NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
15268 | 1xwe | 6001 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI ( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) OR (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) OR (( segid " " and resid 1530 and name HG1 )) OR (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) ) 5.000 5.000 0.000 peak 4733 weight 0.10000E+01 volume -0.69600E+00 ppm1 6.585 ppm2 0.582 ASSI ( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) OR (( segid " " and resid 1611 and name HD2 )) OR (( segid " " and resid 1611 and name HD1 )) )( (( segid " " and resid 1617 and name HB1 )) OR (( segid " " and resid 1611 and name HB2 )) OR (( segid " " and resid 1611 and name HB1 )) ) 3.300 3.300 0.000 peak 4621 weight 0.10000E+01 volume -0.15650E+01 ppm1 6.987 ppm2 2.675 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) OR (( segid " " and resid 1582 and name HZ )) OR (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) OR (( segid " " and resid 1543 and name HD2 )) OR (( segid " " and resid 1543 and name HD1 )) ) 6.000 6.000 0.000 peak 6165 weight 0.10000E+01 volume 0.27000E+00 ppm1 0.616 ppm2 6.878 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) )( (( segid " " and resid 1619 and name HB1 )) OR (( segid " " and resid 1590 and name HB1 )) OR (( segid " " and resid 1588 and name HB2 )) OR (( segid " " and resid 1584 and name HE2 )) OR (( segid " " and resid 1582 and name HB2 )) OR (( segid " " and resid 1577 and name HB1 )) OR (( segid " " and resid 1576 and name HE2 )) OR (( segid " " and resid 1576 and name HE1 )) OR (( segid " " and resid 1543 and name HB2 )) ) 6.000 6.000 0.000 peak 6171 weight 0.10000E+01 volume 0.17900E+00 ppm1 0.613 ppm2 3.018 ASSI ( (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) )( (( segid " " and resid 1618 and name HN )) OR (( segid " " and resid 1540 and name HN )) ) 5.000 5.000 0.000 peak 5294 weight 0.10000E+01 volume 0.99000E+00 ppm1 0.709 ppm2 8.747 ASSI ( (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) )( (( segid " " and resid 1605 and name HB2 )) OR (( segid " " and resid 1604 and name HB2 )) OR (( segid " " and resid 1604 and name HB1 )) OR (( segid " " and resid 1579 and name HG2 )) OR (( segid " " and resid 1571 and name HB1 )) OR (( segid " " and resid 1538 and name HB2 )) OR (( segid " " and resid 1537 and name HB2 )) ) 5.000 5.000 0.000 peak 9194 weight 0.10000E+01 volume 0.70600E+00 ppm1 0.713 ppm2 1.931 ASSI ( (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) )( (( segid " " and resid 1615 and name HD2 )) OR (( segid " " and resid 1541 and name HN )) ) 5.000 5.000 0.000 peak 5050 weight 0.10000E+01 volume 0.11990E+01 ppm1 0.709 ppm2 6.932 ASSI ( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) OR (( segid " " and resid 1573 and name HG23)) OR (( segid " " and resid 1573 and name HG22)) OR (( segid " " and resid 1573 and name HG21)) OR (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) )( (( segid " " and resid 1596 and name HA1 )) OR (( segid " " and resid 1587 and name HB )) OR (( segid " " and resid 1575 and name HA )) OR (( segid " " and resid 1574 and name HA )) OR (( segid " " and resid 1557 and name HA )) ) 5.000 5.000 0.000 peak 7845 weight 0.10000E+01 volume 0.10990E+01 ppm1 0.898 ppm2 4.410 ASSI ( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1573 and name HG23)) OR (( segid " " and resid 1573 and name HG22)) OR (( segid " " and resid 1573 and name HG21)) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 8220 weight 0.10000E+01 volume 0.34400E+00 ppm1 0.884 ppm2 6.781 ASSI ( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1654 and name HA )) OR (( segid " " and resid 1603 and name HA1 )) OR (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1541 and name HA )) OR (( segid " " and resid 1535 and name HA )) ) 5.000 5.000 0.000 peak 5894 weight 0.10000E+01 volume 0.12000E+01 ppm1 1.388 ppm2 4.553 ASSI ( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1569 and name HN )) OR (( segid " " and resid 1567 and name HN )) OR (( segid " " and resid 1544 and name HN )) ) 5.000 5.000 0.000 peak 5878 weight 0.10000E+01 volume 0.91300E+00 ppm1 1.388 ppm2 8.567 ASSI ( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) OR (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) )( (( segid " " and resid 1642 and name HB1 )) OR (( segid " " and resid 1639 and name HB2 )) OR (( segid " " and resid 1631 and name HD2 )) OR (( segid " " and resid 1630 and name HB1 )) ) 5.000 5.000 0.000 peak 6285 weight 0.10000E+01 volume 0.97900E+00 ppm1 0.994 ppm2 3.042 ASSI ( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) OR (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) )( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) OR (( segid " " and resid 1643 and name HB2 )) OR (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) ) 3.300 3.300 0.000 peak 9513 weight 0.10000E+01 volume 0.25410E+01 ppm1 0.995 ppm2 1.437 ASSI ( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) OR (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) )( (( segid " " and resid 1642 and name HB2 )) OR (( segid " " and resid 1630 and name HB2 )) ) 5.000 5.000 0.000 peak 6286 weight 0.10000E+01 volume 0.53300E+00 ppm1 0.994 ppm2 2.748 ASSI ( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) )( (( segid " " and resid 1630 and name HA )) ) 6.000 6.000 0.000 peak 6280 weight 0.10000E+01 volume 0.17500E+00 ppm1 0.987 ppm2 4.806 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1624 and name HN )) OR (( segid " " and resid 1608 and name HN )) ) 6.000 6.000 0.000 peak 7281 weight 0.10000E+01 volume 0.26200E+00 ppm1 0.848 ppm2 8.431 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1624 and name HA )) OR (( segid " " and resid 1607 and name HA )) ) 5.000 5.000 0.000 peak 7009 weight 0.10000E+01 volume 0.98000E+00 ppm1 0.847 ppm2 4.405 ASSI ( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) )( (( segid " " and resid 1604 and name HE2 )) OR (( segid " " and resid 1604 and name HE1 )) ) 5.000 5.000 0.000 peak 7007 weight 0.10000E+01 volume 0.39700E+00 ppm1 0.929 ppm2 3.059 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1619 and name HB1 )) OR (( segid " " and resid 1604 and name HE2 )) OR (( segid " " and resid 1604 and name HE1 )) ) 5.000 5.000 0.000 peak 7010 weight 0.10000E+01 volume 0.46900E+00 ppm1 0.847 ppm2 3.028 ASSI ( (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) OR (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1580 and name HG11)) )( (( segid " " and resid 1651 and name HG2 )) OR (( segid " " and resid 1620 and name HG1 )) OR (( segid " " and resid 1579 and name HG1 )) OR (( segid " " and resid 1545 and name HB )) OR (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) ) 5.000 5.000 0.000 peak 6192 weight 0.10000E+01 volume 0.90600E+00 ppm1 0.931 ppm2 2.276 ASSI ( (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) OR (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) )( (( segid " " and resid 1651 and name HG1 )) OR (( segid " " and resid 1605 and name HG2 )) ) 5.000 5.000 0.000 peak 6191 weight 0.10000E+01 volume 0.80500E+00 ppm1 0.931 ppm2 2.375 ASSI ( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1580 and name HG11)) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1541 and name HE1 )) ) 5.000 5.000 0.000 peak 6135 weight 0.10000E+01 volume 0.41000E+00 ppm1 0.943 ppm2 7.175 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1620 and name HD1 )) OR (( segid " " and resid 1538 and name HA )) ) 5.000 5.000 0.000 peak 7282 weight 0.10000E+01 volume 0.51900E+00 ppm1 0.855 ppm2 4.108 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1625 and name HB )) OR (( segid " " and resid 1623 and name HB1 )) OR (( segid " " and resid 1623 and name HA )) OR (( segid " " and resid 1620 and name HD2 )) OR (( segid " " and resid 1606 and name HA )) OR (( segid " " and resid 1605 and name HA )) ) 5.000 5.000 0.000 peak 7284 weight 0.10000E+01 volume 0.53900E+00 ppm1 0.855 ppm2 4.008 ASSI ( (( segid " " and resid 1585 and name HG2 )) OR (( segid " " and resid 1531 and name HG1 )) )( (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) OR (( segid " " and resid 1531 and name HE1 )) ) 5.000 5.000 0.000 peak 9389 weight 0.10000E+01 volume 0.45200E+00 ppm1 1.489 ppm2 2.966 ASSI ( (( segid " " and resid 1655 and name HG )) OR (( segid " " and resid 1631 and name HG2 )) )( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) OR (( segid " " and resid 1642 and name HE2 )) OR (( segid " " and resid 1642 and name HE1 )) ) 5.000 5.000 0.000 peak 6131 weight 0.10000E+01 volume 0.33400E+00 ppm1 1.827 ppm2 7.326 ASSI ( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) OR (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) )( (( segid " " and resid 1531 and name HE2 )) OR (( segid " " and resid 1530 and name HA )) ) 5.000 5.000 0.000 peak 6001 weight 0.10000E+01 volume 0.10860E+01 ppm1 1.173 ppm2 2.722 ASSI ( (( segid " " and resid 1598 and name HB2 )) )( (( segid " " and resid 1598 and name HG1 )) OR (( segid " " and resid 1598 and name HB1 )) ) 2.700 2.700 0.000 peak 7606 weight 0.10000E+01 volume 0.33030E+01 ppm1 1.768 ppm2 2.573 ASSI ( (( segid " " and resid 1632 and name HB1 )) OR (( segid " " and resid 1537 and name HB2 )) )( (( segid " " and resid 1632 and name HA )) OR (( segid " " and resid 1537 and name HA )) ) 3.300 3.300 0.000 peak 5274 weight 0.10000E+01 volume 0.22740E+01 ppm1 1.895 ppm2 4.257 ASSI ( (( segid " " and resid 1616 and name HB1 )) )( (( segid " " and resid 1610 and name HN )) ) 5.000 5.000 0.000 peak 5369 weight 0.10000E+01 volume 0.12500E+01 ppm1 1.784 ppm2 8.511 ASSI ( (( segid " " and resid 1651 and name HG2 )) OR (( segid " " and resid 1571 and name HG1 )) OR (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) )( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) OR (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) OR (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) ) 5.000 5.000 0.000 peak 6190 weight 0.10000E+01 volume 0.14880E+01 ppm1 2.282 ppm2 0.914 ASSI ( (( segid " " and resid 1627 and name HB )) )( (( segid " " and resid 1517 and name HA )) ) 5.000 5.000 0.000 peak 6909 weight 0.10000E+01 volume 0.95200E+00 ppm1 1.509 ppm2 4.432 ASSI ( (( segid " " and resid 1582 and name HB2 )) OR (( segid " " and resid 1556 and name HB1 )) )( (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 5.000 5.000 0.000 peak 4577 weight 0.10000E+01 volume 0.10580E+01 ppm1 3.012 ppm2 7.175 ASSI ( (( segid " " and resid 1599 and name HB1 )) OR (( segid " " and resid 1597 and name HD1 )) )( (( segid " " and resid 1599 and name HB2 )) OR (( segid " " and resid 1597 and name HB1 )) ) 3.300 3.300 0.000 peak 4596 weight 0.10000E+01 volume 0.23000E+01 ppm1 2.872 ppm2 2.217 ASSI ( (( segid " " and resid 1540 and name HA )) )( (( segid " " and resid 1541 and name HN )) ) 5.000 5.000 0.000 peak 9131 weight 0.10000E+01 volume -0.45100E+00 ppm1 4.386 ppm2 6.929 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) )( (( segid " " and resid 1654 and name HA )) OR (( segid " " and resid 1629 and name HA )) OR (( segid " " and resid 1626 and name HA )) OR (( segid " " and resid 1625 and name HA )) OR (( segid " " and resid 1603 and name HA1 )) OR (( segid " " and resid 1578 and name HA )) OR (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1565 and name HA )) OR (( segid " " and resid 1541 and name HA )) OR (( segid " " and resid 1535 and name HA )) ) 5.000 5.000 0.000 peak 6155 weight 0.10000E+01 volume 0.85800E+00 ppm1 0.612 ppm2 4.574 ASSI ( (( segid " " and resid 1607 and name HA )) OR (( segid " " and resid 1575 and name HA )) OR (( segid " " and resid 1522 and name HA )) )( (( segid " " and resid 1608 and name HG2 )) OR (( segid " " and resid 1608 and name HB2 )) OR (( segid " " and resid 1608 and name HB1 )) OR (( segid " " and resid 1576 and name HD1 )) OR (( segid " " and resid 1575 and name HB2 )) OR (( segid " " and resid 1523 and name HB2 )) ) 2.700 2.700 0.000 peak 8165 weight 0.10000E+01 volume -0.30860E+01 ppm1 4.434 ppm2 1.731 ASSI ( (( segid " " and resid 1575 and name HA )) OR (( segid " " and resid 1522 and name HA )) )( (( segid " " and resid 1576 and name HN )) OR (( segid " " and resid 1524 and name HN )) ) 3.300 3.300 0.000 peak 8167 weight 0.10000E+01 volume -0.29750E+01 ppm1 4.437 ppm2 8.906 ASSI ( (( segid " " and resid 1624 and name HA )) OR (( segid " " and resid 1517 and name HA )) )( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) OR (( segid " " and resid 1593 and name HG )) OR (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) ) 5.000 5.000 0.000 peak 9651 weight 0.10000E+01 volume -0.83700E+00 ppm1 4.437 ppm2 0.525 ASSI ( (( segid " " and resid 1579 and name HA )) )( (( segid " " and resid 1579 and name HB2 )) OR (( segid " " and resid 1579 and name HB1 )) ) 3.300 3.300 0.000 peak 8074 weight 0.10000E+01 volume -0.28260E+01 ppm1 5.290 ppm2 1.927 ASSI ( (( segid " " and resid 1624 and name HA )) OR (( segid " " and resid 1517 and name HA )) )( (( segid " " and resid 1624 and name HN )) OR (( segid " " and resid 1517 and name HN )) ) 5.000 5.000 0.000 peak 9650 weight 0.10000E+01 volume -0.12990E+01 ppm1 4.422 ppm2 8.411 ASSI ( (( segid " " and resid 1579 and name HA )) OR (( segid " " and resid 1560 and name HA )) )( (( segid " " and resid 1580 and name HN )) OR (( segid " " and resid 1561 and name HN )) ) 2.700 2.700 0.000 peak 5522 weight 0.10000E+01 volume -0.41230E+01 ppm1 5.287 ppm2 9.351 ASSI ( (( segid " " and resid 1559 and name HA )) OR (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1599 and name HB1 )) OR (( segid " " and resid 1559 and name HB2 )) OR (( segid " " and resid 1547 and name HB )) ) 5.000 5.000 0.000 peak 5191 weight 0.10000E+01 volume -0.11420E+01 ppm1 5.346 ppm2 2.873 ASSI ( (( segid " " and resid 1559 and name HA )) OR (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) OR (( segid " " and resid 1564 and name HB1 )) OR (( segid " " and resid 1558 and name HG1 )) OR (( segid " " and resid 1550 and name HG12)) OR (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) OR (( segid " " and resid 1547 and name HG12)) ) 5.000 5.000 0.000 peak 8978 weight 0.10000E+01 volume -0.57500E+00 ppm1 5.347 ppm2 1.285 ASSI ( (( segid " " and resid 1564 and name HA )) OR (( segid " " and resid 1554 and name HA )) )( (( segid " " and resid 1564 and name HN )) OR (( segid " " and resid 1554 and name HN )) ) 5.000 5.000 0.000 peak 8427 weight 0.10000E+01 volume -0.75600E+00 ppm1 4.290 ppm2 8.718 ASSI ( (( segid " " and resid 1605 and name HA )) )( (( segid " " and resid 1604 and name HG2 )) OR (( segid " " and resid 1604 and name HG1 )) OR (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 5.000 5.000 0.000 peak 7318 weight 0.10000E+01 volume -0.14920E+01 ppm1 3.990 ppm2 1.633 ASSI ( (( segid " " and resid 1652 and name HA )) )( (( segid " " and resid 1655 and name HN )) OR (( segid " " and resid 1650 and name HN )) ) 5.000 5.000 0.000 peak 8314 weight 0.10000E+01 volume -0.51600E+00 ppm1 4.326 ppm2 8.215 ASSI ( (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) )( (( segid " " and resid 1641 and name HN )) ) 3.300 3.300 0.000 peak 8317 weight 0.10000E+01 volume 0.22030E+01 ppm1 1.448 ppm2 8.464 ASSI ( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) )( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) OR (( segid " " and resid 1538 and name HB1 )) OR (( segid " " and resid 1536 and name HG1 )) OR (( segid " " and resid 1536 and name HB1 )) ) 3.300 3.300 0.000 peak 9188 weight 0.10000E+01 volume 0.21740E+01 ppm1 0.710 ppm2 2.077 ASSI ( (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) )( (( segid " " and resid 1620 and name HA )) OR (( segid " " and resid 1602 and name HA )) ) 5.000 5.000 0.000 peak 9191 weight 0.10000E+01 volume 0.35400E+00 ppm1 0.707 ppm2 4.997 ASSI ( (( segid " " and resid 1643 and name HA )) )( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1643 and name HB2 )) ) 5.000 5.000 0.000 peak 5236 weight 0.10000E+01 volume -0.10550E+01 ppm1 3.496 ppm2 1.434 ASSI ( (( segid " " and resid 1571 and name HA )) OR (( segid " " and resid 1538 and name HA )) )( (( segid " " and resid 1571 and name HG1 )) OR (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) ) 3.300 3.300 0.000 peak 9212 weight 0.10000E+01 volume -0.26930E+01 ppm1 4.062 ppm2 2.258 ASSI ( (( segid " " and resid 1528 and name HA )) )( (( segid " " and resid 1532 and name HN )) OR (( segid " " and resid 1528 and name HN )) ) 5.000 5.000 0.000 peak 6357 weight 0.10000E+01 volume -0.12280E+01 ppm1 3.985 ppm2 8.478 ASSI ( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) OR (( segid " " and resid 1573 and name HG23)) OR (( segid " " and resid 1573 and name HG22)) OR (( segid " " and resid 1573 and name HG21)) OR (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) )( (( segid " " and resid 1575 and name HG2 )) OR (( segid " " and resid 1575 and name HG1 )) OR (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) OR (( segid " " and resid 1553 and name HB2 )) OR (( segid " " and resid 1553 and name HB1 )) OR (( segid " " and resid 1547 and name HG11)) OR (( segid " " and resid 1520 and name HG2 )) ) 5.000 5.000 0.000 peak 8222 weight 0.10000E+01 volume 0.10220E+01 ppm1 0.891 ppm2 2.159 ASSI ( (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) OR (( segid " " and resid 1573 and name HG23)) OR (( segid " " and resid 1573 and name HG22)) OR (( segid " " and resid 1573 and name HG21)) )( (( segid " " and resid 1586 and name HA )) OR (( segid " " and resid 1573 and name HA )) ) 3.300 3.300 0.000 peak 8826 weight 0.10000E+01 volume 0.22340E+01 ppm1 0.899 ppm2 3.771 ASSI ( (( segid " " and resid 1640 and name HA )) )( (( segid " " and resid 1640 and name HG1 )) ) 5.000 5.000 0.000 peak 6366 weight 0.10000E+01 volume -0.78700E+00 ppm1 3.969 ppm2 2.550 ASSI ( (( segid " " and resid 1640 and name HA )) )( (( segid " " and resid 1640 and name HG2 )) ) 5.000 5.000 0.000 peak 6367 weight 0.10000E+01 volume -0.55500E+00 ppm1 3.962 ppm2 2.390 ASSI ( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) OR (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) )( (( segid " " and resid 1629 and name HB2 )) OR (( segid " " and resid 1588 and name HB2 )) OR (( segid " " and resid 1584 and name HE2 )) OR (( segid " " and resid 1556 and name HB1 )) OR (( segid " " and resid 1554 and name HB2 )) OR (( segid " " and resid 1554 and name HB1 )) ) 5.000 5.000 0.000 peak 8827 weight 0.10000E+01 volume 0.65800E+00 ppm1 0.899 ppm2 2.967 ASSI ( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) )( (( segid " " and resid 1581 and name HA )) OR (( segid " " and resid 1559 and name HA )) ) 3.300 3.300 0.000 peak 8032 weight 0.10000E+01 volume 0.18090E+01 ppm1 1.089 ppm2 5.365 ASSI ( (( segid " " and resid 1587 and name HA )) OR (( segid " " and resid 1555 and name HA )) )( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) OR (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) ) 3.300 3.300 0.000 peak 7834 weight 0.10000E+01 volume -0.27640E+01 ppm1 4.098 ppm2 0.875 ASSI ( (( segid " " and resid 1555 and name HA )) )( (( segid " " and resid 1586 and name HB )) ) 5.000 5.000 0.000 peak 7832 weight 0.10000E+01 volume -0.45100E+00 ppm1 4.094 ppm2 1.832 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1620 and name HG1 )) OR (( segid " " and resid 1620 and name HB1 )) OR (( segid " " and resid 1539 and name HB )) OR (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) ) 5.000 5.000 0.000 peak 7285 weight 0.10000E+01 volume 0.86500E+00 ppm1 0.852 ppm2 2.237 ASSI ( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1580 and name HG11)) )( (( segid " " and resid 1620 and name HG2 )) OR (( segid " " and resid 1604 and name HB2 )) OR (( segid " " and resid 1604 and name HB1 )) OR (( segid " " and resid 1579 and name HG2 )) OR (( segid " " and resid 1538 and name HB2 )) OR (( segid " " and resid 1538 and name HB1 )) ) 5.000 5.000 0.000 peak 7008 weight 0.10000E+01 volume 0.85500E+00 ppm1 0.931 ppm2 1.985 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1620 and name HG2 )) OR (( segid " " and resid 1605 and name HB2 )) OR (( segid " " and resid 1604 and name HB2 )) OR (( segid " " and resid 1604 and name HB1 )) OR (( segid " " and resid 1538 and name HB2 )) ) 5.000 5.000 0.000 peak 7286 weight 0.10000E+01 volume 0.14290E+01 ppm1 0.851 ppm2 1.976 ASSI ( (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) OR (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1580 and name HG11)) )( (( segid " " and resid 1655 and name HN )) OR (( segid " " and resid 1605 and name HN )) OR (( segid " " and resid 1579 and name HN )) ) 6.000 6.000 0.000 peak 5205 weight 0.10000E+01 volume 0.24100E+00 ppm1 0.930 ppm2 8.262 ASSI ( (( segid " " and resid 1580 and name HG12)) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) )( (( segid " " and resid 1580 and name HN )) OR (( segid " " and resid 1561 and name HN )) OR (( segid " " and resid 1545 and name HN )) ) 5.000 5.000 0.000 peak 6294 weight 0.10000E+01 volume 0.80200E+00 ppm1 0.790 ppm2 9.354 ASSI ( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) )( (( segid " " and resid 1631 and name HG1 )) OR (( segid " " and resid 1544 and name HB1 )) ) 5.000 5.000 0.000 peak 6301 weight 0.10000E+01 volume 0.92000E+00 ppm1 0.800 ppm2 2.028 ASSI ( (( segid " " and resid 1537 and name HG1 )) )( (( segid " " and resid 1536 and name HA )) ) 5.000 5.000 0.000 peak 9254 weight 0.10000E+01 volume 0.49300E+00 ppm1 2.133 ppm2 4.430 ASSI ( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1624 and name HG )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) OR (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) ) 3.300 3.300 0.000 peak 6277 weight 0.10000E+01 volume 0.15030E+01 ppm1 1.782 ppm2 0.965 ASSI ( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1624 and name HG )) )( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) OR (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) ) 3.300 3.300 0.000 peak 6278 weight 0.10000E+01 volume 0.20270E+01 ppm1 1.780 ppm2 0.818 ASSI ( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) OR (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) OR (( segid " " and resid 1530 and name HG1 )) ) 2.700 2.700 0.000 peak 6005 weight 0.10000E+01 volume 0.45470E+01 ppm1 1.153 ppm2 0.571 ASSI ( (( segid " " and resid 1630 and name HB2 )) )( (( segid " " and resid 1599 and name HA )) ) 6.000 6.000 0.000 peak 4977 weight 0.10000E+01 volume 0.18400E+00 ppm1 2.753 ppm2 5.493 ASSI ( (( segid " " and resid 1592 and name HB1 )) OR (( segid " " and resid 1571 and name HB2 )) )( (( segid " " and resid 1592 and name HN )) OR (( segid " " and resid 1572 and name HN )) ) 5.000 5.000 0.000 peak 8239 weight 0.10000E+01 volume 0.11640E+01 ppm1 1.855 ppm2 7.959 ASSI ( (( segid " " and resid 1575 and name HB1 )) OR (( segid " " and resid 1537 and name HB2 )) OR (( segid " " and resid 1536 and name HB2 )) )( (( segid " " and resid 1576 and name HN )) OR (( segid " " and resid 1538 and name HN )) ) 5.000 5.000 0.000 peak 9211 weight 0.10000E+01 volume 0.90400E+00 ppm1 1.903 ppm2 8.881 ASSI ( (( segid " " and resid 1531 and name HB2 )) )( (( segid " " and resid 1531 and name HG1 )) OR (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) ) 3.300 3.300 0.000 peak 9382 weight 0.10000E+01 volume 0.19400E+01 ppm1 1.924 ppm2 1.485 ASSI ( (( segid " " and resid 1531 and name HB1 )) )( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) ) 5.000 5.000 0.000 peak 9693 weight 0.10000E+01 volume 0.33900E+00 ppm1 2.008 ppm2 6.584 ASSI ( (( segid " " and resid 1628 and name HB2 )) )( (( segid " " and resid 1626 and name HD1 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 5313 weight 0.10000E+01 volume 0.37300E+00 ppm1 1.786 ppm2 6.780 ASSI ( (( segid " " and resid 1648 and name HG1 )) OR (( segid " " and resid 1605 and name HG2 )) OR (( segid " " and resid 1519 and name HG1 )) )( (( segid " " and resid 1648 and name HA )) OR (( segid " " and resid 1606 and name HA )) OR (( segid " " and resid 1605 and name HA )) OR (( segid " " and resid 1519 and name HA )) ) 3.300 3.300 0.000 peak 6216 weight 0.10000E+01 volume 0.22460E+01 ppm1 2.370 ppm2 4.010 ASSI ( (( segid " " and resid 1571 and name HG2 )) OR (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) )( (( segid " " and resid 1554 and name HA )) OR (( segid " " and resid 1552 and name HA )) OR (( segid " " and resid 1537 and name HA )) ) 5.000 5.000 0.000 peak 8818 weight 0.10000E+01 volume 0.61600E+00 ppm1 2.164 ppm2 4.258 ASSI ( (( segid " " and resid 1571 and name HG2 )) OR (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) )( (( segid " " and resid 1568 and name HD2 )) OR (( segid " " and resid 1551 and name HG23)) OR (( segid " " and resid 1551 and name HG22)) OR (( segid " " and resid 1551 and name HG21)) ) 5.000 5.000 0.000 peak 8819 weight 0.10000E+01 volume 0.12880E+01 ppm1 2.158 ppm2 1.187 ASSI ( (( segid " " and resid 1651 and name HG2 )) OR (( segid " " and resid 1571 and name HG1 )) OR (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) )( (( segid " " and resid 1651 and name HA )) OR (( segid " " and resid 1571 and name HA )) OR (( segid " " and resid 1538 and name HA )) ) 3.300 3.300 0.000 peak 9217 weight 0.10000E+01 volume 0.27730E+01 ppm1 2.288 ppm2 4.056 ASSI ( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) )( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) ) 2.700 2.700 0.000 peak 9699 weight 0.10000E+01 volume 0.61600E+01 ppm1 6.805 ppm2 6.977 ASSI ( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) )( (( segid " " and resid 1595 and name HD2 )) OR (( segid " " and resid 1595 and name HD1 )) OR (( segid " " and resid 1595 and name HB1 )) OR (( segid " " and resid 1594 and name HB )) OR (( segid " " and resid 1592 and name HB2 )) OR (( segid " " and resid 1584 and name HG1 )) OR (( segid " " and resid 1557 and name HB )) ) 5.000 5.000 0.000 peak 5104 weight 0.10000E+01 volume 0.11330E+01 ppm1 6.658 ppm2 1.789 ASSI ( (( segid " " and resid 1621 and name HB1 )) )( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) ) 5.000 5.000 0.000 peak 9193 weight 0.10000E+01 volume 0.78300E+00 ppm1 2.069 ppm2 0.694 ASSI ( (( segid " " and resid 1610 and name HE2 )) OR (( segid " " and resid 1610 and name HE1 )) OR (( segid " " and resid 1560 and name HE2 )) OR (( segid " " and resid 1560 and name HE1 )) )( (( segid " " and resid 1610 and name HG2 )) OR (( segid " " and resid 1610 and name HG1 )) OR (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) ) 5.000 5.000 0.000 peak 8621 weight 0.10000E+01 volume 0.11320E+01 ppm1 2.836 ppm2 1.094 ASSI ( (( segid " " and resid 1652 and name HB1 )) OR (( segid " " and resid 1560 and name HE2 )) OR (( segid " " and resid 1560 and name HE1 )) )( (( segid " " and resid 1560 and name HG2 )) OR (( segid " " and resid 1560 and name HG1 )) OR (( segid " " and resid 1531 and name HG2 )) ) 2.700 2.700 0.000 peak 8620 weight 0.10000E+01 volume 0.31240E+01 ppm1 2.835 ppm2 1.385 ASSI ( (( segid " " and resid 1633 and name HB2 )) OR (( segid " " and resid 1633 and name HB1 )) )( (( segid " " and resid 1636 and name HN )) OR (( segid " " and resid 1633 and name HN )) ) 3.300 3.300 0.000 peak 1895 weight 0.10000E+01 volume 0.24050E+01 ppm1 2.834 ppm2 7.621 ASSI ( (( segid " " and resid 1599 and name HB1 )) )( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) OR (( segid " " and resid 1593 and name HG )) ) 5.000 5.000 0.000 peak 4600 weight 0.10000E+01 volume 0.42300E+00 ppm1 2.863 ppm2 0.514 ASSI ( (( segid " " and resid 1559 and name HA )) )( (( segid " " and resid 1582 and name HN )) ) 5.000 5.000 0.000 peak 8622 weight 0.10000E+01 volume -0.89700E+00 ppm1 5.331 ppm2 9.402 ASSI ( (( segid " " and resid 1646 and name HA )) OR (( segid " " and resid 1643 and name HA )) )( (( segid " " and resid 1646 and name HN )) ) 5.000 5.000 0.000 peak 5235 weight 0.10000E+01 volume -0.71100E+00 ppm1 3.496 ppm2 7.028 ASSI ( (( segid " " and resid 1514 and name HB1 )) )( (( segid " " and resid 1588 and name HA )) ) 5.000 5.000 0.000 peak 6313 weight 0.10000E+01 volume 0.60100E+00 ppm1 3.351 ppm2 5.096 ASSI ( (( segid " " and resid 1514 and name HB2 )) )( (( segid " " and resid 1514 and name HA )) ) 5.000 5.000 0.000 peak 6314 weight 0.10000E+01 volume 0.58800E+00 ppm1 2.769 ppm2 5.094 ASSI ( (( segid " " and resid 1516 and name HB1 )) )( (( segid " " and resid 1624 and name HN )) OR (( segid " " and resid 1517 and name HN )) ) 5.000 5.000 0.000 peak 9678 weight 0.10000E+01 volume 0.96300E+00 ppm1 1.933 ppm2 8.417 ASSI ( (( segid " " and resid 1516 and name HB2 )) )( (( segid " " and resid 1624 and name HN )) OR (( segid " " and resid 1517 and name HN )) ) 5.000 5.000 0.000 peak 9680 weight 0.10000E+01 volume 0.14560E+01 ppm1 1.861 ppm2 8.414 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1625 and name HB )) OR (( segid " " and resid 1593 and name HA )) ) 5.000 5.000 0.000 peak 9668 weight 0.10000E+01 volume 0.70400E+00 ppm1 1.954 ppm2 3.958 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) ) 5.000 5.000 0.000 peak 9665 weight 0.10000E+01 volume 0.44600E+00 ppm1 1.952 ppm2 0.873 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1628 and name HA )) OR (( segid " " and resid 1627 and name HA )) ) 6.000 6.000 0.000 peak 9672 weight 0.10000E+01 volume 0.23000E+00 ppm1 1.952 ppm2 4.899 ASSI ( (( segid " " and resid 1518 and name HB1 )) )( (( segid " " and resid 1518 and name HG2 )) ) 5.000 5.000 0.000 peak 9641 weight 0.10000E+01 volume 0.12180E+01 ppm1 2.130 ppm2 1.188 ASSI ( (( segid " " and resid 1519 and name HA )) )( (( segid " " and resid 1522 and name HB2 )) OR (( segid " " and resid 1519 and name HG2 )) ) 5.000 5.000 0.000 peak 9616 weight 0.10000E+01 volume -0.10210E+01 ppm1 4.002 ppm2 2.243 ASSI ( (( segid " " and resid 1519 and name HA )) )( (( segid " " and resid 1520 and name HN )) ) 2.700 2.700 0.000 peak 9614 weight 0.10000E+01 volume -0.30470E+01 ppm1 4.000 ppm2 8.476 ASSI ( (( segid " " and resid 1520 and name HB2 )) OR (( segid " " and resid 1520 and name HB1 )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 5063 weight 0.10000E+01 volume 0.53300E+00 ppm1 1.895 ppm2 6.830 ASSI ( (( segid " " and resid 1520 and name HG2 )) )( (( segid " " and resid 1520 and name HG1 )) ) 2.700 2.700 0.000 peak 9593 weight 0.10000E+01 volume 0.48960E+01 ppm1 2.169 ppm2 2.426 ASSI ( (( segid " " and resid 1520 and name HG1 )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 9604 weight 0.10000E+01 volume 0.33600E+00 ppm1 2.431 ppm2 6.858 ASSI ( (( segid " " and resid 1520 and name HG2 )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 5064 weight 0.10000E+01 volume 0.50700E+00 ppm1 2.172 ppm2 6.829 ASSI ( (( segid " " and resid 1521 and name HD13)) OR (( segid " " and resid 1521 and name HD12)) OR (( segid " " and resid 1521 and name HD11)) )( (( segid " " and resid 1641 and name HA )) OR (( segid " " and resid 1639 and name HA )) ) 5.000 5.000 0.000 peak 9559 weight 0.10000E+01 volume 0.47400E+00 ppm1 0.882 ppm2 4.082 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 5.000 5.000 0.000 peak 9577 weight 0.10000E+01 volume 0.58800E+00 ppm1 0.571 ppm2 6.609 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1642 and name HB2 )) ) 5.000 5.000 0.000 peak 6195 weight 0.10000E+01 volume 0.35300E+00 ppm1 0.569 ppm2 2.748 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1521 and name HA )) ) 5.000 5.000 0.000 peak 9563 weight 0.10000E+01 volume 0.90300E+00 ppm1 0.572 ppm2 1.540 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1521 and name HB1 )) ) 5.000 5.000 0.000 peak 9562 weight 0.10000E+01 volume 0.11280E+01 ppm1 0.569 ppm2 1.634 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) OR (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) OR (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) ) 3.300 3.300 0.000 peak 9567 weight 0.10000E+01 volume 0.17330E+01 ppm1 0.572 ppm2 0.990 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1521 and name HG )) ) 5.000 5.000 0.000 peak 9565 weight 0.10000E+01 volume 0.80900E+00 ppm1 0.569 ppm2 1.236 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1523 and name HD11)) OR (( segid " " and resid 1521 and name HB2 )) ) 5.000 5.000 0.000 peak 9566 weight 0.10000E+01 volume 0.12680E+01 ppm1 0.569 ppm2 1.085 ASSI ( (( segid " " and resid 1521 and name HG )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) ) 5.000 5.000 0.000 peak 9557 weight 0.10000E+01 volume 0.64400E+00 ppm1 1.212 ppm2 6.833 ASSI ( (( segid " " and resid 1522 and name HB1 )) )( (( segid " " and resid 1525 and name HG11)) OR (( segid " " and resid 1518 and name HG1 )) ) 6.000 6.000 0.000 peak 9523 weight 0.10000E+01 volume 0.24100E+00 ppm1 3.205 ppm2 1.534 ASSI ( (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) )( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) OR (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) ) 5.000 5.000 0.000 peak 9512 weight 0.10000E+01 volume 0.12630E+01 ppm1 1.046 ppm2 1.448 ASSI ( (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) )( (( segid " " and resid 1641 and name HA )) ) 5.000 5.000 0.000 peak 9506 weight 0.10000E+01 volume 0.61900E+00 ppm1 1.050 ppm2 4.056 ASSI ( (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) )( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) ) 5.000 5.000 0.000 peak 9514 weight 0.10000E+01 volume 0.51200E+00 ppm1 0.993 ppm2 0.543 ASSI ( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) )( (( segid " " and resid 1522 and name HB2 )) OR (( segid " " and resid 1519 and name HG2 )) ) 5.000 5.000 0.000 peak 9483 weight 0.10000E+01 volume 0.58900E+00 ppm1 1.097 ppm2 2.249 ASSI ( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) )( (( segid " " and resid 1518 and name HB1 )) ) 5.000 5.000 0.000 peak 9482 weight 0.10000E+01 volume 0.55600E+00 ppm1 1.101 ppm2 2.135 ASSI ( (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) )( (( segid " " and resid 1529 and name HB )) OR (( segid " " and resid 1525 and name HA )) ) 3.300 3.300 0.000 peak 9437 weight 0.10000E+01 volume 0.16900E+01 ppm1 1.082 ppm2 4.159 ASSI ( (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) OR (( segid " " and resid 1626 and name HH2 )) OR (( segid " " and resid 1626 and name HZ3 )) ) 5.000 5.000 0.000 peak 5077 weight 0.10000E+01 volume 0.12170E+01 ppm1 1.083 ppm2 6.912 ASSI ( (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) )( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) OR (( segid " " and resid 1525 and name HG11)) ) 5.000 5.000 0.000 peak 9479 weight 0.10000E+01 volume 0.85000E+00 ppm1 1.080 ppm2 1.509 ASSI ( (( segid " " and resid 1526 and name HA )) )( (( segid " " and resid 1527 and name HN )) OR (( segid " " and resid 1526 and name HN )) ) 3.300 3.300 0.000 peak 6343 weight 0.10000E+01 volume -0.19010E+01 ppm1 4.460 ppm2 9.193 ASSI ( (( segid " " and resid 1526 and name HB1 )) )( (( segid " " and resid 1648 and name HB2 )) OR (( segid " " and resid 1528 and name HB1 )) ) 5.000 5.000 0.000 peak 9457 weight 0.10000E+01 volume -0.35000E+00 ppm1 4.396 ppm2 2.078 ASSI ( (( segid " " and resid 1526 and name HB1 )) )( (( segid " " and resid 1527 and name HN )) OR (( segid " " and resid 1526 and name HN )) ) 5.000 5.000 0.000 peak 9459 weight 0.10000E+01 volume -0.92300E+00 ppm1 4.395 ppm2 9.177 ASSI ( (( segid " " and resid 1526 and name HB1 )) )( (( segid " " and resid 1528 and name HN )) ) 5.000 5.000 0.000 peak 6383 weight 0.10000E+01 volume -0.56600E+00 ppm1 4.400 ppm2 8.486 ASSI ( (( segid " " and resid 1526 and name HB2 )) )( (( segid " " and resid 1527 and name HN )) OR (( segid " " and resid 1526 and name HN )) ) 5.000 5.000 0.000 peak 9460 weight 0.10000E+01 volume -0.81100E+00 ppm1 4.055 ppm2 9.163 ASSI ( (( segid " " and resid 1526 and name HB2 )) )( (( segid " " and resid 1526 and name HB1 )) ) 2.700 2.700 0.000 peak 9458 weight 0.10000E+01 volume -0.52400E+01 ppm1 4.053 ppm2 4.405 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1649 and name HB2 )) ) 5.000 5.000 0.000 peak 9448 weight 0.10000E+01 volume 0.48300E+00 ppm1 1.502 ppm2 3.065 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1645 and name HA )) OR (( segid " " and resid 1526 and name HB1 )) ) 5.000 5.000 0.000 peak 9451 weight 0.10000E+01 volume 0.10380E+01 ppm1 1.507 ppm2 4.428 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1649 and name HB1 )) ) 5.000 5.000 0.000 peak 9447 weight 0.10000E+01 volume 0.79800E+00 ppm1 1.507 ppm2 3.213 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 5.000 5.000 0.000 peak 9452 weight 0.10000E+01 volume 0.42400E+00 ppm1 1.506 ppm2 6.878 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1650 and name HN )) OR (( segid " " and resid 1531 and name HN )) OR (( segid " " and resid 1529 and name HN )) ) 5.000 5.000 0.000 peak 6032 weight 0.10000E+01 volume 0.47200E+00 ppm1 1.511 ppm2 8.165 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1648 and name HG2 )) OR (( segid " " and resid 1648 and name HB2 )) OR (( segid " " and resid 1528 and name HB1 )) ) 3.300 3.300 0.000 peak 6211 weight 0.10000E+01 volume 0.28850E+01 ppm1 1.508 ppm2 2.078 ASSI ( (( segid " " and resid 1528 and name HA )) )( (( segid " " and resid 1531 and name HN )) OR (( segid " " and resid 1529 and name HN )) ) 5.000 5.000 0.000 peak 4690 weight 0.10000E+01 volume -0.93400E+00 ppm1 3.985 ppm2 8.168 ASSI ( (( segid " " and resid 1528 and name HG2 )) OR (( segid " " and resid 1528 and name HG1 )) )( (( segid " " and resid 1532 and name HA )) OR (( segid " " and resid 1531 and name HA )) OR (( segid " " and resid 1529 and name HA )) OR (( segid " " and resid 1527 and name HA )) ) 5.000 5.000 0.000 peak 9439 weight 0.10000E+01 volume 0.76200E+00 ppm1 2.224 ppm2 3.811 ASSI ( (( segid " " and resid 1528 and name HG2 )) OR (( segid " " and resid 1528 and name HG1 )) )( (( segid " " and resid 1528 and name HA )) ) 3.300 3.300 0.000 peak 9216 weight 0.10000E+01 volume 0.24220E+01 ppm1 2.229 ppm2 4.001 ASSI ( (( segid " " and resid 1528 and name HG2 )) OR (( segid " " and resid 1528 and name HG1 )) )( (( segid " " and resid 1528 and name HN )) ) 5.000 5.000 0.000 peak 5364 weight 0.10000E+01 volume 0.94700E+00 ppm1 2.224 ppm2 8.466 ASSI ( (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) )( (( segid " " and resid 1531 and name HN )) OR (( segid " " and resid 1529 and name HN )) ) 5.000 5.000 0.000 peak 5221 weight 0.10000E+01 volume 0.43900E+00 ppm1 1.205 ppm2 8.166 ASSI ( (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) )( (( segid " " and resid 1626 and name HH2 )) ) 5.000 5.000 0.000 peak 5052 weight 0.10000E+01 volume 0.12010E+01 ppm1 1.209 ppm2 6.901 ASSI ( (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) )( (( segid " " and resid 1626 and name HZ2 )) OR (( segid " " and resid 1530 and name HN )) ) 5.000 5.000 0.000 peak 5987 weight 0.10000E+01 volume 0.10080E+01 ppm1 1.178 ppm2 7.176 ASSI ( (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) OR (( segid " " and resid 1626 and name HH2 )) ) 5.000 5.000 0.000 peak 6007 weight 0.10000E+01 volume 0.36200E+00 ppm1 1.180 ppm2 6.884 ASSI ( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) OR (( segid " " and resid 1626 and name HH2 )) ) 6.000 6.000 0.000 peak 6015 weight 0.10000E+01 volume 0.21100E+00 ppm1 1.984 ppm2 6.881 ASSI ( (( segid " " and resid 1531 and name HA )) )( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) OR (( segid " " and resid 1531 and name HG2 )) ) 3.300 3.300 0.000 peak 9369 weight 0.10000E+01 volume -0.15040E+01 ppm1 3.847 ppm2 1.349 ASSI ( (( segid " " and resid 1531 and name HB1 )) )( (( segid " " and resid 1531 and name HG1 )) ) 5.000 5.000 0.000 peak 9381 weight 0.10000E+01 volume 0.14550E+01 ppm1 1.994 ppm2 1.484 ASSI ( (( segid " " and resid 1531 and name HB2 )) )( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) OR (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) OR (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) OR (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) ) 5.000 5.000 0.000 peak 9385 weight 0.10000E+01 volume 0.51100E+00 ppm1 1.928 ppm2 1.188 ASSI ( (( segid " " and resid 1531 and name HE1 )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 5.000 5.000 0.000 peak 9407 weight 0.10000E+01 volume 0.44800E+00 ppm1 2.937 ppm2 0.595 ASSI ( (( segid " " and resid 1532 and name HA )) )( (( segid " " and resid 1535 and name HB2 )) OR (( segid " " and resid 1531 and name HE2 )) OR (( segid " " and resid 1530 and name HA )) ) 5.000 5.000 0.000 peak 9349 weight 0.10000E+01 volume -0.57600E+00 ppm1 3.810 ppm2 2.711 ASSI ( (( segid " " and resid 1532 and name HG1 )) )( (( segid " " and resid 1532 and name HA )) OR (( segid " " and resid 1529 and name HA )) ) 5.000 5.000 0.000 peak 9360 weight 0.10000E+01 volume 0.77300E+00 ppm1 2.520 ppm2 3.809 ASSI ( (( segid " " and resid 1532 and name HG2 )) )( (( segid " " and resid 1532 and name HB2 )) OR (( segid " " and resid 1531 and name HB1 )) ) 3.300 3.300 0.000 peak 9362 weight 0.10000E+01 volume 0.20900E+01 ppm1 2.341 ppm2 1.980 ASSI ( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) )( (( segid " " and resid 1626 and name HH2 )) OR (( segid " " and resid 1626 and name HZ3 )) OR (( segid " " and resid 1541 and name HN )) ) 5.000 5.000 0.000 peak 9344 weight 0.10000E+01 volume 0.50300E+00 ppm1 1.139 ppm2 6.934 ASSI ( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) )( (( segid " " and resid 1536 and name HE2 )) OR (( segid " " and resid 1536 and name HE1 )) ) 5.000 5.000 0.000 peak 9340 weight 0.10000E+01 volume 0.72600E+00 ppm1 1.137 ppm2 3.000 ASSI ( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) )( (( segid " " and resid 1626 and name HZ2 )) OR (( segid " " and resid 1533 and name HN )) ) 5.000 5.000 0.000 peak 9314 weight 0.10000E+01 volume 0.49300E+00 ppm1 1.133 ppm2 7.225 ASSI ( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) )( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) ) 5.000 5.000 0.000 peak 4991 weight 0.10000E+01 volume 0.94600E+00 ppm1 1.134 ppm2 3.215 ASSI ( (( segid " " and resid 1535 and name HB2 )) )( (( segid " " and resid 1535 and name HB1 )) ) 2.700 2.700 0.000 peak 6141 weight 0.10000E+01 volume 0.36510E+01 ppm1 2.712 ppm2 3.335 ASSI ( (( segid " " and resid 1537 and name HD2 )) )( (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) OR (( segid " " and resid 1537 and name HB1 )) ) 5.000 5.000 0.000 peak 9264 weight 0.10000E+01 volume -0.47100E+00 ppm1 3.827 ppm2 2.326 ASSI ( (( segid " " and resid 1537 and name HG2 )) )( (( segid " " and resid 1536 and name HA )) ) 5.000 5.000 0.000 peak 9253 weight 0.10000E+01 volume 0.31200E+00 ppm1 2.053 ppm2 4.410 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1625 and name HA )) OR (( segid " " and resid 1603 and name HA1 )) ) 5.000 5.000 0.000 peak 9197 weight 0.10000E+01 volume 0.83500E+00 ppm1 0.510 ppm2 4.524 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) ) 5.000 5.000 0.000 peak 9207 weight 0.10000E+01 volume 0.93700E+00 ppm1 0.511 ppm2 0.940 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1603 and name HA2 )) OR (( segid " " and resid 1539 and name HA )) ) 3.300 3.300 0.000 peak 9198 weight 0.10000E+01 volume 0.20760E+01 ppm1 0.511 ppm2 3.911 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1536 and name HE2 )) OR (( segid " " and resid 1536 and name HE1 )) ) 6.000 6.000 0.000 peak 9199 weight 0.10000E+01 volume 0.17700E+00 ppm1 0.507 ppm2 2.975 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1624 and name HG )) OR (( segid " " and resid 1624 and name HB2 )) OR (( segid " " and resid 1624 and name HB1 )) OR (( segid " " and resid 1568 and name HB1 )) ) 5.000 5.000 0.000 peak 9202 weight 0.10000E+01 volume 0.12030E+01 ppm1 0.508 ppm2 1.740 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1605 and name HG2 )) OR (( segid " " and resid 1602 and name HG1 )) ) 5.000 5.000 0.000 peak 9145 weight 0.10000E+01 volume 0.50100E+00 ppm1 1.627 ppm2 2.412 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1605 and name HB2 )) OR (( segid " " and resid 1604 and name HB2 )) OR (( segid " " and resid 1604 and name HB1 )) OR (( segid " " and resid 1571 and name HB1 )) ) 5.000 5.000 0.000 peak 9141 weight 0.10000E+01 volume 0.10070E+01 ppm1 1.624 ppm2 1.925 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1605 and name HG1 )) OR (( segid " " and resid 1541 and name HB2 )) OR (( segid " " and resid 1541 and name HB1 )) ) 5.000 5.000 0.000 peak 9146 weight 0.10000E+01 volume 0.66900E+00 ppm1 1.624 ppm2 2.574 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1570 and name HA2 )) OR (( segid " " and resid 1534 and name HA )) ) 3.300 3.300 0.000 peak 9148 weight 0.10000E+01 volume 0.17650E+01 ppm1 1.623 ppm2 3.859 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1625 and name HA )) OR (( segid " " and resid 1603 and name HA1 )) OR (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1541 and name HA )) OR (( segid " " and resid 1535 and name HA )) ) 5.000 5.000 0.000 peak 5034 weight 0.10000E+01 volume 0.52500E+00 ppm1 1.627 ppm2 4.550 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1604 and name HA )) OR (( segid " " and resid 1570 and name HA1 )) ) 5.000 5.000 0.000 peak 5032 weight 0.10000E+01 volume 0.13130E+01 ppm1 1.624 ppm2 4.654 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1605 and name HB1 )) ) 3.300 3.300 0.000 peak 9142 weight 0.10000E+01 volume 0.21530E+01 ppm1 1.624 ppm2 2.028 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1605 and name HA )) ) 3.300 3.300 0.000 peak 9149 weight 0.10000E+01 volume 0.20040E+01 ppm1 1.624 ppm2 3.978 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1605 and name HG2 )) OR (( segid " " and resid 1571 and name HG1 )) OR (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) ) 5.000 5.000 0.000 peak 9144 weight 0.10000E+01 volume 0.58400E+00 ppm1 1.622 ppm2 2.326 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1571 and name HG2 )) ) 5.000 5.000 0.000 peak 9143 weight 0.10000E+01 volume 0.38100E+00 ppm1 1.620 ppm2 2.164 ASSI ( (( segid " " and resid 1541 and name HA )) )( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) OR (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) OR (( segid " " and resid 1534 and name HB1 )) ) 5.000 5.000 0.000 peak 9126 weight 0.10000E+01 volume -0.40700E+00 ppm1 4.543 ppm2 1.384 ASSI ( (( segid " " and resid 1541 and name HD1 )) )( (( segid " " and resid 1619 and name HE2 )) OR (( segid " " and resid 1619 and name HE1 )) OR (( segid " " and resid 1541 and name HE2 )) ) 5.000 5.000 0.000 peak 5005 weight 0.10000E+01 volume -0.38500E+00 ppm1 6.741 ppm2 6.184 ASSI ( (( segid " " and resid 1541 and name HD2 )) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1541 and name HE1 )) ) 5.000 5.000 0.000 peak 9711 weight 0.10000E+01 volume -0.33000E+00 ppm1 5.449 ppm2 7.127 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1653 and name HA )) OR (( segid " " and resid 1570 and name HA2 )) OR (( segid " " and resid 1534 and name HA )) OR (( segid " " and resid 1531 and name HA )) ) 5.000 5.000 0.000 peak 8275 weight 0.10000E+01 volume 0.43700E+00 ppm1 1.394 ppm2 3.861 ASSI ( (( segid " " and resid 1543 and name HA )) )( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) OR (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 4525 weight 0.10000E+01 volume -0.32700E+00 ppm1 5.729 ppm2 0.146 ASSI ( (( segid " " and resid 1544 and name HA )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1544 and name HD1 )) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) ) 5.000 5.000 0.000 peak 9059 weight 0.10000E+01 volume -0.76100E+00 ppm1 5.652 ppm2 0.744 ASSI ( (( segid " " and resid 1544 and name HA )) )( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) OR (( segid " " and resid 1563 and name HG )) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 9057 weight 0.10000E+01 volume -0.37100E+00 ppm1 5.646 ppm2 0.896 ASSI ( (( segid " " and resid 1544 and name HB1 )) )( (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 9071 weight 0.10000E+01 volume 0.39800E+00 ppm1 2.030 ppm2 6.682 ASSI ( (( segid " " and resid 1544 and name HB1 )) )( (( segid " " and resid 1544 and name HD1 )) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) ) 5.000 5.000 0.000 peak 9064 weight 0.10000E+01 volume 0.11900E+01 ppm1 2.022 ppm2 0.742 ASSI ( (( segid " " and resid 1544 and name HB2 )) )( (( segid " " and resid 1544 and name HD1 )) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) ) 5.000 5.000 0.000 peak 9062 weight 0.10000E+01 volume 0.91500E+00 ppm1 1.412 ppm2 0.743 ASSI ( (( segid " " and resid 1544 and name HD1 )) )( (( segid " " and resid 1544 and name HB1 )) ) 5.000 5.000 0.000 peak 6016 weight 0.10000E+01 volume 0.63100E+00 ppm1 0.755 ppm2 2.036 ASSI ( (( segid " " and resid 1544 and name HD2 )) )( (( segid " " and resid 1544 and name HB1 )) ) 5.000 5.000 0.000 peak 9092 weight 0.10000E+01 volume 0.41500E+00 ppm1 0.354 ppm2 2.036 ASSI ( (( segid " " and resid 1544 and name HD1 )) )( (( segid " " and resid 1544 and name HE1 )) OR (( segid " " and resid 1544 and name HB2 )) ) 5.000 5.000 0.000 peak 9086 weight 0.10000E+01 volume 0.85700E+00 ppm1 0.752 ppm2 1.386 ASSI ( (( segid " " and resid 1544 and name HD2 )) )( (( segid " " and resid 1544 and name HD1 )) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) ) 2.700 2.700 0.000 peak 9082 weight 0.10000E+01 volume 0.32280E+01 ppm1 0.359 ppm2 0.742 ASSI ( (( segid " " and resid 1544 and name HD2 )) )( (( segid " " and resid 1544 and name HE1 )) OR (( segid " " and resid 1544 and name HB2 )) ) 5.000 5.000 0.000 peak 9091 weight 0.10000E+01 volume 0.61000E+00 ppm1 0.353 ppm2 1.387 ASSI ( (( segid " " and resid 1544 and name HE2 )) )( (( segid " " and resid 1544 and name HD1 )) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) ) 5.000 5.000 0.000 peak 9097 weight 0.10000E+01 volume 0.11320E+01 ppm1 1.099 ppm2 0.741 ASSI ( (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) )( (( segid " " and resid 1600 and name HA )) OR (( segid " " and resid 1544 and name HA )) ) 5.000 5.000 0.000 peak 9078 weight 0.10000E+01 volume 0.51000E+00 ppm1 0.784 ppm2 5.638 ASSI ( (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) )( (( segid " " and resid 1649 and name HZ )) OR (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 6.000 6.000 0.000 peak 9076 weight 0.10000E+01 volume 0.24400E+00 ppm1 0.787 ppm2 6.679 ASSI ( (( segid " " and resid 1545 and name HA )) )( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) OR (( segid " " and resid 1544 and name HE1 )) OR (( segid " " and resid 1544 and name HB2 )) ) 5.000 5.000 0.000 peak 9011 weight 0.10000E+01 volume -0.65500E+00 ppm1 5.694 ppm2 1.389 ASSI ( (( segid " " and resid 1545 and name HA )) )( (( segid " " and resid 1564 and name HG )) ) 5.000 5.000 0.000 peak 9010 weight 0.10000E+01 volume -0.68700E+00 ppm1 5.691 ppm2 1.531 ASSI ( (( segid " " and resid 1545 and name HB )) )( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 5.000 5.000 0.000 peak 9018 weight 0.10000E+01 volume 0.30100E+00 ppm1 2.262 ppm2 0.597 ASSI ( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) )( (( segid " " and resid 1546 and name HN )) OR (( segid " " and resid 1544 and name HN )) ) 5.000 5.000 0.000 peak 5880 weight 0.10000E+01 volume 0.61400E+00 ppm1 1.124 ppm2 8.511 ASSI ( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) )( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) OR (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 3.300 3.300 0.000 peak 9027 weight 0.10000E+01 volume 0.21870E+01 ppm1 1.126 ppm2 0.144 ASSI ( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) )( (( segid " " and resid 1545 and name HB )) ) 3.300 3.300 0.000 peak 9031 weight 0.10000E+01 volume 0.15620E+01 ppm1 1.125 ppm2 2.253 ASSI ( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) )( (( segid " " and resid 1563 and name HA )) ) 3.300 3.300 0.000 peak 9037 weight 0.10000E+01 volume 0.20890E+01 ppm1 1.128 ppm2 4.192 ASSI ( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) )( (( segid " " and resid 1630 and name HZ3 )) OR (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1541 and name HE1 )) ) 5.000 5.000 0.000 peak 5093 weight 0.10000E+01 volume 0.96800E+00 ppm1 1.125 ppm2 7.162 ASSI ( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) )( (( segid " " and resid 1599 and name HB2 )) OR (( segid " " and resid 1545 and name HB )) ) 3.300 3.300 0.000 peak 7585 weight 0.10000E+01 volume 0.17300E+01 ppm1 0.911 ppm2 2.252 ASSI ( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) )( (( segid " " and resid 1600 and name HA )) OR (( segid " " and resid 1545 and name HA )) OR (( segid " " and resid 1544 and name HA )) ) 5.000 5.000 0.000 peak 9048 weight 0.10000E+01 volume 0.10540E+01 ppm1 0.911 ppm2 5.668 ASSI ( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 9049 weight 0.10000E+01 volume 0.47800E+00 ppm1 0.915 ppm2 6.735 ASSI ( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) )( (( segid " " and resid 1630 and name HZ3 )) OR (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 5.000 5.000 0.000 peak 5094 weight 0.10000E+01 volume 0.63300E+00 ppm1 0.911 ppm2 7.165 ASSI ( (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1547 and name HN )) ) 3.300 3.300 0.000 peak 5125 weight 0.10000E+01 volume -0.22550E+01 ppm1 5.336 ppm2 8.464 ASSI ( (( segid " " and resid 1546 and name HB1 )) )( (( segid " " and resid 1601 and name HG12)) OR (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) OR (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) ) 5.000 5.000 0.000 peak 8986 weight 0.10000E+01 volume -0.48800E+00 ppm1 3.761 ppm2 1.044 ASSI ( (( segid " " and resid 1546 and name HB1 )) )( (( segid " " and resid 1598 and name HG2 )) ) 5.000 5.000 0.000 peak 8993 weight 0.10000E+01 volume -0.10000E+01 ppm1 3.761 ppm2 1.980 ASSI ( (( segid " " and resid 1547 and name HB )) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 8901 weight 0.10000E+01 volume 0.32100E+00 ppm1 2.847 ppm2 6.735 ASSI ( (( segid " " and resid 1547 and name HB )) )( (( segid " " and resid 1547 and name HG11)) ) 5.000 5.000 0.000 peak 8897 weight 0.10000E+01 volume 0.59400E+00 ppm1 2.848 ppm2 2.177 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) ) 3.300 3.300 0.000 peak 8943 weight 0.10000E+01 volume 0.26070E+01 ppm1 0.587 ppm2 1.385 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1582 and name HZ )) OR (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 5.000 5.000 0.000 peak 8950 weight 0.10000E+01 volume 0.66800E+00 ppm1 0.586 ppm2 6.879 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 5.000 5.000 0.000 peak 8951 weight 0.10000E+01 volume 0.40700E+00 ppm1 0.588 ppm2 7.167 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1559 and name HB1 )) ) 5.000 5.000 0.000 peak 8946 weight 0.10000E+01 volume 0.38400E+00 ppm1 0.588 ppm2 3.087 ASSI ( (( segid " " and resid 1547 and name HG11)) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 2000 weight 0.10000E+01 volume 0.68900E+00 ppm1 2.181 ppm2 6.758 ASSI ( (( segid " " and resid 1547 and name HG12)) )( (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 8912 weight 0.10000E+01 volume 0.66900E+00 ppm1 1.286 ppm2 6.760 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 8937 weight 0.10000E+01 volume 0.44300E+00 ppm1 1.010 ppm2 6.733 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1581 and name HA )) OR (( segid " " and resid 1559 and name HA )) OR (( segid " " and resid 1546 and name HA )) ) 5.000 5.000 0.000 peak 8934 weight 0.10000E+01 volume 0.31700E+00 ppm1 1.016 ppm2 5.348 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1550 and name HG11)) ) 5.000 5.000 0.000 peak 8922 weight 0.10000E+01 volume 0.83700E+00 ppm1 1.013 ppm2 1.535 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1595 and name HD2 )) OR (( segid " " and resid 1595 and name HD1 )) OR (( segid " " and resid 1595 and name HB1 )) OR (( segid " " and resid 1560 and name HB2 )) OR (( segid " " and resid 1560 and name HB1 )) ) 5.000 5.000 0.000 peak 8924 weight 0.10000E+01 volume 0.49200E+00 ppm1 1.014 ppm2 1.830 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1595 and name HB2 )) OR (( segid " " and resid 1560 and name HD1 )) OR (( segid " " and resid 1550 and name HB )) ) 5.000 5.000 0.000 peak 8923 weight 0.10000E+01 volume 0.55600E+00 ppm1 1.011 ppm2 1.682 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1550 and name HA )) OR (( segid " " and resid 1549 and name HA )) OR (( segid " " and resid 1548 and name HA )) ) 5.000 5.000 0.000 peak 8932 weight 0.10000E+01 volume 0.81500E+00 ppm1 1.014 ppm2 4.648 ASSI ( (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) )( (( segid " " and resid 1560 and name HE2 )) OR (( segid " " and resid 1560 and name HE1 )) OR (( segid " " and resid 1559 and name HB2 )) OR (( segid " " and resid 1547 and name HB )) ) 5.000 5.000 0.000 peak 8882 weight 0.10000E+01 volume 0.39300E+00 ppm1 1.254 ppm2 2.871 ASSI ( (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) )( (( segid " " and resid 1562 and name HB )) OR (( segid " " and resid 1546 and name HB1 )) ) 3.300 3.300 0.000 peak 8881 weight 0.10000E+01 volume 0.19800E+01 ppm1 1.253 ppm2 3.810 ASSI ( (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) )( (( segid " " and resid 1549 and name HB2 )) OR (( segid " " and resid 1549 and name HB1 )) ) 5.000 5.000 0.000 peak 8880 weight 0.10000E+01 volume 0.10230E+01 ppm1 1.253 ppm2 3.905 ASSI ( (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) )( (( segid " " and resid 1595 and name HD2 )) OR (( segid " " and resid 1595 and name HD1 )) OR (( segid " " and resid 1595 and name HB1 )) OR (( segid " " and resid 1563 and name HB1 )) OR (( segid " " and resid 1560 and name HB2 )) OR (( segid " " and resid 1560 and name HB1 )) ) 5.000 5.000 0.000 peak 8883 weight 0.10000E+01 volume 0.89000E+00 ppm1 1.257 ppm2 1.831 ASSI ( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) )( (( segid " " and resid 1595 and name HN )) OR (( segid " " and resid 1550 and name HN )) ) 5.000 5.000 0.000 peak 5879 weight 0.10000E+01 volume 0.81000E+00 ppm1 1.089 ppm2 8.534 ASSI ( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) )( (( segid " " and resid 1595 and name HD2 )) OR (( segid " " and resid 1595 and name HD1 )) OR (( segid " " and resid 1595 and name HB1 )) OR (( segid " " and resid 1594 and name HB )) OR (( segid " " and resid 1592 and name HB2 )) ) 5.000 5.000 0.000 peak 8857 weight 0.10000E+01 volume 0.77500E+00 ppm1 1.084 ppm2 1.796 ASSI ( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) )( (( segid " " and resid 1550 and name HG11)) ) 3.300 3.300 0.000 peak 5187 weight 0.10000E+01 volume 0.20430E+01 ppm1 1.087 ppm2 1.487 ASSI ( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) )( (( segid " " and resid 1595 and name HB2 )) OR (( segid " " and resid 1550 and name HB )) ) 3.300 3.300 0.000 peak 8855 weight 0.10000E+01 volume 0.21260E+01 ppm1 1.086 ppm2 1.671 ASSI ( (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) )( (( segid " " and resid 1552 and name HN )) OR (( segid " " and resid 1551 and name HN )) ) 5.000 5.000 0.000 peak 5813 weight 0.10000E+01 volume 0.13070E+01 ppm1 0.602 ppm2 8.858 ASSI ( (( segid " " and resid 1551 and name HA )) )( (( segid " " and resid 1552 and name HN )) OR (( segid " " and resid 1551 and name HN )) ) 5.000 5.000 0.000 peak 8829 weight 0.10000E+01 volume -0.12330E+01 ppm1 4.591 ppm2 8.833 ASSI ( (( segid " " and resid 1551 and name HB )) )( (( segid " " and resid 1552 and name HN )) OR (( segid " " and resid 1551 and name HN )) ) 5.000 5.000 0.000 peak 6374 weight 0.10000E+01 volume -0.14470E+01 ppm1 3.944 ppm2 8.858 ASSI ( (( segid " " and resid 1551 and name HG23)) OR (( segid " " and resid 1551 and name HG22)) OR (( segid " " and resid 1551 and name HG21)) )( (( segid " " and resid 1552 and name HN )) OR (( segid " " and resid 1551 and name HN )) ) 5.000 5.000 0.000 peak 5812 weight 0.10000E+01 volume 0.14470E+01 ppm1 1.190 ppm2 8.836 ASSI ( (( segid " " and resid 1551 and name HG23)) OR (( segid " " and resid 1551 and name HG22)) OR (( segid " " and resid 1551 and name HG21)) )( (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) OR (( segid " " and resid 1553 and name HB2 )) OR (( segid " " and resid 1553 and name HB1 )) ) 3.300 3.300 0.000 peak 8839 weight 0.10000E+01 volume 0.21420E+01 ppm1 1.192 ppm2 2.153 ASSI ( (( segid " " and resid 1552 and name HA )) )( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) OR (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) ) 3.300 3.300 0.000 peak 8822 weight 0.10000E+01 volume -0.23300E+01 ppm1 4.262 ppm2 0.893 ASSI ( (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) )( (( segid " " and resid 1554 and name HA )) OR (( segid " " and resid 1552 and name HA )) ) 3.300 3.300 0.000 peak 7846 weight 0.10000E+01 volume 0.25030E+01 ppm1 0.898 ppm2 4.259 ASSI ( (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) )( (( segid " " and resid 1552 and name HN )) OR (( segid " " and resid 1551 and name HN )) ) 5.000 5.000 0.000 peak 5353 weight 0.10000E+01 volume 0.13220E+01 ppm1 0.909 ppm2 8.830 ASSI ( (( segid " " and resid 1554 and name HB2 )) OR (( segid " " and resid 1554 and name HB1 )) )( (( segid " " and resid 1554 and name HD21)) ) 5.000 5.000 0.000 peak 8810 weight 0.10000E+01 volume 0.59400E+00 ppm1 2.953 ppm2 7.787 ASSI ( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) )( (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) OR (( segid " " and resid 1556 and name HB1 )) OR (( segid " " and resid 1554 and name HB2 )) OR (( segid " " and resid 1554 and name HB1 )) ) 5.000 5.000 0.000 peak 8786 weight 0.10000E+01 volume 0.62200E+00 ppm1 0.552 ppm2 2.969 ASSI ( (( segid " " and resid 1556 and name HB2 )) )( (( segid " " and resid 1556 and name HA )) ) 5.000 5.000 0.000 peak 4545 weight 0.10000E+01 volume 0.49800E+00 ppm1 2.803 ppm2 5.410 ASSI ( (( segid " " and resid 1557 and name HA )) )( (( segid " " and resid 1552 and name HA )) ) 3.300 3.300 0.000 peak 8706 weight 0.10000E+01 volume -0.16750E+01 ppm1 4.409 ppm2 4.256 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1621 and name HB2 )) OR (( segid " " and resid 1585 and name HG2 )) OR (( segid " " and resid 1583 and name HG11)) OR (( segid " " and resid 1583 and name HB )) OR (( segid " " and resid 1558 and name HD2 )) OR (( segid " " and resid 1558 and name HD1 )) ) 6.000 6.000 0.000 peak 8723 weight 0.10000E+01 volume 0.27100E+00 ppm1 0.912 ppm2 1.485 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1553 and name HN )) ) 6.000 6.000 0.000 peak 8729 weight 0.10000E+01 volume 0.20200E+00 ppm1 0.917 ppm2 8.660 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1586 and name HB )) OR (( segid " " and resid 1584 and name HG1 )) ) 3.300 3.300 0.000 peak 8724 weight 0.10000E+01 volume 0.17530E+01 ppm1 0.916 ppm2 1.832 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1557 and name HB )) ) 3.300 3.300 0.000 peak 8721 weight 0.10000E+01 volume 0.22690E+01 ppm1 0.912 ppm2 1.732 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) ) 5.000 5.000 0.000 peak 5107 weight 0.10000E+01 volume 0.50100E+00 ppm1 0.379 ppm2 6.641 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 6.000 6.000 0.000 peak 8733 weight 0.10000E+01 volume 0.18800E+00 ppm1 0.372 ppm2 6.914 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1551 and name HG23)) OR (( segid " " and resid 1551 and name HG22)) OR (( segid " " and resid 1551 and name HG21)) ) 5.000 5.000 0.000 peak 8748 weight 0.10000E+01 volume 0.80100E+00 ppm1 0.379 ppm2 1.188 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1584 and name HG2 )) OR (( segid " " and resid 1558 and name HB2 )) OR (( segid " " and resid 1558 and name HB1 )) ) 5.000 5.000 0.000 peak 8747 weight 0.10000E+01 volume 0.42000E+00 ppm1 0.376 ppm2 1.588 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1621 and name HG )) OR (( segid " " and resid 1592 and name HG2 )) OR (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) OR (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) OR (( segid " " and resid 1552 and name HB )) ) 5.000 5.000 0.000 peak 8745 weight 0.10000E+01 volume 0.56100E+00 ppm1 0.379 ppm2 2.029 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) OR (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) ) 5.000 5.000 0.000 peak 8753 weight 0.10000E+01 volume 0.49400E+00 ppm1 0.380 ppm2 1.062 ASSI ( (( segid " " and resid 1558 and name HD1 )) )( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 8693 weight 0.10000E+01 volume 0.45500E+00 ppm1 1.573 ppm2 0.691 ASSI ( (( segid " " and resid 1558 and name HD2 )) )( (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 8694 weight 0.10000E+01 volume 0.31800E+00 ppm1 1.514 ppm2 0.690 ASSI ( (( segid " " and resid 1558 and name HE1 )) )( (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 8766 weight 0.10000E+01 volume 0.41700E+00 ppm1 2.717 ppm2 0.691 ASSI ( (( segid " " and resid 1558 and name HE1 )) )( (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) OR (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 8760 weight 0.10000E+01 volume 0.95000E+00 ppm1 2.708 ppm2 1.090 ASSI ( (( segid " " and resid 1558 and name HE2 )) )( (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) OR (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 3798 weight 0.10000E+01 volume 0.99400E+00 ppm1 2.661 ppm2 1.096 ASSI ( (( segid " " and resid 1558 and name HE2 )) )( (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 8767 weight 0.10000E+01 volume 0.37400E+00 ppm1 2.669 ppm2 0.690 ASSI ( (( segid " " and resid 1558 and name HE1 )) )( (( segid " " and resid 1558 and name HD2 )) OR (( segid " " and resid 1558 and name HD1 )) OR (( segid " " and resid 1558 and name HB2 )) OR (( segid " " and resid 1558 and name HB1 )) ) 3.300 3.300 0.000 peak 8758 weight 0.10000E+01 volume 0.19120E+01 ppm1 2.715 ppm2 1.536 ASSI ( (( segid " " and resid 1558 and name HE2 )) )( (( segid " " and resid 1558 and name HD2 )) OR (( segid " " and resid 1558 and name HD1 )) OR (( segid " " and resid 1558 and name HB2 )) ) 3.300 3.300 0.000 peak 8759 weight 0.10000E+01 volume 0.19380E+01 ppm1 2.662 ppm2 1.533 ASSI ( (( segid " " and resid 1559 and name HA )) )( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) OR (( segid " " and resid 1558 and name HG2 )) OR (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) ) 5.000 5.000 0.000 peak 8636 weight 0.10000E+01 volume -0.77100E+00 ppm1 5.365 ppm2 1.088 ASSI ( (( segid " " and resid 1559 and name HB2 )) )( (( segid " " and resid 1580 and name HG11)) OR (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) ) 5.000 5.000 0.000 peak 4551 weight 0.10000E+01 volume 0.47200E+00 ppm1 2.899 ppm2 0.994 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1593 and name HB1 )) OR (( segid " " and resid 1583 and name HG12)) ) 5.000 5.000 0.000 peak 5068 weight 0.10000E+01 volume -0.73800E+00 ppm1 6.888 ppm2 0.840 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1593 and name HB2 )) OR (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 3.300 3.300 0.000 peak 8654 weight 0.10000E+01 volume -0.18190E+01 ppm1 6.888 ppm2 0.609 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1559 and name HB2 )) ) 3.300 3.300 0.000 peak 5070 weight 0.10000E+01 volume -0.19860E+01 ppm1 6.889 ppm2 2.888 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1595 and name HB2 )) OR (( segid " " and resid 1580 and name HB )) OR (( segid " " and resid 1560 and name HD2 )) OR (( segid " " and resid 1560 and name HD1 )) OR (( segid " " and resid 1558 and name HB1 )) OR (( segid " " and resid 1550 and name HB )) ) 5.000 5.000 0.000 peak 8650 weight 0.10000E+01 volume -0.78500E+00 ppm1 6.883 ppm2 1.682 ASSI ( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) )( (( segid " " and resid 1593 and name HB2 )) OR (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 5.000 5.000 0.000 peak 8656 weight 0.10000E+01 volume 0.14520E+01 ppm1 6.658 ppm2 0.592 ASSI ( (( segid " " and resid 1560 and name HA )) )( (( segid " " and resid 1560 and name HD2 )) OR (( segid " " and resid 1560 and name HD1 )) ) 5.000 5.000 0.000 peak 8072 weight 0.10000E+01 volume -0.97000E+00 ppm1 5.290 ppm2 1.644 ASSI ( (( segid " " and resid 1560 and name HD2 )) )( (( segid " " and resid 1560 and name HB2 )) OR (( segid " " and resid 1560 and name HB1 )) ) 5.000 5.000 0.000 peak 8611 weight 0.10000E+01 volume 0.83700E+00 ppm1 1.489 ppm2 1.831 ASSI ( (( segid " " and resid 1560 and name HE2 )) OR (( segid " " and resid 1560 and name HE1 )) )( (( segid " " and resid 1560 and name HD2 )) OR (( segid " " and resid 1560 and name HD1 )) ) 3.300 3.300 0.000 peak 8618 weight 0.10000E+01 volume 0.20070E+01 ppm1 2.836 ppm2 1.636 ASSI ( (( segid " " and resid 1560 and name HG2 )) OR (( segid " " and resid 1560 and name HG1 )) )( (( segid " " and resid 1560 and name HB2 )) OR (( segid " " and resid 1560 and name HB1 )) ) 3.300 3.300 0.000 peak 8615 weight 0.10000E+01 volume 0.25450E+01 ppm1 1.407 ppm2 1.830 ASSI ( (( segid " " and resid 1561 and name HA )) )( (( segid " " and resid 1595 and name HN )) OR (( segid " " and resid 1550 and name HN )) OR (( segid " " and resid 1546 and name HN )) ) 6.000 6.000 0.000 peak 8556 weight 0.10000E+01 volume -0.29200E+00 ppm1 5.598 ppm2 8.511 ASSI ( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) )( (( segid " " and resid 1550 and name HN )) OR (( segid " " and resid 1546 and name HN )) ) 5.000 5.000 0.000 peak 8574 weight 0.10000E+01 volume 0.73200E+00 ppm1 1.386 ppm2 8.533 ASSI ( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1582 and name HZ )) OR (( segid " " and resid 1543 and name HD2 )) OR (( segid " " and resid 1543 and name HD1 )) ) 5.000 5.000 0.000 peak 5084 weight 0.10000E+01 volume 0.32700E+00 ppm1 1.385 ppm2 6.836 ASSI ( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) )( (( segid " " and resid 1580 and name HN )) OR (( segid " " and resid 1561 and name HN )) ) 5.000 5.000 0.000 peak 5729 weight 0.10000E+01 volume 0.14850E+01 ppm1 1.386 ppm2 9.344 ASSI ( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 3.300 3.300 0.000 peak 5087 weight 0.10000E+01 volume 0.19330E+01 ppm1 1.388 ppm2 7.152 ASSI ( (( segid " " and resid 1562 and name HB )) )( (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) ) 5.000 5.000 0.000 peak 8548 weight 0.10000E+01 volume -0.38700E+00 ppm1 3.820 ppm2 1.237 ASSI ( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) )( (( segid " " and resid 1564 and name HG )) ) 5.000 5.000 0.000 peak 8542 weight 0.10000E+01 volume 0.11970E+01 ppm1 1.046 ppm2 1.492 ASSI ( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) )( (( segid " " and resid 1580 and name HN )) OR (( segid " " and resid 1577 and name HN )) OR (( segid " " and resid 1561 and name HN )) OR (( segid " " and resid 1545 and name HN )) ) 5.000 5.000 0.000 peak 8530 weight 0.10000E+01 volume 0.51800E+00 ppm1 1.051 ppm2 9.355 ASSI ( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) )( (( segid " " and resid 1546 and name HN )) OR (( segid " " and resid 1544 and name HN )) ) 5.000 5.000 0.000 peak 8532 weight 0.10000E+01 volume 0.41600E+00 ppm1 1.052 ppm2 8.560 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) OR (( segid " " and resid 1576 and name HG1 )) OR (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) OR (( segid " " and resid 1564 and name HB1 )) OR (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) OR (( segid " " and resid 1544 and name HE1 )) ) 5.000 5.000 0.000 peak 8521 weight 0.10000E+01 volume 0.61900E+00 ppm1 0.113 ppm2 1.336 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1544 and name HB2 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) ) 5.000 5.000 0.000 peak 8520 weight 0.10000E+01 volume 0.38700E+00 ppm1 0.114 ppm2 1.438 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1574 and name HB1 )) OR (( segid " " and resid 1566 and name HG11)) OR (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) ) 2.700 2.700 0.000 peak 8517 weight 0.10000E+01 volume 0.44820E+01 ppm1 0.113 ppm2 1.081 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1601 and name HB )) OR (( segid " " and resid 1576 and name HB2 )) OR (( segid " " and resid 1576 and name HB1 )) OR (( segid " " and resid 1566 and name HB )) ) 5.000 5.000 0.000 peak 8516 weight 0.10000E+01 volume 0.47000E+00 ppm1 0.113 ppm2 1.609 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1582 and name HZ )) OR (( segid " " and resid 1543 and name HD2 )) OR (( segid " " and resid 1543 and name HD1 )) ) 5.000 5.000 0.000 peak 8497 weight 0.10000E+01 volume 0.31400E+00 ppm1 0.111 ppm2 6.870 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) OR (( segid " " and resid 1563 and name HG )) ) 2.700 2.700 0.000 peak 8518 weight 0.10000E+01 volume 0.36060E+01 ppm1 0.111 ppm2 0.910 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1580 and name HN )) OR (( segid " " and resid 1577 and name HN )) OR (( segid " " and resid 1545 and name HN )) ) 6.000 6.000 0.000 peak 5579 weight 0.10000E+01 volume 0.27600E+00 ppm1 0.116 ppm2 9.364 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1576 and name HN )) OR (( segid " " and resid 1563 and name HN )) ) 6.000 6.000 0.000 peak 5708 weight 0.10000E+01 volume 0.22900E+00 ppm1 0.110 ppm2 8.868 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) ) 2.700 2.700 0.000 peak 8519 weight 0.10000E+01 volume 0.34350E+01 ppm1 0.111 ppm2 0.642 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1575 and name HG2 )) OR (( segid " " and resid 1575 and name HG1 )) OR (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) ) 6.000 6.000 0.000 peak 8515 weight 0.10000E+01 volume 0.25400E+00 ppm1 0.111 ppm2 2.125 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) )( (( segid " " and resid 1564 and name HG )) ) 3.300 3.300 0.000 peak 8461 weight 0.10000E+01 volume 0.16550E+01 ppm1 0.739 ppm2 1.532 ASSI ( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) )( (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 8417 weight 0.10000E+01 volume 0.48100E+00 ppm1 2.119 ppm2 6.682 ASSI ( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) )( (( segid " " and resid 1544 and name HE1 )) OR (( segid " " and resid 1544 and name HB2 )) ) 5.000 5.000 0.000 peak 8419 weight 0.10000E+01 volume 0.13700E+01 ppm1 2.116 ppm2 1.411 ASSI ( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) )( (( segid " " and resid 1577 and name HA )) OR (( segid " " and resid 1566 and name HA )) OR (( segid " " and resid 1563 and name HA )) ) 6.000 6.000 0.000 peak 8418 weight 0.10000E+01 volume 0.17400E+00 ppm1 2.114 ppm2 4.156 ASSI ( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) )( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) OR (( segid " " and resid 1544 and name HD1 )) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) ) 5.000 5.000 0.000 peak 8423 weight 0.10000E+01 volume 0.74800E+00 ppm1 2.118 ppm2 0.746 ASSI ( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) )( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) OR (( segid " " and resid 1576 and name HG1 )) OR (( segid " " and resid 1564 and name HB1 )) ) 5.000 5.000 0.000 peak 8420 weight 0.10000E+01 volume 0.13760E+01 ppm1 2.117 ppm2 1.286 ASSI ( (( segid " " and resid 1566 and name HB )) )( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) ) 2.700 2.700 0.000 peak 8358 weight 0.10000E+01 volume 0.32970E+01 ppm1 1.580 ppm2 0.635 ASSI ( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) )( (( segid " " and resid 1575 and name HA )) OR (( segid " " and resid 1574 and name HA )) ) 5.000 5.000 0.000 peak 6164 weight 0.10000E+01 volume 0.10410E+01 ppm1 0.621 ppm2 4.451 ASSI ( (( segid " " and resid 1566 and name HG11)) )( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) ) 2.700 2.700 0.000 peak 8370 weight 0.10000E+01 volume 0.43420E+01 ppm1 1.041 ppm2 0.644 ASSI ( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) )( (( segid " " and resid 1654 and name HA )) OR (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1565 and name HA )) OR (( segid " " and resid 1541 and name HA )) ) 5.000 5.000 0.000 peak 8384 weight 0.10000E+01 volume 0.58600E+00 ppm1 0.952 ppm2 4.553 ASSI ( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) )( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) OR (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) OR (( segid " " and resid 1544 and name HB2 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) ) 3.300 3.300 0.000 peak 8377 weight 0.10000E+01 volume 0.21510E+01 ppm1 0.950 ppm2 1.386 ASSI ( (( segid " " and resid 1567 and name HB1 )) )( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 5.000 5.000 0.000 peak 4562 weight 0.10000E+01 volume 0.10740E+01 ppm1 3.197 ppm2 0.566 ASSI ( (( segid " " and resid 1567 and name HB2 )) )( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 5.000 5.000 0.000 peak 4561 weight 0.10000E+01 volume 0.50200E+00 ppm1 2.591 ppm2 0.563 ASSI ( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) )( (( segid " " and resid 1650 and name HA )) OR (( segid " " and resid 1531 and name HE2 )) ) 5.000 5.000 0.000 peak 4569 weight 0.10000E+01 volume -0.30800E+00 ppm1 6.652 ppm2 2.768 ASSI ( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) )( (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) OR (( segid " " and resid 1564 and name HB1 )) ) 5.000 5.000 0.000 peak 4572 weight 0.10000E+01 volume -0.10040E+01 ppm1 6.646 ppm2 1.271 ASSI ( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) )( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 5.000 5.000 0.000 peak 4573 weight 0.10000E+01 volume -0.77200E+00 ppm1 6.650 ppm2 0.563 ASSI ( (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) )( (( segid " " and resid 1654 and name HB2 )) OR (( segid " " and resid 1649 and name HB1 )) OR (( segid " " and resid 1567 and name HB1 )) ) 5.000 5.000 0.000 peak 5106 weight 0.10000E+01 volume 0.50500E+00 ppm1 6.700 ppm2 3.211 ASSI ( (( segid " " and resid 1568 and name HB1 )) )( (( segid " " and resid 1568 and name HD1 )) OR (( segid " " and resid 1568 and name HB2 )) ) 3.300 3.300 0.000 peak 8294 weight 0.10000E+01 volume 0.23930E+01 ppm1 1.712 ppm2 1.535 ASSI ( (( segid " " and resid 1568 and name HD2 )) )( (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) OR (( segid " " and resid 1534 and name HB1 )) ) 3.300 3.300 0.000 peak 8308 weight 0.10000E+01 volume 0.21360E+01 ppm1 1.188 ppm2 1.383 ASSI ( (( segid " " and resid 1568 and name HD2 )) )( (( segid " " and resid 1568 and name HD1 )) OR (( segid " " and resid 1568 and name HB2 )) ) 2.700 2.700 0.000 peak 8309 weight 0.10000E+01 volume 0.37310E+01 ppm1 1.189 ppm2 1.507 ASSI ( (( segid " " and resid 1569 and name HB )) )( (( segid " " and resid 1570 and name HN )) ) 5.000 5.000 0.000 peak 6376 weight 0.10000E+01 volume -0.82200E+00 ppm1 4.298 ppm2 8.408 ASSI ( (( segid " " and resid 1569 and name HB )) )( (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1541 and name HA )) OR (( segid " " and resid 1535 and name HA )) ) 5.000 5.000 0.000 peak 8262 weight 0.10000E+01 volume -0.71300E+00 ppm1 4.298 ppm2 4.553 ASSI ( (( segid " " and resid 1569 and name HB )) )( (( segid " " and resid 1569 and name HN )) ) 5.000 5.000 0.000 peak 6377 weight 0.10000E+01 volume -0.37300E+00 ppm1 4.295 ppm2 8.562 ASSI ( (( segid " " and resid 1571 and name HA )) )( (( segid " " and resid 1572 and name HN )) ) 5.000 5.000 0.000 peak 2145 weight 0.10000E+01 volume -0.44400E+00 ppm1 4.052 ppm2 7.968 ASSI ( (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB2 )) OR (( segid " " and resid 1572 and name HB1 )) )( (( segid " " and resid 1619 and name HB2 )) OR (( segid " " and resid 1617 and name HB1 )) ) 5.000 5.000 0.000 peak 8232 weight 0.10000E+01 volume 0.53300E+00 ppm1 0.637 ppm2 2.672 ASSI ( (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB2 )) OR (( segid " " and resid 1572 and name HB1 )) )( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) OR (( segid " " and resid 1573 and name HN )) ) 5.000 5.000 0.000 peak 5630 weight 0.10000E+01 volume 0.13880E+01 ppm1 0.637 ppm2 6.997 ASSI ( (( segid " " and resid 1573 and name HB )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) ) 5.000 5.000 0.000 peak 8211 weight 0.10000E+01 volume 0.74200E+00 ppm1 1.972 ppm2 6.829 ASSI ( (( segid " " and resid 1574 and name HA )) )( (( segid " " and resid 1575 and name HG2 )) OR (( segid " " and resid 1575 and name HG1 )) ) 6.000 6.000 0.000 peak 8178 weight 0.10000E+01 volume -0.13900E+00 ppm1 4.434 ppm2 2.132 ASSI ( (( segid " " and resid 1574 and name HA )) )( (( segid " " and resid 1575 and name HN )) ) 2.700 2.700 0.000 peak 6338 weight 0.10000E+01 volume -0.34810E+01 ppm1 4.435 ppm2 7.839 ASSI ( (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1574 and name HB1 )) )( (( segid " " and resid 1569 and name HB )) ) 5.000 5.000 0.000 peak 8189 weight 0.10000E+01 volume 0.34000E+00 ppm1 1.085 ppm2 4.264 ASSI ( (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1574 and name HB1 )) )( (( segid " " and resid 1577 and name HA )) OR (( segid " " and resid 1566 and name HA )) OR (( segid " " and resid 1563 and name HA )) ) 5.000 5.000 0.000 peak 8190 weight 0.10000E+01 volume 0.39700E+00 ppm1 1.084 ppm2 4.157 ASSI ( (( segid " " and resid 1575 and name HG2 )) OR (( segid " " and resid 1575 and name HG1 )) )( (( segid " " and resid 1575 and name HN )) ) 5.000 5.000 0.000 peak 5583 weight 0.10000E+01 volume 0.10680E+01 ppm1 2.155 ppm2 7.855 ASSI ( (( segid " " and resid 1576 and name HA )) )( (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB1 )) OR (( segid " " and resid 1566 and name HG11)) OR (( segid " " and resid 1563 and name HB2 )) ) 5.000 5.000 0.000 peak 8144 weight 0.10000E+01 volume -0.40400E+00 ppm1 3.546 ppm2 1.037 ASSI ( (( segid " " and resid 1576 and name HA )) )( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) OR (( segid " " and resid 1563 and name HG )) ) 5.000 5.000 0.000 peak 8143 weight 0.10000E+01 volume -0.49000E+00 ppm1 3.547 ppm2 0.889 ASSI ( (( segid " " and resid 1576 and name HA )) )( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) ) 5.000 5.000 0.000 peak 8142 weight 0.10000E+01 volume -0.32700E+00 ppm1 3.549 ppm2 0.596 ASSI ( (( segid " " and resid 1576 and name HB2 )) OR (( segid " " and resid 1576 and name HB1 )) )( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) ) 5.000 5.000 0.000 peak 8152 weight 0.10000E+01 volume 0.50700E+00 ppm1 1.628 ppm2 0.631 ASSI ( (( segid " " and resid 1577 and name HA )) )( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) OR (( segid " " and resid 1563 and name HG )) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 7791 weight 0.10000E+01 volume -0.64500E+00 ppm1 4.154 ppm2 0.889 ASSI ( (( segid " " and resid 1578 and name HA )) )( (( segid " " and resid 1579 and name HB2 )) OR (( segid " " and resid 1579 and name HB1 )) OR (( segid " " and resid 1575 and name HB1 )) ) 6.000 6.000 0.000 peak 8105 weight 0.10000E+01 volume -0.26400E+00 ppm1 4.524 ppm2 1.930 ASSI ( (( segid " " and resid 1578 and name HA )) )( (( segid " " and resid 1575 and name HB2 )) OR (( segid " " and resid 1563 and name HB1 )) ) 6.000 6.000 0.000 peak 8104 weight 0.10000E+01 volume -0.26900E+00 ppm1 4.508 ppm2 1.768 ASSI ( (( segid " " and resid 1578 and name HB1 )) )( (( segid " " and resid 1575 and name HB2 )) ) 5.000 5.000 0.000 peak 8111 weight 0.10000E+01 volume -0.44600E+00 ppm1 4.006 ppm2 1.733 ASSI ( (( segid " " and resid 1578 and name HB1 )) )( (( segid " " and resid 1579 and name HB2 )) OR (( segid " " and resid 1579 and name HB1 )) OR (( segid " " and resid 1575 and name HB1 )) ) 5.000 5.000 0.000 peak 8110 weight 0.10000E+01 volume -0.60200E+00 ppm1 3.997 ppm2 1.929 ASSI ( (( segid " " and resid 1579 and name HG1 )) )( (( segid " " and resid 1580 and name HB )) OR (( segid " " and resid 1560 and name HD2 )) OR (( segid " " and resid 1560 and name HD1 )) ) 5.000 5.000 0.000 peak 8092 weight 0.10000E+01 volume 0.43000E+00 ppm1 2.228 ppm2 1.659 ASSI ( (( segid " " and resid 1579 and name HG1 )) )( (( segid " " and resid 1580 and name HN )) OR (( segid " " and resid 1561 and name HN )) ) 5.000 5.000 0.000 peak 8081 weight 0.10000E+01 volume 0.49700E+00 ppm1 2.229 ppm2 9.352 ASSI ( (( segid " " and resid 1579 and name HG2 )) )( (( segid " " and resid 1580 and name HN )) OR (( segid " " and resid 1561 and name HN )) ) 5.000 5.000 0.000 peak 8082 weight 0.10000E+01 volume 0.39300E+00 ppm1 1.989 ppm2 9.348 ASSI ( (( segid " " and resid 1579 and name HG1 )) )( (( segid " " and resid 1579 and name HG2 )) ) 2.700 2.700 0.000 peak 8093 weight 0.10000E+01 volume 0.85170E+01 ppm1 2.232 ppm2 1.978 ASSI ( (( segid " " and resid 1580 and name HB )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1582 and name HZ )) ) 5.000 5.000 0.000 peak 8041 weight 0.10000E+01 volume 0.64600E+00 ppm1 1.693 ppm2 6.830 ASSI ( (( segid " " and resid 1581 and name HB )) )( (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) OR (( segid " " and resid 1580 and name HG23)) ) 5.000 5.000 0.000 peak 8028 weight 0.10000E+01 volume -0.10260E+01 ppm1 3.971 ppm2 0.693 ASSI ( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) )( (( segid " " and resid 1619 and name HB2 )) OR (( segid " " and resid 1617 and name HB1 )) OR (( segid " " and resid 1558 and name HE2 )) OR (( segid " " and resid 1558 and name HE1 )) ) 5.000 5.000 0.000 peak 8196 weight 0.10000E+01 volume 0.36400E+00 ppm1 1.092 ppm2 2.672 ASSI ( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) )( (( segid " " and resid 1616 and name HD2 )) OR (( segid " " and resid 1560 and name HE2 )) OR (( segid " " and resid 1560 and name HE1 )) ) 5.000 5.000 0.000 peak 8197 weight 0.10000E+01 volume 0.42300E+00 ppm1 1.083 ppm2 2.825 ASSI ( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) )( (( segid " " and resid 1582 and name HN )) ) 3.300 3.300 0.000 peak 5497 weight 0.10000E+01 volume 0.18360E+01 ppm1 1.088 ppm2 9.403 ASSI ( (( segid " " and resid 1582 and name HA )) )( (( segid " " and resid 1619 and name HB1 )) OR (( segid " " and resid 1582 and name HB2 )) ) 5.000 5.000 0.000 peak 4575 weight 0.10000E+01 volume -0.60600E+00 ppm1 5.982 ppm2 2.996 ASSI ( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) )( (( segid " " and resid 1618 and name HG12)) OR (( segid " " and resid 1580 and name HG11)) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 8011 weight 0.10000E+01 volume -0.50500E+00 ppm1 7.145 ppm2 0.933 ASSI ( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1593 and name HB1 )) OR (( segid " " and resid 1583 and name HG12)) OR (( segid " " and resid 1580 and name HG12)) ) 5.000 5.000 0.000 peak 4589 weight 0.10000E+01 volume -0.94400E+00 ppm1 7.145 ppm2 0.792 ASSI ( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1582 and name HZ )) OR (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 5.000 5.000 0.000 peak 5014 weight 0.10000E+01 volume -0.64400E+00 ppm1 7.147 ppm2 6.865 ASSI ( (( segid " " and resid 1582 and name HZ )) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) ) 5.000 5.000 0.000 peak 5079 weight 0.10000E+01 volume -0.10470E+01 ppm1 6.852 ppm2 7.158 ASSI ( (( segid " " and resid 1583 and name HA )) )( (( segid " " and resid 1583 and name HB )) ) 5.000 5.000 0.000 peak 7918 weight 0.10000E+01 volume -0.12050E+01 ppm1 5.767 ppm2 1.437 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1609 and name HG12)) OR (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) OR (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 7969 weight 0.10000E+01 volume 0.66300E+00 ppm1 0.212 ppm2 1.089 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1619 and name HB1 )) OR (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) OR (( segid " " and resid 1582 and name HB2 )) OR (( segid " " and resid 1556 and name HB1 )) ) 5.000 5.000 0.000 peak 7982 weight 0.10000E+01 volume 0.42300E+00 ppm1 0.214 ppm2 3.017 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1616 and name HD2 )) OR (( segid " " and resid 1556 and name HB2 )) ) 5.000 5.000 0.000 peak 7981 weight 0.10000E+01 volume 0.64000E+00 ppm1 0.216 ppm2 2.772 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 5.000 5.000 0.000 peak 7986 weight 0.10000E+01 volume 0.38700E+00 ppm1 0.216 ppm2 7.176 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 7970 weight 0.10000E+01 volume 0.66800E+00 ppm1 0.218 ppm2 1.183 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1583 and name HG11)) OR (( segid " " and resid 1583 and name HB )) ) 3.300 3.300 0.000 peak 7974 weight 0.10000E+01 volume 0.26040E+01 ppm1 0.215 ppm2 1.447 ASSI ( (( segid " " and resid 1583 and name HG12)) )( (( segid " " and resid 1583 and name HG11)) OR (( segid " " and resid 1583 and name HB )) ) 3.300 3.300 0.000 peak 7939 weight 0.10000E+01 volume 0.29150E+01 ppm1 0.829 ppm2 1.484 ASSI ( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) )( (( segid " " and resid 1620 and name HG1 )) OR (( segid " " and resid 1620 and name HB1 )) OR (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) ) 6.000 6.000 0.000 peak 7963 weight 0.10000E+01 volume 0.29300E+00 ppm1 0.696 ppm2 2.203 ASSI ( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) )( (( segid " " and resid 1621 and name HN )) OR (( segid " " and resid 1585 and name HN )) OR (( segid " " and resid 1558 and name HN )) ) 5.000 5.000 0.000 peak 7957 weight 0.10000E+01 volume 0.62900E+00 ppm1 0.695 ppm2 8.960 ASSI ( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) )( (( segid " " and resid 1616 and name HD2 )) OR (( segid " " and resid 1556 and name HB2 )) ) 5.000 5.000 0.000 peak 7964 weight 0.10000E+01 volume 0.44700E+00 ppm1 0.696 ppm2 2.771 ASSI ( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) )( (( segid " " and resid 1584 and name HA )) OR (( segid " " and resid 1558 and name HA )) ) 5.000 5.000 0.000 peak 7959 weight 0.10000E+01 volume 0.45000E+00 ppm1 0.694 ppm2 5.174 ASSI ( (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) )( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) ) 5.000 5.000 0.000 peak 7885 weight 0.10000E+01 volume 0.57100E+00 ppm1 2.053 ppm2 6.672 ASSI ( (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) )( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 7898 weight 0.10000E+01 volume 0.66500E+00 ppm1 2.046 ppm2 0.692 ASSI ( (( segid " " and resid 1584 and name HE1 )) )( (( segid " " and resid 1584 and name HG1 )) OR (( segid " " and resid 1557 and name HB )) ) 5.000 5.000 0.000 peak 7911 weight 0.10000E+01 volume 0.12800E+01 ppm1 3.166 ppm2 1.781 ASSI ( (( segid " " and resid 1584 and name HG1 )) )( (( segid " " and resid 1588 and name HB2 )) OR (( segid " " and resid 1584 and name HE2 )) ) 5.000 5.000 0.000 peak 7905 weight 0.10000E+01 volume 0.49300E+00 ppm1 1.801 ppm2 3.002 ASSI ( (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) )( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) ) 6.000 6.000 0.000 peak 8057 weight 0.10000E+01 volume 0.17700E+00 ppm1 3.006 ppm2 0.199 ASSI ( (( segid " " and resid 1585 and name HG2 )) )( (( segid " " and resid 1556 and name HE2 )) OR (( segid " " and resid 1556 and name HE1 )) ) 5.000 5.000 0.000 peak 7867 weight 0.10000E+01 volume 0.38600E+00 ppm1 1.458 ppm2 7.323 ASSI ( (( segid " " and resid 1586 and name HA )) )( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) OR (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) ) 2.700 2.700 0.000 peak 7812 weight 0.10000E+01 volume -0.36310E+01 ppm1 3.783 ppm2 0.891 ASSI ( (( segid " " and resid 1588 and name HB1 )) )( (( segid " " and resid 1514 and name HB1 )) ) 5.000 5.000 0.000 peak 6319 weight 0.10000E+01 volume 0.34100E+00 ppm1 3.550 ppm2 3.332 ASSI ( (( segid " " and resid 1588 and name HB2 )) )( (( segid " " and resid 1621 and name HG )) OR (( segid " " and resid 1592 and name HG2 )) OR (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) OR (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) ) 5.000 5.000 0.000 peak 6320 weight 0.10000E+01 volume 0.44100E+00 ppm1 3.010 ppm2 2.026 ASSI ( (( segid " " and resid 1588 and name HB2 )) )( (( segid " " and resid 1514 and name HB1 )) ) 5.000 5.000 0.000 peak 6318 weight 0.10000E+01 volume 0.41200E+00 ppm1 3.018 ppm2 3.345 ASSI ( (( segid " " and resid 1588 and name HB2 )) )( (( segid " " and resid 1585 and name HG1 )) OR (( segid " " and resid 1584 and name HG1 )) OR (( segid " " and resid 1557 and name HB )) ) 5.000 5.000 0.000 peak 6321 weight 0.10000E+01 volume 0.39900E+00 ppm1 3.013 ppm2 1.781 ASSI ( (( segid " " and resid 1591 and name HA )) )( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) OR (( segid " " and resid 1517 and name HB1 )) ) 5.000 5.000 0.000 peak 7772 weight 0.10000E+01 volume -0.70100E+00 ppm1 4.197 ppm2 1.977 ASSI ( (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) )( (( segid " " and resid 1592 and name HB2 )) OR (( segid " " and resid 1585 and name HG1 )) OR (( segid " " and resid 1584 and name HG1 )) OR (( segid " " and resid 1557 and name HB )) OR (( segid " " and resid 1517 and name HB2 )) ) 5.000 5.000 0.000 peak 7788 weight 0.10000E+01 volume 0.10420E+01 ppm1 0.906 ppm2 1.782 ASSI ( (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) )( (( segid " " and resid 1621 and name HG )) OR (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) OR (( segid " " and resid 1517 and name HB1 )) OR (( segid " " and resid 1516 and name HB1 )) ) 5.000 5.000 0.000 peak 7787 weight 0.10000E+01 volume 0.11130E+01 ppm1 0.905 ppm2 1.955 ASSI ( (( segid " " and resid 1592 and name HG2 )) )( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) ) 5.000 5.000 0.000 peak 7767 weight 0.10000E+01 volume 0.79400E+00 ppm1 2.056 ppm2 0.890 ASSI ( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1593 and name HB1 )) ) 5.000 5.000 0.000 peak 7744 weight 0.10000E+01 volume 0.10170E+01 ppm1 -0.427 ppm2 0.791 ASSI ( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) )( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) OR (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 7743 weight 0.10000E+01 volume 0.92200E+00 ppm1 -0.428 ppm2 0.890 ASSI ( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) )( (( segid " " and resid 1627 and name HG12)) OR (( segid " " and resid 1593 and name HB2 )) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 3.300 3.300 0.000 peak 7746 weight 0.10000E+01 volume 0.21830E+01 ppm1 -0.430 ppm2 0.634 ASSI ( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) )( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) OR (( segid " " and resid 1593 and name HG )) ) 2.700 2.700 0.000 peak 7747 weight 0.10000E+01 volume 0.34330E+01 ppm1 -0.431 ppm2 0.496 ASSI ( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1621 and name HB2 )) OR (( segid " " and resid 1601 and name HG11)) OR (( segid " " and resid 1550 and name HG11)) ) 5.000 5.000 0.000 peak 7745 weight 0.10000E+01 volume 0.32700E+00 ppm1 -0.426 ppm2 1.484 ASSI ( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) )( (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 5177 weight 0.10000E+01 volume 0.68600E+00 ppm1 -0.431 ppm2 6.776 ASSI ( (( segid " " and resid 1594 and name HA )) )( (( segid " " and resid 1594 and name HG23)) OR (( segid " " and resid 1594 and name HG22)) OR (( segid " " and resid 1594 and name HG21)) OR (( segid " " and resid 1547 and name HG21)) ) 3.300 3.300 0.000 peak 7680 weight 0.10000E+01 volume -0.28620E+01 ppm1 4.029 ppm2 0.989 ASSI ( (( segid " " and resid 1594 and name HB )) )( (( segid " " and resid 1597 and name HD1 )) OR (( segid " " and resid 1547 and name HB )) ) 5.000 5.000 0.000 peak 7684 weight 0.10000E+01 volume 0.74000E+00 ppm1 1.783 ppm2 2.870 ASSI ( (( segid " " and resid 1595 and name HA )) )( (( segid " " and resid 1595 and name HD2 )) OR (( segid " " and resid 1595 and name HD1 )) OR (( segid " " and resid 1595 and name HB1 )) ) 5.000 5.000 0.000 peak 7651 weight 0.10000E+01 volume -0.63200E+00 ppm1 3.717 ppm2 1.802 ASSI ( (( segid " " and resid 1597 and name HB1 )) )( (( segid " " and resid 1597 and name HG1 )) OR (( segid " " and resid 1597 and name HB2 )) ) 3.300 3.300 0.000 peak 7447 weight 0.10000E+01 volume 0.21730E+01 ppm1 2.229 ppm2 1.584 ASSI ( (( segid " " and resid 1597 and name HB1 )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 5024 weight 0.10000E+01 volume 0.89000E+00 ppm1 2.229 ppm2 6.789 ASSI ( (( segid " " and resid 1597 and name HB2 )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 5048 weight 0.10000E+01 volume 0.92600E+00 ppm1 1.591 ppm2 6.809 ASSI ( (( segid " " and resid 1597 and name HD2 )) )( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) ) 5.000 5.000 0.000 peak 7635 weight 0.10000E+01 volume 0.42700E+00 ppm1 2.534 ppm2 0.843 ASSI ( (( segid " " and resid 1597 and name HD1 )) )( (( segid " " and resid 1597 and name HG1 )) OR (( segid " " and resid 1597 and name HB2 )) ) 5.000 5.000 0.000 peak 7450 weight 0.10000E+01 volume 0.11590E+01 ppm1 2.872 ppm2 1.583 ASSI ( (( segid " " and resid 1597 and name HD2 )) )( (( segid " " and resid 1597 and name HG1 )) OR (( segid " " and resid 1597 and name HB2 )) ) 5.000 5.000 0.000 peak 7452 weight 0.10000E+01 volume 0.79100E+00 ppm1 2.538 ppm2 1.583 ASSI ( (( segid " " and resid 1597 and name HD2 )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 4741 weight 0.10000E+01 volume 0.53500E+00 ppm1 2.536 ppm2 6.829 ASSI ( (( segid " " and resid 1597 and name HG2 )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 5062 weight 0.10000E+01 volume 0.87100E+00 ppm1 1.597 ppm2 6.828 ASSI ( (( segid " " and resid 1598 and name HA )) )( (( segid " " and resid 1599 and name HB1 )) OR (( segid " " and resid 1597 and name HD1 )) OR (( segid " " and resid 1547 and name HB )) ) 6.000 6.000 0.000 peak 7594 weight 0.10000E+01 volume -0.29800E+00 ppm1 5.764 ppm2 2.870 ASSI ( (( segid " " and resid 1598 and name HA )) )( (( segid " " and resid 1630 and name HN )) OR (( segid " " and resid 1598 and name HN )) OR (( segid " " and resid 1547 and name HN )) ) 5.000 5.000 0.000 peak 5124 weight 0.10000E+01 volume -0.12800E+01 ppm1 5.762 ppm2 8.461 ASSI ( (( segid " " and resid 1598 and name HA )) )( (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) ) 5.000 5.000 0.000 peak 7598 weight 0.10000E+01 volume -0.50300E+00 ppm1 5.772 ppm2 0.651 ASSI ( (( segid " " and resid 1598 and name HA )) )( (( segid " " and resid 1598 and name HG1 )) OR (( segid " " and resid 1598 and name HB1 )) ) 5.000 5.000 0.000 peak 7595 weight 0.10000E+01 volume -0.64900E+00 ppm1 5.760 ppm2 2.573 ASSI ( (( segid " " and resid 1598 and name HB1 )) )( (( segid " " and resid 1630 and name HB1 )) ) 5.000 5.000 0.000 peak 7608 weight 0.10000E+01 volume 0.55800E+00 ppm1 2.586 ppm2 3.068 ASSI ( (( segid " " and resid 1598 and name HB2 )) )( (( segid " " and resid 1630 and name HB1 )) ) 5.000 5.000 0.000 peak 7607 weight 0.10000E+01 volume 0.58600E+00 ppm1 1.766 ppm2 3.068 ASSI ( (( segid " " and resid 1599 and name HA )) )( (( segid " " and resid 1631 and name HD2 )) OR (( segid " " and resid 1630 and name HB1 )) ) 5.000 5.000 0.000 peak 7409 weight 0.10000E+01 volume -0.45500E+00 ppm1 5.491 ppm2 3.067 ASSI ( (( segid " " and resid 1599 and name HB2 )) )( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 4597 weight 0.10000E+01 volume 0.77500E+00 ppm1 2.217 ppm2 0.892 ASSI ( (( segid " " and resid 1599 and name HB2 )) )( (( segid " " and resid 1599 and name HB1 )) ) 3.300 3.300 0.000 peak 4595 weight 0.10000E+01 volume 0.17020E+01 ppm1 2.215 ppm2 2.869 ASSI ( (( segid " " and resid 1599 and name HB2 )) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1601 and name HG11)) OR (( segid " " and resid 1564 and name HG )) ) 5.000 5.000 0.000 peak 4603 weight 0.10000E+01 volume 0.48600E+00 ppm1 2.216 ppm2 1.527 ASSI ( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) )( (( segid " " and resid 1629 and name HA )) OR (( segid " " and resid 1547 and name HA )) ) 5.000 5.000 0.000 peak 4606 weight 0.10000E+01 volume -0.69500E+00 ppm1 6.743 ppm2 4.504 ASSI ( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) )( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) OR (( segid " " and resid 1593 and name HG )) ) 5.000 5.000 0.000 peak 4607 weight 0.10000E+01 volume -0.71600E+00 ppm1 6.744 ppm2 0.530 ASSI ( (( segid " " and resid 1600 and name HB1 )) )( (( segid " " and resid 1600 and name HG )) ) 5.000 5.000 0.000 peak 7537 weight 0.10000E+01 volume 0.45400E+00 ppm1 2.366 ppm2 1.597 ASSI ( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) )( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) OR (( segid " " and resid 1642 and name HD2 )) ) 5.000 5.000 0.000 peak 7038 weight 0.10000E+01 volume 0.76100E+00 ppm1 0.729 ppm2 6.582 ASSI ( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) )( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1544 and name HE2 )) OR (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) OR (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) OR (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) ) 5.000 5.000 0.000 peak 7552 weight 0.10000E+01 volume 0.13340E+01 ppm1 0.733 ppm2 1.138 ASSI ( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) )( (( segid " " and resid 1627 and name HA )) ) 6.000 6.000 0.000 peak 7506 weight 0.10000E+01 volume 0.22600E+00 ppm1 -0.040 ppm2 4.855 ASSI ( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 5.000 5.000 0.000 peak 5095 weight 0.10000E+01 volume 0.46700E+00 ppm1 -0.041 ppm2 7.141 ASSI ( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) OR (( segid " " and resid 1541 and name HD1 )) ) 5.000 5.000 0.000 peak 7524 weight 0.10000E+01 volume 0.56800E+00 ppm1 -0.051 ppm2 6.730 ASSI ( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1582 and name HZ )) OR (( segid " " and resid 1543 and name HD2 )) OR (( segid " " and resid 1543 and name HD1 )) ) 5.000 5.000 0.000 peak 5072 weight 0.10000E+01 volume 0.41000E+00 ppm1 0.858 ppm2 6.861 ASSI ( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) )( (( segid " " and resid 1601 and name HB )) ) 5.000 5.000 0.000 peak 7501 weight 0.10000E+01 volume 0.14020E+01 ppm1 0.858 ppm2 1.637 ASSI ( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1541 and name HE1 )) ) 5.000 5.000 0.000 peak 5090 weight 0.10000E+01 volume 0.10560E+01 ppm1 0.858 ppm2 7.147 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1538 and name HB2 )) OR (( segid " " and resid 1531 and name HB2 )) ) 5.000 5.000 0.000 peak 7407 weight 0.10000E+01 volume 0.44400E+00 ppm1 0.964 ppm2 1.932 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) OR (( segid " " and resid 1539 and name HB )) ) 5.000 5.000 0.000 peak 7405 weight 0.10000E+01 volume 0.11110E+01 ppm1 0.962 ppm2 2.172 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1626 and name HZ2 )) OR (( segid " " and resid 1533 and name HN )) OR (( segid " " and resid 1530 and name HN )) ) 5.000 5.000 0.000 peak 7397 weight 0.10000E+01 volume 0.41700E+00 ppm1 0.960 ppm2 7.223 ASSI ( (( segid " " and resid 1602 and name HG1 )) )( (( segid " " and resid 1649 and name HB1 )) OR (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) OR (( segid " " and resid 1567 and name HB1 )) ) 5.000 5.000 0.000 peak 7459 weight 0.10000E+01 volume 0.39100E+00 ppm1 2.421 ppm2 3.169 ASSI ( (( segid " " and resid 1602 and name HG2 )) )( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) OR (( segid " " and resid 1567 and name HB1 )) ) 5.000 5.000 0.000 peak 7460 weight 0.10000E+01 volume 0.58600E+00 ppm1 2.325 ppm2 3.173 ASSI ( (( segid " " and resid 1603 and name HA1 )) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) OR (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) ) 5.000 5.000 0.000 peak 7371 weight 0.10000E+01 volume 0.43600E+00 ppm1 4.519 ppm2 1.335 ASSI ( (( segid " " and resid 1603 and name HA2 )) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) OR (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) ) 5.000 5.000 0.000 peak 7369 weight 0.10000E+01 volume 0.60300E+00 ppm1 3.924 ppm2 1.334 ASSI ( (( segid " " and resid 1604 and name HE2 )) OR (( segid " " and resid 1604 and name HE1 )) )( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) ) 5.000 5.000 0.000 peak 7356 weight 0.10000E+01 volume 0.11050E+01 ppm1 3.058 ppm2 0.892 ASSI ( (( segid " " and resid 1605 and name HG2 )) )( (( segid " " and resid 1607 and name HG )) OR (( segid " " and resid 1607 and name HB1 )) OR (( segid " " and resid 1604 and name HG2 )) OR (( segid " " and resid 1604 and name HG1 )) OR (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 5.000 5.000 0.000 peak 7335 weight 0.10000E+01 volume 0.69100E+00 ppm1 2.365 ppm2 1.633 ASSI ( (( segid " " and resid 1606 and name HA )) )( (( segid " " and resid 1607 and name HG )) OR (( segid " " and resid 1607 and name HB1 )) OR (( segid " " and resid 1604 and name HG2 )) OR (( segid " " and resid 1604 and name HG1 )) OR (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 5.000 5.000 0.000 peak 7304 weight 0.10000E+01 volume -0.49500E+00 ppm1 4.016 ppm2 1.632 ASSI ( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) ) 5.000 5.000 0.000 peak 7313 weight 0.10000E+01 volume 0.56700E+00 ppm1 0.473 ppm2 6.830 ASSI ( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) )( (( segid " " and resid 1620 and name HD1 )) ) 5.000 5.000 0.000 peak 7311 weight 0.10000E+01 volume 0.86200E+00 ppm1 0.466 ppm2 4.157 ASSI ( (( segid " " and resid 1607 and name HA )) )( (( segid " " and resid 1607 and name HG )) OR (( segid " " and resid 1607 and name HB1 )) ) 3.300 3.300 0.000 peak 7266 weight 0.10000E+01 volume -0.29560E+01 ppm1 4.425 ppm2 1.633 ASSI ( (( segid " " and resid 1607 and name HB2 )) )( (( segid " " and resid 1608 and name HN )) ) 5.000 5.000 0.000 peak 5260 weight 0.10000E+01 volume 0.79700E+00 ppm1 1.456 ppm2 8.462 ASSI ( (( segid " " and resid 1607 and name HB2 )) )( (( segid " " and resid 1607 and name HG )) OR (( segid " " and resid 1607 and name HB1 )) ) 2.700 2.700 0.000 peak 7273 weight 0.10000E+01 volume 0.42370E+01 ppm1 1.455 ppm2 1.636 ASSI ( (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1607 and name HG )) OR (( segid " " and resid 1607 and name HB1 )) ) 2.700 2.700 0.000 peak 7288 weight 0.10000E+01 volume 0.34600E+01 ppm1 0.854 ppm2 1.632 ASSI ( (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) )( (( segid " " and resid 1620 and name HG1 )) OR (( segid " " and resid 1620 and name HB1 )) ) 6.000 6.000 0.000 peak 7296 weight 0.10000E+01 volume 0.16400E+00 ppm1 0.879 ppm2 2.226 ASSI ( (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) )( (( segid " " and resid 1620 and name HG2 )) OR (( segid " " and resid 1605 and name HB2 )) OR (( segid " " and resid 1604 and name HB2 )) OR (( segid " " and resid 1604 and name HB1 )) ) 5.000 5.000 0.000 peak 7297 weight 0.10000E+01 volume 0.39600E+00 ppm1 0.879 ppm2 1.979 ASSI ( (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) )( (( segid " " and resid 1607 and name HG )) OR (( segid " " and resid 1607 and name HB1 )) ) 3.300 3.300 0.000 peak 7298 weight 0.10000E+01 volume 0.15520E+01 ppm1 0.882 ppm2 1.634 ASSI ( (( segid " " and resid 1608 and name HA )) )( (( segid " " and resid 1619 and name HN )) OR (( segid " " and resid 1616 and name HN )) ) 5.000 5.000 0.000 peak 7244 weight 0.10000E+01 volume -0.10130E+01 ppm1 4.585 ppm2 8.936 ASSI ( (( segid " " and resid 1608 and name HG1 )) )( (( segid " " and resid 1617 and name HB1 )) OR (( segid " " and resid 1615 and name HB2 )) OR (( segid " " and resid 1615 and name HB1 )) OR (( segid " " and resid 1611 and name HB2 )) OR (( segid " " and resid 1611 and name HB1 )) ) 5.000 5.000 0.000 peak 7255 weight 0.10000E+01 volume 0.40100E+00 ppm1 1.848 ppm2 2.675 ASSI ( (( segid " " and resid 1608 and name HG2 )) )( (( segid " " and resid 1617 and name HB1 )) OR (( segid " " and resid 1615 and name HB2 )) OR (( segid " " and resid 1615 and name HB1 )) OR (( segid " " and resid 1611 and name HB2 )) OR (( segid " " and resid 1611 and name HB1 )) ) 5.000 5.000 0.000 peak 7256 weight 0.10000E+01 volume 0.44800E+00 ppm1 1.699 ppm2 2.671 ASSI ( (( segid " " and resid 1609 and name HA )) )( (( segid " " and resid 1616 and name HN )) ) 5.000 5.000 0.000 peak 7220 weight 0.10000E+01 volume -0.36400E+00 ppm1 4.376 ppm2 8.913 ASSI ( (( segid " " and resid 1609 and name HA )) )( (( segid " " and resid 1609 and name HD13)) OR (( segid " " and resid 1609 and name HD12)) OR (( segid " " and resid 1609 and name HD11)) OR (( segid " " and resid 1609 and name HG23)) OR (( segid " " and resid 1609 and name HG22)) OR (( segid " " and resid 1609 and name HG21)) ) 5.000 5.000 0.000 peak 7219 weight 0.10000E+01 volume -0.14860E+01 ppm1 4.379 ppm2 0.718 ASSI ( (( segid " " and resid 1609 and name HB )) )( (( segid " " and resid 1609 and name HG11)) ) 5.000 5.000 0.000 peak 7227 weight 0.10000E+01 volume 0.79500E+00 ppm1 1.724 ppm2 1.279 ASSI ( (( segid " " and resid 1609 and name HB )) )( (( segid " " and resid 1609 and name HD13)) OR (( segid " " and resid 1609 and name HD12)) OR (( segid " " and resid 1609 and name HD11)) OR (( segid " " and resid 1609 and name HG23)) OR (( segid " " and resid 1609 and name HG22)) OR (( segid " " and resid 1609 and name HG21)) ) 3.300 3.300 0.000 peak 7228 weight 0.10000E+01 volume 0.20080E+01 ppm1 1.727 ppm2 0.718 ASSI ( (( segid " " and resid 1609 and name HD13)) OR (( segid " " and resid 1609 and name HD12)) OR (( segid " " and resid 1609 and name HD11)) )( (( segid " " and resid 1610 and name HN )) ) 6.000 6.000 0.000 peak 7153 weight 0.10000E+01 volume 0.26800E+00 ppm1 0.684 ppm2 8.511 ASSI ( (( segid " " and resid 1609 and name HG11)) )( (( segid " " and resid 1609 and name HD13)) OR (( segid " " and resid 1609 and name HD12)) OR (( segid " " and resid 1609 and name HD11)) OR (( segid " " and resid 1609 and name HG23)) OR (( segid " " and resid 1609 and name HG22)) OR (( segid " " and resid 1609 and name HG21)) ) 3.300 3.300 0.000 peak 7234 weight 0.10000E+01 volume 0.18390E+01 ppm1 1.258 ppm2 0.694 ASSI ( (( segid " " and resid 1609 and name HG12)) )( (( segid " " and resid 1609 and name HD13)) OR (( segid " " and resid 1609 and name HD12)) OR (( segid " " and resid 1609 and name HD11)) OR (( segid " " and resid 1609 and name HG23)) OR (( segid " " and resid 1609 and name HG22)) OR (( segid " " and resid 1609 and name HG21)) ) 5.000 5.000 0.000 peak 7237 weight 0.10000E+01 volume 0.14780E+01 ppm1 1.046 ppm2 0.694 ASSI ( (( segid " " and resid 1609 and name HG23)) OR (( segid " " and resid 1609 and name HG22)) OR (( segid " " and resid 1609 and name HG21)) )( (( segid " " and resid 1616 and name HN )) ) 5.000 5.000 0.000 peak 7240 weight 0.10000E+01 volume 0.66400E+00 ppm1 0.727 ppm2 8.957 ASSI ( (( segid " " and resid 1609 and name HG23)) OR (( segid " " and resid 1609 and name HG22)) OR (( segid " " and resid 1609 and name HG21)) )( (( segid " " and resid 1608 and name HN )) ) 5.000 5.000 0.000 peak 4141 weight 0.10000E+01 volume 0.52600E+00 ppm1 0.729 ppm2 8.498 ASSI ( (( segid " " and resid 1611 and name HA )) )( (( segid " " and resid 1611 and name HN )) ) 3.300 3.300 0.000 peak 5154 weight 0.10000E+01 volume -0.16300E+01 ppm1 4.508 ppm2 8.295 ASSI ( (( segid " " and resid 1617 and name HB2 )) )( (( segid " " and resid 1618 and name HN )) OR (( segid " " and resid 1609 and name HN )) ) 6.000 6.000 0.000 peak 4618 weight 0.10000E+01 volume 0.28400E+00 ppm1 2.385 ppm2 8.808 ASSI ( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) )( (( segid " " and resid 1610 and name HN )) ) 5.000 5.000 0.000 peak 4627 weight 0.10000E+01 volume -0.53000E+00 ppm1 6.992 ppm2 8.543 ASSI ( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) )( (( segid " " and resid 1616 and name HB1 )) OR (( segid " " and resid 1610 and name HB1 )) OR (( segid " " and resid 1609 and name HB )) OR (( segid " " and resid 1608 and name HG2 )) OR (( segid " " and resid 1608 and name HB2 )) OR (( segid " " and resid 1608 and name HB1 )) OR (( segid " " and resid 1607 and name HB1 )) ) 5.000 5.000 0.000 peak 4622 weight 0.10000E+01 volume -0.64600E+00 ppm1 6.986 ppm2 1.704 ASSI ( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) )( (( segid " " and resid 1617 and name HA )) ) 5.000 5.000 0.000 peak 4736 weight 0.10000E+01 volume 0.39300E+00 ppm1 6.803 ppm2 5.468 ASSI ( (( segid " " and resid 1618 and name HB )) )( (( segid " " and resid 1618 and name HN )) OR (( segid " " and resid 1607 and name HN )) ) 5.000 5.000 0.000 peak 7140 weight 0.10000E+01 volume 0.71100E+00 ppm1 1.546 ppm2 8.800 ASSI ( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) )( (( segid " " and resid 1619 and name HN )) ) 5.000 5.000 0.000 peak 4641 weight 0.10000E+01 volume -0.75000E+00 ppm1 6.847 ppm2 8.908 ASSI ( (( segid " " and resid 1619 and name HB1 )) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1541 and name HE1 )) ) 5.000 5.000 0.000 peak 4630 weight 0.10000E+01 volume 0.62600E+00 ppm1 2.974 ppm2 7.151 ASSI ( (( segid " " and resid 1619 and name HB1 )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1582 and name HZ )) ) 5.000 5.000 0.000 peak 4629 weight 0.10000E+01 volume 0.96900E+00 ppm1 2.970 ppm2 6.858 ASSI ( (( segid " " and resid 1619 and name HB2 )) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1541 and name HE1 )) ) 5.000 5.000 0.000 peak 4631 weight 0.10000E+01 volume 0.89400E+00 ppm1 2.633 ppm2 7.144 ASSI ( (( segid " " and resid 1619 and name HB2 )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1582 and name HZ )) ) 5.000 5.000 0.000 peak 4637 weight 0.10000E+01 volume 0.10380E+01 ppm1 2.631 ppm2 6.855 ASSI ( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) )( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) ) 5.000 5.000 0.000 peak 5045 weight 0.10000E+01 volume -0.54900E+00 ppm1 6.860 ppm2 0.445 ASSI ( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1541 and name HE1 )) ) 5.000 5.000 0.000 peak 4640 weight 0.10000E+01 volume -0.10400E+01 ppm1 6.851 ppm2 7.141 ASSI ( (( segid " " and resid 1620 and name HA )) )( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) OR (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 7072 weight 0.10000E+01 volume -0.12180E+01 ppm1 4.966 ppm2 0.692 ASSI ( (( segid " " and resid 1620 and name HA )) )( (( segid " " and resid 1620 and name HB1 )) ) 5.000 5.000 0.000 peak 7070 weight 0.10000E+01 volume -0.12560E+01 ppm1 4.965 ppm2 2.193 ASSI ( (( segid " " and resid 1620 and name HA )) )( (( segid " " and resid 1621 and name HB1 )) OR (( segid " " and resid 1620 and name HB2 )) ) 5.000 5.000 0.000 peak 7071 weight 0.10000E+01 volume -0.14510E+01 ppm1 4.962 ppm2 2.075 ASSI ( (( segid " " and resid 1620 and name HB1 )) )( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) OR (( segid " " and resid 1583 and name HG12)) ) 5.000 5.000 0.000 peak 7067 weight 0.10000E+01 volume 0.55300E+00 ppm1 2.196 ppm2 0.865 ASSI ( (( segid " " and resid 1620 and name HG1 )) )( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1583 and name HG12)) ) 5.000 5.000 0.000 peak 7087 weight 0.10000E+01 volume 0.41800E+00 ppm1 2.237 ppm2 0.843 ASSI ( (( segid " " and resid 1620 and name HG2 )) )( (( segid " " and resid 1607 and name HG )) OR (( segid " " and resid 1607 and name HB1 )) OR (( segid " " and resid 1604 and name HG2 )) OR (( segid " " and resid 1604 and name HG1 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 5.000 5.000 0.000 peak 7088 weight 0.10000E+01 volume 0.67700E+00 ppm1 1.977 ppm2 1.630 ASSI ( (( segid " " and resid 1620 and name HG2 )) )( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) OR (( segid " " and resid 1583 and name HG12)) ) 5.000 5.000 0.000 peak 7086 weight 0.10000E+01 volume 0.66900E+00 ppm1 1.980 ppm2 0.842 ASSI ( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1582 and name HZ )) OR (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 5.000 5.000 0.000 peak 5073 weight 0.10000E+01 volume 0.62600E+00 ppm1 0.695 ppm2 6.882 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1621 and name HB2 )) OR (( segid " " and resid 1601 and name HG11)) ) 5.000 5.000 0.000 peak 7053 weight 0.10000E+01 volume 0.12410E+01 ppm1 0.792 ppm2 1.483 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 5.000 5.000 0.000 peak 5098 weight 0.10000E+01 volume 0.97400E+00 ppm1 0.791 ppm2 7.148 ASSI ( (( segid " " and resid 1623 and name HA )) )( (( segid " " and resid 1515 and name HA1 )) ) 5.000 5.000 0.000 peak 4978 weight 0.10000E+01 volume -0.79300E+00 ppm1 3.989 ppm2 4.288 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) )( (( segid " " and resid 1624 and name HG )) OR (( segid " " and resid 1624 and name HB2 )) OR (( segid " " and resid 1624 and name HB1 )) ) 3.300 3.300 0.000 peak 7289 weight 0.10000E+01 volume 0.25940E+01 ppm1 0.844 ppm2 1.770 ASSI ( (( segid " " and resid 1625 and name HB )) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1621 and name HB2 )) OR (( segid " " and resid 1601 and name HG11)) ) 5.000 5.000 0.000 peak 6986 weight 0.10000E+01 volume -0.84000E+00 ppm1 3.989 ppm2 1.484 ASSI ( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) )( (( segid " " and resid 1621 and name HA )) OR (( segid " " and resid 1620 and name HA )) OR (( segid " " and resid 1602 and name HA )) ) 5.000 5.000 0.000 peak 6999 weight 0.10000E+01 volume 0.11410E+01 ppm1 1.342 ppm2 4.999 ASSI ( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) )( (( segid " " and resid 1601 and name HA )) ) 5.000 5.000 0.000 peak 6997 weight 0.10000E+01 volume 0.37600E+00 ppm1 1.340 ppm2 5.740 ASSI ( (( segid " " and resid 1626 and name HD1 )) )( (( segid " " and resid 1601 and name HB )) OR (( segid " " and resid 1600 and name HG )) ) 5.000 5.000 0.000 peak 4994 weight 0.10000E+01 volume -0.59300E+00 ppm1 6.791 ppm2 1.631 ASSI ( (( segid " " and resid 1626 and name HZ2 )) )( (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) OR (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) OR (( segid " " and resid 1518 and name HG2 )) ) 5.000 5.000 0.000 peak 6968 weight 0.10000E+01 volume 0.80600E+00 ppm1 7.202 ppm2 1.192 ASSI ( (( segid " " and resid 1626 and name HZ2 )) )( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) OR (( segid " " and resid 1525 and name HB )) ) 6.000 6.000 0.000 peak 4998 weight 0.10000E+01 volume 0.28800E+00 ppm1 7.203 ppm2 1.979 ASSI ( (( segid " " and resid 1626 and name HZ2 )) )( (( segid " " and resid 1530 and name HG1 )) ) 5.000 5.000 0.000 peak 5000 weight 0.10000E+01 volume 0.35000E+00 ppm1 7.204 ppm2 0.549 ASSI ( (( segid " " and resid 1626 and name HZ2 )) )( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) OR (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) ) 3.300 3.300 0.000 peak 4999 weight 0.10000E+01 volume 0.19310E+01 ppm1 7.202 ppm2 1.087 ASSI ( (( segid " " and resid 1626 and name HZ3 )) )( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) OR (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) ) 5.000 5.000 0.000 peak 5003 weight 0.10000E+01 volume 0.50000E+00 ppm1 6.941 ppm2 1.088 ASSI ( (( segid " " and resid 1626 and name HZ3 )) )( (( segid " " and resid 1539 and name HG12)) OR (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) OR (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) OR (( segid " " and resid 1518 and name HG2 )) ) 5.000 5.000 0.000 peak 5002 weight 0.10000E+01 volume 0.48300E+00 ppm1 6.941 ppm2 1.198 ASSI ( (( segid " " and resid 1627 and name HB )) )( (( segid " " and resid 1627 and name HN )) ) 5.000 5.000 0.000 peak 5275 weight 0.10000E+01 volume 0.45500E+00 ppm1 1.498 ppm2 8.313 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1626 and name HD1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 4743 weight 0.10000E+01 volume 0.93000E+00 ppm1 0.499 ppm2 6.760 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) ) 3.300 3.300 0.000 peak 6939 weight 0.10000E+01 volume 0.20630E+01 ppm1 0.500 ppm2 1.510 ASSI ( (( segid " " and resid 1628 and name HB2 )) )( (( segid " " and resid 1628 and name HG1 )) OR (( segid " " and resid 1628 and name HB1 )) ) 3.300 3.300 0.000 peak 6895 weight 0.10000E+01 volume 0.18610E+01 ppm1 1.772 ppm2 2.437 ASSI ( (( segid " " and resid 1629 and name HA )) )( (( segid " " and resid 1599 and name HA )) ) 5.000 5.000 0.000 peak 6161 weight 0.10000E+01 volume -0.54200E+00 ppm1 4.531 ppm2 5.492 ASSI ( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) )( (( segid " " and resid 1598 and name HG1 )) OR (( segid " " and resid 1598 and name HB1 )) OR (( segid " " and resid 1597 and name HD2 )) OR (( segid " " and resid 1517 and name HG2 )) OR (( segid " " and resid 1517 and name HG1 )) ) 5.000 5.000 0.000 peak 6829 weight 0.10000E+01 volume -0.31000E+00 ppm1 6.838 ppm2 2.570 ASSI ( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) )( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) OR (( segid " " and resid 1599 and name HB2 )) OR (( segid " " and resid 1597 and name HB1 )) OR (( segid " " and resid 1547 and name HG11)) OR (( segid " " and resid 1520 and name HG2 )) ) 5.000 5.000 0.000 peak 5059 weight 0.10000E+01 volume -0.65900E+00 ppm1 6.839 ppm2 2.198 ASSI ( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) )( (( segid " " and resid 1632 and name HG2 )) OR (( segid " " and resid 1597 and name HG1 )) OR (( segid " " and resid 1597 and name HB2 )) OR (( segid " " and resid 1521 and name HA )) ) 5.000 5.000 0.000 peak 5061 weight 0.10000E+01 volume -0.75800E+00 ppm1 6.838 ppm2 1.583 ASSI ( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) )( (( segid " " and resid 1630 and name HN )) OR (( segid " " and resid 1598 and name HN )) OR (( segid " " and resid 1520 and name HN )) ) 5.000 5.000 0.000 peak 4323 weight 0.10000E+01 volume 0.49400E+00 ppm1 6.817 ppm2 8.458 ASSI ( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) )( (( segid " " and resid 1632 and name HG2 )) OR (( segid " " and resid 1597 and name HG1 )) OR (( segid " " and resid 1597 and name HB2 )) OR (( segid " " and resid 1521 and name HA )) ) 5.000 5.000 0.000 peak 4748 weight 0.10000E+01 volume 0.11210E+01 ppm1 6.819 ppm2 1.584 ASSI ( (( segid " " and resid 1630 and name HE3 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) OR (( segid " " and resid 1544 and name HD1 )) ) 5.000 5.000 0.000 peak 4673 weight 0.10000E+01 volume 0.39800E+00 ppm1 7.491 ppm2 0.740 ASSI ( (( segid " " and resid 1630 and name HZ2 )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) OR (( segid " " and resid 1598 and name HE21)) ) 6.000 6.000 0.000 peak 9696 weight 0.10000E+01 volume 0.15200E+00 ppm1 7.469 ppm2 6.879 ASSI ( (( segid " " and resid 1630 and name HZ3 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) OR (( segid " " and resid 1544 and name HD1 )) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) ) 5.000 5.000 0.000 peak 5018 weight 0.10000E+01 volume 0.33700E+00 ppm1 7.135 ppm2 0.741 ASSI ( (( segid " " and resid 1630 and name HZ3 )) )( (( segid " " and resid 1600 and name HB2 )) OR (( segid " " and resid 1544 and name HB1 )) ) 5.000 5.000 0.000 peak 5101 weight 0.10000E+01 volume 0.40000E+00 ppm1 7.139 ppm2 2.049 ASSI ( (( segid " " and resid 1631 and name HA )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) ) 5.000 5.000 0.000 peak 6747 weight 0.10000E+01 volume -0.79000E+00 ppm1 4.024 ppm2 6.829 ASSI ( (( segid " " and resid 1631 and name HG2 )) )( (( segid " " and resid 1631 and name HD1 )) ) 5.000 5.000 0.000 peak 6781 weight 0.10000E+01 volume 0.53400E+00 ppm1 1.787 ppm2 3.639 ASSI ( (( segid " " and resid 1632 and name HA )) )( (( segid " " and resid 1632 and name HG1 )) OR (( segid " " and resid 1632 and name HB2 )) ) 3.300 3.300 0.000 peak 6717 weight 0.10000E+01 volume -0.19250E+01 ppm1 4.281 ppm2 1.754 ASSI ( (( segid " " and resid 1632 and name HD2 )) OR (( segid " " and resid 1632 and name HD1 )) )( (( segid " " and resid 1632 and name HG1 )) OR (( segid " " and resid 1632 and name HB2 )) ) 3.300 3.300 0.000 peak 6737 weight 0.10000E+01 volume 0.27110E+01 ppm1 3.209 ppm2 1.759 ASSI ( (( segid " " and resid 1633 and name HB2 )) OR (( segid " " and resid 1633 and name HB1 )) )( (( segid " " and resid 1634 and name HN )) ) 5.000 5.000 0.000 peak 6388 weight 0.10000E+01 volume 0.12930E+01 ppm1 2.834 ppm2 7.980 ASSI ( (( segid " " and resid 1635 and name HB )) )( (( segid " " and resid 1635 and name HN )) ) 5.000 5.000 0.000 peak 6386 weight 0.10000E+01 volume -0.33400E+00 ppm1 4.359 ppm2 8.511 ASSI ( (( segid " " and resid 1640 and name HA )) )( (( segid " " and resid 1643 and name HN )) OR (( segid " " and resid 1641 and name HN )) ) 5.000 5.000 0.000 peak 6356 weight 0.10000E+01 volume -0.57600E+00 ppm1 3.969 ppm2 8.512 ASSI ( (( segid " " and resid 1640 and name HG1 )) )( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) ) 6.000 6.000 0.000 peak 6299 weight 0.10000E+01 volume 0.18500E+00 ppm1 2.555 ppm2 0.798 ASSI ( (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) )( (( segid " " and resid 1640 and name HN )) ) 6.000 6.000 0.000 peak 6114 weight 0.10000E+01 volume 0.12400E+00 ppm1 1.450 ppm2 8.760 ASSI ( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) )( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1631 and name HG2 )) OR (( segid " " and resid 1628 and name HB2 )) ) 5.000 5.000 0.000 peak 4689 weight 0.10000E+01 volume -0.71000E+00 ppm1 6.619 ppm2 1.782 ASSI ( (( segid " " and resid 1643 and name HB2 )) )( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1643 and name HB1 )) ) 3.300 3.300 0.000 peak 6271 weight 0.10000E+01 volume 0.28930E+01 ppm1 1.441 ppm2 1.836 ASSI ( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) )( (( segid " " and resid 1640 and name HB1 )) OR (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) ) 5.000 5.000 0.000 peak 6287 weight 0.10000E+01 volume 0.35900E+00 ppm1 0.992 ppm2 2.210 ASSI ( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) )( (( segid " " and resid 1640 and name HB2 )) OR (( segid " " and resid 1640 and name HB1 )) OR (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) ) 5.000 5.000 0.000 peak 6300 weight 0.10000E+01 volume 0.38800E+00 ppm1 0.804 ppm2 2.179 ASSI ( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) )( (( segid " " and resid 1634 and name HG23)) OR (( segid " " and resid 1634 and name HG22)) OR (( segid " " and resid 1634 and name HG21)) ) 3.300 3.300 0.000 peak 6303 weight 0.10000E+01 volume 0.19500E+01 ppm1 0.801 ppm2 1.187 ASSI ( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) )( (( segid " " and resid 1640 and name HA )) ) 5.000 5.000 0.000 peak 6296 weight 0.10000E+01 volume 0.65400E+00 ppm1 0.802 ppm2 3.964 ASSI ( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) )( (( segid " " and resid 1643 and name HG )) ) 3.300 3.300 0.000 peak 6302 weight 0.10000E+01 volume 0.25600E+01 ppm1 0.800 ppm2 1.810 ASSI ( (( segid " " and resid 1644 and name HA )) )( (( segid " " and resid 1645 and name HD22)) OR (( segid " " and resid 1645 and name HN )) ) 5.000 5.000 0.000 peak 6347 weight 0.10000E+01 volume -0.30600E+00 ppm1 4.150 ppm2 7.175 ASSI ( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) )( (( segid " " and resid 1647 and name HB1 )) ) 5.000 5.000 0.000 peak 6260 weight 0.10000E+01 volume 0.74900E+00 ppm1 1.454 ppm2 2.672 ASSI ( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) )( (( segid " " and resid 1645 and name HB1 )) ) 5.000 5.000 0.000 peak 5816 weight 0.10000E+01 volume 0.39500E+00 ppm1 1.453 ppm2 2.920 ASSI ( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) )( (( segid " " and resid 1647 and name HB2 )) OR (( segid " " and resid 1640 and name HG1 )) ) 5.000 5.000 0.000 peak 6261 weight 0.10000E+01 volume 0.35400E+00 ppm1 1.459 ppm2 2.561 ASSI ( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) )( (( segid " " and resid 1645 and name HA )) ) 5.000 5.000 0.000 peak 5261 weight 0.10000E+01 volume 0.62400E+00 ppm1 1.455 ppm2 4.403 ASSI ( (( segid " " and resid 1645 and name HB1 )) )( (( segid " " and resid 1648 and name HA )) OR (( segid " " and resid 1642 and name HA )) ) 6.000 6.000 0.000 peak 6258 weight 0.10000E+01 volume 0.24300E+00 ppm1 2.926 ppm2 3.958 ASSI ( (( segid " " and resid 1645 and name HB1 )) )( (( segid " " and resid 1645 and name HD22)) OR (( segid " " and resid 1645 and name HN )) ) 5.000 5.000 0.000 peak 5138 weight 0.10000E+01 volume 0.14180E+01 ppm1 2.921 ppm2 7.175 ASSI ( (( segid " " and resid 1645 and name HB2 )) )( (( segid " " and resid 1645 and name HD22)) OR (( segid " " and resid 1645 and name HN )) ) 5.000 5.000 0.000 peak 5140 weight 0.10000E+01 volume 0.11560E+01 ppm1 2.379 ppm2 7.176 ASSI ( (( segid " " and resid 1646 and name HA )) )( (( segid " " and resid 1646 and name HB2 )) ) 5.000 5.000 0.000 peak 6221 weight 0.10000E+01 volume -0.93900E+00 ppm1 3.506 ppm2 0.124 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1649 and name HN )) OR (( segid " " and resid 1630 and name HZ2 )) OR (( segid " " and resid 1630 and name HE3 )) ) 5.000 5.000 0.000 peak 6255 weight 0.10000E+01 volume 0.32300E+00 ppm1 -0.207 ppm2 7.473 ASSI ( (( segid " " and resid 1648 and name HA )) )( (( segid " " and resid 1648 and name HN )) ) 5.000 5.000 0.000 peak 6337 weight 0.10000E+01 volume -0.10050E+01 ppm1 3.996 ppm2 7.850 ASSI ( (( segid " " and resid 1648 and name HB1 )) )( (( segid " " and resid 1645 and name HA )) ) 5.000 5.000 0.000 peak 6204 weight 0.10000E+01 volume 0.37000E+00 ppm1 2.162 ppm2 4.405 ASSI ( (( segid " " and resid 1648 and name HB2 )) )( (( segid " " and resid 1645 and name HA )) ) 5.000 5.000 0.000 peak 6205 weight 0.10000E+01 volume 0.80200E+00 ppm1 2.064 ppm2 4.404 ASSI ( (( segid " " and resid 1649 and name HA )) )( (( segid " " and resid 1652 and name HN )) ) 6.000 6.000 0.000 peak 6329 weight 0.10000E+01 volume -0.11300E+00 ppm1 4.244 ppm2 7.621 ASSI ( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) )( (( segid " " and resid 1646 and name HB2 )) OR (( segid " " and resid 1530 and name HG2 )) ) 5.000 5.000 0.000 peak 9573 weight 0.10000E+01 volume -0.32000E+00 ppm1 6.875 ppm2 0.147 ASSI ( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) )( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) OR (( segid " " and resid 1530 and name HG1 )) ) 5.000 5.000 0.000 peak 4691 weight 0.10000E+01 volume -0.48200E+00 ppm1 6.882 ppm2 0.566 ASSI ( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) )( (( segid " " and resid 1650 and name HN )) OR (( segid " " and resid 1531 and name HN )) OR (( segid " " and resid 1529 and name HN )) ) 5.000 5.000 0.000 peak 4708 weight 0.10000E+01 volume -0.73100E+00 ppm1 6.885 ppm2 8.187 ASSI ( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) )( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) OR (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) OR (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) ) 5.000 5.000 0.000 peak 4699 weight 0.10000E+01 volume -0.70300E+00 ppm1 6.888 ppm2 1.192 ASSI ( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) )( (( segid " " and resid 1531 and name HB2 )) OR (( segid " " and resid 1531 and name HB1 )) OR (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) ) 5.000 5.000 0.000 peak 4701 weight 0.10000E+01 volume -0.10100E+01 ppm1 6.884 ppm2 1.953 ASSI ( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) OR (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 5.000 5.000 0.000 peak 4706 weight 0.10000E+01 volume -0.78700E+00 ppm1 6.583 ppm2 0.689 ASSI ( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) )( (( segid " " and resid 1531 and name HB2 )) OR (( segid " " and resid 1531 and name HB1 )) OR (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) ) 5.000 5.000 0.000 peak 9692 weight 0.10000E+01 volume -0.50000E+00 ppm1 6.592 ppm2 1.985 ASSI ( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) )( (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) OR (( segid " " and resid 1568 and name HD2 )) OR (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) ) 5.000 5.000 0.000 peak 4731 weight 0.10000E+01 volume -0.11530E+01 ppm1 6.580 ppm2 1.237 ASSI ( (( segid " " and resid 1650 and name HA )) )( (( segid " " and resid 1653 and name HN )) OR (( segid " " and resid 1651 and name HN )) ) 5.000 5.000 0.000 peak 5213 weight 0.10000E+01 volume -0.58100E+00 ppm1 2.772 ppm2 8.066 ASSI ( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) )( (( segid " " and resid 1651 and name HN )) ) 3.300 3.300 0.000 peak 5217 weight 0.10000E+01 volume 0.16830E+01 ppm1 1.191 ppm2 8.066 ASSI ( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 5.000 5.000 0.000 peak 5076 weight 0.10000E+01 volume 0.32000E+00 ppm1 1.193 ppm2 6.878 ASSI ( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) )( (( segid " " and resid 1649 and name HZ )) OR (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 6197 weight 0.10000E+01 volume 0.99800E+00 ppm1 1.190 ppm2 6.680 ASSI ( (( segid " " and resid 1651 and name HG1 )) )( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) OR (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) ) 5.000 5.000 0.000 peak 6189 weight 0.10000E+01 volume 0.77000E+00 ppm1 2.384 ppm2 0.917 ASSI ( (( segid " " and resid 1652 and name HA )) )( (( segid " " and resid 1656 and name HD21)) OR (( segid " " and resid 1653 and name HN )) OR (( segid " " and resid 1651 and name HN )) ) 5.000 5.000 0.000 peak 5932 weight 0.10000E+01 volume -0.11320E+01 ppm1 4.333 ppm2 8.067 ASSI ( (( segid " " and resid 1652 and name HA )) )( (( segid " " and resid 1652 and name HN )) ) 5.000 5.000 0.000 peak 6324 weight 0.10000E+01 volume -0.84500E+00 ppm1 4.333 ppm2 7.636 ASSI ( (( segid " " and resid 1652 and name HB2 )) )( (( segid " " and resid 1656 and name HD21)) OR (( segid " " and resid 1653 and name HN )) OR (( segid " " and resid 1651 and name HN )) ) 5.000 5.000 0.000 peak 6182 weight 0.10000E+01 volume 0.95100E+00 ppm1 2.709 ppm2 8.067 ASSI ( (( segid " " and resid 1653 and name HA )) )( (( segid " " and resid 1658 and name HN )) OR (( segid " " and resid 1653 and name HN )) ) 5.000 5.000 0.000 peak 5207 weight 0.10000E+01 volume -0.68000E+00 ppm1 3.815 ppm2 8.066 ASSI ( (( segid " " and resid 1653 and name HA )) )( (( segid " " and resid 1656 and name HB2 )) OR (( segid " " and resid 1652 and name HB2 )) OR (( segid " " and resid 1531 and name HE2 )) ) 5.000 5.000 0.000 peak 5931 weight 0.10000E+01 volume -0.57800E+00 ppm1 3.812 ppm2 2.722 ASSI ( (( segid " " and resid 1653 and name HA )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 5.000 5.000 0.000 peak 6145 weight 0.10000E+01 volume -0.10800E+01 ppm1 3.813 ppm2 0.583 ASSI ( (( segid " " and resid 1653 and name HB )) )( (( segid " " and resid 1652 and name HB2 )) OR (( segid " " and resid 1531 and name HE2 )) ) 5.000 5.000 0.000 peak 6146 weight 0.10000E+01 volume 0.46600E+00 ppm1 1.234 ppm2 2.724 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) ) 5.000 5.000 0.000 peak 6153 weight 0.10000E+01 volume 0.82800E+00 ppm1 0.609 ppm2 6.614 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1535 and name HB2 )) OR (( segid " " and resid 1531 and name HE2 )) ) 5.000 5.000 0.000 peak 6158 weight 0.10000E+01 volume 0.47600E+00 ppm1 0.613 ppm2 2.722 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1658 and name HB2 )) OR (( segid " " and resid 1567 and name HB2 )) ) 5.000 5.000 0.000 peak 6159 weight 0.10000E+01 volume 0.50600E+00 ppm1 0.613 ppm2 2.619 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1657 and name HN )) ) 5.000 5.000 0.000 peak 6152 weight 0.10000E+01 volume 0.48300E+00 ppm1 0.607 ppm2 7.907 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1658 and name HB1 )) OR (( segid " " and resid 1654 and name HB2 )) OR (( segid " " and resid 1567 and name HB1 )) ) 6.000 6.000 0.000 peak 6157 weight 0.10000E+01 volume 0.20700E+00 ppm1 0.608 ppm2 3.168 ASSI ( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) )( (( segid " " and resid 1657 and name HA2 )) OR (( segid " " and resid 1657 and name HA1 )) OR (( segid " " and resid 1651 and name HA )) ) 5.000 5.000 0.000 peak 6149 weight 0.10000E+01 volume 0.41500E+00 ppm1 1.133 ppm2 4.007 ASSI ( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) )( (( segid " " and resid 1654 and name HA )) OR (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1535 and name HA )) ) 5.000 5.000 0.000 peak 6175 weight 0.10000E+01 volume 0.10550E+01 ppm1 0.560 ppm2 4.564 ASSI ( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) )( (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) OR (( segid " " and resid 1544 and name HB2 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) OR (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) OR (( segid " " and resid 1531 and name HG2 )) ) 5.000 5.000 0.000 peak 6181 weight 0.10000E+01 volume 0.14530E+01 ppm1 0.561 ppm2 1.385 ASSI ( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) )( (( segid " " and resid 1655 and name HN )) OR (( segid " " and resid 1650 and name HN )) ) 6.000 6.000 0.000 peak 6177 weight 0.10000E+01 volume 0.23300E+00 ppm1 0.559 ppm2 8.226 ASSI ( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) )( (( segid " " and resid 1656 and name HA )) OR (( segid " " and resid 1567 and name HA )) ) 5.000 5.000 0.000 peak 6176 weight 0.10000E+01 volume 0.80000E+00 ppm1 0.562 ppm2 4.800 ASSI ( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) )( (( segid " " and resid 1655 and name HA )) OR (( segid " " and resid 1651 and name HA )) ) 6.000 6.000 0.000 peak 4724 weight 0.10000E+01 volume -0.24500E+00 ppm1 7.330 ppm2 4.055 ASSI ( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) )( (( segid " " and resid 1655 and name HG )) OR (( segid " " and resid 1655 and name HB1 )) ) 5.000 5.000 0.000 peak 6132 weight 0.10000E+01 volume -0.45700E+00 ppm1 7.333 ppm2 1.829 ASSI ( (( segid " " and resid 1654 and name HE2 )) OR (( segid " " and resid 1654 and name HE1 )) )( (( segid " " and resid 1657 and name HA1 )) OR (( segid " " and resid 1655 and name HA )) OR (( segid " " and resid 1651 and name HA )) ) 6.000 6.000 0.000 peak 4728 weight 0.10000E+01 volume -0.26100E+00 ppm1 7.421 ppm2 4.056 ASSI ( (( segid " " and resid 1655 and name HB2 )) )( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) OR (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) ) 3.300 3.300 0.000 peak 6126 weight 0.10000E+01 volume 0.26300E+01 ppm1 1.492 ppm2 0.909 ASSI ( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) OR (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) )( (( segid " " and resid 1656 and name HD22)) ) 6.000 6.000 0.000 peak 6138 weight 0.10000E+01 volume 0.22000E+00 ppm1 0.898 ppm2 6.977 ASSI ( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) )( (( segid " " and resid 1655 and name HG )) OR (( segid " " and resid 1655 and name HB1 )) ) 3.300 3.300 0.000 peak 6127 weight 0.10000E+01 volume 0.19440E+01 ppm1 0.897 ppm2 1.829 ASSI ( (( segid " " and resid 1655 and name HG )) )( (( segid " " and resid 1655 and name HN )) ) 5.000 5.000 0.000 peak 5202 weight 0.10000E+01 volume 0.65200E+00 ppm1 1.837 ppm2 8.217 ASSI ( (( segid " " and resid 1513 and name HB1 )) )( (( segid " " and resid 1513 and name HA )) ) 5.000 5.000 0.000 peak 9688 weight 0.10000E+01 volume 0.11210E+01 ppm1 2.881 ppm2 4.700 ASSI ( (( segid " " and resid 1513 and name HB2 )) )( (( segid " " and resid 1513 and name HA )) ) 3.300 3.300 0.000 peak 5148 weight 0.10000E+01 volume 0.22610E+01 ppm1 2.705 ppm2 4.701 ASSI ( (( segid " " and resid 1514 and name HB2 )) )( (( segid " " and resid 1514 and name HB1 )) ) 2.700 2.700 0.000 peak 6307 weight 0.10000E+01 volume 0.32260E+01 ppm1 2.762 ppm2 3.342 ASSI ( (( segid " " and resid 1516 and name HB2 )) )( (( segid " " and resid 1516 and name HA )) ) 3.300 3.300 0.000 peak 9677 weight 0.10000E+01 volume 0.16200E+01 ppm1 1.855 ppm2 4.476 ASSI ( (( segid " " and resid 1516 and name HG2 )) OR (( segid " " and resid 1516 and name HG1 )) )( (( segid " " and resid 1516 and name HA )) ) 5.000 5.000 0.000 peak 9681 weight 0.10000E+01 volume 0.97300E+00 ppm1 2.192 ppm2 4.479 ASSI ( (( segid " " and resid 1517 and name HA )) )( (( segid " " and resid 1518 and name HN )) ) 3.300 3.300 0.000 peak 6352 weight 0.10000E+01 volume -0.17250E+01 ppm1 4.436 ppm2 8.212 ASSI ( (( segid " " and resid 1517 and name HB1 )) )( (( segid " " and resid 1517 and name HA )) ) 5.000 5.000 0.000 peak 9652 weight 0.10000E+01 volume 0.79400E+00 ppm1 1.994 ppm2 4.447 ASSI ( (( segid " " and resid 1517 and name HB1 )) )( (( segid " " and resid 1517 and name HN )) ) 5.000 5.000 0.000 peak 9649 weight 0.10000E+01 volume 0.79400E+00 ppm1 1.997 ppm2 8.413 ASSI ( (( segid " " and resid 1517 and name HB2 )) )( (( segid " " and resid 1591 and name HA )) ) 5.000 5.000 0.000 peak 9656 weight 0.10000E+01 volume 0.30900E+00 ppm1 1.816 ppm2 4.206 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1591 and name HA )) ) 5.000 5.000 0.000 peak 7775 weight 0.10000E+01 volume 0.62200E+00 ppm1 1.952 ppm2 4.206 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1592 and name HN )) ) 5.000 5.000 0.000 peak 5172 weight 0.10000E+01 volume 0.54100E+00 ppm1 1.953 ppm2 7.937 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 5.000 5.000 0.000 peak 5173 weight 0.10000E+01 volume 0.10610E+01 ppm1 1.954 ppm2 -0.444 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 5171 weight 0.10000E+01 volume 0.10550E+01 ppm1 1.955 ppm2 6.776 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) ) 5.000 5.000 0.000 peak 9666 weight 0.10000E+01 volume 0.14130E+01 ppm1 1.954 ppm2 0.593 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) ) 3.300 3.300 0.000 peak 5178 weight 0.10000E+01 volume 0.17660E+01 ppm1 1.956 ppm2 0.494 ASSI ( (( segid " " and resid 1517 and name HG2 )) OR (( segid " " and resid 1517 and name HG1 )) )( (( segid " " and resid 1517 and name HA )) ) 5.000 5.000 0.000 peak 9659 weight 0.10000E+01 volume 0.57100E+00 ppm1 2.517 ppm2 4.444 ASSI ( (( segid " " and resid 1517 and name HG2 )) OR (( segid " " and resid 1517 and name HG1 )) )( (( segid " " and resid 1517 and name HN )) ) 5.000 5.000 0.000 peak 5968 weight 0.10000E+01 volume 0.65500E+00 ppm1 2.526 ppm2 8.409 ASSI ( (( segid " " and resid 1517 and name HG2 )) OR (( segid " " and resid 1517 and name HG1 )) )( (( segid " " and resid 1591 and name HA )) ) 5.000 5.000 0.000 peak 7771 weight 0.10000E+01 volume 0.81100E+00 ppm1 2.523 ppm2 4.195 ASSI ( (( segid " " and resid 1517 and name HG2 )) OR (( segid " " and resid 1517 and name HG1 )) )( (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) ) 5.000 5.000 0.000 peak 7785 weight 0.10000E+01 volume 0.34400E+00 ppm1 2.513 ppm2 0.891 ASSI ( (( segid " " and resid 1517 and name HG2 )) OR (( segid " " and resid 1517 and name HG1 )) )( (( segid " " and resid 1627 and name HB )) ) 5.000 5.000 0.000 peak 9661 weight 0.10000E+01 volume 0.61300E+00 ppm1 2.521 ppm2 1.527 ASSI ( (( segid " " and resid 1517 and name HG2 )) OR (( segid " " and resid 1517 and name HG1 )) )( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) ) 5.000 5.000 0.000 peak 5189 weight 0.10000E+01 volume 0.10220E+01 ppm1 2.522 ppm2 0.500 ASSI ( (( segid " " and resid 1518 and name HA )) )( (( segid " " and resid 1518 and name HB1 )) ) 5.000 5.000 0.000 peak 9626 weight 0.10000E+01 volume -0.12070E+01 ppm1 3.894 ppm2 2.143 ASSI ( (( segid " " and resid 1518 and name HA )) )( (( segid " " and resid 1518 and name HB2 )) ) 5.000 5.000 0.000 peak 9629 weight 0.10000E+01 volume -0.67800E+00 ppm1 3.899 ppm2 1.683 ASSI ( (( segid " " and resid 1518 and name HA )) )( (( segid " " and resid 1518 and name HN )) ) 5.000 5.000 0.000 peak 9625 weight 0.10000E+01 volume -0.48100E+00 ppm1 3.896 ppm2 8.210 ASSI ( (( segid " " and resid 1518 and name HA )) )( (( segid " " and resid 1519 and name HG2 )) ) 5.000 5.000 0.000 peak 9627 weight 0.10000E+01 volume -0.65900E+00 ppm1 3.894 ppm2 2.278 ASSI ( (( segid " " and resid 1518 and name HA )) )( (( segid " " and resid 1519 and name HN )) ) 3.300 3.300 0.000 peak 6378 weight 0.10000E+01 volume -0.19200E+01 ppm1 3.897 ppm2 9.171 ASSI ( (( segid " " and resid 1518 and name HB2 )) )( (( segid " " and resid 1518 and name HB1 )) ) 3.300 3.300 0.000 peak 9637 weight 0.10000E+01 volume 0.16050E+01 ppm1 1.692 ppm2 2.128 ASSI ( (( segid " " and resid 1518 and name HB1 )) )( (( segid " " and resid 1518 and name HN )) ) 5.000 5.000 0.000 peak 9623 weight 0.10000E+01 volume 0.56000E+00 ppm1 2.139 ppm2 8.199 ASSI ( (( segid " " and resid 1518 and name HB2 )) )( (( segid " " and resid 1518 and name HN )) ) 5.000 5.000 0.000 peak 6882 weight 0.10000E+01 volume 0.40500E+00 ppm1 1.688 ppm2 8.209 ASSI ( (( segid " " and resid 1518 and name HB1 )) )( (( segid " " and resid 1519 and name HN )) ) 5.000 5.000 0.000 peak 6087 weight 0.10000E+01 volume 0.36300E+00 ppm1 2.136 ppm2 9.180 ASSI ( (( segid " " and resid 1518 and name HG1 )) )( (( segid " " and resid 1518 and name HB1 )) ) 5.000 5.000 0.000 peak 9643 weight 0.10000E+01 volume 0.40400E+00 ppm1 1.484 ppm2 2.131 ASSI ( (( segid " " and resid 1518 and name HG2 )) )( (( segid " " and resid 1518 and name HG1 )) ) 3.300 3.300 0.000 peak 9645 weight 0.10000E+01 volume 0.18170E+01 ppm1 1.205 ppm2 1.485 ASSI ( (( segid " " and resid 1518 and name HG2 )) )( (( segid " " and resid 1518 and name HN )) ) 5.000 5.000 0.000 peak 9642 weight 0.10000E+01 volume 0.32900E+00 ppm1 1.200 ppm2 8.195 ASSI ( (( segid " " and resid 1519 and name HA )) )( (( segid " " and resid 1519 and name HN )) ) 5.000 5.000 0.000 peak 9613 weight 0.10000E+01 volume -0.63000E+00 ppm1 4.002 ppm2 9.179 ASSI ( (( segid " " and resid 1519 and name HB1 )) )( (( segid " " and resid 1519 and name HN )) ) 5.000 5.000 0.000 peak 6076 weight 0.10000E+01 volume 0.92500E+00 ppm1 1.970 ppm2 9.162 ASSI ( (( segid " " and resid 1519 and name HB1 )) )( (( segid " " and resid 1520 and name HN )) ) 5.000 5.000 0.000 peak 5365 weight 0.10000E+01 volume 0.83900E+00 ppm1 1.965 ppm2 8.464 ASSI ( (( segid " " and resid 1519 and name HB1 )) )( (( segid " " and resid 1522 and name HB1 )) ) 5.000 5.000 0.000 peak 9619 weight 0.10000E+01 volume 0.47300E+00 ppm1 1.966 ppm2 3.214 ASSI ( (( segid " " and resid 1519 and name HG1 )) )( (( segid " " and resid 1519 and name HN )) ) 5.000 5.000 0.000 peak 6186 weight 0.10000E+01 volume 0.44900E+00 ppm1 2.355 ppm2 9.163 ASSI ( (( segid " " and resid 1520 and name HA )) )( (( segid " " and resid 1520 and name HB2 )) OR (( segid " " and resid 1520 and name HB1 )) ) 3.300 3.300 0.000 peak 9586 weight 0.10000E+01 volume -0.15240E+01 ppm1 4.157 ppm2 1.880 ASSI ( (( segid " " and resid 1520 and name HA )) )( (( segid " " and resid 1520 and name HG1 )) ) 5.000 5.000 0.000 peak 9582 weight 0.10000E+01 volume -0.43200E+00 ppm1 4.148 ppm2 2.423 ASSI ( (( segid " " and resid 1520 and name HA )) )( (( segid " " and resid 1520 and name HG2 )) ) 5.000 5.000 0.000 peak 9583 weight 0.10000E+01 volume -0.66700E+00 ppm1 4.154 ppm2 2.175 ASSI ( (( segid " " and resid 1520 and name HA )) )( (( segid " " and resid 1520 and name HN )) ) 6.000 6.000 0.000 peak 9581 weight 0.10000E+01 volume -0.29600E+00 ppm1 4.156 ppm2 8.473 ASSI ( (( segid " " and resid 1520 and name HB2 )) OR (( segid " " and resid 1520 and name HB1 )) )( (( segid " " and resid 1520 and name HG1 )) ) 3.300 3.300 0.000 peak 9591 weight 0.10000E+01 volume 0.18450E+01 ppm1 1.891 ppm2 2.427 ASSI ( (( segid " " and resid 1520 and name HB2 )) OR (( segid " " and resid 1520 and name HB1 )) )( (( segid " " and resid 1521 and name HG )) ) 5.000 5.000 0.000 peak 9592 weight 0.10000E+01 volume 0.59300E+00 ppm1 1.890 ppm2 1.189 ASSI ( (( segid " " and resid 1520 and name HG1 )) )( (( segid " " and resid 1520 and name HN )) ) 5.000 5.000 0.000 peak 5145 weight 0.10000E+01 volume 0.90700E+00 ppm1 2.433 ppm2 8.468 ASSI ( (( segid " " and resid 1520 and name HG2 )) )( (( segid " " and resid 1520 and name HN )) ) 5.000 5.000 0.000 peak 9606 weight 0.10000E+01 volume 0.45900E+00 ppm1 2.167 ppm2 8.480 ASSI ( (( segid " " and resid 1521 and name HA )) )( (( segid " " and resid 1521 and name HB2 )) ) 5.000 5.000 0.000 peak 9537 weight 0.10000E+01 volume -0.97300E+00 ppm1 1.574 ppm2 1.069 ASSI ( (( segid " " and resid 1521 and name HB2 )) )( (( segid " " and resid 1521 and name HB1 )) ) 3.300 3.300 0.000 peak 9541 weight 0.10000E+01 volume 0.27840E+01 ppm1 1.070 ppm2 1.633 ASSI ( (( segid " " and resid 1521 and name HB1 )) )( (( segid " " and resid 1521 and name HD13)) OR (( segid " " and resid 1521 and name HD12)) OR (( segid " " and resid 1521 and name HD11)) ) 5.000 5.000 0.000 peak 9550 weight 0.10000E+01 volume 0.53800E+00 ppm1 1.655 ppm2 0.884 ASSI ( (( segid " " and resid 1521 and name HB2 )) )( (( segid " " and resid 1521 and name HD13)) OR (( segid " " and resid 1521 and name HD12)) OR (( segid " " and resid 1521 and name HD11)) ) 5.000 5.000 0.000 peak 9544 weight 0.10000E+01 volume 0.60500E+00 ppm1 1.071 ppm2 0.889 ASSI ( (( segid " " and resid 1521 and name HB1 )) )( (( segid " " and resid 1521 and name HG )) ) 5.000 5.000 0.000 peak 9552 weight 0.10000E+01 volume 0.71000E+00 ppm1 1.656 ppm2 1.211 ASSI ( (( segid " " and resid 1521 and name HB2 )) )( (( segid " " and resid 1521 and name HG )) ) 5.000 5.000 0.000 peak 9543 weight 0.10000E+01 volume 0.85900E+00 ppm1 1.073 ppm2 1.207 ASSI ( (( segid " " and resid 1521 and name HD13)) OR (( segid " " and resid 1521 and name HD12)) OR (( segid " " and resid 1521 and name HD11)) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) ) 5.000 5.000 0.000 peak 5049 weight 0.10000E+01 volume 0.55500E+00 ppm1 0.881 ppm2 6.829 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) ) 5.000 5.000 0.000 peak 9578 weight 0.10000E+01 volume 0.49900E+00 ppm1 0.569 ppm2 6.828 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1631 and name HD2 )) ) 5.000 5.000 0.000 peak 9571 weight 0.10000E+01 volume 0.70600E+00 ppm1 0.568 ppm2 3.065 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1631 and name HG2 )) ) 5.000 5.000 0.000 peak 9560 weight 0.10000E+01 volume 0.11570E+01 ppm1 0.569 ppm2 1.782 ASSI ( (( segid " " and resid 1522 and name HA )) )( (( segid " " and resid 1522 and name HB1 )) ) 5.000 5.000 0.000 peak 8164 weight 0.10000E+01 volume -0.88100E+00 ppm1 4.431 ppm2 3.196 ASSI ( (( segid " " and resid 1522 and name HA )) )( (( segid " " and resid 1522 and name HN )) ) 3.300 3.300 0.000 peak 6339 weight 0.10000E+01 volume -0.15440E+01 ppm1 4.435 ppm2 7.819 ASSI ( (( segid " " and resid 1522 and name HA )) )( (( segid " " and resid 1523 and name HN )) ) 2.700 2.700 0.000 peak 8166 weight 0.10000E+01 volume -0.30680E+01 ppm1 4.434 ppm2 8.637 ASSI ( (( segid " " and resid 1522 and name HB2 )) )( (( segid " " and resid 1519 and name HB2 )) ) 5.000 5.000 0.000 peak 9528 weight 0.10000E+01 volume 0.63700E+00 ppm1 2.226 ppm2 1.877 ASSI ( (( segid " " and resid 1522 and name HB2 )) )( (( segid " " and resid 1522 and name HA )) ) 5.000 5.000 0.000 peak 9531 weight 0.10000E+01 volume 0.74200E+00 ppm1 2.232 ppm2 4.430 ASSI ( (( segid " " and resid 1522 and name HB2 )) )( (( segid " " and resid 1522 and name HB1 )) ) 3.300 3.300 0.000 peak 2042 weight 0.10000E+01 volume 0.21960E+01 ppm1 2.236 ppm2 3.201 ASSI ( (( segid " " and resid 1522 and name HB1 )) )( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) ) 5.000 5.000 0.000 peak 9489 weight 0.10000E+01 volume 0.98200E+00 ppm1 3.203 ppm2 1.091 ASSI ( (( segid " " and resid 1522 and name HB2 )) )( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) ) 5.000 5.000 0.000 peak 9490 weight 0.10000E+01 volume 0.65500E+00 ppm1 2.237 ppm2 1.087 ASSI ( (( segid " " and resid 1523 and name HA )) )( (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) OR (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) ) 3.300 3.300 0.000 peak 9495 weight 0.10000E+01 volume -0.23060E+01 ppm1 4.235 ppm2 0.990 ASSI ( (( segid " " and resid 1523 and name HA )) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 5.000 5.000 0.000 peak 9494 weight 0.10000E+01 volume -0.41200E+00 ppm1 4.236 ppm2 6.624 ASSI ( (( segid " " and resid 1523 and name HB1 )) )( (( segid " " and resid 1523 and name HA )) ) 5.000 5.000 0.000 peak 9233 weight 0.10000E+01 volume 0.67000E+00 ppm1 1.858 ppm2 4.235 ASSI ( (( segid " " and resid 1523 and name HB2 )) )( (( segid " " and resid 1523 and name HA )) ) 5.000 5.000 0.000 peak 9497 weight 0.10000E+01 volume 0.65500E+00 ppm1 1.717 ppm2 4.239 ASSI ( (( segid " " and resid 1523 and name HB2 )) )( (( segid " " and resid 1523 and name HN )) ) 5.000 5.000 0.000 peak 6066 weight 0.10000E+01 volume 0.55000E+00 ppm1 1.711 ppm2 8.635 ASSI ( (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) )( (( segid " " and resid 1523 and name HA )) ) 5.000 5.000 0.000 peak 9507 weight 0.10000E+01 volume 0.45200E+00 ppm1 1.047 ppm2 4.254 ASSI ( (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) )( (( segid " " and resid 1523 and name HN )) ) 5.000 5.000 0.000 peak 6067 weight 0.10000E+01 volume 0.31500E+00 ppm1 1.050 ppm2 8.618 ASSI ( (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) )( (( segid " " and resid 1523 and name HA )) ) 3.300 3.300 0.000 peak 6281 weight 0.10000E+01 volume 0.25900E+01 ppm1 0.995 ppm2 4.236 ASSI ( (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) )( (( segid " " and resid 1642 and name HA )) ) 3.300 3.300 0.000 peak 6282 weight 0.10000E+01 volume 0.15050E+01 ppm1 0.995 ppm2 3.958 ASSI ( (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 5.000 5.000 0.000 peak 6279 weight 0.10000E+01 volume 0.10110E+01 ppm1 0.994 ppm2 6.620 ASSI ( (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) )( (( segid " " and resid 1642 and name HN )) ) 5.000 5.000 0.000 peak 5259 weight 0.10000E+01 volume 0.46100E+00 ppm1 0.995 ppm2 8.087 ASSI ( (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) )( (( segid " " and resid 1645 and name HD21)) ) 5.000 5.000 0.000 peak 5112 weight 0.10000E+01 volume 0.33700E+00 ppm1 0.994 ppm2 7.621 ASSI ( (( segid " " and resid 1523 and name HG )) )( (( segid " " and resid 1523 and name HA )) ) 5.000 5.000 0.000 peak 9500 weight 0.10000E+01 volume 0.42400E+00 ppm1 1.952 ppm2 4.255 ASSI ( (( segid " " and resid 1523 and name HG )) )( (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) OR (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) ) 2.700 2.700 0.000 peak 9502 weight 0.10000E+01 volume 0.30120E+01 ppm1 1.955 ppm2 1.017 ASSI ( (( segid " " and resid 1524 and name HB )) )( (( segid " " and resid 1524 and name HG23)) OR (( segid " " and resid 1524 and name HG22)) OR (( segid " " and resid 1524 and name HG21)) ) 2.700 2.700 0.000 peak 9492 weight 0.10000E+01 volume -0.34410E+01 ppm1 4.338 ppm2 1.236 ASSI ( (( segid " " and resid 1524 and name HB )) )( (( segid " " and resid 1524 and name HN )) ) 5.000 5.000 0.000 peak 9491 weight 0.10000E+01 volume -0.44200E+00 ppm1 4.349 ppm2 8.903 ASSI ( (( segid " " and resid 1525 and name HA )) )( (( segid " " and resid 1525 and name HB )) ) 5.000 5.000 0.000 peak 9462 weight 0.10000E+01 volume -0.30800E+00 ppm1 4.192 ppm2 1.930 ASSI ( (( segid " " and resid 1525 and name HB )) )( (( segid " " and resid 1525 and name HG11)) ) 5.000 5.000 0.000 peak 9464 weight 0.10000E+01 volume 0.58300E+00 ppm1 1.947 ppm2 1.533 ASSI ( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) )( (( segid " " and resid 1626 and name HZ2 )) ) 5.000 5.000 0.000 peak 8861 weight 0.10000E+01 volume 0.74200E+00 ppm1 1.099 ppm2 7.195 ASSI ( (( segid " " and resid 1525 and name HG11)) )( (( segid " " and resid 1525 and name HA )) ) 5.000 5.000 0.000 peak 9473 weight 0.10000E+01 volume 0.36800E+00 ppm1 1.536 ppm2 4.157 ASSI ( (( segid " " and resid 1525 and name HG12)) )( (( segid " " and resid 1525 and name HG11)) ) 3.300 3.300 0.000 peak 9468 weight 0.10000E+01 volume 0.22330E+01 ppm1 0.989 ppm2 1.534 ASSI ( (( segid " " and resid 1525 and name HG12)) )( (( segid " " and resid 1525 and name HN )) ) 5.000 5.000 0.000 peak 9476 weight 0.10000E+01 volume 0.45700E+00 ppm1 0.984 ppm2 6.631 ASSI ( (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) )( (( segid " " and resid 1525 and name HN )) ) 5.000 5.000 0.000 peak 9481 weight 0.10000E+01 volume 0.36400E+00 ppm1 1.081 ppm2 6.640 ASSI ( (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) )( (( segid " " and resid 1526 and name HN )) ) 5.000 5.000 0.000 peak 6044 weight 0.10000E+01 volume 0.30900E+00 ppm1 1.083 ppm2 9.147 ASSI ( (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) )( (( segid " " and resid 1626 and name HZ2 )) ) 5.000 5.000 0.000 peak 9313 weight 0.10000E+01 volume 0.12010E+01 ppm1 1.082 ppm2 7.197 ASSI ( (( segid " " and resid 1527 and name HA )) )( (( segid " " and resid 1527 and name HN )) ) 5.000 5.000 0.000 peak 9441 weight 0.10000E+01 volume -0.41000E+00 ppm1 3.813 ppm2 9.204 ASSI ( (( segid " " and resid 1527 and name HA )) )( (( segid " " and resid 1649 and name HB1 )) ) 5.000 5.000 0.000 peak 9443 weight 0.10000E+01 volume -0.56900E+00 ppm1 3.813 ppm2 3.215 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1531 and name HB2 )) ) 5.000 5.000 0.000 peak 9450 weight 0.10000E+01 volume 0.11790E+01 ppm1 1.510 ppm2 1.931 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1648 and name HB1 )) ) 3.300 3.300 0.000 peak 6210 weight 0.10000E+01 volume 0.24130E+01 ppm1 1.508 ppm2 2.176 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1648 and name HG1 )) ) 5.000 5.000 0.000 peak 6219 weight 0.10000E+01 volume 0.78200E+00 ppm1 1.503 ppm2 2.373 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1649 and name HA )) ) 3.300 3.300 0.000 peak 6335 weight 0.10000E+01 volume 0.19720E+01 ppm1 1.504 ppm2 4.254 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1649 and name HN )) ) 5.000 5.000 0.000 peak 5223 weight 0.10000E+01 volume 0.63500E+00 ppm1 1.507 ppm2 7.447 ASSI ( (( segid " " and resid 1528 and name HB1 )) )( (( segid " " and resid 1529 and name HN )) ) 5.000 5.000 0.000 peak 5218 weight 0.10000E+01 volume 0.66500E+00 ppm1 2.063 ppm2 8.183 ASSI ( (( segid " " and resid 1528 and name HB2 )) )( (( segid " " and resid 1529 and name HN )) ) 5.000 5.000 0.000 peak 5219 weight 0.10000E+01 volume 0.56400E+00 ppm1 1.890 ppm2 8.184 ASSI ( (( segid " " and resid 1528 and name HG2 )) OR (( segid " " and resid 1528 and name HG1 )) )( (( segid " " and resid 1529 and name HN )) ) 5.000 5.000 0.000 peak 6031 weight 0.10000E+01 volume 0.30800E+00 ppm1 2.226 ppm2 8.166 ASSI ( (( segid " " and resid 1529 and name HA )) )( (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) ) 3.300 3.300 0.000 peak 6144 weight 0.10000E+01 volume -0.15870E+01 ppm1 3.792 ppm2 1.195 ASSI ( (( segid " " and resid 1529 and name HA )) )( (( segid " " and resid 1532 and name HN )) ) 5.000 5.000 0.000 peak 9425 weight 0.10000E+01 volume -0.31000E+00 ppm1 3.785 ppm2 8.412 ASSI ( (( segid " " and resid 1529 and name HB )) )( (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) ) 3.300 3.300 0.000 peak 9436 weight 0.10000E+01 volume -0.21860E+01 ppm1 4.119 ppm2 1.088 ASSI ( (( segid " " and resid 1529 and name HB )) )( (( segid " " and resid 1529 and name HA )) ) 5.000 5.000 0.000 peak 9431 weight 0.10000E+01 volume -0.43700E+00 ppm1 4.117 ppm2 3.810 ASSI ( (( segid " " and resid 1529 and name HB )) )( (( segid " " and resid 1530 and name HN )) ) 5.000 5.000 0.000 peak 6348 weight 0.10000E+01 volume -0.57800E+00 ppm1 4.117 ppm2 7.175 ASSI ( (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) )( (( segid " " and resid 1530 and name HA )) ) 5.000 5.000 0.000 peak 9438 weight 0.10000E+01 volume 0.71100E+00 ppm1 1.204 ppm2 2.721 ASSI ( (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) )( (( segid " " and resid 1530 and name HN )) ) 5.000 5.000 0.000 peak 5988 weight 0.10000E+01 volume 0.69300E+00 ppm1 1.206 ppm2 7.176 ASSI ( (( segid " " and resid 1530 and name HA )) )( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) ) 5.000 5.000 0.000 peak 6002 weight 0.10000E+01 volume -0.46000E+00 ppm1 2.735 ppm2 1.984 ASSI ( (( segid " " and resid 1530 and name HA )) )( (( segid " " and resid 1530 and name HG1 )) ) 5.000 5.000 0.000 peak 5997 weight 0.10000E+01 volume -0.96100E+00 ppm1 2.729 ppm2 0.544 ASSI ( (( segid " " and resid 1530 and name HA )) )( (( segid " " and resid 1530 and name HG2 )) ) 5.000 5.000 0.000 peak 5998 weight 0.10000E+01 volume -0.70600E+00 ppm1 2.734 ppm2 0.128 ASSI ( (( segid " " and resid 1530 and name HA )) )( (( segid " " and resid 1530 and name HN )) ) 5.000 5.000 0.000 peak 5985 weight 0.10000E+01 volume -0.10420E+01 ppm1 2.730 ppm2 7.176 ASSI ( (( segid " " and resid 1530 and name HA )) )( (( segid " " and resid 1531 and name HN )) ) 5.000 5.000 0.000 peak 6003 weight 0.10000E+01 volume -0.33800E+00 ppm1 2.729 ppm2 8.164 ASSI ( (( segid " " and resid 1530 and name HA )) )( (( segid " " and resid 1533 and name HB )) ) 5.000 5.000 0.000 peak 5995 weight 0.10000E+01 volume -0.57800E+00 ppm1 2.725 ppm2 3.562 ASSI ( (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) )( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) ) 3.300 3.300 0.000 peak 6006 weight 0.10000E+01 volume 0.16640E+01 ppm1 1.179 ppm2 1.973 ASSI ( (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) )( (( segid " " and resid 1530 and name HG2 )) ) 3.300 3.300 0.000 peak 6004 weight 0.10000E+01 volume 0.21670E+01 ppm1 1.177 ppm2 0.137 ASSI ( (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) )( (( segid " " and resid 1531 and name HN )) ) 5.000 5.000 0.000 peak 6008 weight 0.10000E+01 volume 0.48000E+00 ppm1 1.175 ppm2 8.167 ASSI ( (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) )( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) ) 6.000 6.000 0.000 peak 9415 weight 0.10000E+01 volume 0.24100E+00 ppm1 1.180 ppm2 6.582 ASSI ( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) )( (( segid " " and resid 1530 and name HE )) ) 5.000 5.000 0.000 peak 5022 weight 0.10000E+01 volume 0.76900E+00 ppm1 1.976 ppm2 10.735 ASSI ( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) )( (( segid " " and resid 1530 and name HG1 )) ) 5.000 5.000 0.000 peak 6011 weight 0.10000E+01 volume 0.55800E+00 ppm1 1.979 ppm2 0.545 ASSI ( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) )( (( segid " " and resid 1530 and name HG2 )) ) 5.000 5.000 0.000 peak 6009 weight 0.10000E+01 volume 0.44500E+00 ppm1 1.974 ppm2 0.117 ASSI ( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) ) 5.000 5.000 0.000 peak 6012 weight 0.10000E+01 volume 0.76100E+00 ppm1 1.977 ppm2 0.736 ASSI ( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) )( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) ) 5.000 5.000 0.000 peak 6010 weight 0.10000E+01 volume 0.43400E+00 ppm1 1.976 ppm2 -0.205 ASSI ( (( segid " " and resid 1530 and name HG2 )) )( (( segid " " and resid 1530 and name HG1 )) ) 5.000 5.000 0.000 peak 5991 weight 0.10000E+01 volume 0.64700E+00 ppm1 0.138 ppm2 0.547 ASSI ( (( segid " " and resid 1530 and name HG1 )) )( (( segid " " and resid 1530 and name HN )) ) 5.000 5.000 0.000 peak 5989 weight 0.10000E+01 volume 0.55800E+00 ppm1 0.555 ppm2 7.176 ASSI ( (( segid " " and resid 1530 and name HG2 )) )( (( segid " " and resid 1530 and name HN )) ) 5.000 5.000 0.000 peak 5990 weight 0.10000E+01 volume 0.39900E+00 ppm1 0.131 ppm2 7.176 ASSI ( (( segid " " and resid 1531 and name HA )) )( (( segid " " and resid 1531 and name HB2 )) ) 5.000 5.000 0.000 peak 9367 weight 0.10000E+01 volume -0.12380E+01 ppm1 3.846 ppm2 1.932 ASSI ( (( segid " " and resid 1531 and name HA )) )( (( segid " " and resid 1531 and name HG1 )) ) 5.000 5.000 0.000 peak 9368 weight 0.10000E+01 volume -0.59100E+00 ppm1 3.848 ppm2 1.531 ASSI ( (( segid " " and resid 1531 and name HA )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 5.000 5.000 0.000 peak 9370 weight 0.10000E+01 volume -0.39800E+00 ppm1 3.846 ppm2 6.882 ASSI ( (( segid " " and resid 1531 and name HA )) )( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) ) 5.000 5.000 0.000 peak 5099 weight 0.10000E+01 volume -0.99900E+00 ppm1 3.845 ppm2 6.580 ASSI ( (( segid " " and resid 1531 and name HB1 )) )( (( segid " " and resid 1531 and name HG2 )) ) 5.000 5.000 0.000 peak 9380 weight 0.10000E+01 volume 0.82300E+00 ppm1 1.995 ppm2 1.336 ASSI ( (( segid " " and resid 1531 and name HB1 )) )( (( segid " " and resid 1531 and name HN )) ) 5.000 5.000 0.000 peak 9376 weight 0.10000E+01 volume 0.12970E+01 ppm1 1.994 ppm2 8.162 ASSI ( (( segid " " and resid 1531 and name HB2 )) )( (( segid " " and resid 1531 and name HN )) ) 3.300 3.300 0.000 peak 9375 weight 0.10000E+01 volume 0.22180E+01 ppm1 1.926 ppm2 8.167 ASSI ( (( segid " " and resid 1531 and name HD1 )) )( (( segid " " and resid 1531 and name HA )) ) 5.000 5.000 0.000 peak 9398 weight 0.10000E+01 volume 0.57600E+00 ppm1 1.635 ppm2 3.838 ASSI ( (( segid " " and resid 1531 and name HD2 )) )( (( segid " " and resid 1531 and name HA )) ) 5.000 5.000 0.000 peak 9399 weight 0.10000E+01 volume 0.45500E+00 ppm1 1.567 ppm2 3.843 ASSI ( (( segid " " and resid 1531 and name HD1 )) )( (( segid " " and resid 1531 and name HE2 )) ) 5.000 5.000 0.000 peak 9397 weight 0.10000E+01 volume 0.14590E+01 ppm1 1.637 ppm2 2.716 ASSI ( (( segid " " and resid 1531 and name HE2 )) )( (( segid " " and resid 1531 and name HG2 )) ) 5.000 5.000 0.000 peak 9405 weight 0.10000E+01 volume 0.60800E+00 ppm1 2.714 ppm2 1.336 ASSI ( (( segid " " and resid 1531 and name HE2 )) )( (( segid " " and resid 1653 and name HA )) ) 5.000 5.000 0.000 peak 9355 weight 0.10000E+01 volume 0.55000E+00 ppm1 2.719 ppm2 3.814 ASSI ( (( segid " " and resid 1531 and name HG2 )) )( (( segid " " and resid 1531 and name HA )) ) 5.000 5.000 0.000 peak 9388 weight 0.10000E+01 volume 0.81700E+00 ppm1 1.350 ppm2 3.827 ASSI ( (( segid " " and resid 1531 and name HG2 )) )( (( segid " " and resid 1531 and name HB2 )) ) 5.000 5.000 0.000 peak 9396 weight 0.10000E+01 volume 0.99600E+00 ppm1 1.352 ppm2 1.929 ASSI ( (( segid " " and resid 1531 and name HG1 )) )( (( segid " " and resid 1531 and name HE2 )) ) 5.000 5.000 0.000 peak 9390 weight 0.10000E+01 volume 0.46400E+00 ppm1 1.510 ppm2 2.714 ASSI ( (( segid " " and resid 1532 and name HA )) )( (( segid " " and resid 1532 and name HG1 )) ) 5.000 5.000 0.000 peak 9350 weight 0.10000E+01 volume -0.55900E+00 ppm1 3.809 ppm2 2.523 ASSI ( (( segid " " and resid 1532 and name HA )) )( (( segid " " and resid 1532 and name HG2 )) ) 5.000 5.000 0.000 peak 9351 weight 0.10000E+01 volume -0.90500E+00 ppm1 3.810 ppm2 2.325 ASSI ( (( segid " " and resid 1532 and name HA )) )( (( segid " " and resid 1532 and name HN )) ) 5.000 5.000 0.000 peak 5296 weight 0.10000E+01 volume -0.94200E+00 ppm1 3.811 ppm2 8.414 ASSI ( (( segid " " and resid 1532 and name HA )) )( (( segid " " and resid 1535 and name HN )) ) 5.000 5.000 0.000 peak 9347 weight 0.10000E+01 volume -0.37500E+00 ppm1 3.805 ppm2 7.719 ASSI ( (( segid " " and resid 1532 and name HB1 )) )( (( segid " " and resid 1532 and name HN )) ) 5.000 5.000 0.000 peak 9357 weight 0.10000E+01 volume 0.14480E+01 ppm1 2.098 ppm2 8.411 ASSI ( (( segid " " and resid 1532 and name HB2 )) )( (( segid " " and resid 1532 and name HN )) ) 5.000 5.000 0.000 peak 9356 weight 0.10000E+01 volume 0.10810E+01 ppm1 2.009 ppm2 8.418 ASSI ( (( segid " " and resid 1532 and name HB1 )) )( (( segid " " and resid 1533 and name HN )) ) 5.000 5.000 0.000 peak 9245 weight 0.10000E+01 volume 0.39400E+00 ppm1 2.098 ppm2 7.226 ASSI ( (( segid " " and resid 1532 and name HB2 )) )( (( segid " " and resid 1533 and name HN )) ) 5.000 5.000 0.000 peak 9246 weight 0.10000E+01 volume 0.54300E+00 ppm1 2.002 ppm2 7.226 ASSI ( (( segid " " and resid 1532 and name HG1 )) )( (( segid " " and resid 1532 and name HN )) ) 5.000 5.000 0.000 peak 5967 weight 0.10000E+01 volume 0.93800E+00 ppm1 2.519 ppm2 8.412 ASSI ( (( segid " " and resid 1532 and name HG2 )) )( (( segid " " and resid 1532 and name HN )) ) 5.000 5.000 0.000 peak 5969 weight 0.10000E+01 volume 0.45900E+00 ppm1 2.342 ppm2 8.414 ASSI ( (( segid " " and resid 1533 and name HA )) )( (( segid " " and resid 1533 and name HN )) ) 5.000 5.000 0.000 peak 9318 weight 0.10000E+01 volume -0.51000E+00 ppm1 3.735 ppm2 7.226 ASSI ( (( segid " " and resid 1533 and name HA )) )( (( segid " " and resid 1536 and name HD2 )) OR (( segid " " and resid 1536 and name HD1 )) ) 5.000 5.000 0.000 peak 9325 weight 0.10000E+01 volume -0.74100E+00 ppm1 3.739 ppm2 1.780 ASSI ( (( segid " " and resid 1533 and name HA )) )( (( segid " " and resid 1536 and name HG1 )) ) 5.000 5.000 0.000 peak 9324 weight 0.10000E+01 volume -0.10460E+01 ppm1 3.739 ppm2 2.029 ASSI ( (( segid " " and resid 1533 and name HA )) )( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) ) 3.300 3.300 0.000 peak 9333 weight 0.10000E+01 volume -0.19100E+01 ppm1 3.554 ppm2 1.138 ASSI ( (( segid " " and resid 1533 and name HA )) )( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) ) 6.000 6.000 0.000 peak 9335 weight 0.10000E+01 volume -0.28600E+00 ppm1 3.556 ppm2 1.359 ASSI ( (( segid " " and resid 1533 and name HA )) )( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) ) 5.000 5.000 0.000 peak 7403 weight 0.10000E+01 volume -0.63600E+00 ppm1 3.550 ppm2 0.954 ASSI ( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) )( (( segid " " and resid 1533 and name HB )) ) 3.300 3.300 0.000 peak 9337 weight 0.10000E+01 volume 0.18010E+01 ppm1 1.137 ppm2 3.559 ASSI ( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) )( (( segid " " and resid 1536 and name HD2 )) OR (( segid " " and resid 1536 and name HD1 )) ) 5.000 5.000 0.000 peak 9339 weight 0.10000E+01 volume 0.12310E+01 ppm1 1.137 ppm2 1.782 ASSI ( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) )( (( segid " " and resid 1626 and name HE3 )) ) 5.000 5.000 0.000 peak 6961 weight 0.10000E+01 volume 0.10470E+01 ppm1 1.136 ppm2 7.646 ASSI ( (( segid " " and resid 1534 and name HA )) )( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) ) 5.000 5.000 0.000 peak 9296 weight 0.10000E+01 volume -0.57600E+00 ppm1 3.854 ppm2 1.158 ASSI ( (( segid " " and resid 1534 and name HA )) )( (( segid " " and resid 1535 and name HN )) ) 6.000 6.000 0.000 peak 9293 weight 0.10000E+01 volume -0.28200E+00 ppm1 3.854 ppm2 7.701 ASSI ( (( segid " " and resid 1534 and name HA )) )( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 5.000 5.000 0.000 peak 9298 weight 0.10000E+01 volume -0.13540E+01 ppm1 3.853 ppm2 0.692 ASSI ( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) )( (( segid " " and resid 1531 and name HE2 )) ) 5.000 5.000 0.000 peak 9307 weight 0.10000E+01 volume 0.37900E+00 ppm1 1.362 ppm2 2.721 ASSI ( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) )( (( segid " " and resid 1533 and name HN )) ) 5.000 5.000 0.000 peak 9305 weight 0.10000E+01 volume 0.38800E+00 ppm1 1.367 ppm2 7.224 ASSI ( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) )( (( segid " " and resid 1534 and name HA )) ) 2.700 2.700 0.000 peak 9299 weight 0.10000E+01 volume 0.39000E+01 ppm1 1.365 ppm2 3.856 ASSI ( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 5.000 5.000 0.000 peak 9304 weight 0.10000E+01 volume 0.34700E+00 ppm1 1.359 ppm2 6.880 ASSI ( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) )( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) ) 3.300 3.300 0.000 peak 9301 weight 0.10000E+01 volume 0.19790E+01 ppm1 1.364 ppm2 6.581 ASSI ( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) )( (( segid " " and resid 1649 and name HZ )) ) 3.300 3.300 0.000 peak 9302 weight 0.10000E+01 volume 0.17320E+01 ppm1 1.364 ppm2 6.675 ASSI ( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) ) 3.300 3.300 0.000 peak 9308 weight 0.10000E+01 volume 0.23440E+01 ppm1 1.364 ppm2 0.594 ASSI ( (( segid " " and resid 1535 and name HB1 )) )( (( segid " " and resid 1532 and name HA )) ) 5.000 5.000 0.000 peak 9286 weight 0.10000E+01 volume 0.38800E+00 ppm1 3.337 ppm2 3.807 ASSI ( (( segid " " and resid 1535 and name HB2 )) )( (( segid " " and resid 1532 and name HA )) ) 5.000 5.000 0.000 peak 9288 weight 0.10000E+01 volume 0.46000E+00 ppm1 2.713 ppm2 3.811 ASSI ( (( segid " " and resid 1535 and name HB1 )) )( (( segid " " and resid 1535 and name HA )) ) 5.000 5.000 0.000 peak 9289 weight 0.10000E+01 volume 0.80100E+00 ppm1 3.335 ppm2 4.564 ASSI ( (( segid " " and resid 1535 and name HB2 )) )( (( segid " " and resid 1535 and name HA )) ) 5.000 5.000 0.000 peak 9291 weight 0.10000E+01 volume 0.61000E+00 ppm1 2.715 ppm2 4.578 ASSI ( (( segid " " and resid 1535 and name HB1 )) )( (( segid " " and resid 1658 and name HB1 )) ) 5.000 5.000 0.000 peak 5109 weight 0.10000E+01 volume 0.89000E+00 ppm1 3.335 ppm2 3.163 ASSI ( (( segid " " and resid 1535 and name HB2 )) )( (( segid " " and resid 1658 and name HB1 )) ) 5.000 5.000 0.000 peak 5306 weight 0.10000E+01 volume 0.55600E+00 ppm1 2.709 ppm2 3.164 ASSI ( (( segid " " and resid 1536 and name HA )) )( (( segid " " and resid 1537 and name HD2 )) OR (( segid " " and resid 1537 and name HD1 )) ) 2.700 2.700 0.000 peak 9266 weight 0.10000E+01 volume -0.39460E+01 ppm1 4.420 ppm2 3.854 ASSI ( (( segid " " and resid 1536 and name HB1 )) )( (( segid " " and resid 1536 and name HA )) ) 5.000 5.000 0.000 peak 9268 weight 0.10000E+01 volume 0.61300E+00 ppm1 2.043 ppm2 4.427 ASSI ( (( segid " " and resid 1536 and name HB1 )) )( (( segid " " and resid 1536 and name HN )) ) 5.000 5.000 0.000 peak 5947 weight 0.10000E+01 volume 0.61500E+00 ppm1 2.048 ppm2 7.572 ASSI ( (( segid " " and resid 1536 and name HB1 )) )( (( segid " " and resid 1538 and name HN )) ) 5.000 5.000 0.000 peak 9269 weight 0.10000E+01 volume 0.42800E+00 ppm1 2.036 ppm2 8.859 ASSI ( (( segid " " and resid 1536 and name HB1 )) )( (( segid " " and resid 1539 and name HN )) ) 5.000 5.000 0.000 peak 5919 weight 0.10000E+01 volume 0.34000E+00 ppm1 2.026 ppm2 7.369 ASSI ( (( segid " " and resid 1536 and name HG1 )) )( (( segid " " and resid 1536 and name HA )) ) 5.000 5.000 0.000 peak 8171 weight 0.10000E+01 volume 0.37700E+00 ppm1 2.031 ppm2 4.405 ASSI ( (( segid " " and resid 1536 and name HG2 )) )( (( segid " " and resid 1536 and name HA )) ) 5.000 5.000 0.000 peak 8781 weight 0.10000E+01 volume 0.70600E+00 ppm1 1.655 ppm2 4.421 ASSI ( (( segid " " and resid 1536 and name HG1 )) )( (( segid " " and resid 1536 and name HE2 )) OR (( segid " " and resid 1536 and name HE1 )) ) 5.000 5.000 0.000 peak 9277 weight 0.10000E+01 volume 0.31100E+00 ppm1 2.035 ppm2 3.016 ASSI ( (( segid " " and resid 1536 and name HG1 )) )( (( segid " " and resid 1536 and name HG2 )) ) 3.300 3.300 0.000 peak 9279 weight 0.10000E+01 volume 0.26820E+01 ppm1 2.034 ppm2 1.641 ASSI ( (( segid " " and resid 1536 and name HG1 )) )( (( segid " " and resid 1536 and name HN )) ) 5.000 5.000 0.000 peak 5945 weight 0.10000E+01 volume 0.46000E+00 ppm1 2.032 ppm2 7.572 ASSI ( (( segid " " and resid 1537 and name HA )) )( (( segid " " and resid 1537 and name HB1 )) ) 3.300 3.300 0.000 peak 9222 weight 0.10000E+01 volume -0.20240E+01 ppm1 4.261 ppm2 2.326 ASSI ( (( segid " " and resid 1537 and name HA )) )( (( segid " " and resid 1537 and name HB2 )) ) 5.000 5.000 0.000 peak 9224 weight 0.10000E+01 volume -0.11600E+01 ppm1 4.256 ppm2 1.880 ASSI ( (( segid " " and resid 1537 and name HA )) )( (( segid " " and resid 1537 and name HG2 )) ) 5.000 5.000 0.000 peak 9223 weight 0.10000E+01 volume -0.91200E+00 ppm1 4.260 ppm2 2.039 ASSI ( (( segid " " and resid 1537 and name HA )) )( (( segid " " and resid 1538 and name HN )) ) 5.000 5.000 0.000 peak 9230 weight 0.10000E+01 volume -0.49900E+00 ppm1 4.261 ppm2 8.892 ASSI ( (( segid " " and resid 1537 and name HB2 )) )( (( segid " " and resid 1537 and name HB1 )) ) 2.700 2.700 0.000 peak 9239 weight 0.10000E+01 volume 0.66590E+01 ppm1 1.896 ppm2 2.324 ASSI ( (( segid " " and resid 1537 and name HB1 )) )( (( segid " " and resid 1537 and name HD2 )) OR (( segid " " and resid 1537 and name HD1 )) ) 5.000 5.000 0.000 peak 9237 weight 0.10000E+01 volume 0.91300E+00 ppm1 2.334 ppm2 3.855 ASSI ( (( segid " " and resid 1537 and name HB1 )) )( (( segid " " and resid 1537 and name HG2 )) OR (( segid " " and resid 1537 and name HG1 )) ) 2.700 2.700 0.000 peak 9244 weight 0.10000E+01 volume 0.45920E+01 ppm1 2.334 ppm2 2.078 ASSI ( (( segid " " and resid 1537 and name HB1 )) )( (( segid " " and resid 1538 and name HN )) ) 6.000 6.000 0.000 peak 9236 weight 0.10000E+01 volume 0.26700E+00 ppm1 2.334 ppm2 8.859 ASSI ( (( segid " " and resid 1537 and name HD1 )) )( (( segid " " and resid 1537 and name HB1 )) ) 5.000 5.000 0.000 peak 9263 weight 0.10000E+01 volume -0.44200E+00 ppm1 3.881 ppm2 2.327 ASSI ( (( segid " " and resid 1537 and name HD1 )) )( (( segid " " and resid 1537 and name HB2 )) ) 5.000 5.000 0.000 peak 9255 weight 0.10000E+01 volume -0.95800E+00 ppm1 3.879 ppm2 1.880 ASSI ( (( segid " " and resid 1537 and name HD2 )) )( (( segid " " and resid 1537 and name HB2 )) ) 5.000 5.000 0.000 peak 9256 weight 0.10000E+01 volume -0.77700E+00 ppm1 3.816 ppm2 1.880 ASSI ( (( segid " " and resid 1537 and name HD2 )) )( (( segid " " and resid 1538 and name HN )) ) 5.000 5.000 0.000 peak 9265 weight 0.10000E+01 volume -0.42400E+00 ppm1 3.828 ppm2 8.858 ASSI ( (( segid " " and resid 1537 and name HG1 )) )( (( segid " " and resid 1537 and name HA )) ) 5.000 5.000 0.000 peak 9247 weight 0.10000E+01 volume 0.71400E+00 ppm1 2.134 ppm2 4.255 ASSI ( (( segid " " and resid 1538 and name HB1 )) )( (( segid " " and resid 1538 and name HN )) ) 5.000 5.000 0.000 peak 5944 weight 0.10000E+01 volume 0.60900E+00 ppm1 2.039 ppm2 8.897 ASSI ( (( segid " " and resid 1538 and name HB2 )) )( (( segid " " and resid 1538 and name HN )) ) 5.000 5.000 0.000 peak 6202 weight 0.10000E+01 volume 0.67200E+00 ppm1 1.953 ppm2 8.903 ASSI ( (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) )( (( segid " " and resid 1538 and name HN )) ) 5.000 5.000 0.000 peak 8241 weight 0.10000E+01 volume 0.64700E+00 ppm1 2.274 ppm2 8.878 ASSI ( (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) )( (( segid " " and resid 1539 and name HG11)) ) 5.000 5.000 0.000 peak 9221 weight 0.10000E+01 volume 0.82000E+00 ppm1 2.282 ppm2 1.633 ASSI ( (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) )( (( segid " " and resid 1539 and name HG12)) ) 5.000 5.000 0.000 peak 9219 weight 0.10000E+01 volume 0.49600E+00 ppm1 2.280 ppm2 1.234 ASSI ( (( segid " " and resid 1539 and name HA )) )( (( segid " " and resid 1539 and name HB )) ) 5.000 5.000 0.000 peak 9157 weight 0.10000E+01 volume -0.46300E+00 ppm1 3.928 ppm2 2.198 ASSI ( (( segid " " and resid 1539 and name HA )) )( (( segid " " and resid 1539 and name HG11)) ) 5.000 5.000 0.000 peak 9158 weight 0.10000E+01 volume -0.62000E+00 ppm1 3.923 ppm2 1.630 ASSI ( (( segid " " and resid 1539 and name HA )) )( (( segid " " and resid 1539 and name HG12)) ) 5.000 5.000 0.000 peak 9165 weight 0.10000E+01 volume -0.38400E+00 ppm1 3.926 ppm2 1.224 ASSI ( (( segid " " and resid 1539 and name HA )) )( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 5.000 5.000 0.000 peak 9166 weight 0.10000E+01 volume -0.12060E+01 ppm1 3.924 ppm2 0.692 ASSI ( (( segid " " and resid 1539 and name HB )) )( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) ) 5.000 5.000 0.000 peak 9178 weight 0.10000E+01 volume 0.33100E+00 ppm1 2.207 ppm2 0.528 ASSI ( (( segid " " and resid 1539 and name HB )) )( (( segid " " and resid 1539 and name HG11)) ) 5.000 5.000 0.000 peak 9172 weight 0.10000E+01 volume 0.10240E+01 ppm1 2.212 ppm2 1.598 ASSI ( (( segid " " and resid 1539 and name HB )) )( (( segid " " and resid 1539 and name HG12)) ) 5.000 5.000 0.000 peak 9176 weight 0.10000E+01 volume 0.85400E+00 ppm1 2.209 ppm2 1.211 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1539 and name HG11)) ) 3.300 3.300 0.000 peak 9201 weight 0.10000E+01 volume 0.19730E+01 ppm1 0.509 ppm2 1.609 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1540 and name HN )) ) 5.000 5.000 0.000 peak 5317 weight 0.10000E+01 volume 0.49200E+00 ppm1 0.510 ppm2 8.754 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1604 and name HA )) ) 5.000 5.000 0.000 peak 9196 weight 0.10000E+01 volume 0.69100E+00 ppm1 0.509 ppm2 4.652 ASSI ( (( segid " " and resid 1539 and name HG11)) )( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 5.000 5.000 0.000 peak 9182 weight 0.10000E+01 volume 0.85500E+00 ppm1 1.602 ppm2 0.693 ASSI ( (( segid " " and resid 1539 and name HG11)) )( (( segid " " and resid 1539 and name HN )) ) 5.000 5.000 0.000 peak 5921 weight 0.10000E+01 volume 0.30800E+00 ppm1 1.598 ppm2 7.375 ASSI ( (( segid " " and resid 1539 and name HG12)) )( (( segid " " and resid 1539 and name HN )) ) 5.000 5.000 0.000 peak 5922 weight 0.10000E+01 volume 0.32600E+00 ppm1 1.219 ppm2 7.375 ASSI ( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) )( (( segid " " and resid 1539 and name HB )) ) 3.300 3.300 0.000 peak 9187 weight 0.10000E+01 volume 0.20910E+01 ppm1 0.710 ppm2 2.194 ASSI ( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) )( (( segid " " and resid 1539 and name HN )) ) 5.000 5.000 0.000 peak 5051 weight 0.10000E+01 volume 0.38200E+00 ppm1 0.710 ppm2 7.375 ASSI ( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) )( (( segid " " and resid 1603 and name HN )) ) 5.000 5.000 0.000 peak 5319 weight 0.10000E+01 volume 0.39400E+00 ppm1 0.711 ppm2 5.626 ASSI ( (( segid " " and resid 1540 and name HA )) )( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 2.700 2.700 0.000 peak 9133 weight 0.10000E+01 volume -0.34720E+01 ppm1 4.392 ppm2 1.631 ASSI ( (( segid " " and resid 1540 and name HA )) )( (( segid " " and resid 1540 and name HN )) ) 5.000 5.000 0.000 peak 9130 weight 0.10000E+01 volume -0.95600E+00 ppm1 4.391 ppm2 8.753 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1540 and name HN )) ) 5.000 5.000 0.000 peak 5025 weight 0.10000E+01 volume 0.13140E+01 ppm1 1.623 ppm2 8.744 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1541 and name HD1 )) ) 5.000 5.000 0.000 peak 5029 weight 0.10000E+01 volume 0.61700E+00 ppm1 1.624 ppm2 6.730 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1541 and name HD2 )) ) 5.000 5.000 0.000 peak 5030 weight 0.10000E+01 volume 0.33400E+00 ppm1 1.625 ppm2 5.447 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1541 and name HN )) ) 5.000 5.000 0.000 peak 5028 weight 0.10000E+01 volume 0.66000E+00 ppm1 1.626 ppm2 6.939 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1606 and name HN )) ) 5.000 5.000 0.000 peak 5027 weight 0.10000E+01 volume 0.32400E+00 ppm1 1.629 ppm2 7.538 ASSI ( (( segid " " and resid 1541 and name HB1 )) )( (( segid " " and resid 1541 and name HA )) ) 5.000 5.000 0.000 peak 4537 weight 0.10000E+01 volume 0.75700E+00 ppm1 2.619 ppm2 4.552 ASSI ( (( segid " " and resid 1541 and name HB2 )) )( (( segid " " and resid 1541 and name HA )) ) 5.000 5.000 0.000 peak 4536 weight 0.10000E+01 volume 0.87300E+00 ppm1 2.541 ppm2 4.551 ASSI ( (( segid " " and resid 1541 and name HB1 )) )( (( segid " " and resid 1541 and name HD1 )) ) 5.000 5.000 0.000 peak 9129 weight 0.10000E+01 volume 0.38300E+00 ppm1 2.600 ppm2 6.732 ASSI ( (( segid " " and resid 1541 and name HB2 )) )( (( segid " " and resid 1541 and name HD1 )) ) 5.000 5.000 0.000 peak 9127 weight 0.10000E+01 volume 0.44200E+00 ppm1 2.540 ppm2 6.730 ASSI ( (( segid " " and resid 1541 and name HB2 )) OR (( segid " " and resid 1541 and name HB1 )) )( (( segid " " and resid 1542 and name HN )) ) 5.000 5.000 0.000 peak 4539 weight 0.10000E+01 volume 0.68500E+00 ppm1 2.564 ppm2 8.090 ASSI ( (( segid " " and resid 1541 and name HD2 )) )( (( segid " " and resid 1541 and name HB1 )) ) 5.000 5.000 0.000 peak 7118 weight 0.10000E+01 volume -0.50000E+00 ppm1 5.443 ppm2 2.606 ASSI ( (( segid " " and resid 1541 and name HE2 )) )( (( segid " " and resid 1541 and name HD2 )) ) 5.000 5.000 0.000 peak 5047 weight 0.10000E+01 volume 0.32700E+00 ppm1 6.150 ppm2 5.445 ASSI ( (( segid " " and resid 1541 and name HE2 )) )( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) ) 5.000 5.000 0.000 peak 5031 weight 0.10000E+01 volume 0.57000E+00 ppm1 6.147 ppm2 0.856 ASSI ( (( segid " " and resid 1542 and name HA )) )( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) ) 3.300 3.300 0.000 peak 9118 weight 0.10000E+01 volume -0.15060E+01 ppm1 5.098 ppm2 1.387 ASSI ( (( segid " " and resid 1542 and name HA )) )( (( segid " " and resid 1602 and name HG1 )) ) 5.000 5.000 0.000 peak 9116 weight 0.10000E+01 volume -0.71700E+00 ppm1 5.101 ppm2 2.422 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1542 and name HN )) ) 5.000 5.000 0.000 peak 8289 weight 0.10000E+01 volume 0.88200E+00 ppm1 1.392 ppm2 8.101 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1543 and name HN )) ) 5.000 5.000 0.000 peak 4128 weight 0.10000E+01 volume 0.47500E+00 ppm1 1.395 ppm2 9.716 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1567 and name HB1 )) ) 5.000 5.000 0.000 peak 8331 weight 0.10000E+01 volume 0.86100E+00 ppm1 1.394 ppm2 3.205 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 8291 weight 0.10000E+01 volume 0.14660E+01 ppm1 1.395 ppm2 6.655 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1568 and name HN )) ) 5.000 5.000 0.000 peak 5652 weight 0.10000E+01 volume 0.75300E+00 ppm1 1.394 ppm2 7.966 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1602 and name HG1 )) ) 3.300 3.300 0.000 peak 9704 weight 0.10000E+01 volume 0.15340E+01 ppm1 1.397 ppm2 2.425 ASSI ( (( segid " " and resid 1543 and name HA )) )( (( segid " " and resid 1543 and name HB1 )) ) 5.000 5.000 0.000 peak 4523 weight 0.10000E+01 volume -0.75700E+00 ppm1 5.730 ppm2 3.266 ASSI ( (( segid " " and resid 1543 and name HA )) )( (( segid " " and resid 1543 and name HB2 )) ) 5.000 5.000 0.000 peak 4524 weight 0.10000E+01 volume -0.52700E+00 ppm1 5.734 ppm2 2.969 ASSI ( (( segid " " and resid 1543 and name HA )) )( (( segid " " and resid 1544 and name HN )) ) 3.300 3.300 0.000 peak 3276 weight 0.10000E+01 volume -0.18920E+01 ppm1 5.726 ppm2 8.524 ASSI ( (( segid " " and resid 1543 and name HA )) )( (( segid " " and resid 1566 and name HA )) ) 5.000 5.000 0.000 peak 4522 weight 0.10000E+01 volume -0.83100E+00 ppm1 5.730 ppm2 4.157 ASSI ( (( segid " " and resid 1543 and name HB2 )) )( (( segid " " and resid 1543 and name HB1 )) ) 3.300 3.300 0.000 peak 4527 weight 0.10000E+01 volume 0.15710E+01 ppm1 2.981 ppm2 3.273 ASSI ( (( segid " " and resid 1543 and name HB1 )) )( (( segid " " and resid 1544 and name HN )) ) 5.000 5.000 0.000 peak 4535 weight 0.10000E+01 volume 0.62600E+00 ppm1 3.281 ppm2 8.512 ASSI ( (( segid " " and resid 1543 and name HB1 )) )( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) ) 5.000 5.000 0.000 peak 4529 weight 0.10000E+01 volume 0.81300E+00 ppm1 3.286 ppm2 1.121 ASSI ( (( segid " " and resid 1543 and name HB2 )) )( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) ) 5.000 5.000 0.000 peak 4530 weight 0.10000E+01 volume 0.80700E+00 ppm1 2.979 ppm2 1.123 ASSI ( (( segid " " and resid 1543 and name HB1 )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 4531 weight 0.10000E+01 volume 0.89900E+00 ppm1 3.283 ppm2 0.103 ASSI ( (( segid " " and resid 1543 and name HB2 )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 4532 weight 0.10000E+01 volume 0.53600E+00 ppm1 2.977 ppm2 0.099 ASSI ( (( segid " " and resid 1544 and name HA )) )( (( segid " " and resid 1544 and name HB1 )) ) 5.000 5.000 0.000 peak 9053 weight 0.10000E+01 volume -0.95000E+00 ppm1 5.643 ppm2 2.031 ASSI ( (( segid " " and resid 1544 and name HA )) )( (( segid " " and resid 1544 and name HB2 )) ) 5.000 5.000 0.000 peak 9055 weight 0.10000E+01 volume -0.52600E+00 ppm1 5.648 ppm2 1.435 ASSI ( (( segid " " and resid 1544 and name HA )) )( (( segid " " and resid 1545 and name HN )) ) 5.000 5.000 0.000 peak 9052 weight 0.10000E+01 volume -0.14880E+01 ppm1 5.651 ppm2 9.358 ASSI ( (( segid " " and resid 1544 and name HB2 )) )( (( segid " " and resid 1544 and name HB1 )) ) 3.300 3.300 0.000 peak 9066 weight 0.10000E+01 volume 0.17310E+01 ppm1 1.420 ppm2 2.030 ASSI ( (( segid " " and resid 1544 and name HB1 )) )( (( segid " " and resid 1544 and name HN )) ) 5.000 5.000 0.000 peak 9073 weight 0.10000E+01 volume 0.59900E+00 ppm1 2.026 ppm2 8.534 ASSI ( (( segid " " and resid 1544 and name HD1 )) )( (( segid " " and resid 1544 and name HD2 )) ) 3.300 3.300 0.000 peak 9081 weight 0.10000E+01 volume 0.19990E+01 ppm1 0.753 ppm2 0.346 ASSI ( (( segid " " and resid 1544 and name HD1 )) )( (( segid " " and resid 1544 and name HE2 )) ) 5.000 5.000 0.000 peak 9085 weight 0.10000E+01 volume 0.36300E+00 ppm1 0.754 ppm2 1.090 ASSI ( (( segid " " and resid 1544 and name HE1 )) )( (( segid " " and resid 1544 and name HD2 )) ) 5.000 5.000 0.000 peak 9093 weight 0.10000E+01 volume 0.31200E+00 ppm1 1.382 ppm2 0.346 ASSI ( (( segid " " and resid 1544 and name HE2 )) )( (( segid " " and resid 1544 and name HD2 )) ) 5.000 5.000 0.000 peak 9095 weight 0.10000E+01 volume 0.49400E+00 ppm1 1.098 ppm2 0.346 ASSI ( (( segid " " and resid 1544 and name HE1 )) )( (( segid " " and resid 1544 and name HE2 )) ) 2.700 2.700 0.000 peak 9100 weight 0.10000E+01 volume 0.30850E+01 ppm1 1.384 ppm2 1.088 ASSI ( (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) )( (( segid " " and resid 1544 and name HD2 )) ) 5.000 5.000 0.000 peak 9079 weight 0.10000E+01 volume 0.83000E+00 ppm1 0.784 ppm2 0.345 ASSI ( (( segid " " and resid 1545 and name HA )) )( (( segid " " and resid 1545 and name HB )) ) 5.000 5.000 0.000 peak 9005 weight 0.10000E+01 volume -0.10330E+01 ppm1 5.694 ppm2 2.268 ASSI ( (( segid " " and resid 1545 and name HA )) )( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) ) 5.000 5.000 0.000 peak 9012 weight 0.10000E+01 volume -0.11560E+01 ppm1 5.696 ppm2 1.115 ASSI ( (( segid " " and resid 1545 and name HA )) )( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 9013 weight 0.10000E+01 volume -0.30400E+00 ppm1 5.699 ppm2 0.939 ASSI ( (( segid " " and resid 1545 and name HA )) )( (( segid " " and resid 1545 and name HN )) ) 5.000 5.000 0.000 peak 9001 weight 0.10000E+01 volume -0.30500E+00 ppm1 5.691 ppm2 9.355 ASSI ( (( segid " " and resid 1545 and name HA )) )( (( segid " " and resid 1563 and name HA )) ) 5.000 5.000 0.000 peak 9004 weight 0.10000E+01 volume -0.52200E+00 ppm1 5.693 ppm2 4.206 ASSI ( (( segid " " and resid 1545 and name HA )) )( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) ) 5.000 5.000 0.000 peak 9015 weight 0.10000E+01 volume -0.54100E+00 ppm1 5.693 ppm2 0.740 ASSI ( (( segid " " and resid 1545 and name HA )) )( (( segid " " and resid 1564 and name HN )) ) 5.000 5.000 0.000 peak 5692 weight 0.10000E+01 volume -0.74300E+00 ppm1 5.695 ppm2 8.721 ASSI ( (( segid " " and resid 1545 and name HB )) )( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 9016 weight 0.10000E+01 volume 0.11970E+01 ppm1 2.262 ppm2 0.915 ASSI ( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) )( (( segid " " and resid 1545 and name HN )) ) 5.000 5.000 0.000 peak 9044 weight 0.10000E+01 volume 0.84500E+00 ppm1 1.126 ppm2 9.367 ASSI ( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) )( (( segid " " and resid 1564 and name HN )) ) 5.000 5.000 0.000 peak 5693 weight 0.10000E+01 volume 0.50000E+00 ppm1 1.127 ppm2 8.728 ASSI ( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) )( (( segid " " and resid 1582 and name HZ )) ) 5.000 5.000 0.000 peak 5085 weight 0.10000E+01 volume 0.11450E+01 ppm1 1.126 ppm2 6.851 ASSI ( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 5.000 5.000 0.000 peak 9028 weight 0.10000E+01 volume 0.53000E+00 ppm1 1.127 ppm2 -0.050 ASSI ( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) )( (( segid " " and resid 1545 and name HN )) ) 5.000 5.000 0.000 peak 5770 weight 0.10000E+01 volume 0.94700E+00 ppm1 0.911 ppm2 9.354 ASSI ( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) )( (( segid " " and resid 1546 and name HN )) ) 5.000 5.000 0.000 peak 5881 weight 0.10000E+01 volume 0.53500E+00 ppm1 0.910 ppm2 8.512 ASSI ( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) )( (( segid " " and resid 1599 and name HB1 )) ) 5.000 5.000 0.000 peak 9047 weight 0.10000E+01 volume 0.52500E+00 ppm1 0.913 ppm2 2.870 ASSI ( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) )( (( segid " " and resid 1599 and name HN )) ) 5.000 5.000 0.000 peak 5354 weight 0.10000E+01 volume 0.60600E+00 ppm1 0.912 ppm2 8.789 ASSI ( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 5.000 5.000 0.000 peak 9046 weight 0.10000E+01 volume 0.14490E+01 ppm1 0.912 ppm2 -0.050 ASSI ( (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1546 and name HB1 )) ) 5.000 5.000 0.000 peak 8952 weight 0.10000E+01 volume -0.87700E+00 ppm1 5.333 ppm2 3.764 ASSI ( (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1546 and name HB2 )) ) 5.000 5.000 0.000 peak 8953 weight 0.10000E+01 volume -0.10410E+01 ppm1 5.333 ppm2 3.662 ASSI ( (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1598 and name HA )) ) 3.300 3.300 0.000 peak 8628 weight 0.10000E+01 volume -0.18520E+01 ppm1 5.335 ppm2 5.756 ASSI ( (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1598 and name HG1 )) ) 5.000 5.000 0.000 peak 8974 weight 0.10000E+01 volume -0.49600E+00 ppm1 5.341 ppm2 2.572 ASSI ( (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1598 and name HG2 )) ) 5.000 5.000 0.000 peak 8976 weight 0.10000E+01 volume -0.60500E+00 ppm1 5.334 ppm2 1.958 ASSI ( (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1599 and name HN )) ) 3.300 3.300 0.000 peak 7581 weight 0.10000E+01 volume -0.15790E+01 ppm1 5.336 ppm2 8.807 ASSI ( (( segid " " and resid 1546 and name HB2 )) )( (( segid " " and resid 1546 and name HN )) ) 5.000 5.000 0.000 peak 5876 weight 0.10000E+01 volume -0.52600E+00 ppm1 3.655 ppm2 8.514 ASSI ( (( segid " " and resid 1546 and name HB1 )) )( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) OR (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) ) 3.300 3.300 0.000 peak 8450 weight 0.10000E+01 volume -0.16040E+01 ppm1 3.769 ppm2 0.666 ASSI ( (( segid " " and resid 1546 and name HB2 )) )( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) OR (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) ) 3.300 3.300 0.000 peak 8451 weight 0.10000E+01 volume -0.18360E+01 ppm1 3.657 ppm2 0.665 ASSI ( (( segid " " and resid 1546 and name HB2 )) )( (( segid " " and resid 1598 and name HG2 )) ) 5.000 5.000 0.000 peak 7632 weight 0.10000E+01 volume -0.41400E+00 ppm1 3.659 ppm2 1.978 ASSI ( (( segid " " and resid 1547 and name HA )) )( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 5.000 5.000 0.000 peak 8890 weight 0.10000E+01 volume -0.11160E+01 ppm1 4.523 ppm2 0.594 ASSI ( (( segid " " and resid 1547 and name HA )) )( (( segid " " and resid 1561 and name HA )) ) 5.000 5.000 0.000 peak 8558 weight 0.10000E+01 volume -0.67300E+00 ppm1 4.515 ppm2 5.593 ASSI ( (( segid " " and resid 1547 and name HB )) )( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 5.000 5.000 0.000 peak 8891 weight 0.10000E+01 volume 0.41900E+00 ppm1 2.848 ppm2 0.593 ASSI ( (( segid " " and resid 1547 and name HB )) )( (( segid " " and resid 1547 and name HG12)) ) 5.000 5.000 0.000 peak 8896 weight 0.10000E+01 volume 0.75200E+00 ppm1 2.848 ppm2 1.286 ASSI ( (( segid " " and resid 1547 and name HB )) )( (( segid " " and resid 1547 and name HN )) ) 5.000 5.000 0.000 peak 5269 weight 0.10000E+01 volume 0.51100E+00 ppm1 2.842 ppm2 8.461 ASSI ( (( segid " " and resid 1547 and name HB )) )( (( segid " " and resid 1595 and name HA )) ) 5.000 5.000 0.000 peak 8899 weight 0.10000E+01 volume 0.61700E+00 ppm1 2.845 ppm2 3.712 ASSI ( (( segid " " and resid 1547 and name HB )) )( (( segid " " and resid 1596 and name HN )) ) 5.000 5.000 0.000 peak 5394 weight 0.10000E+01 volume 0.40200E+00 ppm1 2.849 ppm2 9.177 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1547 and name HG11)) ) 5.000 5.000 0.000 peak 8944 weight 0.10000E+01 volume 0.13180E+01 ppm1 0.584 ppm2 2.179 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1547 and name HG12)) ) 3.300 3.300 0.000 peak 8942 weight 0.10000E+01 volume 0.28570E+01 ppm1 0.587 ppm2 1.286 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) ) 2.700 2.700 0.000 peak 8941 weight 0.10000E+01 volume 0.30980E+01 ppm1 0.587 ppm2 0.990 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1547 and name HN )) ) 5.000 5.000 0.000 peak 5861 weight 0.10000E+01 volume 0.53400E+00 ppm1 0.586 ppm2 8.463 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1548 and name HN )) ) 5.000 5.000 0.000 peak 5846 weight 0.10000E+01 volume 0.30100E+00 ppm1 0.588 ppm2 9.897 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1559 and name HA )) ) 5.000 5.000 0.000 peak 8948 weight 0.10000E+01 volume 0.33700E+00 ppm1 0.589 ppm2 5.343 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1561 and name HA )) ) 5.000 5.000 0.000 peak 8569 weight 0.10000E+01 volume 0.36800E+00 ppm1 0.588 ppm2 5.591 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) ) 5.000 5.000 0.000 peak 8917 weight 0.10000E+01 volume 0.88500E+00 ppm1 0.588 ppm2 -0.289 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 5.000 5.000 0.000 peak 8916 weight 0.10000E+01 volume 0.56100E+00 ppm1 0.587 ppm2 -0.444 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 8949 weight 0.10000E+01 volume 0.73000E+00 ppm1 0.588 ppm2 6.757 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 5.000 5.000 0.000 peak 8939 weight 0.10000E+01 volume 0.45100E+00 ppm1 0.588 ppm2 -0.001 ASSI ( (( segid " " and resid 1547 and name HG12)) )( (( segid " " and resid 1547 and name HG11)) ) 5.000 5.000 0.000 peak 7235 weight 0.10000E+01 volume 0.11640E+01 ppm1 1.281 ppm2 2.180 ASSI ( (( segid " " and resid 1547 and name HG11)) )( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) ) 5.000 5.000 0.000 peak 6293 weight 0.10000E+01 volume 0.47300E+00 ppm1 2.184 ppm2 0.991 ASSI ( (( segid " " and resid 1547 and name HG11)) )( (( segid " " and resid 1547 and name HN )) ) 5.000 5.000 0.000 peak 5858 weight 0.10000E+01 volume 0.37600E+00 ppm1 2.188 ppm2 8.462 ASSI ( (( segid " " and resid 1547 and name HG12)) )( (( segid " " and resid 1547 and name HN )) ) 5.000 5.000 0.000 peak 5859 weight 0.10000E+01 volume 0.46000E+00 ppm1 1.277 ppm2 8.455 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1547 and name HA )) ) 5.000 5.000 0.000 peak 8931 weight 0.10000E+01 volume 0.10190E+01 ppm1 1.012 ppm2 4.511 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1547 and name HB )) ) 3.300 3.300 0.000 peak 8927 weight 0.10000E+01 volume 0.16920E+01 ppm1 1.011 ppm2 2.851 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1547 and name HG12)) ) 3.300 3.300 0.000 peak 8919 weight 0.10000E+01 volume 0.25360E+01 ppm1 1.010 ppm2 1.287 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1547 and name HN )) ) 5.000 5.000 0.000 peak 5860 weight 0.10000E+01 volume 0.56300E+00 ppm1 1.016 ppm2 8.470 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1548 and name HN )) ) 5.000 5.000 0.000 peak 5845 weight 0.10000E+01 volume 0.50800E+00 ppm1 1.012 ppm2 9.899 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 5.000 5.000 0.000 peak 5075 weight 0.10000E+01 volume 0.98000E+00 ppm1 1.010 ppm2 6.882 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1561 and name HA )) ) 5.000 5.000 0.000 peak 8566 weight 0.10000E+01 volume 0.35400E+00 ppm1 1.014 ppm2 5.593 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1596 and name HN )) ) 5.000 5.000 0.000 peak 5396 weight 0.10000E+01 volume 0.34500E+00 ppm1 1.012 ppm2 9.155 ASSI ( (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) )( (( segid " " and resid 1548 and name HB )) ) 2.700 2.700 0.000 peak 8879 weight 0.10000E+01 volume 0.61580E+01 ppm1 1.253 ppm2 4.207 ASSI ( (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) )( (( segid " " and resid 1548 and name HN )) ) 5.000 5.000 0.000 peak 5844 weight 0.10000E+01 volume 0.59400E+00 ppm1 1.257 ppm2 9.900 ASSI ( (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) )( (( segid " " and resid 1549 and name HN )) ) 5.000 5.000 0.000 peak 5834 weight 0.10000E+01 volume 0.54700E+00 ppm1 1.255 ppm2 7.818 ASSI ( (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) )( (( segid " " and resid 1562 and name HN )) ) 5.000 5.000 0.000 peak 5719 weight 0.10000E+01 volume 0.72600E+00 ppm1 1.253 ppm2 9.077 ASSI ( (( segid " " and resid 1549 and name HB2 )) OR (( segid " " and resid 1549 and name HB1 )) )( (( segid " " and resid 1549 and name HN )) ) 5.000 5.000 0.000 peak 8870 weight 0.10000E+01 volume -0.45600E+00 ppm1 3.876 ppm2 7.819 ASSI ( (( segid " " and resid 1550 and name HB )) )( (( segid " " and resid 1550 and name HG11)) ) 3.300 3.300 0.000 peak 8846 weight 0.10000E+01 volume 0.19140E+01 ppm1 1.670 ppm2 1.498 ASSI ( (( segid " " and resid 1550 and name HB )) )( (( segid " " and resid 1550 and name HG12)) ) 5.000 5.000 0.000 peak 8847 weight 0.10000E+01 volume 0.73100E+00 ppm1 1.672 ppm2 1.239 ASSI ( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) )( (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) ) 3.300 3.300 0.000 peak 8853 weight 0.10000E+01 volume 0.23810E+01 ppm1 1.086 ppm2 0.597 ASSI ( (( segid " " and resid 1550 and name HG11)) )( (( segid " " and resid 1550 and name HG12)) ) 3.300 3.300 0.000 peak 8851 weight 0.10000E+01 volume 0.29080E+01 ppm1 1.505 ppm2 1.243 ASSI ( (( segid " " and resid 1550 and name HG11)) )( (( segid " " and resid 1550 and name HN )) ) 5.000 5.000 0.000 peak 5815 weight 0.10000E+01 volume 0.54800E+00 ppm1 1.505 ppm2 8.516 ASSI ( (( segid " " and resid 1550 and name HG11)) )( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 5.000 5.000 0.000 peak 5078 weight 0.10000E+01 volume 0.47300E+00 ppm1 1.510 ppm2 6.886 ASSI ( (( segid " " and resid 1550 and name HG12)) )( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 5.000 5.000 0.000 peak 5074 weight 0.10000E+01 volume 0.76900E+00 ppm1 1.257 ppm2 6.884 ASSI ( (( segid " " and resid 1550 and name HG12)) )( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) ) 5.000 5.000 0.000 peak 6051 weight 0.10000E+01 volume 0.35600E+00 ppm1 1.254 ppm2 6.680 ASSI ( (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) )( (( segid " " and resid 1550 and name HN )) ) 5.000 5.000 0.000 peak 5817 weight 0.10000E+01 volume 0.54000E+00 ppm1 0.604 ppm2 8.511 ASSI ( (( segid " " and resid 1551 and name HB )) )( (( segid " " and resid 1551 and name HA )) ) 3.300 3.300 0.000 peak 8834 weight 0.10000E+01 volume -0.23610E+01 ppm1 3.950 ppm2 4.604 ASSI ( (( segid " " and resid 1551 and name HB )) )( (( segid " " and resid 1551 and name HG23)) OR (( segid " " and resid 1551 and name HG22)) OR (( segid " " and resid 1551 and name HG21)) ) 2.700 2.700 0.000 peak 8835 weight 0.10000E+01 volume -0.44920E+01 ppm1 3.941 ppm2 1.187 ASSI ( (( segid " " and resid 1552 and name HA )) )( (( segid " " and resid 1552 and name HB )) ) 5.000 5.000 0.000 peak 8821 weight 0.10000E+01 volume -0.69200E+00 ppm1 4.257 ppm2 1.985 ASSI ( (( segid " " and resid 1552 and name HA )) )( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) ) 5.000 5.000 0.000 peak 8823 weight 0.10000E+01 volume -0.30900E+00 ppm1 4.260 ppm2 0.394 ASSI ( (( segid " " and resid 1553 and name HB2 )) )( (( segid " " and resid 1553 and name HA )) ) 5.000 5.000 0.000 peak 8814 weight 0.10000E+01 volume 0.11200E+01 ppm1 2.091 ppm2 4.651 ASSI ( (( segid " " and resid 1553 and name HB1 )) )( (( segid " " and resid 1553 and name HN )) ) 5.000 5.000 0.000 peak 8815 weight 0.10000E+01 volume 0.71200E+00 ppm1 2.135 ppm2 8.659 ASSI ( (( segid " " and resid 1553 and name HB2 )) )( (( segid " " and resid 1553 and name HN )) ) 5.000 5.000 0.000 peak 8816 weight 0.10000E+01 volume 0.64300E+00 ppm1 2.078 ppm2 8.658 ASSI ( (( segid " " and resid 1553 and name HB1 )) )( (( segid " " and resid 1556 and name HN )) ) 5.000 5.000 0.000 peak 5773 weight 0.10000E+01 volume 0.36900E+00 ppm1 2.148 ppm2 8.060 ASSI ( (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) )( (( segid " " and resid 1553 and name HN )) ) 5.000 5.000 0.000 peak 5806 weight 0.10000E+01 volume 0.62400E+00 ppm1 2.160 ppm2 8.659 ASSI ( (( segid " " and resid 1554 and name HB2 )) OR (( segid " " and resid 1554 and name HB1 )) )( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) ) 5.000 5.000 0.000 peak 8804 weight 0.10000E+01 volume 0.79800E+00 ppm1 2.961 ppm2 0.544 ASSI ( (( segid " " and resid 1555 and name HA )) )( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) ) 3.300 3.300 0.000 peak 7835 weight 0.10000E+01 volume -0.22580E+01 ppm1 4.096 ppm2 0.521 ASSI ( (( segid " " and resid 1555 and name HB )) )( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) ) 2.700 2.700 0.000 peak 8782 weight 0.10000E+01 volume 0.37670E+01 ppm1 2.018 ppm2 0.528 ASSI ( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) )( (( segid " " and resid 1555 and name HA )) ) 5.000 5.000 0.000 peak 8788 weight 0.10000E+01 volume 0.85900E+00 ppm1 0.552 ppm2 4.106 ASSI ( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) )( (( segid " " and resid 1555 and name HB )) ) 3.300 3.300 0.000 peak 8784 weight 0.10000E+01 volume 0.17100E+01 ppm1 0.553 ppm2 2.027 ASSI ( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) )( (( segid " " and resid 1555 and name HN )) ) 6.000 6.000 0.000 peak 5765 weight 0.10000E+01 volume 0.26800E+00 ppm1 0.546 ppm2 7.819 ASSI ( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) )( (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 5.000 5.000 0.000 peak 8789 weight 0.10000E+01 volume 0.47500E+00 ppm1 0.556 ppm2 7.205 ASSI ( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) )( (( segid " " and resid 1556 and name HE2 )) OR (( segid " " and resid 1556 and name HE1 )) ) 5.000 5.000 0.000 peak 8790 weight 0.10000E+01 volume 0.49300E+00 ppm1 0.551 ppm2 7.322 ASSI ( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) )( (( segid " " and resid 1556 and name HN )) ) 6.000 6.000 0.000 peak 8793 weight 0.10000E+01 volume 0.97000E-01 ppm1 0.550 ppm2 8.066 ASSI ( (( segid " " and resid 1556 and name HA )) )( (( segid " " and resid 1556 and name HB1 )) ) 5.000 5.000 0.000 peak 5019 weight 0.10000E+01 volume -0.61400E+00 ppm1 5.425 ppm2 3.012 ASSI ( (( segid " " and resid 1556 and name HA )) )( (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 5.000 5.000 0.000 peak 8773 weight 0.10000E+01 volume -0.92700E+00 ppm1 5.420 ppm2 7.197 ASSI ( (( segid " " and resid 1556 and name HB2 )) )( (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 5.000 5.000 0.000 peak 4542 weight 0.10000E+01 volume 0.82400E+00 ppm1 2.803 ppm2 7.196 ASSI ( (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) )( (( segid " " and resid 1585 and name HA )) ) 5.000 5.000 0.000 peak 7851 weight 0.10000E+01 volume -0.41700E+00 ppm1 7.192 ppm2 4.652 ASSI ( (( segid " " and resid 1557 and name HA )) )( (( segid " " and resid 1553 and name HN )) ) 5.000 5.000 0.000 peak 8705 weight 0.10000E+01 volume -0.33500E+00 ppm1 4.408 ppm2 8.635 ASSI ( (( segid " " and resid 1557 and name HA )) )( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) ) 5.000 5.000 0.000 peak 8711 weight 0.10000E+01 volume -0.85600E+00 ppm1 4.410 ppm2 0.364 ASSI ( (( segid " " and resid 1557 and name HB )) )( (( segid " " and resid 1557 and name HN )) ) 5.000 5.000 0.000 peak 5772 weight 0.10000E+01 volume 0.46300E+00 ppm1 1.734 ppm2 9.304 ASSI ( (( segid " " and resid 1557 and name HB )) )( (( segid " " and resid 1584 and name HE1 )) ) 5.000 5.000 0.000 peak 8714 weight 0.10000E+01 volume 0.49400E+00 ppm1 1.732 ppm2 3.167 ASSI ( (( segid " " and resid 1557 and name HB )) )( (( segid " " and resid 1584 and name HE2 )) ) 5.000 5.000 0.000 peak 8716 weight 0.10000E+01 volume 0.64100E+00 ppm1 1.739 ppm2 2.969 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1552 and name HA )) ) 5.000 5.000 0.000 peak 8726 weight 0.10000E+01 volume 0.10890E+01 ppm1 0.915 ppm2 4.255 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1556 and name HA )) ) 6.000 6.000 0.000 peak 8728 weight 0.10000E+01 volume 0.14100E+00 ppm1 0.917 ppm2 5.443 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1557 and name HA )) ) 5.000 5.000 0.000 peak 8727 weight 0.10000E+01 volume 0.12550E+01 ppm1 0.915 ppm2 4.404 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1557 and name HN )) ) 5.000 5.000 0.000 peak 5771 weight 0.10000E+01 volume 0.67000E+00 ppm1 0.916 ppm2 9.305 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1558 and name HN )) ) 5.000 5.000 0.000 peak 5767 weight 0.10000E+01 volume 0.43700E+00 ppm1 0.912 ppm2 8.914 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1584 and name HE1 )) ) 5.000 5.000 0.000 peak 7890 weight 0.10000E+01 volume 0.31500E+00 ppm1 0.911 ppm2 3.176 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1584 and name HE2 )) ) 5.000 5.000 0.000 peak 7891 weight 0.10000E+01 volume 0.47600E+00 ppm1 0.913 ppm2 2.968 ASSI ( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) )( (( segid " " and resid 1586 and name HA )) ) 5.000 5.000 0.000 peak 8725 weight 0.10000E+01 volume 0.14960E+01 ppm1 0.911 ppm2 3.787 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) ) 2.700 2.700 0.000 peak 8749 weight 0.10000E+01 volume 0.32350E+01 ppm1 0.379 ppm2 0.908 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1558 and name HN )) ) 5.000 5.000 0.000 peak 5768 weight 0.10000E+01 volume 0.95800E+00 ppm1 0.379 ppm2 8.913 ASSI ( (( segid " " and resid 1558 and name HA )) )( (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 8665 weight 0.10000E+01 volume -0.52200E+00 ppm1 5.195 ppm2 1.095 ASSI ( (( segid " " and resid 1558 and name HA )) )( (( segid " " and resid 1583 and name HA )) ) 5.000 5.000 0.000 peak 8662 weight 0.10000E+01 volume -0.67900E+00 ppm1 5.193 ppm2 5.783 ASSI ( (( segid " " and resid 1558 and name HB1 )) )( (( segid " " and resid 1551 and name HB )) ) 5.000 5.000 0.000 peak 8673 weight 0.10000E+01 volume 0.34700E+00 ppm1 1.624 ppm2 3.958 ASSI ( (( segid " " and resid 1558 and name HB2 )) )( (( segid " " and resid 1551 and name HB )) ) 5.000 5.000 0.000 peak 8674 weight 0.10000E+01 volume 0.31400E+00 ppm1 1.563 ppm2 3.949 ASSI ( (( segid " " and resid 1558 and name HB1 )) )( (( segid " " and resid 1558 and name HG1 )) ) 5.000 5.000 0.000 peak 8677 weight 0.10000E+01 volume 0.76800E+00 ppm1 1.625 ppm2 1.288 ASSI ( (( segid " " and resid 1558 and name HB2 )) )( (( segid " " and resid 1558 and name HG1 )) ) 5.000 5.000 0.000 peak 8678 weight 0.10000E+01 volume 0.60000E+00 ppm1 1.546 ppm2 1.286 ASSI ( (( segid " " and resid 1558 and name HB1 )) )( (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 8679 weight 0.10000E+01 volume 0.81100E+00 ppm1 1.622 ppm2 1.115 ASSI ( (( segid " " and resid 1558 and name HB2 )) )( (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 8680 weight 0.10000E+01 volume 0.98100E+00 ppm1 1.547 ppm2 1.111 ASSI ( (( segid " " and resid 1558 and name HB1 )) )( (( segid " " and resid 1558 and name HN )) ) 5.000 5.000 0.000 peak 8670 weight 0.10000E+01 volume 0.66400E+00 ppm1 1.626 ppm2 8.908 ASSI ( (( segid " " and resid 1558 and name HB2 )) )( (( segid " " and resid 1558 and name HN )) ) 5.000 5.000 0.000 peak 6057 weight 0.10000E+01 volume 0.72600E+00 ppm1 1.554 ppm2 8.908 ASSI ( (( segid " " and resid 1558 and name HB1 )) )( (( segid " " and resid 1559 and name HN )) ) 6.000 6.000 0.000 peak 8671 weight 0.10000E+01 volume 0.25000E+00 ppm1 1.623 ppm2 9.502 ASSI ( (( segid " " and resid 1558 and name HB2 )) )( (( segid " " and resid 1559 and name HN )) ) 6.000 6.000 0.000 peak 8672 weight 0.10000E+01 volume 0.29600E+00 ppm1 1.550 ppm2 9.506 ASSI ( (( segid " " and resid 1558 and name HE1 )) )( (( segid " " and resid 1558 and name HG1 )) ) 5.000 5.000 0.000 peak 8757 weight 0.10000E+01 volume 0.99300E+00 ppm1 2.707 ppm2 1.283 ASSI ( (( segid " " and resid 1558 and name HE1 )) )( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) ) 5.000 5.000 0.000 peak 2355 weight 0.10000E+01 volume 0.32500E+00 ppm1 2.717 ppm2 0.198 ASSI ( (( segid " " and resid 1558 and name HE2 )) )( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) ) 5.000 5.000 0.000 peak 8761 weight 0.10000E+01 volume 0.38700E+00 ppm1 2.664 ppm2 0.199 ASSI ( (( segid " " and resid 1558 and name HG1 )) )( (( segid " " and resid 1558 and name HA )) ) 5.000 5.000 0.000 peak 8690 weight 0.10000E+01 volume 0.31600E+00 ppm1 1.295 ppm2 5.195 ASSI ( (( segid " " and resid 1558 and name HG1 )) )( (( segid " " and resid 1558 and name HE2 )) OR (( segid " " and resid 1558 and name HE1 )) ) 5.000 5.000 0.000 peak 8685 weight 0.10000E+01 volume 0.46700E+00 ppm1 1.290 ppm2 2.680 ASSI ( (( segid " " and resid 1558 and name HG2 )) )( (( segid " " and resid 1558 and name HE2 )) OR (( segid " " and resid 1558 and name HE1 )) ) 5.000 5.000 0.000 peak 8686 weight 0.10000E+01 volume 0.38300E+00 ppm1 1.125 ppm2 2.674 ASSI ( (( segid " " and resid 1559 and name HA )) )( (( segid " " and resid 1550 and name HA )) ) 5.000 5.000 0.000 peak 8631 weight 0.10000E+01 volume -0.12280E+01 ppm1 5.344 ppm2 4.689 ASSI ( (( segid " " and resid 1559 and name HA )) )( (( segid " " and resid 1559 and name HB1 )) ) 5.000 5.000 0.000 peak 8633 weight 0.10000E+01 volume -0.49100E+00 ppm1 5.348 ppm2 3.116 ASSI ( (( segid " " and resid 1559 and name HA )) )( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 5.000 5.000 0.000 peak 8626 weight 0.10000E+01 volume -0.71600E+00 ppm1 5.354 ppm2 6.879 ASSI ( (( segid " " and resid 1559 and name HA )) )( (( segid " " and resid 1559 and name HN )) ) 5.000 5.000 0.000 peak 4179 weight 0.10000E+01 volume -0.85700E+00 ppm1 5.354 ppm2 9.502 ASSI ( (( segid " " and resid 1559 and name HA )) )( (( segid " " and resid 1560 and name HN )) ) 3.300 3.300 0.000 peak 5126 weight 0.10000E+01 volume -0.18760E+01 ppm1 5.349 ppm2 8.708 ASSI ( (( segid " " and resid 1559 and name HB2 )) )( (( segid " " and resid 1559 and name HA )) ) 5.000 5.000 0.000 peak 4547 weight 0.10000E+01 volume 0.75400E+00 ppm1 2.897 ppm2 5.345 ASSI ( (( segid " " and resid 1559 and name HB2 )) )( (( segid " " and resid 1559 and name HB1 )) ) 3.300 3.300 0.000 peak 4550 weight 0.10000E+01 volume 0.19360E+01 ppm1 2.898 ppm2 3.110 ASSI ( (( segid " " and resid 1559 and name HB1 )) )( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 5.000 5.000 0.000 peak 4549 weight 0.10000E+01 volume 0.65300E+00 ppm1 3.104 ppm2 6.880 ASSI ( (( segid " " and resid 1559 and name HB1 )) )( (( segid " " and resid 1559 and name HN )) ) 5.000 5.000 0.000 peak 8637 weight 0.10000E+01 volume 0.47200E+00 ppm1 3.110 ppm2 9.502 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1559 and name HN )) ) 5.000 5.000 0.000 peak 5008 weight 0.10000E+01 volume -0.62800E+00 ppm1 6.893 ppm2 9.502 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) ) 3.300 3.300 0.000 peak 8655 weight 0.10000E+01 volume -0.15200E+01 ppm1 6.889 ppm2 0.689 ASSI ( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) )( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) ) 3.300 3.300 0.000 peak 5103 weight 0.10000E+01 volume 0.15490E+01 ppm1 6.657 ppm2 1.088 ASSI ( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) )( (( segid " " and resid 1584 and name HE1 )) ) 5.000 5.000 0.000 peak 5105 weight 0.10000E+01 volume 0.51500E+00 ppm1 6.657 ppm2 3.166 ASSI ( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) )( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) ) 5.000 5.000 0.000 peak 7032 weight 0.10000E+01 volume 0.38900E+00 ppm1 6.659 ppm2 -0.298 ASSI ( (( segid " " and resid 1560 and name HA )) )( (( segid " " and resid 1560 and name HG2 )) OR (( segid " " and resid 1560 and name HG1 )) ) 5.000 5.000 0.000 peak 8073 weight 0.10000E+01 volume -0.12520E+01 ppm1 5.288 ppm2 1.406 ASSI ( (( segid " " and resid 1560 and name HB1 )) )( (( segid " " and resid 1549 and name HB2 )) OR (( segid " " and resid 1549 and name HB1 )) ) 5.000 5.000 0.000 peak 8588 weight 0.10000E+01 volume 0.44800E+00 ppm1 1.847 ppm2 3.859 ASSI ( (( segid " " and resid 1560 and name HB1 )) )( (( segid " " and resid 1549 and name HN )) ) 5.000 5.000 0.000 peak 5832 weight 0.10000E+01 volume 0.38800E+00 ppm1 1.847 ppm2 7.821 ASSI ( (( segid " " and resid 1560 and name HB1 )) )( (( segid " " and resid 1560 and name HA )) ) 5.000 5.000 0.000 peak 8586 weight 0.10000E+01 volume 0.61500E+00 ppm1 1.851 ppm2 5.295 ASSI ( (( segid " " and resid 1560 and name HB2 )) )( (( segid " " and resid 1560 and name HA )) ) 5.000 5.000 0.000 peak 8587 weight 0.10000E+01 volume 0.76300E+00 ppm1 1.656 ppm2 5.296 ASSI ( (( segid " " and resid 1560 and name HB1 )) )( (( segid " " and resid 1560 and name HG2 )) OR (( segid " " and resid 1560 and name HG1 )) ) 3.300 3.300 0.000 peak 8606 weight 0.10000E+01 volume 0.19320E+01 ppm1 1.850 ppm2 1.405 ASSI ( (( segid " " and resid 1560 and name HB1 )) )( (( segid " " and resid 1560 and name HN )) ) 5.000 5.000 0.000 peak 5738 weight 0.10000E+01 volume 0.63700E+00 ppm1 1.847 ppm2 8.686 ASSI ( (( segid " " and resid 1560 and name HB2 )) )( (( segid " " and resid 1560 and name HN )) ) 5.000 5.000 0.000 peak 8591 weight 0.10000E+01 volume 0.40300E+00 ppm1 1.654 ppm2 8.696 ASSI ( (( segid " " and resid 1560 and name HB2 )) )( (( segid " " and resid 1561 and name HN )) ) 5.000 5.000 0.000 peak 8596 weight 0.10000E+01 volume 0.48900E+00 ppm1 1.664 ppm2 9.339 ASSI ( (( segid " " and resid 1560 and name HE2 )) OR (( segid " " and resid 1560 and name HE1 )) )( (( segid " " and resid 1560 and name HD2 )) ) 2.700 2.700 0.000 peak 8619 weight 0.10000E+01 volume 0.38290E+01 ppm1 2.835 ppm2 1.485 ASSI ( (( segid " " and resid 1560 and name HG2 )) OR (( segid " " and resid 1560 and name HG1 )) )( (( segid " " and resid 1560 and name HN )) ) 5.000 5.000 0.000 peak 8612 weight 0.10000E+01 volume 0.82400E+00 ppm1 1.409 ppm2 8.660 ASSI ( (( segid " " and resid 1561 and name HA )) )( (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) ) 5.000 5.000 0.000 peak 8560 weight 0.10000E+01 volume -0.64600E+00 ppm1 5.588 ppm2 1.237 ASSI ( (( segid " " and resid 1561 and name HA )) )( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) ) 3.300 3.300 0.000 peak 8559 weight 0.10000E+01 volume -0.15360E+01 ppm1 5.591 ppm2 1.385 ASSI ( (( segid " " and resid 1561 and name HA )) )( (( segid " " and resid 1561 and name HN )) ) 5.000 5.000 0.000 peak 5728 weight 0.10000E+01 volume -0.42100E+00 ppm1 5.587 ppm2 9.352 ASSI ( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) )( (( segid " " and resid 1545 and name HB )) ) 3.300 3.300 0.000 peak 5895 weight 0.10000E+01 volume 0.21570E+01 ppm1 1.388 ppm2 2.249 ASSI ( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) )( (( segid " " and resid 1548 and name HN )) ) 5.000 5.000 0.000 peak 5843 weight 0.10000E+01 volume 0.43700E+00 ppm1 1.386 ppm2 9.897 ASSI ( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) )( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) ) 5.000 5.000 0.000 peak 8063 weight 0.10000E+01 volume 0.63400E+00 ppm1 1.387 ppm2 0.169 ASSI ( (( segid " " and resid 1562 and name HB )) )( (( segid " " and resid 1546 and name HN )) ) 5.000 5.000 0.000 peak 5197 weight 0.10000E+01 volume -0.44700E+00 ppm1 3.822 ppm2 8.513 ASSI ( (( segid " " and resid 1562 and name HB )) )( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) ) 3.300 3.300 0.000 peak 6143 weight 0.10000E+01 volume -0.23010E+01 ppm1 3.821 ppm2 1.039 ASSI ( (( segid " " and resid 1562 and name HB )) )( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) ) 5.000 5.000 0.000 peak 8464 weight 0.10000E+01 volume -0.77300E+00 ppm1 3.819 ppm2 0.741 ASSI ( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) )( (( segid " " and resid 1562 and name HN )) ) 5.000 5.000 0.000 peak 5720 weight 0.10000E+01 volume 0.39400E+00 ppm1 1.054 ppm2 9.091 ASSI ( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) )( (( segid " " and resid 1563 and name HN )) ) 5.000 5.000 0.000 peak 8531 weight 0.10000E+01 volume 0.10460E+01 ppm1 1.051 ppm2 8.860 ASSI ( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) )( (( segid " " and resid 1577 and name HB1 )) ) 5.000 5.000 0.000 peak 8543 weight 0.10000E+01 volume 0.52400E+00 ppm1 1.052 ppm2 2.970 ASSI ( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) )( (( segid " " and resid 1577 and name HB2 )) ) 5.000 5.000 0.000 peak 8541 weight 0.10000E+01 volume 0.44300E+00 ppm1 1.050 ppm2 2.821 ASSI ( (( segid " " and resid 1563 and name HB2 )) )( (( segid " " and resid 1563 and name HA )) ) 5.000 5.000 0.000 peak 8482 weight 0.10000E+01 volume 0.52000E+00 ppm1 1.045 ppm2 4.198 ASSI ( (( segid " " and resid 1563 and name HB2 )) )( (( segid " " and resid 1563 and name HB1 )) ) 3.300 3.300 0.000 peak 8489 weight 0.10000E+01 volume 0.17840E+01 ppm1 1.047 ppm2 1.807 ASSI ( (( segid " " and resid 1563 and name HB1 )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 8487 weight 0.10000E+01 volume 0.96000E+00 ppm1 1.819 ppm2 0.112 ASSI ( (( segid " " and resid 1563 and name HB2 )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 8488 weight 0.10000E+01 volume 0.10450E+01 ppm1 1.046 ppm2 0.114 ASSI ( (( segid " " and resid 1563 and name HB2 )) )( (( segid " " and resid 1563 and name HG )) ) 5.000 5.000 0.000 peak 8490 weight 0.10000E+01 volume 0.14090E+01 ppm1 1.049 ppm2 0.892 ASSI ( (( segid " " and resid 1563 and name HB2 )) )( (( segid " " and resid 1563 and name HN )) ) 5.000 5.000 0.000 peak 5707 weight 0.10000E+01 volume 0.73200E+00 ppm1 1.049 ppm2 8.859 ASSI ( (( segid " " and resid 1563 and name HB1 )) )( (( segid " " and resid 1578 and name HN )) ) 5.000 5.000 0.000 peak 5574 weight 0.10000E+01 volume 0.33600E+00 ppm1 1.817 ppm2 7.670 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1544 and name HN )) ) 5.000 5.000 0.000 peak 5234 weight 0.10000E+01 volume 0.53800E+00 ppm1 0.113 ppm2 8.519 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1545 and name HA )) ) 5.000 5.000 0.000 peak 8499 weight 0.10000E+01 volume 0.45200E+00 ppm1 0.111 ppm2 5.693 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1564 and name HN )) ) 5.000 5.000 0.000 peak 5694 weight 0.10000E+01 volume 0.54100E+00 ppm1 0.112 ppm2 8.737 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1565 and name HA )) ) 5.000 5.000 0.000 peak 8502 weight 0.10000E+01 volume 0.45700E+00 ppm1 0.111 ppm2 4.552 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1565 and name HN )) ) 5.000 5.000 0.000 peak 5682 weight 0.10000E+01 volume 0.73100E+00 ppm1 0.115 ppm2 7.754 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1574 and name HA )) ) 5.000 5.000 0.000 peak 8503 weight 0.10000E+01 volume 0.40000E+00 ppm1 0.111 ppm2 4.437 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) )( (( segid " " and resid 1576 and name HA )) ) 5.000 5.000 0.000 peak 6223 weight 0.10000E+01 volume 0.52300E+00 ppm1 0.110 ppm2 3.543 ASSI ( (( segid " " and resid 1563 and name HG )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 3.300 3.300 0.000 peak 8493 weight 0.10000E+01 volume 0.22450E+01 ppm1 0.899 ppm2 0.101 ASSI ( (( segid " " and resid 1564 and name HA )) )( (( segid " " and resid 1564 and name HB2 )) OR (( segid " " and resid 1564 and name HB1 )) ) 3.300 3.300 0.000 peak 8428 weight 0.10000E+01 volume -0.17710E+01 ppm1 4.295 ppm2 1.287 ASSI ( (( segid " " and resid 1564 and name HA )) )( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) OR (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) ) 3.300 3.300 0.000 peak 8434 weight 0.10000E+01 volume -0.25480E+01 ppm1 4.293 ppm2 0.726 ASSI ( (( segid " " and resid 1564 and name HA )) )( (( segid " " and resid 1565 and name HN )) ) 5.000 5.000 0.000 peak 8431 weight 0.10000E+01 volume -0.44100E+00 ppm1 4.295 ppm2 7.769 ASSI ( (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) )( (( segid " " and resid 1545 and name HA )) ) 5.000 5.000 0.000 peak 8455 weight 0.10000E+01 volume 0.61800E+00 ppm1 0.664 ppm2 5.691 ASSI ( (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) )( (( segid " " and resid 1546 and name HB1 )) ) 5.000 5.000 0.000 peak 8447 weight 0.10000E+01 volume 0.64300E+00 ppm1 0.660 ppm2 3.779 ASSI ( (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) )( (( segid " " and resid 1546 and name HB2 )) ) 5.000 5.000 0.000 peak 8446 weight 0.10000E+01 volume 0.90800E+00 ppm1 0.659 ppm2 3.661 ASSI ( (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) )( (( segid " " and resid 1564 and name HA )) ) 5.000 5.000 0.000 peak 8436 weight 0.10000E+01 volume 0.54800E+00 ppm1 0.664 ppm2 4.297 ASSI ( (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) )( (( segid " " and resid 1564 and name HG )) ) 2.700 2.700 0.000 peak 8443 weight 0.10000E+01 volume 0.37440E+01 ppm1 0.663 ppm2 1.516 ASSI ( (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) )( (( segid " " and resid 1564 and name HN )) ) 5.000 5.000 0.000 peak 5656 weight 0.10000E+01 volume 0.38200E+00 ppm1 0.664 ppm2 8.716 ASSI ( (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) )( (( segid " " and resid 1598 and name HG1 )) ) 5.000 5.000 0.000 peak 8445 weight 0.10000E+01 volume 0.37100E+00 ppm1 0.659 ppm2 2.573 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) )( (( segid " " and resid 1564 and name HA )) ) 3.300 3.300 0.000 peak 8435 weight 0.10000E+01 volume 0.21390E+01 ppm1 0.742 ppm2 4.303 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) )( (( segid " " and resid 1564 and name HN )) ) 5.000 5.000 0.000 peak 5355 weight 0.10000E+01 volume 0.38900E+00 ppm1 0.741 ppm2 8.732 ASSI ( (( segid " " and resid 1564 and name HG )) )( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) OR (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) ) 2.700 2.700 0.000 peak 8441 weight 0.10000E+01 volume 0.46580E+01 ppm1 1.521 ppm2 0.671 ASSI ( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) )( (( segid " " and resid 1544 and name HD2 )) ) 5.000 5.000 0.000 peak 8424 weight 0.10000E+01 volume 0.33400E+00 ppm1 2.117 ppm2 0.363 ASSI ( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) )( (( segid " " and resid 1565 and name HA )) ) 3.300 3.300 0.000 peak 8413 weight 0.10000E+01 volume 0.20670E+01 ppm1 2.118 ppm2 4.554 ASSI ( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) )( (( segid " " and resid 1566 and name HN )) ) 5.000 5.000 0.000 peak 5667 weight 0.10000E+01 volume 0.10000E+01 ppm1 2.119 ppm2 8.445 ASSI ( (( segid " " and resid 1566 and name HA )) )( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) ) 5.000 5.000 0.000 peak 8355 weight 0.10000E+01 volume -0.94000E+00 ppm1 4.154 ppm2 0.643 ASSI ( (( segid " " and resid 1566 and name HA )) )( (( segid " " and resid 1566 and name HN )) ) 5.000 5.000 0.000 peak 8349 weight 0.10000E+01 volume -0.40500E+00 ppm1 4.154 ppm2 8.461 ASSI ( (( segid " " and resid 1566 and name HB )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) ) 5.000 5.000 0.000 peak 8363 weight 0.10000E+01 volume 0.48500E+00 ppm1 1.593 ppm2 0.128 ASSI ( (( segid " " and resid 1566 and name HB )) )( (( segid " " and resid 1566 and name HA )) ) 5.000 5.000 0.000 peak 8356 weight 0.10000E+01 volume 0.45800E+00 ppm1 1.580 ppm2 4.155 ASSI ( (( segid " " and resid 1566 and name HB )) )( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) ) 2.700 2.700 0.000 peak 8357 weight 0.10000E+01 volume 0.35180E+01 ppm1 1.582 ppm2 0.941 ASSI ( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 3.300 3.300 0.000 peak 6160 weight 0.10000E+01 volume 0.18780E+01 ppm1 0.620 ppm2 0.101 ASSI ( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) )( (( segid " " and resid 1566 and name HN )) ) 5.000 5.000 0.000 peak 5671 weight 0.10000E+01 volume 0.51300E+00 ppm1 0.624 ppm2 8.446 ASSI ( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) )( (( segid " " and resid 1576 and name HN )) ) 5.000 5.000 0.000 peak 6166 weight 0.10000E+01 volume 0.32100E+00 ppm1 0.621 ppm2 8.907 ASSI ( (( segid " " and resid 1566 and name HG11)) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 8365 weight 0.10000E+01 volume 0.78400E+00 ppm1 1.045 ppm2 0.100 ASSI ( (( segid " " and resid 1566 and name HG12)) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 8366 weight 0.10000E+01 volume 0.77200E+00 ppm1 0.651 ppm2 0.106 ASSI ( (( segid " " and resid 1566 and name HG11)) )( (( segid " " and resid 1566 and name HA )) ) 5.000 5.000 0.000 peak 8373 weight 0.10000E+01 volume 0.53900E+00 ppm1 1.040 ppm2 4.157 ASSI ( (( segid " " and resid 1566 and name HG12)) )( (( segid " " and resid 1566 and name HA )) ) 5.000 5.000 0.000 peak 8376 weight 0.10000E+01 volume 0.50900E+00 ppm1 0.660 ppm2 4.157 ASSI ( (( segid " " and resid 1566 and name HG12)) )( (( segid " " and resid 1566 and name HB )) ) 5.000 5.000 0.000 peak 8372 weight 0.10000E+01 volume 0.49500E+00 ppm1 0.656 ppm2 1.584 ASSI ( (( segid " " and resid 1566 and name HG11)) )( (( segid " " and resid 1566 and name HN )) ) 5.000 5.000 0.000 peak 5669 weight 0.10000E+01 volume 0.33100E+00 ppm1 1.043 ppm2 8.422 ASSI ( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 8388 weight 0.10000E+01 volume 0.48400E+00 ppm1 0.950 ppm2 0.105 ASSI ( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) )( (( segid " " and resid 1566 and name HA )) ) 5.000 5.000 0.000 peak 8381 weight 0.10000E+01 volume 0.11110E+01 ppm1 0.947 ppm2 4.157 ASSI ( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) )( (( segid " " and resid 1566 and name HN )) ) 5.000 5.000 0.000 peak 5670 weight 0.10000E+01 volume 0.48500E+00 ppm1 0.943 ppm2 8.417 ASSI ( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) )( (( segid " " and resid 1567 and name HN )) ) 5.000 5.000 0.000 peak 5655 weight 0.10000E+01 volume 0.78000E+00 ppm1 0.948 ppm2 8.575 ASSI ( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) )( (( segid " " and resid 1568 and name HN )) ) 5.000 5.000 0.000 peak 5653 weight 0.10000E+01 volume 0.68000E+00 ppm1 0.948 ppm2 7.966 ASSI ( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) )( (( segid " " and resid 1569 and name HA )) ) 5.000 5.000 0.000 peak 8386 weight 0.10000E+01 volume 0.53400E+00 ppm1 0.944 ppm2 4.800 ASSI ( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) )( (( segid " " and resid 1569 and name HB )) ) 5.000 5.000 0.000 peak 8382 weight 0.10000E+01 volume 0.57800E+00 ppm1 0.948 ppm2 4.304 ASSI ( (( segid " " and resid 1567 and name HB1 )) )( (( segid " " and resid 1567 and name HA )) ) 5.000 5.000 0.000 peak 4556 weight 0.10000E+01 volume 0.10690E+01 ppm1 3.195 ppm2 4.801 ASSI ( (( segid " " and resid 1567 and name HB2 )) )( (( segid " " and resid 1567 and name HA )) ) 5.000 5.000 0.000 peak 4555 weight 0.10000E+01 volume 0.64000E+00 ppm1 2.590 ppm2 4.800 ASSI ( (( segid " " and resid 1567 and name HB2 )) )( (( segid " " and resid 1567 and name HB1 )) ) 3.300 3.300 0.000 peak 4557 weight 0.10000E+01 volume 0.24140E+01 ppm1 2.591 ppm2 3.194 ASSI ( (( segid " " and resid 1567 and name HB1 )) )( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 4553 weight 0.10000E+01 volume 0.11900E+01 ppm1 3.200 ppm2 6.654 ASSI ( (( segid " " and resid 1567 and name HB2 )) )( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 4554 weight 0.10000E+01 volume 0.12520E+01 ppm1 2.591 ppm2 6.664 ASSI ( (( segid " " and resid 1567 and name HB1 )) )( (( segid " " and resid 1567 and name HN )) ) 5.000 5.000 0.000 peak 4564 weight 0.10000E+01 volume 0.47700E+00 ppm1 3.201 ppm2 8.561 ASSI ( (( segid " " and resid 1567 and name HB2 )) )( (( segid " " and resid 1567 and name HN )) ) 5.000 5.000 0.000 peak 4563 weight 0.10000E+01 volume 0.33600E+00 ppm1 2.593 ppm2 8.580 ASSI ( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) )( (( segid " " and resid 1567 and name HA )) ) 5.000 5.000 0.000 peak 4566 weight 0.10000E+01 volume -0.86200E+00 ppm1 6.650 ppm2 4.800 ASSI ( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) )( (( segid " " and resid 1567 and name HN )) ) 5.000 5.000 0.000 peak 4567 weight 0.10000E+01 volume -0.46600E+00 ppm1 6.647 ppm2 8.565 ASSI ( (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) )( (( segid " " and resid 1567 and name HB2 )) ) 5.000 5.000 0.000 peak 5015 weight 0.10000E+01 volume 0.32100E+00 ppm1 6.694 ppm2 2.573 ASSI ( (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) )( (( segid " " and resid 1630 and name HZ3 )) ) 5.000 5.000 0.000 peak 5016 weight 0.10000E+01 volume 0.10770E+01 ppm1 6.696 ppm2 7.127 ASSI ( (( segid " " and resid 1568 and name HB1 )) )( (( segid " " and resid 1568 and name HA )) ) 5.000 5.000 0.000 peak 5892 weight 0.10000E+01 volume 0.63900E+00 ppm1 1.706 ppm2 4.552 ASSI ( (( segid " " and resid 1568 and name HB2 )) )( (( segid " " and resid 1568 and name HA )) ) 5.000 5.000 0.000 peak 5893 weight 0.10000E+01 volume 0.53800E+00 ppm1 1.548 ppm2 4.550 ASSI ( (( segid " " and resid 1568 and name HB2 )) )( (( segid " " and resid 1568 and name HB1 )) ) 3.300 3.300 0.000 peak 8088 weight 0.10000E+01 volume 0.15150E+01 ppm1 1.554 ppm2 1.718 ASSI ( (( segid " " and resid 1568 and name HB2 )) )( (( segid " " and resid 1568 and name HD2 )) ) 5.000 5.000 0.000 peak 8303 weight 0.10000E+01 volume 0.37800E+00 ppm1 1.557 ppm2 1.185 ASSI ( (( segid " " and resid 1568 and name HB1 )) )( (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) ) 3.300 3.300 0.000 peak 8293 weight 0.10000E+01 volume 0.17850E+01 ppm1 1.713 ppm2 1.395 ASSI ( (( segid " " and resid 1568 and name HB2 )) )( (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) ) 3.300 3.300 0.000 peak 8292 weight 0.10000E+01 volume 0.16480E+01 ppm1 1.554 ppm2 1.389 ASSI ( (( segid " " and resid 1568 and name HD2 )) )( (( segid " " and resid 1568 and name HB1 )) ) 5.000 5.000 0.000 peak 8304 weight 0.10000E+01 volume 0.71600E+00 ppm1 1.189 ppm2 1.711 ASSI ( (( segid " " and resid 1568 and name HD1 )) )( (( segid " " and resid 1568 and name HD2 )) ) 3.300 3.300 0.000 peak 8306 weight 0.10000E+01 volume 0.22250E+01 ppm1 1.507 ppm2 1.189 ASSI ( (( segid " " and resid 1568 and name HD1 )) )( (( segid " " and resid 1568 and name HE2 )) OR (( segid " " and resid 1568 and name HE1 )) ) 5.000 5.000 0.000 peak 8305 weight 0.10000E+01 volume 0.78400E+00 ppm1 1.506 ppm2 2.893 ASSI ( (( segid " " and resid 1568 and name HD2 )) )( (( segid " " and resid 1568 and name HE2 )) OR (( segid " " and resid 1568 and name HE1 )) ) 5.000 5.000 0.000 peak 8310 weight 0.10000E+01 volume 0.86400E+00 ppm1 1.189 ppm2 2.898 ASSI ( (( segid " " and resid 1568 and name HD1 )) )( (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) ) 2.700 2.700 0.000 peak 8307 weight 0.10000E+01 volume 0.70590E+01 ppm1 1.507 ppm2 1.385 ASSI ( (( segid " " and resid 1569 and name HB )) )( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) ) 3.300 3.300 0.000 peak 8267 weight 0.10000E+01 volume -0.18380E+01 ppm1 4.303 ppm2 1.386 ASSI ( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) )( (( segid " " and resid 1570 and name HN )) ) 5.000 5.000 0.000 peak 5636 weight 0.10000E+01 volume 0.35700E+00 ppm1 1.388 ppm2 8.412 ASSI ( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) )( (( segid " " and resid 1573 and name HA )) ) 5.000 5.000 0.000 peak 9564 weight 0.10000E+01 volume 0.49000E+00 ppm1 1.388 ppm2 3.760 ASSI ( (( segid " " and resid 1570 and name HA2 )) )( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 5.000 5.000 0.000 peak 8248 weight 0.10000E+01 volume 0.58000E+00 ppm1 3.848 ppm2 1.629 ASSI ( (( segid " " and resid 1570 and name HA2 )) )( (( segid " " and resid 1570 and name HA1 )) ) 2.700 2.700 0.000 peak 8243 weight 0.10000E+01 volume 0.40060E+01 ppm1 3.852 ppm2 4.668 ASSI ( (( segid " " and resid 1571 and name HA )) )( (( segid " " and resid 1571 and name HN )) ) 5.000 5.000 0.000 peak 8235 weight 0.10000E+01 volume -0.68400E+00 ppm1 4.050 ppm2 10.076 ASSI ( (( segid " " and resid 1571 and name HB1 )) )( (( segid " " and resid 1571 and name HN )) ) 5.000 5.000 0.000 peak 5634 weight 0.10000E+01 volume 0.70600E+00 ppm1 1.941 ppm2 10.083 ASSI ( (( segid " " and resid 1571 and name HB2 )) )( (( segid " " and resid 1571 and name HN )) ) 5.000 5.000 0.000 peak 5635 weight 0.10000E+01 volume 0.67800E+00 ppm1 1.845 ppm2 10.094 ASSI ( (( segid " " and resid 1571 and name HB1 )) )( (( segid " " and resid 1572 and name HN )) ) 5.000 5.000 0.000 peak 5632 weight 0.10000E+01 volume 0.72100E+00 ppm1 1.940 ppm2 7.967 ASSI ( (( segid " " and resid 1571 and name HG1 )) )( (( segid " " and resid 1571 and name HN )) ) 5.000 5.000 0.000 peak 8240 weight 0.10000E+01 volume 0.33700E+00 ppm1 2.291 ppm2 10.087 ASSI ( (( segid " " and resid 1572 and name HA )) )( (( segid " " and resid 1572 and name HN )) ) 5.000 5.000 0.000 peak 8223 weight 0.10000E+01 volume -0.42300E+00 ppm1 3.622 ppm2 7.967 ASSI ( (( segid " " and resid 1572 and name HA )) )( (( segid " " and resid 1573 and name HG13)) OR (( segid " " and resid 1573 and name HG12)) OR (( segid " " and resid 1573 and name HG11)) ) 6.000 6.000 0.000 peak 8226 weight 0.10000E+01 volume -0.72000E-01 ppm1 3.622 ppm2 1.039 ASSI ( (( segid " " and resid 1572 and name HA )) )( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) ) 5.000 5.000 0.000 peak 8225 weight 0.10000E+01 volume -0.34700E+00 ppm1 3.630 ppm2 6.782 ASSI ( (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB2 )) OR (( segid " " and resid 1572 and name HB1 )) )( (( segid " " and resid 1606 and name HN )) ) 6.000 6.000 0.000 peak 8049 weight 0.10000E+01 volume 0.23100E+00 ppm1 0.632 ppm2 7.522 ASSI ( (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB2 )) OR (( segid " " and resid 1572 and name HB1 )) )( (( segid " " and resid 1617 and name HB2 )) ) 5.000 5.000 0.000 peak 8234 weight 0.10000E+01 volume 0.34000E+00 ppm1 0.634 ppm2 2.375 ASSI ( (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB2 )) OR (( segid " " and resid 1572 and name HB1 )) )( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) ) 5.000 5.000 0.000 peak 8050 weight 0.10000E+01 volume 0.12250E+01 ppm1 0.642 ppm2 6.828 ASSI ( (( segid " " and resid 1573 and name HA )) )( (( segid " " and resid 1573 and name HG13)) OR (( segid " " and resid 1573 and name HG12)) OR (( segid " " and resid 1573 and name HG11)) ) 3.300 3.300 0.000 peak 8207 weight 0.10000E+01 volume -0.15620E+01 ppm1 3.759 ppm2 1.034 ASSI ( (( segid " " and resid 1573 and name HA )) )( (( segid " " and resid 1573 and name HN )) ) 5.000 5.000 0.000 peak 8200 weight 0.10000E+01 volume -0.47000E+00 ppm1 3.754 ppm2 7.024 ASSI ( (( segid " " and resid 1573 and name HB )) )( (( segid " " and resid 1573 and name HG13)) OR (( segid " " and resid 1573 and name HG12)) OR (( segid " " and resid 1573 and name HG11)) ) 2.700 2.700 0.000 peak 8215 weight 0.10000E+01 volume 0.30800E+01 ppm1 1.971 ppm2 1.038 ASSI ( (( segid " " and resid 1573 and name HG13)) OR (( segid " " and resid 1573 and name HG12)) OR (( segid " " and resid 1573 and name HG11)) )( (( segid " " and resid 1573 and name HN )) ) 5.000 5.000 0.000 peak 5629 weight 0.10000E+01 volume 0.11150E+01 ppm1 1.029 ppm2 7.012 ASSI ( (( segid " " and resid 1573 and name HG23)) OR (( segid " " and resid 1573 and name HG22)) OR (( segid " " and resid 1573 and name HG21)) )( (( segid " " and resid 1573 and name HN )) ) 5.000 5.000 0.000 peak 5240 weight 0.10000E+01 volume 0.64700E+00 ppm1 0.887 ppm2 7.004 ASSI ( (( segid " " and resid 1573 and name HG23)) OR (( segid " " and resid 1573 and name HG22)) OR (( segid " " and resid 1573 and name HG21)) )( (( segid " " and resid 1574 and name HN )) ) 5.000 5.000 0.000 peak 5626 weight 0.10000E+01 volume 0.74100E+00 ppm1 0.888 ppm2 8.161 ASSI ( (( segid " " and resid 1574 and name HA )) )( (( segid " " and resid 1574 and name HN )) ) 5.000 5.000 0.000 peak 5248 weight 0.10000E+01 volume -0.58100E+00 ppm1 4.440 ppm2 8.164 ASSI ( (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1574 and name HB1 )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 3.300 3.300 0.000 peak 8198 weight 0.10000E+01 volume 0.23620E+01 ppm1 1.085 ppm2 0.101 ASSI ( (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1574 and name HB1 )) )( (( segid " " and resid 1574 and name HN )) ) 5.000 5.000 0.000 peak 5627 weight 0.10000E+01 volume 0.12020E+01 ppm1 1.085 ppm2 8.157 ASSI ( (( segid " " and resid 1575 and name HB2 )) )( (( segid " " and resid 1575 and name HA )) ) 5.000 5.000 0.000 peak 8168 weight 0.10000E+01 volume 0.11020E+01 ppm1 1.743 ppm2 4.439 ASSI ( (( segid " " and resid 1575 and name HB1 )) )( (( segid " " and resid 1575 and name HN )) ) 5.000 5.000 0.000 peak 5586 weight 0.10000E+01 volume 0.62400E+00 ppm1 1.918 ppm2 7.832 ASSI ( (( segid " " and resid 1575 and name HG2 )) OR (( segid " " and resid 1575 and name HG1 )) )( (( segid " " and resid 1575 and name HA )) ) 3.300 3.300 0.000 peak 8175 weight 0.10000E+01 volume 0.16380E+01 ppm1 2.152 ppm2 4.448 ASSI ( (( segid " " and resid 1575 and name HG2 )) OR (( segid " " and resid 1575 and name HG1 )) )( (( segid " " and resid 1576 and name HN )) ) 5.000 5.000 0.000 peak 8176 weight 0.10000E+01 volume 0.64400E+00 ppm1 2.149 ppm2 8.907 ASSI ( (( segid " " and resid 1576 and name HA )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 8141 weight 0.10000E+01 volume -0.34900E+00 ppm1 3.547 ppm2 0.100 ASSI ( (( segid " " and resid 1576 and name HA )) )( (( segid " " and resid 1576 and name HB2 )) OR (( segid " " and resid 1576 and name HB1 )) ) 3.300 3.300 0.000 peak 8134 weight 0.10000E+01 volume -0.16090E+01 ppm1 3.546 ppm2 1.631 ASSI ( (( segid " " and resid 1576 and name HA )) )( (( segid " " and resid 1576 and name HG2 )) ) 5.000 5.000 0.000 peak 8145 weight 0.10000E+01 volume -0.82500E+00 ppm1 3.550 ppm2 1.187 ASSI ( (( segid " " and resid 1576 and name HA )) )( (( segid " " and resid 1576 and name HN )) ) 5.000 5.000 0.000 peak 6716 weight 0.10000E+01 volume -0.43000E+00 ppm1 3.546 ppm2 8.892 ASSI ( (( segid " " and resid 1576 and name HA )) )( (( segid " " and resid 1577 and name HA )) ) 5.000 5.000 0.000 peak 8130 weight 0.10000E+01 volume -0.31400E+00 ppm1 3.546 ppm2 4.136 ASSI ( (( segid " " and resid 1576 and name HB2 )) OR (( segid " " and resid 1576 and name HB1 )) )( (( segid " " and resid 1576 and name HE2 )) OR (( segid " " and resid 1576 and name HE1 )) ) 5.000 5.000 0.000 peak 8149 weight 0.10000E+01 volume 0.52600E+00 ppm1 1.617 ppm2 3.018 ASSI ( (( segid " " and resid 1576 and name HB2 )) OR (( segid " " and resid 1576 and name HB1 )) )( (( segid " " and resid 1576 and name HN )) ) 5.000 5.000 0.000 peak 8148 weight 0.10000E+01 volume 0.11980E+01 ppm1 1.625 ppm2 8.900 ASSI ( (( segid " " and resid 1576 and name HB2 )) OR (( segid " " and resid 1576 and name HB1 )) )( (( segid " " and resid 1577 and name HN )) ) 5.000 5.000 0.000 peak 5578 weight 0.10000E+01 volume 0.48400E+00 ppm1 1.628 ppm2 9.378 ASSI ( (( segid " " and resid 1576 and name HG1 )) )( (( segid " " and resid 1576 and name HA )) ) 5.000 5.000 0.000 peak 7668 weight 0.10000E+01 volume 0.37200E+00 ppm1 1.315 ppm2 3.562 ASSI ( (( segid " " and resid 1576 and name HG1 )) )( (( segid " " and resid 1576 and name HE2 )) OR (( segid " " and resid 1576 and name HE1 )) ) 5.000 5.000 0.000 peak 8158 weight 0.10000E+01 volume 0.10690E+01 ppm1 1.310 ppm2 3.014 ASSI ( (( segid " " and resid 1576 and name HG2 )) )( (( segid " " and resid 1576 and name HE2 )) OR (( segid " " and resid 1576 and name HE1 )) ) 5.000 5.000 0.000 peak 8159 weight 0.10000E+01 volume 0.76500E+00 ppm1 1.201 ppm2 2.994 ASSI ( (( segid " " and resid 1576 and name HG1 )) )( (( segid " " and resid 1576 and name HN )) ) 5.000 5.000 0.000 peak 5581 weight 0.10000E+01 volume 0.51800E+00 ppm1 1.305 ppm2 8.909 ASSI ( (( segid " " and resid 1576 and name HG2 )) )( (( segid " " and resid 1576 and name HN )) ) 6.000 6.000 0.000 peak 5582 weight 0.10000E+01 volume 0.26900E+00 ppm1 1.192 ppm2 8.909 ASSI ( (( segid " " and resid 1576 and name HG1 )) )( (( segid " " and resid 1577 and name HN )) ) 5.000 5.000 0.000 peak 8156 weight 0.10000E+01 volume 0.31800E+00 ppm1 1.311 ppm2 9.376 ASSI ( (( segid " " and resid 1576 and name HG2 )) )( (( segid " " and resid 1577 and name HN )) ) 6.000 6.000 0.000 peak 8157 weight 0.10000E+01 volume 0.25100E+00 ppm1 1.204 ppm2 9.393 ASSI ( (( segid " " and resid 1577 and name HA )) )( (( segid " " and resid 1577 and name HB2 )) ) 3.300 3.300 0.000 peak 5192 weight 0.10000E+01 volume -0.16800E+01 ppm1 4.154 ppm2 2.820 ASSI ( (( segid " " and resid 1577 and name HB2 )) )( (( segid " " and resid 1577 and name HN )) ) 5.000 5.000 0.000 peak 5577 weight 0.10000E+01 volume 0.38400E+00 ppm1 2.829 ppm2 9.366 ASSI ( (( segid " " and resid 1578 and name HB2 )) )( (( segid " " and resid 1578 and name HA )) ) 3.300 3.300 0.000 peak 8107 weight 0.10000E+01 volume -0.18340E+01 ppm1 3.820 ppm2 4.521 ASSI ( (( segid " " and resid 1578 and name HB2 )) )( (( segid " " and resid 1578 and name HB1 )) ) 2.700 2.700 0.000 peak 8108 weight 0.10000E+01 volume -0.68200E+01 ppm1 3.821 ppm2 4.008 ASSI ( (( segid " " and resid 1579 and name HA )) )( (( segid " " and resid 1563 and name HN )) ) 5.000 5.000 0.000 peak 2222 weight 0.10000E+01 volume -0.45400E+00 ppm1 5.284 ppm2 8.859 ASSI ( (( segid " " and resid 1579 and name HA )) )( (( segid " " and resid 1579 and name HG1 )) ) 5.000 5.000 0.000 peak 8075 weight 0.10000E+01 volume -0.82700E+00 ppm1 5.290 ppm2 2.227 ASSI ( (( segid " " and resid 1579 and name HA )) )( (( segid " " and resid 1579 and name HN )) ) 5.000 5.000 0.000 peak 8071 weight 0.10000E+01 volume -0.64400E+00 ppm1 5.293 ppm2 8.267 ASSI ( (( segid " " and resid 1579 and name HB2 )) OR (( segid " " and resid 1579 and name HB1 )) )( (( segid " " and resid 1580 and name HN )) ) 5.000 5.000 0.000 peak 7566 weight 0.10000E+01 volume 0.70900E+00 ppm1 1.925 ppm2 9.354 ASSI ( (( segid " " and resid 1579 and name HG2 )) )( (( segid " " and resid 1579 and name HA )) ) 5.000 5.000 0.000 peak 2001 weight 0.10000E+01 volume 0.52400E+00 ppm1 1.993 ppm2 5.295 ASSI ( (( segid " " and resid 1579 and name HG2 )) )( (( segid " " and resid 1579 and name HN )) ) 6.000 6.000 0.000 peak 8083 weight 0.10000E+01 volume 0.25900E+00 ppm1 1.997 ppm2 8.266 ASSI ( (( segid " " and resid 1580 and name HB )) )( (( segid " " and resid 1580 and name HA )) ) 5.000 5.000 0.000 peak 8040 weight 0.10000E+01 volume 0.90500E+00 ppm1 1.699 ppm2 4.796 ASSI ( (( segid " " and resid 1580 and name HB )) )( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) ) 5.000 5.000 0.000 peak 8044 weight 0.10000E+01 volume 0.10690E+01 ppm1 1.695 ppm2 0.188 ASSI ( (( segid " " and resid 1580 and name HB )) )( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) ) 3.300 3.300 0.000 peak 8045 weight 0.10000E+01 volume 0.21140E+01 ppm1 1.697 ppm2 0.643 ASSI ( (( segid " " and resid 1580 and name HB )) )( (( segid " " and resid 1619 and name HE2 )) OR (( segid " " and resid 1619 and name HE1 )) ) 5.000 5.000 0.000 peak 5044 weight 0.10000E+01 volume 0.63100E+00 ppm1 1.696 ppm2 6.186 ASSI ( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) )( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) ) 3.300 3.300 0.000 peak 8068 weight 0.10000E+01 volume 0.16890E+01 ppm1 0.180 ppm2 1.102 ASSI ( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) )( (( segid " " and resid 1580 and name HG11)) ) 3.300 3.300 0.000 peak 8069 weight 0.10000E+01 volume 0.20010E+01 ppm1 0.179 ppm2 0.945 ASSI ( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) )( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) ) 3.300 3.300 0.000 peak 8070 weight 0.10000E+01 volume 0.21360E+01 ppm1 0.176 ppm2 0.639 ASSI ( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) )( (( segid " " and resid 1580 and name HN )) ) 5.000 5.000 0.000 peak 8052 weight 0.10000E+01 volume 0.40800E+00 ppm1 0.174 ppm2 9.353 ASSI ( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) ) 5.000 5.000 0.000 peak 5091 weight 0.10000E+01 volume 0.79600E+00 ppm1 0.181 ppm2 7.151 ASSI ( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) )( (( segid " " and resid 1582 and name HZ )) ) 5.000 5.000 0.000 peak 5086 weight 0.10000E+01 volume 0.12140E+01 ppm1 0.180 ppm2 6.849 ASSI ( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) )( (( segid " " and resid 1619 and name HE2 )) OR (( segid " " and resid 1619 and name HE1 )) ) 5.000 5.000 0.000 peak 5041 weight 0.10000E+01 volume 0.47000E+00 ppm1 0.182 ppm2 6.185 ASSI ( (( segid " " and resid 1580 and name HG11)) )( (( segid " " and resid 1580 and name HN )) ) 5.000 5.000 0.000 peak 5524 weight 0.10000E+01 volume 0.69200E+00 ppm1 0.940 ppm2 9.353 ASSI ( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) )( (( segid " " and resid 1579 and name HA )) ) 5.000 5.000 0.000 peak 8051 weight 0.10000E+01 volume 0.34700E+00 ppm1 0.650 ppm2 5.294 ASSI ( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) )( (( segid " " and resid 1580 and name HN )) ) 5.000 5.000 0.000 peak 8048 weight 0.10000E+01 volume 0.47200E+00 ppm1 0.644 ppm2 9.360 ASSI ( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) )( (( segid " " and resid 1581 and name HN )) ) 5.000 5.000 0.000 peak 5511 weight 0.10000E+01 volume 0.49400E+00 ppm1 0.647 ppm2 8.321 ASSI ( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) )( (( segid " " and resid 1619 and name HE2 )) OR (( segid " " and resid 1619 and name HE1 )) ) 5.000 5.000 0.000 peak 5043 weight 0.10000E+01 volume 0.80000E+00 ppm1 0.643 ppm2 6.186 ASSI ( (( segid " " and resid 1581 and name HA )) )( (( segid " " and resid 1560 and name HD1 )) ) 5.000 5.000 0.000 peak 8021 weight 0.10000E+01 volume -0.47200E+00 ppm1 5.365 ppm2 1.633 ASSI ( (( segid " " and resid 1581 and name HA )) )( (( segid " " and resid 1560 and name HG2 )) OR (( segid " " and resid 1560 and name HG1 )) ) 5.000 5.000 0.000 peak 8023 weight 0.10000E+01 volume -0.36800E+00 ppm1 5.367 ppm2 1.387 ASSI ( (( segid " " and resid 1581 and name HA )) )( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) ) 3.300 3.300 0.000 peak 8025 weight 0.10000E+01 volume -0.16840E+01 ppm1 5.367 ppm2 1.089 ASSI ( (( segid " " and resid 1581 and name HB )) )( (( segid " " and resid 1581 and name HA )) ) 5.000 5.000 0.000 peak 8027 weight 0.10000E+01 volume -0.53700E+00 ppm1 3.974 ppm2 5.370 ASSI ( (( segid " " and resid 1582 and name HA )) )( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) ) 6.000 6.000 0.000 peak 7992 weight 0.10000E+01 volume -0.19600E+00 ppm1 5.978 ppm2 1.089 ASSI ( (( segid " " and resid 1582 and name HA )) )( (( segid " " and resid 1582 and name HB1 )) ) 5.000 5.000 0.000 peak 4576 weight 0.10000E+01 volume -0.48000E+00 ppm1 5.972 ppm2 3.168 ASSI ( (( segid " " and resid 1582 and name HA )) )( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 5.000 5.000 0.000 peak 4579 weight 0.10000E+01 volume -0.44900E+00 ppm1 5.978 ppm2 7.171 ASSI ( (( segid " " and resid 1582 and name HA )) )( (( segid " " and resid 1582 and name HN )) ) 5.000 5.000 0.000 peak 7996 weight 0.10000E+01 volume -0.31400E+00 ppm1 5.987 ppm2 9.417 ASSI ( (( segid " " and resid 1582 and name HA )) )( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 7991 weight 0.10000E+01 volume -0.35600E+00 ppm1 5.979 ppm2 0.693 ASSI ( (( segid " " and resid 1582 and name HA )) )( (( segid " " and resid 1619 and name HB2 )) ) 5.000 5.000 0.000 peak 4574 weight 0.10000E+01 volume -0.30800E+00 ppm1 5.978 ppm2 2.627 ASSI ( (( segid " " and resid 1582 and name HB1 )) )( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 5.000 5.000 0.000 peak 4582 weight 0.10000E+01 volume 0.35300E+00 ppm1 3.178 ppm2 6.877 ASSI ( (( segid " " and resid 1582 and name HB2 )) )( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 6.000 6.000 0.000 peak 4581 weight 0.10000E+01 volume 0.20200E+00 ppm1 3.037 ppm2 6.878 ASSI ( (( segid " " and resid 1582 and name HB1 )) )( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 5.000 5.000 0.000 peak 4578 weight 0.10000E+01 volume 0.67500E+00 ppm1 3.178 ppm2 7.152 ASSI ( (( segid " " and resid 1582 and name HB1 )) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) ) 5.000 5.000 0.000 peak 4585 weight 0.10000E+01 volume 0.89700E+00 ppm1 3.171 ppm2 0.791 ASSI ( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) )( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) ) 5.000 5.000 0.000 peak 4588 weight 0.10000E+01 volume -0.59900E+00 ppm1 7.149 ppm2 1.385 ASSI ( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) )( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) ) 5.000 5.000 0.000 peak 8010 weight 0.10000E+01 volume -0.41500E+00 ppm1 7.151 ppm2 0.646 ASSI ( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) )( (( segid " " and resid 1582 and name HB2 )) ) 5.000 5.000 0.000 peak 4584 weight 0.10000E+01 volume -0.90000E+00 ppm1 7.149 ppm2 3.016 ASSI ( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) )( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) ) 5.000 5.000 0.000 peak 5089 weight 0.10000E+01 volume -0.49500E+00 ppm1 7.155 ppm2 1.110 ASSI ( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) )( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) ) 5.000 5.000 0.000 peak 5088 weight 0.10000E+01 volume -0.68800E+00 ppm1 7.155 ppm2 1.386 ASSI ( (( segid " " and resid 1583 and name HA )) )( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 7919 weight 0.10000E+01 volume -0.10430E+01 ppm1 5.772 ppm2 0.692 ASSI ( (( segid " " and resid 1583 and name HB )) )( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) ) 5.000 5.000 0.000 peak 7922 weight 0.10000E+01 volume 0.88600E+00 ppm1 1.418 ppm2 0.198 ASSI ( (( segid " " and resid 1583 and name HB )) )( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 3.300 3.300 0.000 peak 7924 weight 0.10000E+01 volume 0.24960E+01 ppm1 1.422 ppm2 0.692 ASSI ( (( segid " " and resid 1583 and name HB )) )( (( segid " " and resid 1583 and name HN )) ) 5.000 5.000 0.000 peak 5740 weight 0.10000E+01 volume 0.52100E+00 ppm1 1.427 ppm2 8.609 ASSI ( (( segid " " and resid 1583 and name HB )) )( (( segid " " and resid 1584 and name HN )) ) 5.000 5.000 0.000 peak 7929 weight 0.10000E+01 volume 0.41000E+00 ppm1 1.419 ppm2 9.056 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1558 and name HE2 )) OR (( segid " " and resid 1558 and name HE1 )) ) 5.000 5.000 0.000 peak 7980 weight 0.10000E+01 volume 0.56400E+00 ppm1 0.212 ppm2 2.672 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1583 and name HG12)) ) 3.300 3.300 0.000 peak 7967 weight 0.10000E+01 volume 0.19940E+01 ppm1 0.215 ppm2 0.840 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 2.700 2.700 0.000 peak 7966 weight 0.10000E+01 volume 0.37520E+01 ppm1 0.219 ppm2 0.692 ASSI ( (( segid " " and resid 1583 and name HG11)) )( (( segid " " and resid 1583 and name HA )) ) 5.000 5.000 0.000 peak 7944 weight 0.10000E+01 volume 0.44400E+00 ppm1 1.482 ppm2 5.744 ASSI ( (( segid " " and resid 1583 and name HG11)) )( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) ) 5.000 5.000 0.000 peak 7932 weight 0.10000E+01 volume 0.11010E+01 ppm1 1.481 ppm2 0.200 ASSI ( (( segid " " and resid 1583 and name HG12)) )( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 3.300 3.300 0.000 peak 7936 weight 0.10000E+01 volume 0.18600E+01 ppm1 0.832 ppm2 0.691 ASSI ( (( segid " " and resid 1583 and name HG12)) )( (( segid " " and resid 1583 and name HN )) ) 5.000 5.000 0.000 peak 7945 weight 0.10000E+01 volume 0.41000E+00 ppm1 0.839 ppm2 8.611 ASSI ( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) )( (( segid " " and resid 1620 and name HA )) ) 5.000 5.000 0.000 peak 7961 weight 0.10000E+01 volume 0.76000E+00 ppm1 0.697 ppm2 4.971 ASSI ( (( segid " " and resid 1584 and name HA )) )( (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) ) 3.300 3.300 0.000 peak 7861 weight 0.10000E+01 volume -0.16330E+01 ppm1 5.145 ppm2 2.044 ASSI ( (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) )( (( segid " " and resid 1584 and name HE2 )) ) 5.000 5.000 0.000 peak 7899 weight 0.10000E+01 volume 0.40300E+00 ppm1 2.038 ppm2 2.970 ASSI ( (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) )( (( segid " " and resid 1584 and name HG1 )) ) 3.300 3.300 0.000 peak 7900 weight 0.10000E+01 volume 0.21440E+01 ppm1 2.046 ppm2 1.787 ASSI ( (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) )( (( segid " " and resid 1584 and name HG2 )) ) 5.000 5.000 0.000 peak 7901 weight 0.10000E+01 volume 0.69700E+00 ppm1 2.034 ppm2 1.580 ASSI ( (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) )( (( segid " " and resid 1585 and name HN )) ) 5.000 5.000 0.000 peak 7884 weight 0.10000E+01 volume 0.50700E+00 ppm1 2.042 ppm2 8.956 ASSI ( (( segid " " and resid 1584 and name HE1 )) )( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) ) 5.000 5.000 0.000 peak 7893 weight 0.10000E+01 volume 0.35700E+00 ppm1 3.175 ppm2 0.393 ASSI ( (( segid " " and resid 1584 and name HE2 )) )( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) ) 5.000 5.000 0.000 peak 7894 weight 0.10000E+01 volume 0.31300E+00 ppm1 2.962 ppm2 0.389 ASSI ( (( segid " " and resid 1584 and name HG2 )) )( (( segid " " and resid 1584 and name HE2 )) ) 5.000 5.000 0.000 peak 7906 weight 0.10000E+01 volume 0.46900E+00 ppm1 1.584 ppm2 2.971 ASSI ( (( segid " " and resid 1584 and name HG2 )) )( (( segid " " and resid 1584 and name HG1 )) ) 3.300 3.300 0.000 peak 7907 weight 0.10000E+01 volume 0.21840E+01 ppm1 1.580 ppm2 1.782 ASSI ( (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) )( (( segid " " and resid 1584 and name HA )) ) 6.000 6.000 0.000 peak 7858 weight 0.10000E+01 volume 0.27700E+00 ppm1 2.015 ppm2 5.146 ASSI ( (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) )( (( segid " " and resid 1585 and name HA )) ) 5.000 5.000 0.000 peak 7855 weight 0.10000E+01 volume 0.13570E+01 ppm1 2.014 ppm2 4.650 ASSI ( (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) )( (( segid " " and resid 1585 and name HG2 )) ) 5.000 5.000 0.000 peak 6263 weight 0.10000E+01 volume 0.94000E+00 ppm1 2.018 ppm2 1.468 ASSI ( (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) )( (( segid " " and resid 1585 and name HN )) ) 5.000 5.000 0.000 peak 7860 weight 0.10000E+01 volume 0.98100E+00 ppm1 2.016 ppm2 8.932 ASSI ( (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) )( (( segid " " and resid 1586 and name HN )) ) 5.000 5.000 0.000 peak 7859 weight 0.10000E+01 volume 0.42400E+00 ppm1 2.023 ppm2 8.462 ASSI ( (( segid " " and resid 1585 and name HG2 )) )( (( segid " " and resid 1585 and name HA )) ) 5.000 5.000 0.000 peak 7864 weight 0.10000E+01 volume 0.61800E+00 ppm1 1.468 ppm2 4.652 ASSI ( (( segid " " and resid 1585 and name HG1 )) )( (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) ) 5.000 5.000 0.000 peak 7873 weight 0.10000E+01 volume 0.33900E+00 ppm1 1.747 ppm2 2.967 ASSI ( (( segid " " and resid 1585 and name HG1 )) )( (( segid " " and resid 1585 and name HG2 )) ) 3.300 3.300 0.000 peak 7876 weight 0.10000E+01 volume 0.25920E+01 ppm1 1.750 ppm2 1.460 ASSI ( (( segid " " and resid 1586 and name HA )) )( (( segid " " and resid 1586 and name HB )) ) 3.300 3.300 0.000 peak 7840 weight 0.10000E+01 volume -0.17620E+01 ppm1 3.781 ppm2 1.834 ASSI ( (( segid " " and resid 1586 and name HB )) )( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) ) 2.700 2.700 0.000 peak 7842 weight 0.10000E+01 volume 0.41980E+01 ppm1 1.843 ppm2 0.890 ASSI ( (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) )( (( segid " " and resid 1556 and name HA )) ) 6.000 6.000 0.000 peak 7848 weight 0.10000E+01 volume 0.20200E+00 ppm1 0.902 ppm2 5.442 ASSI ( (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) )( (( segid " " and resid 1586 and name HN )) ) 5.000 5.000 0.000 peak 7847 weight 0.10000E+01 volume 0.14610E+01 ppm1 0.902 ppm2 8.463 ASSI ( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) )( (( segid " " and resid 1556 and name HA )) ) 5.000 5.000 0.000 peak 7849 weight 0.10000E+01 volume 0.36500E+00 ppm1 0.856 ppm2 5.442 ASSI ( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) )( (( segid " " and resid 1586 and name HN )) ) 5.000 5.000 0.000 peak 5479 weight 0.10000E+01 volume 0.10490E+01 ppm1 0.859 ppm2 8.462 ASSI ( (( segid " " and resid 1587 and name HA )) )( (( segid " " and resid 1587 and name HB )) ) 3.300 3.300 0.000 peak 6323 weight 0.10000E+01 volume -0.22900E+01 ppm1 4.096 ppm2 4.423 ASSI ( (( segid " " and resid 1587 and name HA )) )( (( segid " " and resid 1587 and name HG23)) OR (( segid " " and resid 1587 and name HG22)) OR (( segid " " and resid 1587 and name HG21)) ) 2.700 2.700 0.000 peak 7833 weight 0.10000E+01 volume -0.39780E+01 ppm1 4.097 ppm2 1.236 ASSI ( (( segid " " and resid 1587 and name HA )) )( (( segid " " and resid 1588 and name HN )) ) 5.000 5.000 0.000 peak 6312 weight 0.10000E+01 volume -0.35100E+00 ppm1 4.099 ppm2 7.769 ASSI ( (( segid " " and resid 1587 and name HG23)) OR (( segid " " and resid 1587 and name HG22)) OR (( segid " " and resid 1587 and name HG21)) )( (( segid " " and resid 1587 and name HB )) ) 2.700 2.700 0.000 peak 7839 weight 0.10000E+01 volume 0.31720E+01 ppm1 1.241 ppm2 4.430 ASSI ( (( segid " " and resid 1588 and name HA )) )( (( segid " " and resid 1588 and name HB1 )) ) 5.000 5.000 0.000 peak 7818 weight 0.10000E+01 volume -0.90600E+00 ppm1 5.145 ppm2 3.546 ASSI ( (( segid " " and resid 1588 and name HA )) )( (( segid " " and resid 1588 and name HB2 )) ) 5.000 5.000 0.000 peak 7819 weight 0.10000E+01 volume -0.47800E+00 ppm1 5.149 ppm2 3.017 ASSI ( (( segid " " and resid 1588 and name HB2 )) )( (( segid " " and resid 1588 and name HB1 )) ) 3.300 3.300 0.000 peak 5193 weight 0.10000E+01 volume 0.19810E+01 ppm1 3.013 ppm2 3.563 ASSI ( (( segid " " and resid 1590 and name HA )) )( (( segid " " and resid 1590 and name HB1 )) ) 5.000 5.000 0.000 peak 7792 weight 0.10000E+01 volume -0.69300E+00 ppm1 4.838 ppm2 3.018 ASSI ( (( segid " " and resid 1590 and name HB1 )) )( (( segid " " and resid 1516 and name HA )) ) 5.000 5.000 0.000 peak 7797 weight 0.10000E+01 volume 0.78300E+00 ppm1 3.008 ppm2 4.470 ASSI ( (( segid " " and resid 1590 and name HB2 )) )( (( segid " " and resid 1516 and name HA )) ) 5.000 5.000 0.000 peak 7795 weight 0.10000E+01 volume 0.34000E+00 ppm1 2.713 ppm2 4.503 ASSI ( (( segid " " and resid 1590 and name HB2 )) )( (( segid " " and resid 1590 and name HA )) ) 5.000 5.000 0.000 peak 5142 weight 0.10000E+01 volume 0.92800E+00 ppm1 2.720 ppm2 4.838 ASSI ( (( segid " " and resid 1590 and name HB2 )) )( (( segid " " and resid 1590 and name HB1 )) ) 2.700 2.700 0.000 peak 7800 weight 0.10000E+01 volume 0.52430E+01 ppm1 2.721 ppm2 3.009 ASSI ( (( segid " " and resid 1591 and name HA )) )( (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) ) 3.300 3.300 0.000 peak 7780 weight 0.10000E+01 volume -0.17780E+01 ppm1 4.195 ppm2 0.891 ASSI ( (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) )( (( segid " " and resid 1516 and name HA )) ) 5.000 5.000 0.000 peak 7784 weight 0.10000E+01 volume 0.82000E+00 ppm1 0.905 ppm2 4.474 ASSI ( (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) )( (( segid " " and resid 1517 and name HN )) ) 5.000 5.000 0.000 peak 7783 weight 0.10000E+01 volume 0.39400E+00 ppm1 0.907 ppm2 8.411 ASSI ( (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) )( (( segid " " and resid 1592 and name HN )) ) 5.000 5.000 0.000 peak 5434 weight 0.10000E+01 volume 0.32000E+00 ppm1 0.906 ppm2 7.944 ASSI ( (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) )( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) ) 5.000 5.000 0.000 peak 7789 weight 0.10000E+01 volume 0.49800E+00 ppm1 0.907 ppm2 -0.297 ASSI ( (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 5.000 5.000 0.000 peak 7790 weight 0.10000E+01 volume 0.43400E+00 ppm1 0.903 ppm2 -0.445 ASSI ( (( segid " " and resid 1592 and name HA )) )( (( segid " " and resid 1592 and name HB1 )) ) 3.300 3.300 0.000 peak 7754 weight 0.10000E+01 volume -0.20300E+01 ppm1 4.316 ppm2 1.880 ASSI ( (( segid " " and resid 1592 and name HA )) )( (( segid " " and resid 1592 and name HB2 )) ) 3.300 3.300 0.000 peak 7755 weight 0.10000E+01 volume -0.18190E+01 ppm1 4.310 ppm2 1.781 ASSI ( (( segid " " and resid 1592 and name HA )) )( (( segid " " and resid 1592 and name HG2 )) OR (( segid " " and resid 1592 and name HG1 )) ) 5.000 5.000 0.000 peak 7750 weight 0.10000E+01 volume -0.53200E+00 ppm1 4.310 ppm2 2.078 ASSI ( (( segid " " and resid 1592 and name HA )) )( (( segid " " and resid 1593 and name HG )) ) 6.000 6.000 0.000 peak 7756 weight 0.10000E+01 volume -0.28700E+00 ppm1 4.305 ppm2 0.494 ASSI ( (( segid " " and resid 1592 and name HB2 )) )( (( segid " " and resid 1592 and name HN )) ) 5.000 5.000 0.000 peak 5414 weight 0.10000E+01 volume 0.11090E+01 ppm1 1.779 ppm2 7.938 ASSI ( (( segid " " and resid 1592 and name HG2 )) )( (( segid " " and resid 1592 and name HA )) ) 5.000 5.000 0.000 peak 7762 weight 0.10000E+01 volume 0.82800E+00 ppm1 2.058 ppm2 4.305 ASSI ( (( segid " " and resid 1592 and name HG1 )) )( (( segid " " and resid 1592 and name HN )) ) 5.000 5.000 0.000 peak 7765 weight 0.10000E+01 volume 0.75000E+00 ppm1 2.111 ppm2 7.964 ASSI ( (( segid " " and resid 1592 and name HG2 )) )( (( segid " " and resid 1592 and name HN )) ) 5.000 5.000 0.000 peak 7766 weight 0.10000E+01 volume 0.43800E+00 ppm1 2.054 ppm2 7.969 ASSI ( (( segid " " and resid 1593 and name HA )) )( (( segid " " and resid 1593 and name HB1 )) ) 5.000 5.000 0.000 peak 7695 weight 0.10000E+01 volume -0.57800E+00 ppm1 3.947 ppm2 0.814 ASSI ( (( segid " " and resid 1593 and name HA )) )( (( segid " " and resid 1593 and name HB2 )) ) 5.000 5.000 0.000 peak 7696 weight 0.10000E+01 volume -0.85800E+00 ppm1 3.945 ppm2 0.594 ASSI ( (( segid " " and resid 1593 and name HA )) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 5.000 5.000 0.000 peak 7698 weight 0.10000E+01 volume -0.52100E+00 ppm1 3.950 ppm2 -0.446 ASSI ( (( segid " " and resid 1593 and name HA )) )( (( segid " " and resid 1593 and name HG )) ) 5.000 5.000 0.000 peak 7697 weight 0.10000E+01 volume -0.39200E+00 ppm1 3.948 ppm2 0.488 ASSI ( (( segid " " and resid 1593 and name HB1 )) )( (( segid " " and resid 1593 and name HB2 )) ) 3.300 3.300 0.000 peak 7707 weight 0.10000E+01 volume 0.16810E+01 ppm1 0.814 ppm2 0.599 ASSI ( (( segid " " and resid 1593 and name HB1 )) )( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) ) 5.000 5.000 0.000 peak 7712 weight 0.10000E+01 volume 0.38500E+00 ppm1 0.820 ppm2 -0.294 ASSI ( (( segid " " and resid 1593 and name HB1 )) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 6.000 6.000 0.000 peak 7715 weight 0.10000E+01 volume 0.21300E+00 ppm1 0.815 ppm2 -0.445 ASSI ( (( segid " " and resid 1593 and name HB2 )) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 5.000 5.000 0.000 peak 7714 weight 0.10000E+01 volume 0.35300E+00 ppm1 0.604 ppm2 -0.447 ASSI ( (( segid " " and resid 1593 and name HG )) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 5.000 5.000 0.000 peak 7722 weight 0.10000E+01 volume 0.75400E+00 ppm1 0.490 ppm2 -0.446 ASSI ( (( segid " " and resid 1594 and name HA )) )( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) ) 3.300 3.300 0.000 peak 7681 weight 0.10000E+01 volume -0.18340E+01 ppm1 4.028 ppm2 1.085 ASSI ( (( segid " " and resid 1594 and name HB )) )( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) ) 3.300 3.300 0.000 peak 7688 weight 0.10000E+01 volume 0.16030E+01 ppm1 1.782 ppm2 0.878 ASSI ( (( segid " " and resid 1594 and name HB )) )( (( segid " " and resid 1594 and name HG23)) OR (( segid " " and resid 1594 and name HG22)) OR (( segid " " and resid 1594 and name HG21)) ) 3.300 3.300 0.000 peak 7687 weight 0.10000E+01 volume 0.17490E+01 ppm1 1.777 ppm2 0.986 ASSI ( (( segid " " and resid 1594 and name HG23)) OR (( segid " " and resid 1594 and name HG22)) OR (( segid " " and resid 1594 and name HG21)) )( (( segid " " and resid 1594 and name HN )) ) 5.000 5.000 0.000 peak 5416 weight 0.10000E+01 volume 0.37700E+00 ppm1 0.973 ppm2 7.918 ASSI ( (( segid " " and resid 1595 and name HA )) )( (( segid " " and resid 1595 and name HB2 )) ) 5.000 5.000 0.000 peak 7650 weight 0.10000E+01 volume -0.99300E+00 ppm1 3.717 ppm2 1.683 ASSI ( (( segid " " and resid 1595 and name HA )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) ) 5.000 5.000 0.000 peak 7654 weight 0.10000E+01 volume -0.11990E+01 ppm1 3.720 ppm2 1.314 ASSI ( (( segid " " and resid 1595 and name HA )) )( (( segid " " and resid 1595 and name HN )) ) 5.000 5.000 0.000 peak 7656 weight 0.10000E+01 volume -0.44100E+00 ppm1 3.719 ppm2 8.536 ASSI ( (( segid " " and resid 1595 and name HB1 )) )( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) ) 5.000 5.000 0.000 peak 7663 weight 0.10000E+01 volume 0.68700E+00 ppm1 1.814 ppm2 1.086 ASSI ( (( segid " " and resid 1595 and name HB1 )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) ) 5.000 5.000 0.000 peak 7662 weight 0.10000E+01 volume 0.13330E+01 ppm1 1.822 ppm2 1.331 ASSI ( (( segid " " and resid 1595 and name HD1 )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) ) 3.300 3.300 0.000 peak 7672 weight 0.10000E+01 volume 0.15640E+01 ppm1 1.804 ppm2 1.321 ASSI ( (( segid " " and resid 1595 and name HD2 )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) ) 3.300 3.300 0.000 peak 7674 weight 0.10000E+01 volume 0.22530E+01 ppm1 1.718 ppm2 1.323 ASSI ( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) )( (( segid " " and resid 1595 and name HE2 )) OR (( segid " " and resid 1595 and name HE1 )) ) 3.300 3.300 0.000 peak 7670 weight 0.10000E+01 volume 0.16080E+01 ppm1 1.320 ppm2 3.080 ASSI ( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) )( (( segid " " and resid 1595 and name HN )) ) 5.000 5.000 0.000 peak 7666 weight 0.10000E+01 volume 0.79000E+00 ppm1 1.316 ppm2 8.525 ASSI ( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) )( (( segid " " and resid 1596 and name HN )) ) 5.000 5.000 0.000 peak 5395 weight 0.10000E+01 volume 0.84300E+00 ppm1 1.322 ppm2 9.156 ASSI ( (( segid " " and resid 1596 and name HA2 )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) ) 5.000 5.000 0.000 peak 7642 weight 0.10000E+01 volume 0.40100E+00 ppm1 3.831 ppm2 1.335 ASSI ( (( segid " " and resid 1596 and name HA2 )) )( (( segid " " and resid 1596 and name HA1 )) ) 2.700 2.700 0.000 peak 7636 weight 0.10000E+01 volume 0.47070E+01 ppm1 3.827 ppm2 4.398 ASSI ( (( segid " " and resid 1596 and name HA1 )) )( (( segid " " and resid 1596 and name HN )) ) 5.000 5.000 0.000 peak 7639 weight 0.10000E+01 volume 0.11600E+01 ppm1 4.390 ppm2 9.166 ASSI ( (( segid " " and resid 1596 and name HA2 )) )( (( segid " " and resid 1597 and name HN )) ) 5.000 5.000 0.000 peak 5382 weight 0.10000E+01 volume 0.31400E+00 ppm1 3.821 ppm2 8.018 ASSI ( (( segid " " and resid 1597 and name HB2 )) )( (( segid " " and resid 1597 and name HB1 )) ) 3.300 3.300 0.000 peak 7446 weight 0.10000E+01 volume 0.17190E+01 ppm1 1.594 ppm2 2.226 ASSI ( (( segid " " and resid 1597 and name HB2 )) )( (( segid " " and resid 1597 and name HD1 )) ) 5.000 5.000 0.000 peak 7444 weight 0.10000E+01 volume 0.89000E+00 ppm1 1.592 ppm2 2.872 ASSI ( (( segid " " and resid 1597 and name HB2 )) )( (( segid " " and resid 1597 and name HD2 )) ) 5.000 5.000 0.000 peak 7445 weight 0.10000E+01 volume 0.60200E+00 ppm1 1.595 ppm2 2.554 ASSI ( (( segid " " and resid 1597 and name HB2 )) )( (( segid " " and resid 1597 and name HN )) ) 6.000 6.000 0.000 peak 5384 weight 0.10000E+01 volume 0.18300E+00 ppm1 1.600 ppm2 8.057 ASSI ( (( segid " " and resid 1597 and name HD2 )) )( (( segid " " and resid 1597 and name HB1 )) ) 5.000 5.000 0.000 peak 7453 weight 0.10000E+01 volume 0.48600E+00 ppm1 2.536 ppm2 2.233 ASSI ( (( segid " " and resid 1597 and name HD2 )) )( (( segid " " and resid 1597 and name HD1 )) ) 3.300 3.300 0.000 peak 5576 weight 0.10000E+01 volume 0.19040E+01 ppm1 2.537 ppm2 2.869 ASSI ( (( segid " " and resid 1597 and name HD1 )) )( (( segid " " and resid 1597 and name HG1 )) ) 3.300 3.300 0.000 peak 7449 weight 0.10000E+01 volume 0.17080E+01 ppm1 2.872 ppm2 1.778 ASSI ( (( segid " " and resid 1597 and name HD2 )) )( (( segid " " and resid 1597 and name HG1 )) ) 5.000 5.000 0.000 peak 7451 weight 0.10000E+01 volume 0.10910E+01 ppm1 2.536 ppm2 1.779 ASSI ( (( segid " " and resid 1597 and name HG2 )) )( (( segid " " and resid 1597 and name HD2 )) ) 5.000 5.000 0.000 peak 7437 weight 0.10000E+01 volume 0.10610E+01 ppm1 1.603 ppm2 2.524 ASSI ( (( segid " " and resid 1598 and name HA )) )( (( segid " " and resid 1598 and name HB2 )) ) 5.000 5.000 0.000 peak 7597 weight 0.10000E+01 volume -0.83900E+00 ppm1 5.756 ppm2 1.778 ASSI ( (( segid " " and resid 1598 and name HA )) )( (( segid " " and resid 1598 and name HG2 )) ) 5.000 5.000 0.000 peak 7596 weight 0.10000E+01 volume -0.65500E+00 ppm1 5.765 ppm2 1.954 ASSI ( (( segid " " and resid 1598 and name HB1 )) )( (( segid " " and resid 1598 and name HA )) ) 5.000 5.000 0.000 peak 5053 weight 0.10000E+01 volume 0.56800E+00 ppm1 2.583 ppm2 5.741 ASSI ( (( segid " " and resid 1598 and name HB1 )) )( (( segid " " and resid 1598 and name HE22)) ) 5.000 5.000 0.000 peak 5151 weight 0.10000E+01 volume 0.66800E+00 ppm1 2.590 ppm2 6.612 ASSI ( (( segid " " and resid 1598 and name HB2 )) )( (( segid " " and resid 1598 and name HE22)) ) 5.000 5.000 0.000 peak 5110 weight 0.10000E+01 volume 0.44100E+00 ppm1 1.768 ppm2 6.618 ASSI ( (( segid " " and resid 1598 and name HB1 )) )( (( segid " " and resid 1598 and name HN )) ) 5.000 5.000 0.000 peak 7611 weight 0.10000E+01 volume 0.65000E+00 ppm1 2.584 ppm2 8.461 ASSI ( (( segid " " and resid 1598 and name HB2 )) )( (( segid " " and resid 1599 and name HN )) ) 5.000 5.000 0.000 peak 5352 weight 0.10000E+01 volume 0.46400E+00 ppm1 1.769 ppm2 8.809 ASSI ( (( segid " " and resid 1598 and name HG2 )) )( (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) ) 5.000 5.000 0.000 peak 7345 weight 0.10000E+01 volume 0.12430E+01 ppm1 1.971 ppm2 0.676 ASSI ( (( segid " " and resid 1598 and name HG1 )) )( (( segid " " and resid 1598 and name HA )) ) 5.000 5.000 0.000 peak 7622 weight 0.10000E+01 volume 0.42400E+00 ppm1 2.570 ppm2 5.748 ASSI ( (( segid " " and resid 1598 and name HG1 )) )( (( segid " " and resid 1598 and name HB2 )) ) 5.000 5.000 0.000 peak 7618 weight 0.10000E+01 volume 0.12420E+01 ppm1 2.560 ppm2 1.781 ASSI ( (( segid " " and resid 1598 and name HG2 )) )( (( segid " " and resid 1598 and name HE21)) ) 6.000 6.000 0.000 peak 7620 weight 0.10000E+01 volume 0.15800E+00 ppm1 1.964 ppm2 6.880 ASSI ( (( segid " " and resid 1598 and name HG1 )) )( (( segid " " and resid 1598 and name HE22)) ) 6.000 6.000 0.000 peak 7619 weight 0.10000E+01 volume 0.23800E+00 ppm1 2.561 ppm2 6.624 ASSI ( (( segid " " and resid 1598 and name HG2 )) )( (( segid " " and resid 1598 and name HE22)) ) 5.000 5.000 0.000 peak 6154 weight 0.10000E+01 volume 0.39900E+00 ppm1 1.970 ppm2 6.631 ASSI ( (( segid " " and resid 1598 and name HG1 )) )( (( segid " " and resid 1598 and name HN )) ) 5.000 5.000 0.000 peak 5367 weight 0.10000E+01 volume 0.63100E+00 ppm1 2.566 ppm2 8.491 ASSI ( (( segid " " and resid 1598 and name HG2 )) )( (( segid " " and resid 1598 and name HN )) ) 5.000 5.000 0.000 peak 5366 weight 0.10000E+01 volume 0.67900E+00 ppm1 1.976 ppm2 8.488 ASSI ( (( segid " " and resid 1599 and name HA )) )( (( segid " " and resid 1599 and name HB1 )) ) 5.000 5.000 0.000 peak 7417 weight 0.10000E+01 volume -0.10830E+01 ppm1 5.492 ppm2 2.870 ASSI ( (( segid " " and resid 1599 and name HA )) )( (( segid " " and resid 1599 and name HB2 )) ) 5.000 5.000 0.000 peak 7418 weight 0.10000E+01 volume -0.62800E+00 ppm1 5.494 ppm2 2.206 ASSI ( (( segid " " and resid 1599 and name HA )) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 7416 weight 0.10000E+01 volume -0.94700E+00 ppm1 5.495 ppm2 6.740 ASSI ( (( segid " " and resid 1599 and name HA )) )( (( segid " " and resid 1599 and name HN )) ) 3.300 3.300 0.000 peak 4753 weight 0.10000E+01 volume -0.18520E+01 ppm1 5.473 ppm2 8.809 ASSI ( (( segid " " and resid 1599 and name HA )) )( (( segid " " and resid 1630 and name HN )) ) 5.000 5.000 0.000 peak 7413 weight 0.10000E+01 volume -0.88000E+00 ppm1 5.493 ppm2 8.419 ASSI ( (( segid " " and resid 1599 and name HB1 )) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 4590 weight 0.10000E+01 volume 0.12250E+01 ppm1 2.874 ppm2 6.739 ASSI ( (( segid " " and resid 1599 and name HB2 )) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 4592 weight 0.10000E+01 volume 0.79200E+00 ppm1 2.218 ppm2 6.734 ASSI ( (( segid " " and resid 1599 and name HB2 )) )( (( segid " " and resid 1600 and name HN )) ) 5.000 5.000 0.000 peak 4601 weight 0.10000E+01 volume 0.38700E+00 ppm1 2.217 ppm2 9.873 ASSI ( (( segid " " and resid 1599 and name HB1 )) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 5.000 5.000 0.000 peak 4599 weight 0.10000E+01 volume 0.39900E+00 ppm1 2.878 ppm2 -0.070 ASSI ( (( segid " " and resid 1599 and name HB2 )) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 5.000 5.000 0.000 peak 4598 weight 0.10000E+01 volume 0.50900E+00 ppm1 2.218 ppm2 -0.051 ASSI ( (( segid " " and resid 1600 and name HA )) )( (( segid " " and resid 1600 and name HB1 )) ) 5.000 5.000 0.000 peak 7517 weight 0.10000E+01 volume -0.48200E+00 ppm1 5.648 ppm2 2.375 ASSI ( (( segid " " and resid 1600 and name HA )) )( (( segid " " and resid 1600 and name HB2 )) ) 5.000 5.000 0.000 peak 7525 weight 0.10000E+01 volume -0.75200E+00 ppm1 5.644 ppm2 2.028 ASSI ( (( segid " " and resid 1600 and name HA )) )( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) ) 5.000 5.000 0.000 peak 5055 weight 0.10000E+01 volume -0.11270E+01 ppm1 5.642 ppm2 1.284 ASSI ( (( segid " " and resid 1600 and name HA )) )( (( segid " " and resid 1601 and name HN )) ) 3.300 3.300 0.000 peak 7468 weight 0.10000E+01 volume -0.16770E+01 ppm1 5.643 ppm2 9.423 ASSI ( (( segid " " and resid 1600 and name HB2 )) )( (( segid " " and resid 1600 and name HB1 )) ) 5.000 5.000 0.000 peak 7535 weight 0.10000E+01 volume 0.12390E+01 ppm1 2.053 ppm2 2.372 ASSI ( (( segid " " and resid 1600 and name HB1 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) ) 5.000 5.000 0.000 peak 7540 weight 0.10000E+01 volume 0.57700E+00 ppm1 2.366 ppm2 0.730 ASSI ( (( segid " " and resid 1600 and name HB2 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) ) 5.000 5.000 0.000 peak 7541 weight 0.10000E+01 volume 0.55700E+00 ppm1 2.056 ppm2 0.740 ASSI ( (( segid " " and resid 1600 and name HB1 )) )( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) ) 5.000 5.000 0.000 peak 7539 weight 0.10000E+01 volume 0.43500E+00 ppm1 2.365 ppm2 1.286 ASSI ( (( segid " " and resid 1600 and name HB2 )) )( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) ) 5.000 5.000 0.000 peak 7538 weight 0.10000E+01 volume 0.37000E+00 ppm1 2.054 ppm2 1.286 ASSI ( (( segid " " and resid 1600 and name HB1 )) )( (( segid " " and resid 1600 and name HN )) ) 5.000 5.000 0.000 peak 5351 weight 0.10000E+01 volume 0.39900E+00 ppm1 2.370 ppm2 9.894 ASSI ( (( segid " " and resid 1600 and name HB2 )) )( (( segid " " and resid 1600 and name HN )) ) 5.000 5.000 0.000 peak 5350 weight 0.10000E+01 volume 0.31700E+00 ppm1 2.057 ppm2 9.897 ASSI ( (( segid " " and resid 1600 and name HB1 )) )( (( segid " " and resid 1630 and name HE3 )) ) 5.000 5.000 0.000 peak 7533 weight 0.10000E+01 volume 0.40300E+00 ppm1 2.367 ppm2 7.501 ASSI ( (( segid " " and resid 1600 and name HB2 )) )( (( segid " " and resid 1630 and name HE3 )) ) 5.000 5.000 0.000 peak 5155 weight 0.10000E+01 volume 0.43800E+00 ppm1 2.054 ppm2 7.506 ASSI ( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) )( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) ) 3.300 3.300 0.000 peak 7551 weight 0.10000E+01 volume 0.21910E+01 ppm1 0.733 ppm2 1.284 ASSI ( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) )( (( segid " " and resid 1600 and name HG )) ) 3.300 3.300 0.000 peak 7550 weight 0.10000E+01 volume 0.15130E+01 ppm1 0.729 ppm2 1.630 ASSI ( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) )( (( segid " " and resid 1626 and name HE1 )) ) 5.000 5.000 0.000 peak 5278 weight 0.10000E+01 volume 0.80300E+00 ppm1 0.727 ppm2 10.838 ASSI ( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) )( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) ) 5.000 5.000 0.000 peak 6253 weight 0.10000E+01 volume 0.85700E+00 ppm1 0.733 ppm2 -0.204 ASSI ( (( segid " " and resid 1601 and name HA )) )( (( segid " " and resid 1601 and name HB )) ) 5.000 5.000 0.000 peak 7475 weight 0.10000E+01 volume -0.47000E+00 ppm1 5.729 ppm2 1.634 ASSI ( (( segid " " and resid 1601 and name HA )) )( (( segid " " and resid 1601 and name HG11)) ) 5.000 5.000 0.000 peak 7476 weight 0.10000E+01 volume -0.48000E+00 ppm1 5.739 ppm2 1.487 ASSI ( (( segid " " and resid 1601 and name HA )) )( (( segid " " and resid 1601 and name HG12)) ) 5.000 5.000 0.000 peak 7477 weight 0.10000E+01 volume -0.80600E+00 ppm1 5.732 ppm2 1.014 ASSI ( (( segid " " and resid 1601 and name HA )) )( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) ) 5.000 5.000 0.000 peak 7478 weight 0.10000E+01 volume -0.11570E+01 ppm1 5.737 ppm2 0.861 ASSI ( (( segid " " and resid 1601 and name HA )) )( (( segid " " and resid 1627 and name HA )) ) 5.000 5.000 0.000 peak 6905 weight 0.10000E+01 volume -0.36100E+00 ppm1 5.740 ppm2 4.899 ASSI ( (( segid " " and resid 1601 and name HB )) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 5.000 5.000 0.000 peak 7483 weight 0.10000E+01 volume 0.68300E+00 ppm1 1.645 ppm2 -0.050 ASSI ( (( segid " " and resid 1601 and name HB )) )( (( segid " " and resid 1601 and name HN )) ) 5.000 5.000 0.000 peak 5333 weight 0.10000E+01 volume 0.52500E+00 ppm1 1.648 ppm2 9.405 ASSI ( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) )( (( segid " " and resid 1582 and name HZ )) ) 5.000 5.000 0.000 peak 7500 weight 0.10000E+01 volume 0.43900E+00 ppm1 -0.046 ppm2 6.852 ASSI ( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 5.000 5.000 0.000 peak 7512 weight 0.10000E+01 volume 0.70000E+00 ppm1 -0.042 ppm2 -0.446 ASSI ( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) )( (( segid " " and resid 1601 and name HA )) ) 5.000 5.000 0.000 peak 7505 weight 0.10000E+01 volume 0.36900E+00 ppm1 -0.040 ppm2 5.738 ASSI ( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) )( (( segid " " and resid 1601 and name HG11)) ) 5.000 5.000 0.000 peak 7510 weight 0.10000E+01 volume 0.13640E+01 ppm1 -0.041 ppm2 1.507 ASSI ( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) ) 5.000 5.000 0.000 peak 7511 weight 0.10000E+01 volume 0.46600E+00 ppm1 -0.045 ppm2 1.335 ASSI ( (( segid " " and resid 1601 and name HG12)) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 5.000 5.000 0.000 peak 7490 weight 0.10000E+01 volume 0.84100E+00 ppm1 1.008 ppm2 -0.050 ASSI ( (( segid " " and resid 1601 and name HG11)) )( (( segid " " and resid 1601 and name HN )) ) 5.000 5.000 0.000 peak 5335 weight 0.10000E+01 volume 0.32000E+00 ppm1 1.511 ppm2 9.404 ASSI ( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 3.300 3.300 0.000 peak 7504 weight 0.10000E+01 volume 0.17940E+01 ppm1 0.855 ppm2 -0.050 ASSI ( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) )( (( segid " " and resid 1601 and name HG11)) ) 5.000 5.000 0.000 peak 7502 weight 0.10000E+01 volume 0.12360E+01 ppm1 0.856 ppm2 1.514 ASSI ( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) )( (( segid " " and resid 1602 and name HN )) ) 5.000 5.000 0.000 peak 5321 weight 0.10000E+01 volume 0.79100E+00 ppm1 0.862 ppm2 9.000 ASSI ( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) ) 3.300 3.300 0.000 peak 7503 weight 0.10000E+01 volume 0.16240E+01 ppm1 0.855 ppm2 1.335 ASSI ( (( segid " " and resid 1602 and name HA )) )( (( segid " " and resid 1603 and name HN )) ) 5.000 5.000 0.000 peak 7002 weight 0.10000E+01 volume -0.12680E+01 ppm1 4.995 ppm2 5.592 ASSI ( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) )( (( segid " " and resid 1602 and name HA )) ) 5.000 5.000 0.000 peak 6898 weight 0.10000E+01 volume 0.68900E+00 ppm1 2.103 ppm2 4.997 ASSI ( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) )( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) ) 5.000 5.000 0.000 peak 7457 weight 0.10000E+01 volume 0.76100E+00 ppm1 2.124 ppm2 3.216 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1530 and name HA )) ) 5.000 5.000 0.000 peak 7404 weight 0.10000E+01 volume 0.44000E+00 ppm1 0.959 ppm2 2.722 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1533 and name HB )) ) 5.000 5.000 0.000 peak 7402 weight 0.10000E+01 volume 0.58900E+00 ppm1 0.961 ppm2 3.546 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1534 and name HA )) ) 5.000 5.000 0.000 peak 7400 weight 0.10000E+01 volume 0.67700E+00 ppm1 0.965 ppm2 3.860 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1534 and name HN )) ) 5.000 5.000 0.000 peak 5232 weight 0.10000E+01 volume 0.43400E+00 ppm1 0.962 ppm2 7.869 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1602 and name HG1 )) ) 5.000 5.000 0.000 peak 5182 weight 0.10000E+01 volume 0.86100E+00 ppm1 0.962 ppm2 2.426 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1602 and name HG2 )) ) 5.000 5.000 0.000 peak 5181 weight 0.10000E+01 volume 0.14770E+01 ppm1 0.962 ppm2 2.325 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) ) 5.000 5.000 0.000 peak 6954 weight 0.10000E+01 volume 0.10930E+01 ppm1 0.960 ppm2 3.216 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1626 and name HD1 )) ) 5.000 5.000 0.000 peak 7399 weight 0.10000E+01 volume 0.85400E+00 ppm1 0.960 ppm2 6.787 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1626 and name HE1 )) ) 5.000 5.000 0.000 peak 7398 weight 0.10000E+01 volume 0.46300E+00 ppm1 0.954 ppm2 10.838 ASSI ( (( segid " " and resid 1602 and name HG2 )) )( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) ) 5.000 5.000 0.000 peak 5183 weight 0.10000E+01 volume 0.51600E+00 ppm1 2.322 ppm2 1.387 ASSI ( (( segid " " and resid 1602 and name HG1 )) )( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) ) 5.000 5.000 0.000 peak 7461 weight 0.10000E+01 volume 0.11370E+01 ppm1 2.429 ppm2 2.127 ASSI ( (( segid " " and resid 1603 and name HA2 )) )( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) ) 5.000 5.000 0.000 peak 7370 weight 0.10000E+01 volume 0.42300E+00 ppm1 3.920 ppm2 0.493 ASSI ( (( segid " " and resid 1603 and name HA2 )) )( (( segid " " and resid 1604 and name HN )) ) 5.000 5.000 0.000 peak 7359 weight 0.10000E+01 volume 0.79900E+00 ppm1 3.925 ppm2 8.613 ASSI ( (( segid " " and resid 1604 and name HB2 )) OR (( segid " " and resid 1604 and name HB1 )) )( (( segid " " and resid 1604 and name HA )) ) 3.300 3.300 0.000 peak 7348 weight 0.10000E+01 volume 0.18100E+01 ppm1 1.961 ppm2 4.651 ASSI ( (( segid " " and resid 1604 and name HB2 )) OR (( segid " " and resid 1604 and name HB1 )) )( (( segid " " and resid 1604 and name HE2 )) OR (( segid " " and resid 1604 and name HE1 )) ) 5.000 5.000 0.000 peak 7346 weight 0.10000E+01 volume 0.55000E+00 ppm1 1.963 ppm2 3.061 ASSI ( (( segid " " and resid 1604 and name HB2 )) OR (( segid " " and resid 1604 and name HB1 )) )( (( segid " " and resid 1605 and name HN )) ) 5.000 5.000 0.000 peak 7349 weight 0.10000E+01 volume 0.85500E+00 ppm1 1.959 ppm2 8.267 ASSI ( (( segid " " and resid 1605 and name HA )) )( (( segid " " and resid 1605 and name HG1 )) ) 5.000 5.000 0.000 peak 9615 weight 0.10000E+01 volume -0.42000E+00 ppm1 3.990 ppm2 2.573 ASSI ( (( segid " " and resid 1605 and name HB1 )) )( (( segid " " and resid 1605 and name HA )) ) 5.000 5.000 0.000 peak 7319 weight 0.10000E+01 volume 0.87000E+00 ppm1 2.044 ppm2 3.985 ASSI ( (( segid " " and resid 1605 and name HB2 )) )( (( segid " " and resid 1605 and name HA )) ) 5.000 5.000 0.000 peak 7320 weight 0.10000E+01 volume 0.77100E+00 ppm1 1.936 ppm2 3.987 ASSI ( (( segid " " and resid 1605 and name HB2 )) )( (( segid " " and resid 1605 and name HG1 )) ) 5.000 5.000 0.000 peak 7323 weight 0.10000E+01 volume 0.10320E+01 ppm1 1.943 ppm2 2.572 ASSI ( (( segid " " and resid 1605 and name HB1 )) )( (( segid " " and resid 1605 and name HG2 )) ) 5.000 5.000 0.000 peak 7322 weight 0.10000E+01 volume 0.10560E+01 ppm1 2.048 ppm2 2.364 ASSI ( (( segid " " and resid 1605 and name HB1 )) )( (( segid " " and resid 1605 and name HN )) ) 5.000 5.000 0.000 peak 5572 weight 0.10000E+01 volume 0.91800E+00 ppm1 2.046 ppm2 8.280 ASSI ( (( segid " " and resid 1605 and name HB2 )) )( (( segid " " and resid 1605 and name HN )) ) 5.000 5.000 0.000 peak 5571 weight 0.10000E+01 volume 0.10070E+01 ppm1 1.935 ppm2 8.289 ASSI ( (( segid " " and resid 1605 and name HG1 )) )( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 5.000 5.000 0.000 peak 7334 weight 0.10000E+01 volume 0.42100E+00 ppm1 2.589 ppm2 1.635 ASSI ( (( segid " " and resid 1605 and name HG1 )) )( (( segid " " and resid 1605 and name HB1 )) ) 2.700 2.700 0.000 peak 7337 weight 0.10000E+01 volume 0.30010E+01 ppm1 2.585 ppm2 2.029 ASSI ( (( segid " " and resid 1606 and name HA )) )( (( segid " " and resid 1619 and name HA )) ) 5.000 5.000 0.000 peak 7299 weight 0.10000E+01 volume -0.83000E+00 ppm1 4.028 ppm2 4.750 ASSI ( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) )( (( segid " " and resid 1606 and name HA )) ) 3.300 3.300 0.000 peak 7310 weight 0.10000E+01 volume 0.18550E+01 ppm1 0.467 ppm2 4.015 ASSI ( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) )( (( segid " " and resid 1617 and name HB1 )) ) 5.000 5.000 0.000 peak 7307 weight 0.10000E+01 volume 0.52300E+00 ppm1 0.470 ppm2 2.694 ASSI ( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) )( (( segid " " and resid 1617 and name HB2 )) ) 5.000 5.000 0.000 peak 5180 weight 0.10000E+01 volume 0.92200E+00 ppm1 0.470 ppm2 2.376 ASSI ( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) )( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) ) 5.000 5.000 0.000 peak 7314 weight 0.10000E+01 volume 0.70100E+00 ppm1 0.469 ppm2 6.979 ASSI ( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) )( (( segid " " and resid 1619 and name HA )) ) 5.000 5.000 0.000 peak 7312 weight 0.10000E+01 volume 0.77800E+00 ppm1 0.465 ppm2 4.730 ASSI ( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) )( (( segid " " and resid 1619 and name HE2 )) OR (( segid " " and resid 1619 and name HE1 )) ) 5.000 5.000 0.000 peak 5042 weight 0.10000E+01 volume 0.62600E+00 ppm1 0.468 ppm2 6.185 ASSI ( (( segid " " and resid 1607 and name HA )) )( (( segid " " and resid 1607 and name HB2 )) ) 5.000 5.000 0.000 peak 7265 weight 0.10000E+01 volume -0.12460E+01 ppm1 4.422 ppm2 1.457 ASSI ( (( segid " " and resid 1607 and name HB1 )) )( (( segid " " and resid 1607 and name HB2 )) ) 2.700 2.700 0.000 peak 7274 weight 0.10000E+01 volume 0.30190E+01 ppm1 1.655 ppm2 1.452 ASSI ( (( segid " " and resid 1607 and name HB1 )) )( (( segid " " and resid 1607 and name HN )) ) 5.000 5.000 0.000 peak 5907 weight 0.10000E+01 volume 0.60800E+00 ppm1 1.651 ppm2 8.761 ASSI ( (( segid " " and resid 1607 and name HB2 )) )( (( segid " " and resid 1607 and name HN )) ) 5.000 5.000 0.000 peak 5265 weight 0.10000E+01 volume 0.53200E+00 ppm1 1.451 ppm2 8.759 ASSI ( (( segid " " and resid 1607 and name HB1 )) )( (( segid " " and resid 1609 and name HD13)) OR (( segid " " and resid 1609 and name HD12)) OR (( segid " " and resid 1609 and name HD11)) ) 5.000 5.000 0.000 peak 7275 weight 0.10000E+01 volume 0.47400E+00 ppm1 1.652 ppm2 0.693 ASSI ( (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1607 and name HB2 )) ) 5.000 5.000 0.000 peak 7287 weight 0.10000E+01 volume 0.12980E+01 ppm1 0.855 ppm2 1.439 ASSI ( (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1607 and name HN )) ) 5.000 5.000 0.000 peak 5315 weight 0.10000E+01 volume 0.44000E+00 ppm1 0.853 ppm2 8.765 ASSI ( (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) )( (( segid " " and resid 1607 and name HA )) ) 5.000 5.000 0.000 peak 6137 weight 0.10000E+01 volume 0.10460E+01 ppm1 0.880 ppm2 4.424 ASSI ( (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) )( (( segid " " and resid 1608 and name HN )) ) 5.000 5.000 0.000 peak 7295 weight 0.10000E+01 volume 0.60300E+00 ppm1 0.881 ppm2 8.462 ASSI ( (( segid " " and resid 1607 and name HG )) )( (( segid " " and resid 1607 and name HB2 )) ) 3.300 3.300 0.000 peak 7276 weight 0.10000E+01 volume 0.19790E+01 ppm1 1.635 ppm2 1.459 ASSI ( (( segid " " and resid 1607 and name HG )) )( (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) ) 3.300 3.300 0.000 peak 7278 weight 0.10000E+01 volume 0.19640E+01 ppm1 1.632 ppm2 0.859 ASSI ( (( segid " " and resid 1607 and name HG )) )( (( segid " " and resid 1607 and name HN )) ) 5.000 5.000 0.000 peak 5314 weight 0.10000E+01 volume 0.51300E+00 ppm1 1.634 ppm2 8.762 ASSI ( (( segid " " and resid 1608 and name HB2 )) OR (( segid " " and resid 1608 and name HB1 )) )( (( segid " " and resid 1608 and name HA )) ) 5.000 5.000 0.000 peak 7249 weight 0.10000E+01 volume 0.10670E+01 ppm1 1.698 ppm2 4.602 ASSI ( (( segid " " and resid 1608 and name HG1 )) )( (( segid " " and resid 1608 and name HA )) ) 5.000 5.000 0.000 peak 7258 weight 0.10000E+01 volume 0.59000E+00 ppm1 1.851 ppm2 4.600 ASSI ( (( segid " " and resid 1608 and name HG2 )) )( (( segid " " and resid 1608 and name HA )) ) 5.000 5.000 0.000 peak 7257 weight 0.10000E+01 volume 0.56800E+00 ppm1 1.698 ppm2 4.603 ASSI ( (( segid " " and resid 1608 and name HG1 )) )( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) ) 6.000 6.000 0.000 peak 7261 weight 0.10000E+01 volume 0.27500E+00 ppm1 1.850 ppm2 6.981 ASSI ( (( segid " " and resid 1608 and name HG2 )) )( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) ) 6.000 6.000 0.000 peak 7260 weight 0.10000E+01 volume 0.23000E+00 ppm1 1.699 ppm2 6.978 ASSI ( (( segid " " and resid 1608 and name HG2 )) )( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) ) 5.000 5.000 0.000 peak 7259 weight 0.10000E+01 volume 0.60100E+00 ppm1 1.699 ppm2 6.810 ASSI ( (( segid " " and resid 1609 and name HA )) )( (( segid " " and resid 1609 and name HB )) ) 5.000 5.000 0.000 peak 7218 weight 0.10000E+01 volume -0.80400E+00 ppm1 4.380 ppm2 1.732 ASSI ( (( segid " " and resid 1609 and name HA )) )( (( segid " " and resid 1610 and name HN )) ) 3.300 3.300 0.000 peak 7222 weight 0.10000E+01 volume -0.24330E+01 ppm1 4.380 ppm2 8.501 ASSI ( (( segid " " and resid 1609 and name HB )) )( (( segid " " and resid 1609 and name HG12)) ) 5.000 5.000 0.000 peak 7229 weight 0.10000E+01 volume 0.33600E+00 ppm1 1.731 ppm2 1.039 ASSI ( (( segid " " and resid 1609 and name HB )) )( (( segid " " and resid 1616 and name HN )) ) 5.000 5.000 0.000 peak 5295 weight 0.10000E+01 volume 0.71900E+00 ppm1 1.728 ppm2 8.949 ASSI ( (( segid " " and resid 1609 and name HD13)) OR (( segid " " and resid 1609 and name HD12)) OR (( segid " " and resid 1609 and name HD11)) )( (( segid " " and resid 1609 and name HA )) ) 5.000 5.000 0.000 peak 7151 weight 0.10000E+01 volume 0.38800E+00 ppm1 0.684 ppm2 4.403 ASSI ( (( segid " " and resid 1609 and name HG11)) )( (( segid " " and resid 1609 and name HA )) ) 5.000 5.000 0.000 peak 7233 weight 0.10000E+01 volume 0.36000E+00 ppm1 1.262 ppm2 4.401 ASSI ( (( segid " " and resid 1609 and name HG12)) )( (( segid " " and resid 1609 and name HG11)) ) 2.700 2.700 0.000 peak 7236 weight 0.10000E+01 volume 0.37670E+01 ppm1 1.050 ppm2 1.250 ASSI ( (( segid " " and resid 1609 and name HG23)) OR (( segid " " and resid 1609 and name HG22)) OR (( segid " " and resid 1609 and name HG21)) )( (( segid " " and resid 1609 and name HA )) ) 5.000 5.000 0.000 peak 7238 weight 0.10000E+01 volume 0.12180E+01 ppm1 0.729 ppm2 4.393 ASSI ( (( segid " " and resid 1609 and name HG23)) OR (( segid " " and resid 1609 and name HG22)) OR (( segid " " and resid 1609 and name HG21)) )( (( segid " " and resid 1609 and name HB )) ) 3.300 3.300 0.000 peak 7239 weight 0.10000E+01 volume 0.22370E+01 ppm1 0.730 ppm2 1.717 ASSI ( (( segid " " and resid 1610 and name HB2 )) )( (( segid " " and resid 1610 and name HG2 )) OR (( segid " " and resid 1610 and name HG1 )) ) 5.000 5.000 0.000 peak 7209 weight 0.10000E+01 volume 0.49200E+00 ppm1 1.561 ppm2 1.140 ASSI ( (( segid " " and resid 1611 and name HE2 )) OR (( segid " " and resid 1611 and name HE1 )) )( (( segid " " and resid 1611 and name HD2 )) OR (( segid " " and resid 1611 and name HD1 )) ) 3.300 3.300 0.000 peak 5013 weight 0.10000E+01 volume 0.21200E+01 ppm1 6.720 ppm2 6.979 ASSI ( (( segid " " and resid 1612 and name HB2 )) )( (( segid " " and resid 1612 and name HB1 )) ) 3.300 3.300 0.000 peak 7208 weight 0.10000E+01 volume 0.15090E+01 ppm1 2.583 ppm2 2.770 ASSI ( (( segid " " and resid 1613 and name HB3 )) OR (( segid " " and resid 1613 and name HB2 )) OR (( segid " " and resid 1613 and name HB1 )) )( (( segid " " and resid 1613 and name HA )) ) 5.000 5.000 0.000 peak 7200 weight 0.10000E+01 volume 0.72500E+00 ppm1 1.375 ppm2 4.256 ASSI ( (( segid " " and resid 1615 and name HB2 )) OR (( segid " " and resid 1615 and name HB1 )) )( (( segid " " and resid 1611 and name HN )) ) 5.000 5.000 0.000 peak 2354 weight 0.10000E+01 volume 0.46500E+00 ppm1 2.683 ppm2 8.267 ASSI ( (( segid " " and resid 1615 and name HB2 )) OR (( segid " " and resid 1615 and name HB1 )) )( (( segid " " and resid 1615 and name HD2 )) OR (( segid " " and resid 1615 and name HD1 )) ) 5.000 5.000 0.000 peak 5266 weight 0.10000E+01 volume 0.80100E+00 ppm1 2.661 ppm2 6.857 ASSI ( (( segid " " and resid 1615 and name HB2 )) OR (( segid " " and resid 1615 and name HB1 )) )( (( segid " " and resid 1616 and name HN )) ) 5.000 5.000 0.000 peak 7810 weight 0.10000E+01 volume 0.85000E+00 ppm1 2.660 ppm2 8.954 ASSI ( (( segid " " and resid 1615 and name HD2 )) OR (( segid " " and resid 1615 and name HD1 )) )( (( segid " " and resid 1615 and name HE2 )) OR (( segid " " and resid 1615 and name HE1 )) ) 5.000 5.000 0.000 peak 9702 weight 0.10000E+01 volume -0.10660E+01 ppm1 6.847 ppm2 7.129 ASSI ( (( segid " " and resid 1617 and name HA )) )( (( segid " " and resid 1617 and name HB2 )) ) 5.000 5.000 0.000 peak 5046 weight 0.10000E+01 volume -0.10110E+01 ppm1 5.470 ppm2 2.374 ASSI ( (( segid " " and resid 1617 and name HA )) )( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) ) 5.000 5.000 0.000 peak 7414 weight 0.10000E+01 volume -0.53600E+00 ppm1 5.462 ppm2 6.998 ASSI ( (( segid " " and resid 1617 and name HB1 )) )( (( segid " " and resid 1617 and name HA )) ) 5.000 5.000 0.000 peak 4613 weight 0.10000E+01 volume 0.55500E+00 ppm1 2.695 ppm2 5.445 ASSI ( (( segid " " and resid 1617 and name HB1 )) )( (( segid " " and resid 1617 and name HB2 )) ) 2.700 2.700 0.000 peak 4610 weight 0.10000E+01 volume 0.33180E+01 ppm1 2.695 ppm2 2.375 ASSI ( (( segid " " and resid 1617 and name HB1 )) )( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) ) 3.300 3.300 0.000 peak 4616 weight 0.10000E+01 volume 0.18670E+01 ppm1 2.695 ppm2 6.978 ASSI ( (( segid " " and resid 1617 and name HB2 )) )( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) ) 5.000 5.000 0.000 peak 4615 weight 0.10000E+01 volume 0.61900E+00 ppm1 2.372 ppm2 6.978 ASSI ( (( segid " " and resid 1617 and name HB2 )) )( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) ) 5.000 5.000 0.000 peak 9698 weight 0.10000E+01 volume 0.36700E+00 ppm1 2.378 ppm2 6.829 ASSI ( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) )( (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB2 )) OR (( segid " " and resid 1572 and name HB1 )) ) 5.000 5.000 0.000 peak 4623 weight 0.10000E+01 volume -0.65900E+00 ppm1 6.986 ppm2 0.641 ASSI ( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) )( (( segid " " and resid 1608 and name HA )) ) 5.000 5.000 0.000 peak 4625 weight 0.10000E+01 volume -0.73700E+00 ppm1 6.990 ppm2 4.568 ASSI ( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) )( (( segid " " and resid 1618 and name HN )) ) 5.000 5.000 0.000 peak 4628 weight 0.10000E+01 volume -0.56500E+00 ppm1 6.991 ppm2 8.809 ASSI ( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) )( (( segid " " and resid 1617 and name HB1 )) ) 5.000 5.000 0.000 peak 4739 weight 0.10000E+01 volume 0.48000E+00 ppm1 6.796 ppm2 2.672 ASSI ( (( segid " " and resid 1618 and name HB )) )( (( segid " " and resid 1618 and name HA )) ) 5.000 5.000 0.000 peak 7139 weight 0.10000E+01 volume 0.85700E+00 ppm1 1.542 ppm2 4.600 ASSI ( (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) )( (( segid " " and resid 1581 and name HB )) ) 5.000 5.000 0.000 peak 7150 weight 0.10000E+01 volume 0.53500E+00 ppm1 0.689 ppm2 3.991 ASSI ( (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) )( (( segid " " and resid 1616 and name HD1 )) ) 5.000 5.000 0.000 peak 9190 weight 0.10000E+01 volume 0.33100E+00 ppm1 0.704 ppm2 2.970 ASSI ( (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) )( (( segid " " and resid 1616 and name HD2 )) ) 5.000 5.000 0.000 peak 9189 weight 0.10000E+01 volume 0.30700E+00 ppm1 0.711 ppm2 2.869 ASSI ( (( segid " " and resid 1619 and name HB1 )) )( (( segid " " and resid 1582 and name HA )) ) 5.000 5.000 0.000 peak 4632 weight 0.10000E+01 volume 0.31100E+00 ppm1 2.969 ppm2 5.986 ASSI ( (( segid " " and resid 1619 and name HB1 )) )( (( segid " " and resid 1619 and name HA )) ) 5.000 5.000 0.000 peak 4635 weight 0.10000E+01 volume 0.54200E+00 ppm1 2.975 ppm2 4.738 ASSI ( (( segid " " and resid 1619 and name HB2 )) )( (( segid " " and resid 1619 and name HB1 )) ) 3.300 3.300 0.000 peak 4633 weight 0.10000E+01 volume 0.27850E+01 ppm1 2.633 ppm2 2.968 ASSI ( (( segid " " and resid 1619 and name HB2 )) )( (( segid " " and resid 1619 and name HN )) ) 5.000 5.000 0.000 peak 4638 weight 0.10000E+01 volume 0.46900E+00 ppm1 2.632 ppm2 8.908 ASSI ( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) )( (( segid " " and resid 1582 and name HA )) ) 6.000 6.000 0.000 peak 4608 weight 0.10000E+01 volume -0.22700E+00 ppm1 6.853 ppm2 5.988 ASSI ( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) )( (( segid " " and resid 1618 and name HA )) ) 5.000 5.000 0.000 peak 4643 weight 0.10000E+01 volume -0.74400E+00 ppm1 6.853 ppm2 4.586 ASSI ( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) )( (( segid " " and resid 1619 and name HB2 )) ) 5.000 5.000 0.000 peak 4645 weight 0.10000E+01 volume -0.96700E+00 ppm1 6.854 ppm2 2.622 ASSI ( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) )( (( segid " " and resid 1619 and name HE2 )) OR (( segid " " and resid 1619 and name HE1 )) ) 3.300 3.300 0.000 peak 4639 weight 0.10000E+01 volume -0.17210E+01 ppm1 6.850 ppm2 6.185 ASSI ( (( segid " " and resid 1619 and name HE2 )) OR (( segid " " and resid 1619 and name HE1 )) )( (( segid " " and resid 1617 and name HB1 )) ) 5.000 5.000 0.000 peak 5036 weight 0.10000E+01 volume 0.41600E+00 ppm1 6.185 ppm2 2.680 ASSI ( (( segid " " and resid 1620 and name HA )) )( (( segid " " and resid 1621 and name HN )) ) 3.300 3.300 0.000 peak 7073 weight 0.10000E+01 volume -0.16940E+01 ppm1 4.965 ppm2 8.977 ASSI ( (( segid " " and resid 1620 and name HB2 )) )( (( segid " " and resid 1620 and name HA )) ) 5.000 5.000 0.000 peak 7065 weight 0.10000E+01 volume 0.80100E+00 ppm1 2.062 ppm2 4.976 ASSI ( (( segid " " and resid 1620 and name HD1 )) )( (( segid " " and resid 1620 and name HG1 )) ) 5.000 5.000 0.000 peak 7093 weight 0.10000E+01 volume -0.47900E+00 ppm1 4.133 ppm2 2.225 ASSI ( (( segid " " and resid 1620 and name HD2 )) )( (( segid " " and resid 1620 and name HG1 )) ) 5.000 5.000 0.000 peak 7097 weight 0.10000E+01 volume -0.67000E+00 ppm1 4.017 ppm2 2.229 ASSI ( (( segid " " and resid 1620 and name HD2 )) )( (( segid " " and resid 1620 and name HG2 )) ) 5.000 5.000 0.000 peak 7099 weight 0.10000E+01 volume -0.84400E+00 ppm1 4.016 ppm2 2.003 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1582 and name HB2 )) ) 5.000 5.000 0.000 peak 7051 weight 0.10000E+01 volume 0.30900E+00 ppm1 0.791 ppm2 3.017 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 6.000 6.000 0.000 peak 7056 weight 0.10000E+01 volume 0.12900E+00 ppm1 0.787 ppm2 -0.446 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 5.000 5.000 0.000 peak 7055 weight 0.10000E+01 volume 0.52400E+00 ppm1 0.790 ppm2 -0.050 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1621 and name HA )) ) 5.000 5.000 0.000 peak 7049 weight 0.10000E+01 volume 0.12710E+01 ppm1 0.792 ppm2 4.998 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1621 and name HG )) ) 3.300 3.300 0.000 peak 7054 weight 0.10000E+01 volume 0.15990E+01 ppm1 0.791 ppm2 1.978 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1621 and name HN )) ) 5.000 5.000 0.000 peak 5283 weight 0.10000E+01 volume 0.34000E+00 ppm1 0.794 ppm2 8.998 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) ) 3.300 3.300 0.000 peak 7052 weight 0.10000E+01 volume 0.18670E+01 ppm1 0.792 ppm2 1.337 ASSI ( (( segid " " and resid 1621 and name HG )) )( (( segid " " and resid 1621 and name HB2 )) ) 5.000 5.000 0.000 peak 7033 weight 0.10000E+01 volume 0.42200E+00 ppm1 1.985 ppm2 1.463 ASSI ( (( segid " " and resid 1621 and name HG )) )( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) ) 5.000 5.000 0.000 peak 7034 weight 0.10000E+01 volume 0.14390E+01 ppm1 1.978 ppm2 0.696 ASSI ( (( segid " " and resid 1622 and name HA )) )( (( segid " " and resid 1622 and name HB2 )) ) 3.300 3.300 0.000 peak 7014 weight 0.10000E+01 volume -0.17070E+01 ppm1 4.928 ppm2 2.723 ASSI ( (( segid " " and resid 1622 and name HB1 )) )( (( segid " " and resid 1622 and name HA )) ) 5.000 5.000 0.000 peak 7017 weight 0.10000E+01 volume 0.87800E+00 ppm1 3.281 ppm2 4.916 ASSI ( (( segid " " and resid 1623 and name HA )) )( (( segid " " and resid 1623 and name HB2 )) ) 3.300 3.300 0.000 peak 5153 weight 0.10000E+01 volume -0.15980E+01 ppm1 3.990 ppm2 3.811 ASSI ( (( segid " " and resid 1624 and name HB2 )) OR (( segid " " and resid 1624 and name HB1 )) )( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) ) 5.000 5.000 0.000 peak 9209 weight 0.10000E+01 volume 0.31000E+00 ppm1 1.730 ppm2 0.516 ASSI ( (( segid " " and resid 1624 and name HB2 )) OR (( segid " " and resid 1624 and name HB1 )) )( (( segid " " and resid 1624 and name HA )) ) 3.300 3.300 0.000 peak 7003 weight 0.10000E+01 volume 0.15600E+01 ppm1 1.713 ppm2 4.405 ASSI ( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) )( (( segid " " and resid 1624 and name HA )) ) 5.000 5.000 0.000 peak 6134 weight 0.10000E+01 volume 0.61700E+00 ppm1 0.931 ppm2 4.404 ASSI ( (( segid " " and resid 1624 and name HG )) )( (( segid " " and resid 1624 and name HA )) ) 5.000 5.000 0.000 peak 7006 weight 0.10000E+01 volume 0.46900E+00 ppm1 1.773 ppm2 4.405 ASSI ( (( segid " " and resid 1625 and name HB )) )( (( segid " " and resid 1625 and name HA )) ) 5.000 5.000 0.000 peak 6987 weight 0.10000E+01 volume -0.56500E+00 ppm1 3.985 ppm2 4.553 ASSI ( (( segid " " and resid 1625 and name HB )) )( (( segid " " and resid 1625 and name HG1 )) ) 5.000 5.000 0.000 peak 6988 weight 0.10000E+01 volume -0.61000E+00 ppm1 3.992 ppm2 5.096 ASSI ( (( segid " " and resid 1625 and name HB )) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) ) 3.300 3.300 0.000 peak 6985 weight 0.10000E+01 volume -0.19980E+01 ppm1 3.985 ppm2 1.335 ASSI ( (( segid " " and resid 1625 and name HB )) )( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) ) 5.000 5.000 0.000 peak 6984 weight 0.10000E+01 volume -0.78000E+00 ppm1 3.984 ppm2 0.548 ASSI ( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) )( (( segid " " and resid 1602 and name HN )) ) 5.000 5.000 0.000 peak 5320 weight 0.10000E+01 volume 0.40600E+00 ppm1 1.346 ppm2 9.000 ASSI ( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) )( (( segid " " and resid 1625 and name HG1 )) ) 5.000 5.000 0.000 peak 6998 weight 0.10000E+01 volume 0.85600E+00 ppm1 1.345 ppm2 5.141 ASSI ( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) )( (( segid " " and resid 1625 and name HN )) ) 5.000 5.000 0.000 peak 6996 weight 0.10000E+01 volume 0.35400E+00 ppm1 1.343 ppm2 7.672 ASSI ( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) )( (( segid " " and resid 1626 and name HN )) ) 5.000 5.000 0.000 peak 6995 weight 0.10000E+01 volume 0.82000E+00 ppm1 1.345 ppm2 9.651 ASSI ( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) )( (( segid " " and resid 1602 and name HG2 )) ) 5.000 5.000 0.000 peak 4654 weight 0.10000E+01 volume 0.79100E+00 ppm1 3.217 ppm2 2.332 ASSI ( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) )( (( segid " " and resid 1602 and name HN )) ) 5.000 5.000 0.000 peak 4649 weight 0.10000E+01 volume 0.62000E+00 ppm1 3.211 ppm2 8.992 ASSI ( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) )( (( segid " " and resid 1626 and name HA )) ) 5.000 5.000 0.000 peak 4646 weight 0.10000E+01 volume 0.10310E+01 ppm1 3.212 ppm2 4.609 ASSI ( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) )( (( segid " " and resid 1626 and name HD1 )) ) 5.000 5.000 0.000 peak 6953 weight 0.10000E+01 volume 0.50000E+00 ppm1 3.214 ppm2 6.780 ASSI ( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) )( (( segid " " and resid 1626 and name HE3 )) ) 5.000 5.000 0.000 peak 4648 weight 0.10000E+01 volume 0.67700E+00 ppm1 3.214 ppm2 7.651 ASSI ( (( segid " " and resid 1626 and name HD1 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) ) 5.000 5.000 0.000 peak 4996 weight 0.10000E+01 volume -0.49500E+00 ppm1 6.794 ppm2 0.720 ASSI ( (( segid " " and resid 1626 and name HD1 )) )( (( segid " " and resid 1626 and name HE1 )) ) 5.000 5.000 0.000 peak 4990 weight 0.10000E+01 volume -0.73400E+00 ppm1 6.791 ppm2 10.842 ASSI ( (( segid " " and resid 1626 and name HE3 )) )( (( segid " " and resid 1626 and name HZ3 )) ) 5.000 5.000 0.000 peak 4656 weight 0.10000E+01 volume 0.91700E+00 ppm1 7.646 ppm2 6.935 ASSI ( (( segid " " and resid 1626 and name HZ2 )) )( (( segid " " and resid 1530 and name HE )) ) 5.000 5.000 0.000 peak 5021 weight 0.10000E+01 volume 0.60100E+00 ppm1 7.202 ppm2 10.739 ASSI ( (( segid " " and resid 1626 and name HZ2 )) )( (( segid " " and resid 1626 and name HE1 )) ) 5.000 5.000 0.000 peak 5020 weight 0.10000E+01 volume 0.53200E+00 ppm1 7.201 ppm2 10.851 ASSI ( (( segid " " and resid 1626 and name HZ2 )) )( (( segid " " and resid 1626 and name HH2 )) ) 5.000 5.000 0.000 peak 4997 weight 0.10000E+01 volume 0.10180E+01 ppm1 7.203 ppm2 6.899 ASSI ( (( segid " " and resid 1627 and name HB )) )( (( segid " " and resid 1627 and name HA )) ) 6.000 6.000 0.000 peak 6908 weight 0.10000E+01 volume 0.23800E+00 ppm1 1.505 ppm2 4.897 ASSI ( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) )( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) ) 5.000 5.000 0.000 peak 6170 weight 0.10000E+01 volume 0.52700E+00 ppm1 0.569 ppm2 -0.274 ASSI ( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 5.000 5.000 0.000 peak 6169 weight 0.10000E+01 volume 0.86200E+00 ppm1 0.570 ppm2 -0.442 ASSI ( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) )( (( segid " " and resid 1627 and name HA )) ) 5.000 5.000 0.000 peak 6168 weight 0.10000E+01 volume 0.39700E+00 ppm1 0.574 ppm2 4.899 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1517 and name HA )) ) 5.000 5.000 0.000 peak 6937 weight 0.10000E+01 volume 0.83000E+00 ppm1 0.501 ppm2 4.454 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) ) 5.000 5.000 0.000 peak 6941 weight 0.10000E+01 volume 0.38500E+00 ppm1 0.500 ppm2 -0.274 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 5.000 5.000 0.000 peak 6942 weight 0.10000E+01 volume 0.14180E+01 ppm1 0.499 ppm2 -0.442 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1599 and name HB1 )) ) 5.000 5.000 0.000 peak 6938 weight 0.10000E+01 volume 0.36800E+00 ppm1 0.499 ppm2 2.870 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 5.000 5.000 0.000 peak 6940 weight 0.10000E+01 volume 0.50000E+00 ppm1 0.498 ppm2 -0.051 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1627 and name HA )) ) 5.000 5.000 0.000 peak 6924 weight 0.10000E+01 volume 0.74900E+00 ppm1 0.496 ppm2 4.874 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1628 and name HN )) ) 5.000 5.000 0.000 peak 2155 weight 0.10000E+01 volume 0.47800E+00 ppm1 0.499 ppm2 9.225 ASSI ( (( segid " " and resid 1628 and name HA )) )( (( segid " " and resid 1628 and name HN )) ) 5.000 5.000 0.000 peak 6885 weight 0.10000E+01 volume -0.53200E+00 ppm1 4.949 ppm2 9.216 ASSI ( (( segid " " and resid 1628 and name HB1 )) )( (( segid " " and resid 1626 and name HE1 )) ) 5.000 5.000 0.000 peak 5276 weight 0.10000E+01 volume 0.41000E+00 ppm1 2.462 ppm2 10.837 ASSI ( (( segid " " and resid 1628 and name HB2 )) )( (( segid " " and resid 1626 and name HE1 )) ) 5.000 5.000 0.000 peak 5277 weight 0.10000E+01 volume 0.61600E+00 ppm1 1.773 ppm2 10.837 ASSI ( (( segid " " and resid 1628 and name HB1 )) )( (( segid " " and resid 1628 and name HA )) ) 5.000 5.000 0.000 peak 6894 weight 0.10000E+01 volume 0.46100E+00 ppm1 2.447 ppm2 4.913 ASSI ( (( segid " " and resid 1628 and name HB2 )) )( (( segid " " and resid 1628 and name HA )) ) 5.000 5.000 0.000 peak 6893 weight 0.10000E+01 volume 0.39800E+00 ppm1 1.769 ppm2 4.928 ASSI ( (( segid " " and resid 1628 and name HB1 )) )( (( segid " " and resid 1628 and name HB2 )) ) 3.300 3.300 0.000 peak 6896 weight 0.10000E+01 volume 0.17290E+01 ppm1 2.448 ppm2 1.781 ASSI ( (( segid " " and resid 1629 and name HB2 )) )( (( segid " " and resid 1520 and name HG2 )) ) 5.000 5.000 0.000 peak 8806 weight 0.10000E+01 volume 0.65300E+00 ppm1 2.982 ppm2 2.178 ASSI ( (( segid " " and resid 1629 and name HB2 )) )( (( segid " " and resid 1629 and name HB1 )) ) 3.300 3.300 0.000 peak 5163 weight 0.10000E+01 volume 0.15180E+01 ppm1 2.955 ppm2 3.262 ASSI ( (( segid " " and resid 1629 and name HB1 )) )( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) ) 5.000 5.000 0.000 peak 5066 weight 0.10000E+01 volume 0.13510E+01 ppm1 3.254 ppm2 6.829 ASSI ( (( segid " " and resid 1629 and name HB2 )) )( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) ) 5.000 5.000 0.000 peak 5065 weight 0.10000E+01 volume 0.10280E+01 ppm1 2.955 ppm2 6.829 ASSI ( (( segid " " and resid 1629 and name HB1 )) )( (( segid " " and resid 1629 and name HN )) ) 5.000 5.000 0.000 peak 5161 weight 0.10000E+01 volume 0.46400E+00 ppm1 3.256 ppm2 9.037 ASSI ( (( segid " " and resid 1629 and name HB2 )) )( (( segid " " and resid 1629 and name HN )) ) 5.000 5.000 0.000 peak 5162 weight 0.10000E+01 volume 0.45200E+00 ppm1 2.965 ppm2 9.037 ASSI ( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) )( (( segid " " and resid 1520 and name HB2 )) OR (( segid " " and resid 1520 and name HB1 )) ) 5.000 5.000 0.000 peak 5060 weight 0.10000E+01 volume -0.89500E+00 ppm1 6.842 ppm2 1.880 ASSI ( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) )( (( segid " " and resid 1520 and name HG1 )) ) 5.000 5.000 0.000 peak 6864 weight 0.10000E+01 volume -0.42400E+00 ppm1 6.831 ppm2 2.425 ASSI ( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) )( (( segid " " and resid 1629 and name HA )) ) 5.000 5.000 0.000 peak 5056 weight 0.10000E+01 volume -0.11290E+01 ppm1 6.838 ppm2 4.526 ASSI ( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) )( (( segid " " and resid 1630 and name HN )) ) 5.000 5.000 0.000 peak 4538 weight 0.10000E+01 volume -0.92600E+00 ppm1 6.842 ppm2 8.431 ASSI ( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) )( (( segid " " and resid 1597 and name HD1 )) ) 5.000 5.000 0.000 peak 4745 weight 0.10000E+01 volume 0.63600E+00 ppm1 6.816 ppm2 2.870 ASSI ( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) )( (( segid " " and resid 1597 and name HD2 )) ) 5.000 5.000 0.000 peak 4746 weight 0.10000E+01 volume 0.40800E+00 ppm1 6.816 ppm2 2.526 ASSI ( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) )( (( segid " " and resid 1631 and name HA )) ) 5.000 5.000 0.000 peak 4744 weight 0.10000E+01 volume 0.60300E+00 ppm1 6.822 ppm2 4.013 ASSI ( (( segid " " and resid 1630 and name HB2 )) )( (( segid " " and resid 1598 and name HB1 )) ) 5.000 5.000 0.000 peak 4974 weight 0.10000E+01 volume 0.39700E+00 ppm1 2.751 ppm2 2.575 ASSI ( (( segid " " and resid 1630 and name HB1 )) )( (( segid " " and resid 1630 and name HA )) ) 5.000 5.000 0.000 peak 5157 weight 0.10000E+01 volume 0.38300E+00 ppm1 3.065 ppm2 4.802 ASSI ( (( segid " " and resid 1630 and name HB2 )) )( (( segid " " and resid 1630 and name HA )) ) 5.000 5.000 0.000 peak 4976 weight 0.10000E+01 volume 0.48100E+00 ppm1 2.759 ppm2 4.805 ASSI ( (( segid " " and resid 1630 and name HB2 )) )( (( segid " " and resid 1630 and name HB1 )) ) 3.300 3.300 0.000 peak 733 weight 0.10000E+01 volume 0.21830E+01 ppm1 2.760 ppm2 3.066 ASSI ( (( segid " " and resid 1630 and name HB1 )) )( (( segid " " and resid 1630 and name HE3 )) ) 5.000 5.000 0.000 peak 5158 weight 0.10000E+01 volume 0.35200E+00 ppm1 3.072 ppm2 7.475 ASSI ( (( segid " " and resid 1630 and name HB2 )) )( (( segid " " and resid 1630 and name HE3 )) ) 5.000 5.000 0.000 peak 4975 weight 0.10000E+01 volume 0.56000E+00 ppm1 2.759 ppm2 7.484 ASSI ( (( segid " " and resid 1630 and name HB1 )) )( (( segid " " and resid 1630 and name HN )) ) 5.000 5.000 0.000 peak 5160 weight 0.10000E+01 volume 0.31900E+00 ppm1 3.071 ppm2 8.414 ASSI ( (( segid " " and resid 1630 and name HB2 )) )( (( segid " " and resid 1630 and name HN )) ) 5.000 5.000 0.000 peak 5159 weight 0.10000E+01 volume 0.35900E+00 ppm1 2.759 ppm2 8.413 ASSI ( (( segid " " and resid 1630 and name HE3 )) )( (( segid " " and resid 1630 and name HZ3 )) ) 5.000 5.000 0.000 peak 4674 weight 0.10000E+01 volume 0.74000E+00 ppm1 7.495 ppm2 7.130 ASSI ( (( segid " " and resid 1630 and name HE3 )) )( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) ) 6.000 6.000 0.000 peak 9695 weight 0.10000E+01 volume 0.17600E+00 ppm1 7.492 ppm2 -0.596 ASSI ( (( segid " " and resid 1630 and name HH2 )) )( (( segid " " and resid 1630 and name HZ2 )) ) 3.300 3.300 0.000 peak 4983 weight 0.10000E+01 volume -0.16070E+01 ppm1 7.059 ppm2 7.473 ASSI ( (( segid " " and resid 1630 and name HH2 )) )( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) ) 5.000 5.000 0.000 peak 6199 weight 0.10000E+01 volume -0.98600E+00 ppm1 7.057 ppm2 1.188 ASSI ( (( segid " " and resid 1630 and name HZ3 )) )( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) ) 5.000 5.000 0.000 peak 5017 weight 0.10000E+01 volume 0.75000E+00 ppm1 7.142 ppm2 1.266 ASSI ( (( segid " " and resid 1631 and name HA )) )( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) ) 3.300 3.300 0.000 peak 6751 weight 0.10000E+01 volume -0.20220E+01 ppm1 4.019 ppm2 2.217 ASSI ( (( segid " " and resid 1631 and name HA )) )( (( segid " " and resid 1631 and name HG1 )) ) 5.000 5.000 0.000 peak 6752 weight 0.10000E+01 volume -0.76500E+00 ppm1 4.025 ppm2 2.027 ASSI ( (( segid " " and resid 1631 and name HA )) )( (( segid " " and resid 1631 and name HG2 )) ) 5.000 5.000 0.000 peak 6753 weight 0.10000E+01 volume -0.88600E+00 ppm1 4.023 ppm2 1.781 ASSI ( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) )( (( segid " " and resid 1633 and name HN )) ) 5.000 5.000 0.000 peak 5272 weight 0.10000E+01 volume 0.31400E+00 ppm1 2.201 ppm2 7.621 ASSI ( (( segid " " and resid 1631 and name HD1 )) )( (( segid " " and resid 1630 and name HA )) ) 5.000 5.000 0.000 peak 6807 weight 0.10000E+01 volume -0.11280E+01 ppm1 3.637 ppm2 4.825 ASSI ( (( segid " " and resid 1631 and name HD2 )) )( (( segid " " and resid 1630 and name HA )) ) 5.000 5.000 0.000 peak 6808 weight 0.10000E+01 volume -0.10150E+01 ppm1 3.060 ppm2 4.823 ASSI ( (( segid " " and resid 1631 and name HD2 )) )( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) ) 5.000 5.000 0.000 peak 6815 weight 0.10000E+01 volume -0.35300E+00 ppm1 3.053 ppm2 2.203 ASSI ( (( segid " " and resid 1631 and name HD2 )) )( (( segid " " and resid 1631 and name HD1 )) ) 3.300 3.300 0.000 peak 6809 weight 0.10000E+01 volume -0.19590E+01 ppm1 3.057 ppm2 3.639 ASSI ( (( segid " " and resid 1631 and name HD1 )) )( (( segid " " and resid 1631 and name HG1 )) ) 5.000 5.000 0.000 peak 6811 weight 0.10000E+01 volume -0.60700E+00 ppm1 3.640 ppm2 2.028 ASSI ( (( segid " " and resid 1631 and name HD2 )) )( (( segid " " and resid 1631 and name HG1 )) ) 5.000 5.000 0.000 peak 6814 weight 0.10000E+01 volume -0.47800E+00 ppm1 3.058 ppm2 2.028 ASSI ( (( segid " " and resid 1631 and name HD2 )) )( (( segid " " and resid 1631 and name HG2 )) ) 5.000 5.000 0.000 peak 6813 weight 0.10000E+01 volume -0.66400E+00 ppm1 3.060 ppm2 1.782 ASSI ( (( segid " " and resid 1631 and name HD1 )) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 5.000 5.000 0.000 peak 6806 weight 0.10000E+01 volume -0.33200E+00 ppm1 3.638 ppm2 6.628 ASSI ( (( segid " " and resid 1631 and name HD1 )) )( (( segid " " and resid 1642 and name HE2 )) OR (( segid " " and resid 1642 and name HE1 )) ) 5.000 5.000 0.000 peak 6804 weight 0.10000E+01 volume -0.77700E+00 ppm1 3.636 ppm2 7.309 ASSI ( (( segid " " and resid 1631 and name HD2 )) )( (( segid " " and resid 1642 and name HE2 )) OR (( segid " " and resid 1642 and name HE1 )) ) 5.000 5.000 0.000 peak 6805 weight 0.10000E+01 volume -0.45100E+00 ppm1 3.057 ppm2 7.320 ASSI ( (( segid " " and resid 1631 and name HD1 )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) ) 5.000 5.000 0.000 peak 6291 weight 0.10000E+01 volume -0.74900E+00 ppm1 3.639 ppm2 0.989 ASSI ( (( segid " " and resid 1631 and name HD2 )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) ) 5.000 5.000 0.000 peak 6292 weight 0.10000E+01 volume -0.47700E+00 ppm1 3.064 ppm2 0.990 ASSI ( (( segid " " and resid 1631 and name HG1 )) )( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) ) 5.000 5.000 0.000 peak 6777 weight 0.10000E+01 volume 0.44200E+00 ppm1 2.021 ppm2 0.547 ASSI ( (( segid " " and resid 1631 and name HG2 )) )( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) ) 3.300 3.300 0.000 peak 6778 weight 0.10000E+01 volume 0.15060E+01 ppm1 1.789 ppm2 2.210 ASSI ( (( segid " " and resid 1631 and name HG1 )) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 6.000 6.000 0.000 peak 6783 weight 0.10000E+01 volume 0.26400E+00 ppm1 2.024 ppm2 6.623 ASSI ( (( segid " " and resid 1631 and name HG2 )) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 5.000 5.000 0.000 peak 6782 weight 0.10000E+01 volume 0.46900E+00 ppm1 1.792 ppm2 6.632 ASSI ( (( segid " " and resid 1632 and name HA )) )( (( segid " " and resid 1598 and name HE21)) ) 5.000 5.000 0.000 peak 6719 weight 0.10000E+01 volume -0.33100E+00 ppm1 4.275 ppm2 6.879 ASSI ( (( segid " " and resid 1632 and name HA )) )( (( segid " " and resid 1598 and name HE22)) ) 6.000 6.000 0.000 peak 6720 weight 0.10000E+01 volume -0.28800E+00 ppm1 4.276 ppm2 6.587 ASSI ( (( segid " " and resid 1632 and name HA )) )( (( segid " " and resid 1632 and name HB1 )) ) 3.300 3.300 0.000 peak 6715 weight 0.10000E+01 volume -0.21740E+01 ppm1 4.282 ppm2 1.880 ASSI ( (( segid " " and resid 1632 and name HA )) )( (( segid " " and resid 1632 and name HN )) ) 5.000 5.000 0.000 peak 6721 weight 0.10000E+01 volume -0.33200E+00 ppm1 4.285 ppm2 8.389 ASSI ( (( segid " " and resid 1632 and name HB2 )) )( (( segid " " and resid 1632 and name HA )) ) 5.000 5.000 0.000 peak 6727 weight 0.10000E+01 volume 0.79000E+00 ppm1 1.755 ppm2 4.269 ASSI ( (( segid " " and resid 1632 and name HD2 )) OR (( segid " " and resid 1632 and name HD1 )) )( (( segid " " and resid 1632 and name HG2 )) ) 3.300 3.300 0.000 peak 6736 weight 0.10000E+01 volume 0.15810E+01 ppm1 3.209 ppm2 1.586 ASSI ( (( segid " " and resid 1632 and name HG1 )) )( (( segid " " and resid 1632 and name HA )) ) 5.000 5.000 0.000 peak 6734 weight 0.10000E+01 volume 0.67700E+00 ppm1 1.769 ppm2 4.274 ASSI ( (( segid " " and resid 1634 and name HA )) )( (( segid " " and resid 1634 and name HB )) ) 3.300 3.300 0.000 peak 6373 weight 0.10000E+01 volume -0.16330E+01 ppm1 4.202 ppm2 4.480 ASSI ( (( segid " " and resid 1634 and name HA )) )( (( segid " " and resid 1634 and name HN )) ) 5.000 5.000 0.000 peak 6372 weight 0.10000E+01 volume -0.48300E+00 ppm1 4.204 ppm2 7.990 ASSI ( (( segid " " and resid 1634 and name HA )) )( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) ) 5.000 5.000 0.000 peak 6371 weight 0.10000E+01 volume -0.12490E+01 ppm1 4.201 ppm2 0.793 ASSI ( (( segid " " and resid 1635 and name HA )) )( (( segid " " and resid 1635 and name HG23)) OR (( segid " " and resid 1635 and name HG22)) OR (( segid " " and resid 1635 and name HG21)) ) 3.300 3.300 0.000 peak 6384 weight 0.10000E+01 volume -0.20530E+01 ppm1 4.403 ppm2 1.237 ASSI ( (( segid " " and resid 1635 and name HA )) )( (( segid " " and resid 1635 and name HN )) ) 5.000 5.000 0.000 peak 5397 weight 0.10000E+01 volume -0.30500E+00 ppm1 4.403 ppm2 8.501 ASSI ( (( segid " " and resid 1635 and name HA )) )( (( segid " " and resid 1636 and name HN )) ) 5.000 5.000 0.000 peak 6379 weight 0.10000E+01 volume -0.44200E+00 ppm1 4.398 ppm2 7.601 ASSI ( (( segid " " and resid 1635 and name HB )) )( (( segid " " and resid 1635 and name HG23)) OR (( segid " " and resid 1635 and name HG22)) OR (( segid " " and resid 1635 and name HG21)) ) 2.700 2.700 0.000 peak 6385 weight 0.10000E+01 volume -0.34220E+01 ppm1 4.362 ppm2 1.236 ASSI ( (( segid " " and resid 1636 and name HB2 )) OR (( segid " " and resid 1636 and name HB1 )) )( (( segid " " and resid 1636 and name HA )) ) 5.000 5.000 0.000 peak 5268 weight 0.10000E+01 volume 0.11190E+01 ppm1 3.496 ppm2 4.899 ASSI ( (( segid " " and resid 1641 and name HA )) )( (( segid " " and resid 1641 and name HN )) ) 5.000 5.000 0.000 peak 6364 weight 0.10000E+01 volume -0.99600E+00 ppm1 4.074 ppm2 8.462 ASSI ( (( segid " " and resid 1641 and name HA )) )( (( segid " " and resid 1644 and name HN )) ) 5.000 5.000 0.000 peak 6365 weight 0.10000E+01 volume -0.37000E+00 ppm1 4.070 ppm2 7.642 ASSI ( (( segid " " and resid 1642 and name HA )) )( (( segid " " and resid 1642 and name HB1 )) ) 5.000 5.000 0.000 peak 6360 weight 0.10000E+01 volume -0.81500E+00 ppm1 3.950 ppm2 3.031 ASSI ( (( segid " " and resid 1642 and name HA )) )( (( segid " " and resid 1642 and name HB2 )) ) 5.000 5.000 0.000 peak 6362 weight 0.10000E+01 volume -0.43700E+00 ppm1 3.955 ppm2 2.769 ASSI ( (( segid " " and resid 1642 and name HA )) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 5.000 5.000 0.000 peak 6359 weight 0.10000E+01 volume -0.74900E+00 ppm1 3.952 ppm2 6.614 ASSI ( (( segid " " and resid 1642 and name HA )) )( (( segid " " and resid 1642 and name HN )) ) 5.000 5.000 0.000 peak 6358 weight 0.10000E+01 volume -0.37500E+00 ppm1 3.952 ppm2 8.083 ASSI ( (( segid " " and resid 1642 and name HA )) )( (( segid " " and resid 1645 and name HB1 )) ) 5.000 5.000 0.000 peak 6361 weight 0.10000E+01 volume -0.77600E+00 ppm1 3.951 ppm2 2.919 ASSI ( (( segid " " and resid 1642 and name HA )) )( (( segid " " and resid 1645 and name HN )) ) 5.000 5.000 0.000 peak 6346 weight 0.10000E+01 volume -0.39200E+00 ppm1 3.956 ppm2 7.177 ASSI ( (( segid " " and resid 1642 and name HB2 )) )( (( segid " " and resid 1642 and name HB1 )) ) 3.300 3.300 0.000 peak 4671 weight 0.10000E+01 volume 0.19770E+01 ppm1 2.751 ppm2 3.036 ASSI ( (( segid " " and resid 1642 and name HB1 )) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 5.000 5.000 0.000 peak 4680 weight 0.10000E+01 volume 0.59600E+00 ppm1 3.037 ppm2 6.597 ASSI ( (( segid " " and resid 1642 and name HB2 )) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 5.000 5.000 0.000 peak 4681 weight 0.10000E+01 volume 0.65300E+00 ppm1 2.759 ppm2 6.608 ASSI ( (( segid " " and resid 1642 and name HB1 )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) ) 5.000 5.000 0.000 peak 4676 weight 0.10000E+01 volume 0.84600E+00 ppm1 3.045 ppm2 0.993 ASSI ( (( segid " " and resid 1642 and name HB2 )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) ) 5.000 5.000 0.000 peak 4677 weight 0.10000E+01 volume 0.74100E+00 ppm1 2.752 ppm2 0.990 ASSI ( (( segid " " and resid 1642 and name HB1 )) )( (( segid " " and resid 1643 and name HN )) ) 5.000 5.000 0.000 peak 5252 weight 0.10000E+01 volume 0.31000E+00 ppm1 3.032 ppm2 8.513 ASSI ( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) )( (( segid " " and resid 1642 and name HE2 )) OR (( segid " " and resid 1642 and name HE1 )) ) 5.000 5.000 0.000 peak 4687 weight 0.10000E+01 volume -0.93000E+00 ppm1 6.612 ppm2 7.321 ASSI ( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) )( (( segid " " and resid 1642 and name HN )) ) 5.000 5.000 0.000 peak 9654 weight 0.10000E+01 volume -0.35300E+00 ppm1 6.609 ppm2 8.072 ASSI ( (( segid " " and resid 1642 and name HE2 )) OR (( segid " " and resid 1642 and name HE1 )) )( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) ) 5.000 5.000 0.000 peak 4737 weight 0.10000E+01 volume -0.32800E+00 ppm1 7.300 ppm2 -0.604 ASSI ( (( segid " " and resid 1643 and name HA )) )( (( segid " " and resid 1643 and name HB1 )) ) 5.000 5.000 0.000 peak 6220 weight 0.10000E+01 volume -0.93900E+00 ppm1 3.489 ppm2 1.830 ASSI ( (( segid " " and resid 1643 and name HA )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) ) 3.300 3.300 0.000 peak 6267 weight 0.10000E+01 volume -0.18230E+01 ppm1 3.489 ppm2 0.984 ASSI ( (( segid " " and resid 1643 and name HA )) )( (( segid " " and resid 1643 and name HN )) ) 5.000 5.000 0.000 peak 5251 weight 0.10000E+01 volume -0.47000E+00 ppm1 3.485 ppm2 8.530 ASSI ( (( segid " " and resid 1643 and name HA )) )( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) ) 5.000 5.000 0.000 peak 6226 weight 0.10000E+01 volume -0.48000E+00 ppm1 3.487 ppm2 -0.595 ASSI ( (( segid " " and resid 1643 and name HB2 )) )( (( segid " " and resid 1643 and name HA )) ) 5.000 5.000 0.000 peak 6266 weight 0.10000E+01 volume 0.49800E+00 ppm1 1.448 ppm2 3.476 ASSI ( (( segid " " and resid 1643 and name HB1 )) )( (( segid " " and resid 1643 and name HB2 )) ) 3.300 3.300 0.000 peak 6272 weight 0.10000E+01 volume 0.25910E+01 ppm1 1.852 ppm2 1.436 ASSI ( (( segid " " and resid 1643 and name HB2 )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) ) 5.000 5.000 0.000 peak 6273 weight 0.10000E+01 volume 0.99700E+00 ppm1 1.441 ppm2 0.988 ASSI ( (( segid " " and resid 1643 and name HB1 )) )( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) ) 3.300 3.300 0.000 peak 6274 weight 0.10000E+01 volume 0.15610E+01 ppm1 1.848 ppm2 0.791 ASSI ( (( segid " " and resid 1643 and name HB1 )) )( (( segid " " and resid 1643 and name HN )) ) 5.000 5.000 0.000 peak 6269 weight 0.10000E+01 volume 0.88200E+00 ppm1 1.845 ppm2 8.511 ASSI ( (( segid " " and resid 1643 and name HB2 )) )( (( segid " " and resid 1643 and name HN )) ) 5.000 5.000 0.000 peak 5254 weight 0.10000E+01 volume 0.59300E+00 ppm1 1.443 ppm2 8.520 ASSI ( (( segid " " and resid 1643 and name HB1 )) )( (( segid " " and resid 1644 and name HN )) ) 5.000 5.000 0.000 peak 6270 weight 0.10000E+01 volume 0.33500E+00 ppm1 1.858 ppm2 7.621 ASSI ( (( segid " " and resid 1643 and name HB2 )) )( (( segid " " and resid 1644 and name HN )) ) 6.000 6.000 0.000 peak 5249 weight 0.10000E+01 volume 0.23000E+00 ppm1 1.445 ppm2 7.620 ASSI ( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) )( (( segid " " and resid 1630 and name HD1 )) ) 5.000 5.000 0.000 peak 5111 weight 0.10000E+01 volume 0.96500E+00 ppm1 0.991 ppm2 7.027 ASSI ( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) )( (( segid " " and resid 1643 and name HN )) ) 5.000 5.000 0.000 peak 5113 weight 0.10000E+01 volume 0.66500E+00 ppm1 0.993 ppm2 8.542 ASSI ( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) )( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) ) 5.000 5.000 0.000 peak 6250 weight 0.10000E+01 volume 0.78000E+00 ppm1 0.989 ppm2 -0.595 ASSI ( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) )( (( segid " " and resid 1643 and name HN )) ) 5.000 5.000 0.000 peak 5256 weight 0.10000E+01 volume 0.48100E+00 ppm1 0.801 ppm2 8.513 ASSI ( (( segid " " and resid 1643 and name HG )) )( (( segid " " and resid 1643 and name HA )) ) 5.000 5.000 0.000 peak 6276 weight 0.10000E+01 volume 0.39500E+00 ppm1 1.788 ppm2 3.474 ASSI ( (( segid " " and resid 1643 and name HG )) )( (( segid " " and resid 1643 and name HN )) ) 5.000 5.000 0.000 peak 6275 weight 0.10000E+01 volume 0.95600E+00 ppm1 1.788 ppm2 8.514 ASSI ( (( segid " " and resid 1644 and name HA )) )( (( segid " " and resid 1647 and name HN )) ) 5.000 5.000 0.000 peak 6340 weight 0.10000E+01 volume -0.46300E+00 ppm1 4.148 ppm2 8.561 ASSI ( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) )( (( segid " " and resid 1644 and name HN )) ) 3.300 3.300 0.000 peak 5250 weight 0.10000E+01 volume 0.24950E+01 ppm1 1.457 ppm2 7.621 ASSI ( (( segid " " and resid 1645 and name HA )) )( (( segid " " and resid 1645 and name HB1 )) ) 5.000 5.000 0.000 peak 6349 weight 0.10000E+01 volume -0.68200E+00 ppm1 4.409 ppm2 2.920 ASSI ( (( segid " " and resid 1645 and name HA )) )( (( segid " " and resid 1645 and name HB2 )) ) 3.300 3.300 0.000 peak 6350 weight 0.10000E+01 volume -0.18060E+01 ppm1 4.410 ppm2 2.375 ASSI ( (( segid " " and resid 1645 and name HB2 )) )( (( segid " " and resid 1645 and name HB1 )) ) 2.700 2.700 0.000 peak 6188 weight 0.10000E+01 volume 0.33290E+01 ppm1 2.382 ppm2 2.918 ASSI ( (( segid " " and resid 1645 and name HB1 )) )( (( segid " " and resid 1645 and name HD21)) ) 5.000 5.000 0.000 peak 5139 weight 0.10000E+01 volume 0.48600E+00 ppm1 2.923 ppm2 7.618 ASSI ( (( segid " " and resid 1645 and name HB2 )) )( (( segid " " and resid 1645 and name HD21)) ) 5.000 5.000 0.000 peak 5247 weight 0.10000E+01 volume 0.57200E+00 ppm1 2.387 ppm2 7.621 ASSI ( (( segid " " and resid 1645 and name HB1 )) )( (( segid " " and resid 1646 and name HN )) ) 5.000 5.000 0.000 peak 5237 weight 0.10000E+01 volume 0.49300E+00 ppm1 2.927 ppm2 7.067 ASSI ( (( segid " " and resid 1645 and name HB2 )) )( (( segid " " and resid 1646 and name HN )) ) 5.000 5.000 0.000 peak 5238 weight 0.10000E+01 volume 0.10260E+01 ppm1 2.391 ppm2 7.081 ASSI ( (( segid " " and resid 1646 and name HA )) )( (( segid " " and resid 1649 and name HB2 )) ) 5.000 5.000 0.000 peak 4663 weight 0.10000E+01 volume -0.60400E+00 ppm1 3.507 ppm2 3.068 ASSI ( (( segid " " and resid 1646 and name HA )) )( (( segid " " and resid 1649 and name HN )) ) 5.000 5.000 0.000 peak 5222 weight 0.10000E+01 volume -0.33300E+00 ppm1 3.501 ppm2 7.452 ASSI ( (( segid " " and resid 1646 and name HB1 )) )( (( segid " " and resid 1646 and name HA )) ) 5.000 5.000 0.000 peak 6227 weight 0.10000E+01 volume 0.60100E+00 ppm1 0.878 ppm2 3.510 ASSI ( (( segid " " and resid 1646 and name HB2 )) )( (( segid " " and resid 1646 and name HB1 )) ) 3.300 3.300 0.000 peak 6228 weight 0.10000E+01 volume 0.15710E+01 ppm1 0.135 ppm2 0.881 ASSI ( (( segid " " and resid 1646 and name HB1 )) )( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) ) 5.000 5.000 0.000 peak 6235 weight 0.10000E+01 volume 0.67500E+00 ppm1 0.881 ppm2 -0.595 ASSI ( (( segid " " and resid 1646 and name HB2 )) )( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) ) 5.000 5.000 0.000 peak 6237 weight 0.10000E+01 volume 0.51800E+00 ppm1 0.138 ppm2 -0.595 ASSI ( (( segid " " and resid 1646 and name HB2 )) )( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) ) 5.000 5.000 0.000 peak 6236 weight 0.10000E+01 volume 0.47000E+00 ppm1 0.139 ppm2 -0.200 ASSI ( (( segid " " and resid 1646 and name HB1 )) )( (( segid " " and resid 1646 and name HG )) ) 5.000 5.000 0.000 peak 6230 weight 0.10000E+01 volume 0.82200E+00 ppm1 0.880 ppm2 0.281 ASSI ( (( segid " " and resid 1646 and name HB2 )) )( (( segid " " and resid 1646 and name HG )) ) 5.000 5.000 0.000 peak 6229 weight 0.10000E+01 volume 0.89800E+00 ppm1 0.137 ppm2 0.286 ASSI ( (( segid " " and resid 1646 and name HB1 )) )( (( segid " " and resid 1646 and name HN )) ) 5.000 5.000 0.000 peak 5241 weight 0.10000E+01 volume 0.67900E+00 ppm1 0.887 ppm2 7.028 ASSI ( (( segid " " and resid 1646 and name HB2 )) )( (( segid " " and resid 1646 and name HN )) ) 5.000 5.000 0.000 peak 5243 weight 0.10000E+01 volume 0.37700E+00 ppm1 0.134 ppm2 7.029 ASSI ( (( segid " " and resid 1646 and name HB1 )) )( (( segid " " and resid 1647 and name HN )) ) 5.000 5.000 0.000 peak 1946 weight 0.10000E+01 volume 0.41400E+00 ppm1 0.889 ppm2 8.561 ASSI ( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) )( (( segid " " and resid 1630 and name HA )) ) 5.000 5.000 0.000 peak 6247 weight 0.10000E+01 volume 0.42800E+00 ppm1 -0.599 ppm2 4.823 ASSI ( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) )( (( segid " " and resid 1630 and name HD1 )) ) 5.000 5.000 0.000 peak 5245 weight 0.10000E+01 volume 0.33800E+00 ppm1 -0.590 ppm2 7.034 ASSI ( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 6.000 6.000 0.000 peak 6248 weight 0.10000E+01 volume 0.16000E+00 ppm1 -0.594 ppm2 6.631 ASSI ( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) )( (( segid " " and resid 1646 and name HA )) ) 5.000 5.000 0.000 peak 6246 weight 0.10000E+01 volume 0.34100E+00 ppm1 -0.600 ppm2 3.487 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1530 and name HE )) ) 5.000 5.000 0.000 peak 5023 weight 0.10000E+01 volume 0.42900E+00 ppm1 -0.203 ppm2 10.723 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1646 and name HN )) ) 5.000 5.000 0.000 peak 5244 weight 0.10000E+01 volume 0.38700E+00 ppm1 -0.199 ppm2 7.045 ASSI ( (( segid " " and resid 1646 and name HG )) )( (( segid " " and resid 1646 and name HA )) ) 5.000 5.000 0.000 peak 6240 weight 0.10000E+01 volume 0.38200E+00 ppm1 0.291 ppm2 3.512 ASSI ( (( segid " " and resid 1646 and name HG )) )( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) ) 5.000 5.000 0.000 peak 6239 weight 0.10000E+01 volume 0.80100E+00 ppm1 0.292 ppm2 -0.198 ASSI ( (( segid " " and resid 1646 and name HG )) )( (( segid " " and resid 1646 and name HN )) ) 5.000 5.000 0.000 peak 5242 weight 0.10000E+01 volume 0.45700E+00 ppm1 0.288 ppm2 7.047 ASSI ( (( segid " " and resid 1647 and name HA )) )( (( segid " " and resid 1647 and name HB2 )) OR (( segid " " and resid 1647 and name HB1 )) ) 2.700 2.700 0.000 peak 6344 weight 0.10000E+01 volume -0.30220E+01 ppm1 4.479 ppm2 2.626 ASSI ( (( segid " " and resid 1647 and name HA )) )( (( segid " " and resid 1647 and name HN )) ) 5.000 5.000 0.000 peak 6342 weight 0.10000E+01 volume -0.10290E+01 ppm1 4.478 ppm2 8.561 ASSI ( (( segid " " and resid 1647 and name HA )) )( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) ) 3.300 3.300 0.000 peak 6345 weight 0.10000E+01 volume -0.20010E+01 ppm1 4.475 ppm2 1.187 ASSI ( (( segid " " and resid 1648 and name HB2 )) )( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) ) 5.000 5.000 0.000 peak 6209 weight 0.10000E+01 volume 0.71400E+00 ppm1 2.062 ppm2 1.484 ASSI ( (( segid " " and resid 1648 and name HB1 )) )( (( segid " " and resid 1648 and name HA )) ) 5.000 5.000 0.000 peak 6206 weight 0.10000E+01 volume 0.12900E+01 ppm1 2.162 ppm2 4.008 ASSI ( (( segid " " and resid 1648 and name HB1 )) )( (( segid " " and resid 1648 and name HG1 )) ) 3.300 3.300 0.000 peak 6207 weight 0.10000E+01 volume 0.15680E+01 ppm1 2.165 ppm2 2.374 ASSI ( (( segid " " and resid 1648 and name HB1 )) )( (( segid " " and resid 1648 and name HN )) ) 5.000 5.000 0.000 peak 5584 weight 0.10000E+01 volume 0.11210E+01 ppm1 2.163 ppm2 7.846 ASSI ( (( segid " " and resid 1648 and name HB2 )) )( (( segid " " and resid 1648 and name HN )) ) 5.000 5.000 0.000 peak 5585 weight 0.10000E+01 volume 0.12290E+01 ppm1 2.061 ppm2 7.846 ASSI ( (( segid " " and resid 1648 and name HB1 )) )( (( segid " " and resid 1649 and name HN )) ) 5.000 5.000 0.000 peak 6203 weight 0.10000E+01 volume 0.31700E+00 ppm1 2.164 ppm2 7.436 ASSI ( (( segid " " and resid 1648 and name HB2 )) )( (( segid " " and resid 1649 and name HN )) ) 5.000 5.000 0.000 peak 1922 weight 0.10000E+01 volume 0.66400E+00 ppm1 2.056 ppm2 7.442 ASSI ( (( segid " " and resid 1648 and name HG2 )) )( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) ) 5.000 5.000 0.000 peak 6217 weight 0.10000E+01 volume 0.82300E+00 ppm1 2.087 ppm2 1.507 ASSI ( (( segid " " and resid 1648 and name HG1 )) )( (( segid " " and resid 1648 and name HN )) ) 5.000 5.000 0.000 peak 1934 weight 0.10000E+01 volume 0.37400E+00 ppm1 2.384 ppm2 7.849 ASSI ( (( segid " " and resid 1649 and name HA )) )( (( segid " " and resid 1649 and name HB1 )) ) 5.000 5.000 0.000 peak 6331 weight 0.10000E+01 volume -0.90500E+00 ppm1 4.244 ppm2 3.214 ASSI ( (( segid " " and resid 1649 and name HA )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 5.000 5.000 0.000 peak 6330 weight 0.10000E+01 volume -0.38400E+00 ppm1 4.244 ppm2 6.879 ASSI ( (( segid " " and resid 1649 and name HA )) )( (( segid " " and resid 1649 and name HN )) ) 5.000 5.000 0.000 peak 6328 weight 0.10000E+01 volume -0.32500E+00 ppm1 4.244 ppm2 7.445 ASSI ( (( segid " " and resid 1649 and name HA )) )( (( segid " " and resid 1652 and name HB2 )) OR (( segid " " and resid 1652 and name HB1 )) ) 5.000 5.000 0.000 peak 6334 weight 0.10000E+01 volume -0.35000E+00 ppm1 4.239 ppm2 2.762 ASSI ( (( segid " " and resid 1649 and name HB1 )) )( (( segid " " and resid 1646 and name HA )) ) 5.000 5.000 0.000 peak 4692 weight 0.10000E+01 volume 0.42800E+00 ppm1 3.203 ppm2 3.513 ASSI ( (( segid " " and resid 1649 and name HB2 )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 5.000 5.000 0.000 peak 4696 weight 0.10000E+01 volume 0.75900E+00 ppm1 3.077 ppm2 6.878 ASSI ( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) )( (( segid " " and resid 1649 and name HN )) ) 5.000 5.000 0.000 peak 4707 weight 0.10000E+01 volume -0.34100E+00 ppm1 6.887 ppm2 7.448 ASSI ( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 3.300 3.300 0.000 peak 4729 weight 0.10000E+01 volume -0.15060E+01 ppm1 6.580 ppm2 6.881 ASSI ( (( segid " " and resid 1650 and name HA )) )( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) ) 3.300 3.300 0.000 peak 6193 weight 0.10000E+01 volume -0.27190E+01 ppm1 2.772 ppm2 1.187 ASSI ( (( segid " " and resid 1650 and name HA )) )( (( segid " " and resid 1650 and name HN )) ) 5.000 5.000 0.000 peak 1810 weight 0.10000E+01 volume -0.64000E+00 ppm1 2.772 ppm2 8.215 ASSI ( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) )( (( segid " " and resid 1649 and name HN )) ) 5.000 5.000 0.000 peak 5224 weight 0.10000E+01 volume 0.38600E+00 ppm1 1.191 ppm2 7.471 ASSI ( (( segid " " and resid 1651 and name HA )) )( (( segid " " and resid 1651 and name HN )) ) 3.300 3.300 0.000 peak 5257 weight 0.10000E+01 volume -0.17140E+01 ppm1 4.050 ppm2 8.067 ASSI ( (( segid " " and resid 1651 and name HA )) )( (( segid " " and resid 1654 and name HB1 )) ) 5.000 5.000 0.000 peak 6327 weight 0.10000E+01 volume -0.64300E+00 ppm1 4.050 ppm2 3.370 ASSI ( (( segid " " and resid 1651 and name HA )) )( (( segid " " and resid 1654 and name HB2 )) ) 5.000 5.000 0.000 peak 6326 weight 0.10000E+01 volume -0.65400E+00 ppm1 4.047 ppm2 3.208 ASSI ( (( segid " " and resid 1651 and name HG1 )) )( (( segid " " and resid 1651 and name HN )) ) 5.000 5.000 0.000 peak 5214 weight 0.10000E+01 volume 0.40400E+00 ppm1 2.386 ppm2 8.066 ASSI ( (( segid " " and resid 1651 and name HG2 )) )( (( segid " " and resid 1651 and name HN )) ) 5.000 5.000 0.000 peak 5215 weight 0.10000E+01 volume 0.56600E+00 ppm1 2.285 ppm2 8.066 ASSI ( (( segid " " and resid 1652 and name HB2 )) )( (( segid " " and resid 1652 and name HA )) ) 3.300 3.300 0.000 peak 6185 weight 0.10000E+01 volume 0.15420E+01 ppm1 2.714 ppm2 4.330 ASSI ( (( segid " " and resid 1653 and name HA )) )( (( segid " " and resid 1657 and name HN )) ) 5.000 5.000 0.000 peak 5196 weight 0.10000E+01 volume -0.63900E+00 ppm1 3.814 ppm2 7.893 ASSI ( (( segid " " and resid 1653 and name HB )) )( (( segid " " and resid 1653 and name HA )) ) 5.000 5.000 0.000 peak 6142 weight 0.10000E+01 volume 0.10500E+01 ppm1 1.230 ppm2 3.810 ASSI ( (( segid " " and resid 1653 and name HB )) )( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 3.300 3.300 0.000 peak 6147 weight 0.10000E+01 volume 0.18090E+01 ppm1 1.231 ppm2 0.569 ASSI ( (( segid " " and resid 1653 and name HB )) )( (( segid " " and resid 1653 and name HN )) ) 5.000 5.000 0.000 peak 5209 weight 0.10000E+01 volume 0.97100E+00 ppm1 1.229 ppm2 8.067 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1653 and name HN )) ) 5.000 5.000 0.000 peak 6151 weight 0.10000E+01 volume 0.45700E+00 ppm1 0.605 ppm2 8.066 ASSI ( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) )( (( segid " " and resid 1653 and name HA )) ) 3.300 3.300 0.000 peak 6148 weight 0.10000E+01 volume 0.17910E+01 ppm1 1.140 ppm2 3.811 ASSI ( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) )( (( segid " " and resid 1653 and name HN )) ) 5.000 5.000 0.000 peak 6150 weight 0.10000E+01 volume 0.48100E+00 ppm1 1.134 ppm2 8.059 ASSI ( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) )( (( segid " " and resid 1650 and name HA )) ) 3.300 3.300 0.000 peak 6178 weight 0.10000E+01 volume 0.16790E+01 ppm1 0.561 ppm2 2.771 ASSI ( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) )( (( segid " " and resid 1653 and name HA )) ) 5.000 5.000 0.000 peak 6174 weight 0.10000E+01 volume 0.72400E+00 ppm1 0.562 ppm2 3.811 ASSI ( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) )( (( segid " " and resid 1653 and name HN )) ) 3.300 3.300 0.000 peak 5210 weight 0.10000E+01 volume 0.21370E+01 ppm1 0.563 ppm2 8.066 ASSI ( (( segid " " and resid 1654 and name HA )) )( (( segid " " and resid 1654 and name HB1 )) ) 5.000 5.000 0.000 peak 4751 weight 0.10000E+01 volume -0.51900E+00 ppm1 4.550 ppm2 3.400 ASSI ( (( segid " " and resid 1654 and name HA )) )( (( segid " " and resid 1654 and name HB2 )) ) 5.000 5.000 0.000 peak 5877 weight 0.10000E+01 volume -0.63800E+00 ppm1 4.552 ppm2 3.187 ASSI ( (( segid " " and resid 1654 and name HA )) )( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) ) 5.000 5.000 0.000 peak 4543 weight 0.10000E+01 volume -0.54600E+00 ppm1 4.552 ppm2 7.322 ASSI ( (( segid " " and resid 1654 and name HB2 )) )( (( segid " " and resid 1654 and name HB1 )) ) 2.700 2.700 0.000 peak 4709 weight 0.10000E+01 volume 0.43740E+01 ppm1 3.189 ppm2 3.392 ASSI ( (( segid " " and resid 1654 and name HB1 )) )( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) ) 5.000 5.000 0.000 peak 4715 weight 0.10000E+01 volume 0.45600E+00 ppm1 3.404 ppm2 7.346 ASSI ( (( segid " " and resid 1654 and name HB2 )) )( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) ) 5.000 5.000 0.000 peak 4716 weight 0.10000E+01 volume 0.67700E+00 ppm1 3.190 ppm2 7.334 ASSI ( (( segid " " and resid 1654 and name HB1 )) )( (( segid " " and resid 1655 and name HN )) ) 5.000 5.000 0.000 peak 4719 weight 0.10000E+01 volume 0.45400E+00 ppm1 3.402 ppm2 8.215 ASSI ( (( segid " " and resid 1654 and name HB2 )) )( (( segid " " and resid 1655 and name HN )) ) 5.000 5.000 0.000 peak 4720 weight 0.10000E+01 volume 0.40800E+00 ppm1 3.188 ppm2 8.215 ASSI ( (( segid " " and resid 1654 and name HE2 )) OR (( segid " " and resid 1654 and name HE1 )) )( (( segid " " and resid 1654 and name HB2 )) ) 6.000 6.000 0.000 peak 4727 weight 0.10000E+01 volume -0.28500E+00 ppm1 7.409 ppm2 3.199 ASSI ( (( segid " " and resid 1654 and name HE2 )) OR (( segid " " and resid 1654 and name HE1 )) )( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) OR (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) ) 6.000 6.000 0.000 peak 4726 weight 0.10000E+01 volume -0.21100E+00 ppm1 7.416 ppm2 0.891 ASSI ( (( segid " " and resid 1655 and name HA )) )( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) OR (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) ) 3.300 3.300 0.000 peak 6117 weight 0.10000E+01 volume -0.23350E+01 ppm1 4.054 ppm2 0.890 ASSI ( (( segid " " and resid 1655 and name HB1 )) )( (( segid " " and resid 1655 and name HA )) ) 5.000 5.000 0.000 peak 6121 weight 0.10000E+01 volume 0.81200E+00 ppm1 1.827 ppm2 4.056 ASSI ( (( segid " " and resid 1655 and name HB2 )) )( (( segid " " and resid 1655 and name HA )) ) 5.000 5.000 0.000 peak 6123 weight 0.10000E+01 volume 0.11760E+01 ppm1 1.495 ppm2 4.057 ASSI ( (( segid " " and resid 1655 and name HB2 )) )( (( segid " " and resid 1655 and name HB1 )) ) 2.700 2.700 0.000 peak 6124 weight 0.10000E+01 volume 0.49060E+01 ppm1 1.493 ppm2 1.830 ASSI ( (( segid " " and resid 1655 and name HB1 )) )( (( segid " " and resid 1655 and name HN )) ) 5.000 5.000 0.000 peak 5201 weight 0.10000E+01 volume 0.89800E+00 ppm1 1.826 ppm2 8.221 ASSI ( (( segid " " and resid 1655 and name HB2 )) )( (( segid " " and resid 1655 and name HN )) ) 5.000 5.000 0.000 peak 5204 weight 0.10000E+01 volume 0.60000E+00 ppm1 1.495 ppm2 8.232 ASSI ( (( segid " " and resid 1655 and name HB1 )) )( (( segid " " and resid 1656 and name HN )) ) 5.000 5.000 0.000 peak 5198 weight 0.10000E+01 volume 0.33500E+00 ppm1 1.826 ppm2 8.536 ASSI ( (( segid " " and resid 1655 and name HB2 )) )( (( segid " " and resid 1656 and name HN )) ) 5.000 5.000 0.000 peak 5199 weight 0.10000E+01 volume 0.70400E+00 ppm1 1.492 ppm2 8.540 ASSI ( (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) )( (( segid " " and resid 1655 and name HA )) ) 5.000 5.000 0.000 peak 6119 weight 0.10000E+01 volume 0.80700E+00 ppm1 0.930 ppm2 4.057 ASSI ( (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) )( (( segid " " and resid 1656 and name HN )) ) 5.000 5.000 0.000 peak 6136 weight 0.10000E+01 volume 0.40800E+00 ppm1 0.932 ppm2 8.512 ASSI ( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) OR (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) )( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) ) 5.000 5.000 0.000 peak 6139 weight 0.10000E+01 volume 0.59100E+00 ppm1 0.901 ppm2 7.346 ASSI ( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) )( (( segid " " and resid 1655 and name HA )) ) 3.300 3.300 0.000 peak 6118 weight 0.10000E+01 volume 0.20380E+01 ppm1 0.899 ppm2 4.057 ASSI ( (( segid " " and resid 1655 and name HG )) )( (( segid " " and resid 1655 and name HA )) ) 5.000 5.000 0.000 peak 6130 weight 0.10000E+01 volume 0.90900E+00 ppm1 1.832 ppm2 4.057 ASSI ( (( segid " " and resid 1655 and name HG )) )( (( segid " " and resid 1655 and name HB2 )) ) 5.000 5.000 0.000 peak 6129 weight 0.10000E+01 volume 0.12360E+01 ppm1 1.838 ppm2 1.485 ASSI ( (( segid " " and resid 1655 and name HG )) )( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) OR (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) ) 3.300 3.300 0.000 peak 6128 weight 0.10000E+01 volume 0.29700E+01 ppm1 1.836 ppm2 0.907 ASSI ( (( segid " " and resid 1656 and name HB1 )) )( (( segid " " and resid 1656 and name HA )) ) 5.000 5.000 0.000 peak 6115 weight 0.10000E+01 volume 0.71700E+00 ppm1 2.791 ppm2 4.802 ASSI ( (( segid " " and resid 1656 and name HB2 )) )( (( segid " " and resid 1656 and name HA )) ) 3.300 3.300 0.000 peak 6116 weight 0.10000E+01 volume 0.18670E+01 ppm1 2.683 ppm2 4.800 ASSI ( (( segid " " and resid 1656 and name HB1 )) )( (( segid " " and resid 1656 and name HD22)) ) 5.000 5.000 0.000 peak 377 weight 0.10000E+01 volume 0.64100E+00 ppm1 2.792 ppm2 6.951 ASSI ( (( segid " " and resid 1658 and name HB2 )) )( (( segid " " and resid 1535 and name HB1 )) ) 5.000 5.000 0.000 peak 4714 weight 0.10000E+01 volume 0.66800E+00 ppm1 2.639 ppm2 3.316 ASSI ( (( segid " " and resid 1658 and name HB2 )) )( (( segid " " and resid 1657 and name HA2 )) OR (( segid " " and resid 1657 and name HA1 )) ) 5.000 5.000 0.000 peak 1798 weight 0.10000E+01 volume 0.76400E+00 ppm1 2.647 ppm2 4.007 ASSI ( (( segid " " and resid 1658 and name HB2 )) )( (( segid " " and resid 1658 and name HB1 )) ) 2.700 2.700 0.000 peak 5651 weight 0.10000E+01 volume 0.49700E+01 ppm1 2.643 ppm2 3.147 ASSI ( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) )( (( segid " " and resid 1609 and name HG12)) OR (( segid " " and resid 1601 and name HG12)) OR (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1573 and name HG13)) OR (( segid " " and resid 1573 and name HG12)) OR (( segid " " and resid 1573 and name HG11)) OR (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) ) 5.000 5.000 0.000 peak 7187 weight 0.10000E+01 volume 0.72600E+00 ppm1 6.804 ppm2 1.038 ASSI ( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) )( (( segid " " and resid 1617 and name HB2 )) OR (( segid " " and resid 1605 and name HG2 )) OR (( segid " " and resid 1600 and name HB1 )) ) 5.000 5.000 0.000 peak 7185 weight 0.10000E+01 volume 0.77000E+00 ppm1 6.808 ppm2 2.373 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) OR (( segid " " and resid 1543 and name HD2 )) OR (( segid " " and resid 1543 and name HD1 )) ) 5.000 5.000 0.000 peak 6479 weight 0.10000E+01 volume 0.34100E+00 ppm1 0.633 ppm2 6.878 ASSI ( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) )( (( segid " " and resid 1602 and name HA )) ) 5.000 5.000 0.000 peak 7075 weight 0.10000E+01 volume 0.44200E+00 ppm1 0.727 ppm2 5.000 ASSI ( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) )( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) ) 5.000 5.000 0.000 peak 7990 weight 0.10000E+01 volume 0.13720E+01 ppm1 1.099 ppm2 0.247 ASSI ( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) )( (( segid " " and resid 1571 and name HG1 )) ) 5.000 5.000 0.000 peak 8283 weight 0.10000E+01 volume 0.12840E+01 ppm1 1.406 ppm2 2.277 ASSI ( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) OR (( segid " " and resid 1575 and name HG2 )) OR (( segid " " and resid 1575 and name HG1 )) OR (( segid " " and resid 1571 and name HG2 )) ) 5.000 5.000 0.000 peak 8284 weight 0.10000E+01 volume 0.81300E+00 ppm1 1.408 ppm2 2.149 ASSI ( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1652 and name HB1 )) OR (( segid " " and resid 1568 and name HE2 )) OR (( segid " " and resid 1568 and name HE1 )) ) 5.000 5.000 0.000 peak 8279 weight 0.10000E+01 volume 0.64800E+00 ppm1 1.403 ppm2 2.871 ASSI ( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) )( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) ) 5.000 5.000 0.000 peak 6763 weight 0.10000E+01 volume 0.72500E+00 ppm1 1.004 ppm2 2.226 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) )( (( segid " " and resid 1604 and name HE2 )) OR (( segid " " and resid 1604 and name HE1 )) ) 5.000 5.000 0.000 peak 7012 weight 0.10000E+01 volume 0.65000E+00 ppm1 0.850 ppm2 3.047 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1624 and name HA )) OR (( segid " " and resid 1607 and name HA )) ) 5.000 5.000 0.000 peak 7011 weight 0.10000E+01 volume 0.86500E+00 ppm1 0.852 ppm2 4.427 ASSI ( (( segid " " and resid 1585 and name HG2 )) OR (( segid " " and resid 1531 and name HG1 )) )( (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) OR (( segid " " and resid 1531 and name HE1 )) ) 5.000 5.000 0.000 peak 9392 weight 0.10000E+01 volume 0.79200E+00 ppm1 1.505 ppm2 2.968 ASSI ( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) OR (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) )( (( segid " " and resid 1630 and name HZ3 )) OR (( segid " " and resid 1626 and name HZ2 )) OR (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1530 and name HN )) ) 5.000 5.000 0.000 peak 7040 weight 0.10000E+01 volume 0.45800E+00 ppm1 0.724 ppm2 7.176 ASSI ( (( segid " " and resid 1655 and name HG )) OR (( segid " " and resid 1631 and name HG2 )) )( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) OR (( segid " " and resid 1642 and name HE2 )) OR (( segid " " and resid 1642 and name HE1 )) ) 5.000 5.000 0.000 peak 6419 weight 0.10000E+01 volume 0.59600E+00 ppm1 1.833 ppm2 7.327 ASSI ( (( segid " " and resid 1585 and name HD1 )) OR (( segid " " and resid 1576 and name HD2 )) OR (( segid " " and resid 1576 and name HD1 )) OR (( segid " " and resid 1531 and name HD1 )) )( (( segid " " and resid 1588 and name HB1 )) OR (( segid " " and resid 1576 and name HA )) OR (( segid " " and resid 1533 and name HB )) ) 5.000 5.000 0.000 peak 8163 weight 0.10000E+01 volume 0.55800E+00 ppm1 1.679 ppm2 3.562 ASSI ( (( segid " " and resid 1598 and name HB2 )) )( (( segid " " and resid 1598 and name HG1 )) OR (( segid " " and resid 1598 and name HB1 )) ) 2.700 2.700 0.000 peak 7605 weight 0.10000E+01 volume 0.36600E+01 ppm1 1.784 ppm2 2.596 ASSI ( (( segid " " and resid 1632 and name HB1 )) OR (( segid " " and resid 1537 and name HB2 )) )( (( segid " " and resid 1632 and name HA )) OR (( segid " " and resid 1537 and name HA )) ) 3.300 3.300 0.000 peak 6722 weight 0.10000E+01 volume 0.24560E+01 ppm1 1.907 ppm2 4.274 ASSI ( (( segid " " and resid 1648 and name HG2 )) OR (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1601 and name HG11)) OR (( segid " " and resid 1568 and name HD1 )) OR (( segid " " and resid 1568 and name HB2 )) OR (( segid " " and resid 1531 and name HG1 )) OR (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) OR (( segid " " and resid 1518 and name HG1 )) ) 5.000 5.000 0.000 peak 6535 weight 0.10000E+01 volume 0.67700E+00 ppm1 2.114 ppm2 1.513 ASSI ( (( segid " " and resid 1559 and name HB2 )) )( (( segid " " and resid 1593 and name HB2 )) OR (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 6.000 6.000 0.000 peak 6658 weight 0.10000E+01 volume 0.21300E+00 ppm1 2.915 ppm2 0.600 ASSI ( (( segid " " and resid 1576 and name HE2 )) OR (( segid " " and resid 1576 and name HE1 )) )( (( segid " " and resid 1565 and name HA )) ) 5.000 5.000 0.000 peak 8411 weight 0.10000E+01 volume 0.70900E+00 ppm1 3.020 ppm2 4.579 ASSI ( (( segid " " and resid 1599 and name HB1 )) OR (( segid " " and resid 1597 and name HD1 )) )( (( segid " " and resid 1599 and name HB2 )) OR (( segid " " and resid 1597 and name HB1 )) ) 3.300 3.300 0.000 peak 7420 weight 0.10000E+01 volume 0.16460E+01 ppm1 2.886 ppm2 2.234 ASSI ( (( segid " " and resid 1540 and name HA )) )( (( segid " " and resid 1568 and name HE2 )) OR (( segid " " and resid 1568 and name HE1 )) ) 5.000 5.000 0.000 peak 9689 weight 0.10000E+01 volume -0.32700E+00 ppm1 4.397 ppm2 2.918 ASSI ( (( segid " " and resid 1540 and name HA )) )( (( segid " " and resid 1570 and name HA2 )) OR (( segid " " and resid 1537 and name HD2 )) OR (( segid " " and resid 1537 and name HD1 )) OR (( segid " " and resid 1534 and name HA )) ) 5.000 5.000 0.000 peak 9690 weight 0.10000E+01 volume -0.35900E+00 ppm1 4.397 ppm2 3.861 ASSI ( (( segid " " and resid 1540 and name HA )) )( (( segid " " and resid 1606 and name HA )) OR (( segid " " and resid 1605 and name HA )) ) 6.000 6.000 0.000 peak 9691 weight 0.10000E+01 volume -0.27100E+00 ppm1 4.397 ppm2 3.984 ASSI ( (( segid " " and resid 1621 and name HA )) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) ) 5.000 5.000 0.000 peak 7023 weight 0.10000E+01 volume -0.14640E+01 ppm1 5.012 ppm2 0.793 ASSI ( (( segid " " and resid 1621 and name HA )) OR (( segid " " and resid 1602 and name HA )) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) OR (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) ) 5.000 5.000 0.000 peak 6994 weight 0.10000E+01 volume -0.12550E+01 ppm1 5.011 ppm2 1.383 ASSI ( (( segid " " and resid 1621 and name HA )) OR (( segid " " and resid 1602 and name HA )) )( (( segid " " and resid 1621 and name HB1 )) OR (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) ) 5.000 5.000 0.000 peak 7373 weight 0.10000E+01 volume -0.14000E+01 ppm1 5.014 ppm2 2.107 ASSI ( (( segid " " and resid 1621 and name HA )) OR (( segid " " and resid 1602 and name HA )) )( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) OR (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) OR (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 7024 weight 0.10000E+01 volume -0.69800E+00 ppm1 5.012 ppm2 0.941 ASSI ( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) )( (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1565 and name HA )) OR (( segid " " and resid 1541 and name HA )) ) 5.000 5.000 0.000 peak 8391 weight 0.10000E+01 volume 0.72200E+00 ppm1 0.631 ppm2 4.578 ASSI ( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) )( (( segid " " and resid 1619 and name HB1 )) OR (( segid " " and resid 1590 and name HB1 )) OR (( segid " " and resid 1588 and name HB2 )) OR (( segid " " and resid 1584 and name HE2 )) OR (( segid " " and resid 1582 and name HB2 )) OR (( segid " " and resid 1577 and name HB1 )) OR (( segid " " and resid 1576 and name HE2 )) OR (( segid " " and resid 1576 and name HE1 )) OR (( segid " " and resid 1543 and name HB2 )) ) 5.000 5.000 0.000 peak 8396 weight 0.10000E+01 volume 0.62600E+00 ppm1 0.628 ppm2 3.020 ASSI ( (( segid " " and resid 1565 and name HA )) )( (( segid " " and resid 1565 and name HN )) ) 5.000 5.000 0.000 peak 7555 weight 0.10000E+01 volume -0.85600E+00 ppm1 4.577 ppm2 7.752 ASSI ( (( segid " " and resid 1565 and name HA )) )( (( segid " " and resid 1574 and name HB1 )) OR (( segid " " and resid 1566 and name HG11)) OR (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) OR (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) OR (( segid " " and resid 1544 and name HE2 )) ) 5.000 5.000 0.000 peak 8408 weight 0.10000E+01 volume -0.55900E+00 ppm1 4.579 ppm2 1.083 ASSI ( (( segid " " and resid 1607 and name HA )) OR (( segid " " and resid 1575 and name HA )) )( (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB1 )) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) ) 5.000 5.000 0.000 peak 8400 weight 0.10000E+01 volume -0.13490E+01 ppm1 4.444 ppm2 0.643 ASSI ( (( segid " " and resid 1584 and name HA )) OR (( segid " " and resid 1558 and name HA )) )( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) OR (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 7960 weight 0.10000E+01 volume -0.71400E+00 ppm1 5.189 ppm2 0.693 ASSI ( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) )( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1521 and name HD13)) OR (( segid " " and resid 1521 and name HD12)) OR (( segid " " and resid 1521 and name HD11)) ) 5.000 5.000 0.000 peak 6870 weight 0.10000E+01 volume -0.61000E+00 ppm1 6.857 ppm2 0.889 ASSI ( (( segid " " and resid 1579 and name HA )) )( (( segid " " and resid 1579 and name HG2 )) OR (( segid " " and resid 1579 and name HB2 )) OR (( segid " " and resid 1579 and name HB1 )) ) 2.700 2.700 0.000 peak 8583 weight 0.10000E+01 volume -0.34320E+01 ppm1 5.305 ppm2 1.931 ASSI ( (( segid " " and resid 1544 and name HA )) )( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1580 and name HG11)) OR (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) OR (( segid " " and resid 1563 and name HG )) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 9058 weight 0.10000E+01 volume -0.35900E+00 ppm1 5.666 ppm2 0.939 ASSI ( (( segid " " and resid 1559 and name HA )) OR (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1559 and name HB2 )) OR (( segid " " and resid 1547 and name HB )) ) 5.000 5.000 0.000 peak 8635 weight 0.10000E+01 volume -0.91300E+00 ppm1 5.368 ppm2 2.905 ASSI ( (( segid " " and resid 1559 and name HA )) OR (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) OR (( segid " " and resid 1564 and name HB1 )) OR (( segid " " and resid 1558 and name HG1 )) OR (( segid " " and resid 1550 and name HG12)) OR (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) OR (( segid " " and resid 1547 and name HG12)) ) 5.000 5.000 0.000 peak 8979 weight 0.10000E+01 volume -0.36200E+00 ppm1 5.357 ppm2 1.285 ASSI ( (( segid " " and resid 1605 and name HA )) )( (( segid " " and resid 1604 and name HG2 )) OR (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 3.300 3.300 0.000 peak 7563 weight 0.10000E+01 volume -0.18910E+01 ppm1 4.000 ppm2 1.634 ASSI ( (( segid " " and resid 1599 and name HA )) )( (( segid " " and resid 1600 and name HB1 )) ) 5.000 5.000 0.000 peak 7154 weight 0.10000E+01 volume -0.92800E+00 ppm1 5.487 ppm2 2.383 ASSI ( (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) )( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1541 and name HN )) ) 5.000 5.000 0.000 peak 7145 weight 0.10000E+01 volume 0.11530E+01 ppm1 0.723 ppm2 6.974 ASSI ( (( segid " " and resid 1643 and name HA )) )( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) OR (( segid " " and resid 1634 and name HG23)) OR (( segid " " and resid 1634 and name HG22)) OR (( segid " " and resid 1634 and name HG21)) OR (( segid " " and resid 1521 and name HG )) ) 5.000 5.000 0.000 peak 6611 weight 0.10000E+01 volume -0.33100E+00 ppm1 3.498 ppm2 1.175 ASSI ( (( segid " " and resid 1643 and name HA )) )( (( segid " " and resid 1646 and name HB1 )) ) 5.000 5.000 0.000 peak 6613 weight 0.10000E+01 volume -0.11320E+01 ppm1 3.502 ppm2 0.884 ASSI ( (( segid " " and resid 1578 and name HA )) )( (( segid " " and resid 1579 and name HG2 )) OR (( segid " " and resid 1579 and name HB2 )) OR (( segid " " and resid 1579 and name HB1 )) OR (( segid " " and resid 1575 and name HB1 )) ) 5.000 5.000 0.000 peak 8102 weight 0.10000E+01 volume -0.39600E+00 ppm1 4.525 ppm2 1.942 ASSI ( (( segid " " and resid 1571 and name HA )) OR (( segid " " and resid 1538 and name HA )) )( (( segid " " and resid 1571 and name HG1 )) OR (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) ) 2.700 2.700 0.000 peak 9213 weight 0.10000E+01 volume -0.31480E+01 ppm1 4.072 ppm2 2.274 ASSI ( (( segid " " and resid 1651 and name HA )) OR (( segid " " and resid 1648 and name HA )) OR (( segid " " and resid 1528 and name HA )) )( (( segid " " and resid 1655 and name HB2 )) OR (( segid " " and resid 1531 and name HG1 )) OR (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) ) 5.000 5.000 0.000 peak 6531 weight 0.10000E+01 volume -0.74500E+00 ppm1 4.002 ppm2 1.529 ASSI ( (( segid " " and resid 1528 and name HA )) )( (( segid " " and resid 1531 and name HB2 )) OR (( segid " " and resid 1528 and name HB2 )) ) 3.300 3.300 0.000 peak 6530 weight 0.10000E+01 volume -0.24800E+01 ppm1 4.001 ppm2 1.917 ASSI ( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) )( (( segid " " and resid 1560 and name HA )) ) 3.300 3.300 0.000 peak 8033 weight 0.10000E+01 volume 0.15130E+01 ppm1 1.102 ppm2 5.245 ASSI ( (( segid " " and resid 1551 and name HG23)) OR (( segid " " and resid 1551 and name HG22)) OR (( segid " " and resid 1551 and name HG21)) )( (( segid " " and resid 1553 and name HA )) OR (( segid " " and resid 1551 and name HA )) ) 3.300 3.300 0.000 peak 6708 weight 0.10000E+01 volume 0.26320E+01 ppm1 1.207 ppm2 4.602 ASSI ( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) OR (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) )( (( segid " " and resid 1642 and name HB2 )) OR (( segid " " and resid 1630 and name HB2 )) ) 5.000 5.000 0.000 peak 6623 weight 0.10000E+01 volume 0.98300E+00 ppm1 1.001 ppm2 2.770 ASSI ( (( segid " " and resid 1552 and name HA )) )( (( segid " " and resid 1558 and name HN )) ) 5.000 5.000 0.000 peak 8820 weight 0.10000E+01 volume -0.34500E+00 ppm1 4.270 ppm2 8.956 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) )( (( segid " " and resid 1603 and name HA2 )) OR (( segid " " and resid 1539 and name HA )) ) 5.000 5.000 0.000 peak 7293 weight 0.10000E+01 volume 0.53200E+00 ppm1 0.850 ppm2 3.910 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1620 and name HD1 )) OR (( segid " " and resid 1538 and name HA )) ) 5.000 5.000 0.000 peak 7291 weight 0.10000E+01 volume 0.58400E+00 ppm1 0.850 ppm2 4.106 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) )( (( segid " " and resid 1625 and name HB )) OR (( segid " " and resid 1623 and name HB1 )) OR (( segid " " and resid 1623 and name HA )) OR (( segid " " and resid 1620 and name HD2 )) OR (( segid " " and resid 1606 and name HA )) OR (( segid " " and resid 1605 and name HA )) ) 5.000 5.000 0.000 peak 7292 weight 0.10000E+01 volume 0.70100E+00 ppm1 0.850 ppm2 4.009 ASSI ( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1580 and name HG11)) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1541 and name HE1 )) ) 6.000 6.000 0.000 peak 8046 weight 0.10000E+01 volume 0.27800E+00 ppm1 0.972 ppm2 7.176 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1575 and name HG2 )) OR (( segid " " and resid 1575 and name HG1 )) ) 5.000 5.000 0.000 peak 8514 weight 0.10000E+01 volume 0.41200E+00 ppm1 0.130 ppm2 2.176 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1545 and name HB )) ) 5.000 5.000 0.000 peak 8512 weight 0.10000E+01 volume 0.45400E+00 ppm1 0.123 ppm2 2.275 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1576 and name HB2 )) OR (( segid " " and resid 1576 and name HB1 )) OR (( segid " " and resid 1568 and name HB2 )) OR (( segid " " and resid 1566 and name HB )) ) 5.000 5.000 0.000 peak 8364 weight 0.10000E+01 volume 0.11330E+01 ppm1 0.129 ppm2 1.583 ASSI ( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1624 and name HG )) )( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) OR (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) ) 3.300 3.300 0.000 peak 6625 weight 0.10000E+01 volume 0.18250E+01 ppm1 1.794 ppm2 0.837 ASSI ( (( segid " " and resid 1643 and name HG )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) ) 3.300 3.300 0.000 peak 6624 weight 0.10000E+01 volume 0.20260E+01 ppm1 1.797 ppm2 0.986 ASSI ( (( segid " " and resid 1640 and name HB2 )) OR (( segid " " and resid 1640 and name HB1 )) OR (( segid " " and resid 1537 and name HG1 )) OR (( segid " " and resid 1518 and name HB1 )) )( (( segid " " and resid 1635 and name HA )) OR (( segid " " and resid 1540 and name HA )) OR (( segid " " and resid 1536 and name HA )) OR (( segid " " and resid 1522 and name HA )) OR (( segid " " and resid 1517 and name HA )) OR (( segid " " and resid 1516 and name HA )) ) 5.000 5.000 0.000 peak 9252 weight 0.10000E+01 volume 0.74600E+00 ppm1 2.148 ppm2 4.436 ASSI ( (( segid " " and resid 1601 and name HG12)) )( (( segid " " and resid 1601 and name HG11)) ) 3.300 3.300 0.000 peak 7484 weight 0.10000E+01 volume 0.25090E+01 ppm1 1.027 ppm2 1.536 ASSI ( (( segid " " and resid 1651 and name HG2 )) OR (( segid " " and resid 1571 and name HG1 )) OR (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) )( (( segid " " and resid 1651 and name HA )) OR (( segid " " and resid 1571 and name HA )) OR (( segid " " and resid 1538 and name HA )) ) 2.700 2.700 0.000 peak 9218 weight 0.10000E+01 volume 0.44370E+01 ppm1 2.297 ppm2 4.058 ASSI ( (( segid " " and resid 1651 and name HG2 )) OR (( segid " " and resid 1571 and name HG1 )) OR (( segid " " and resid 1538 and name HG2 )) OR (( segid " " and resid 1538 and name HG1 )) )( (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) OR (( segid " " and resid 1568 and name HD2 )) OR (( segid " " and resid 1539 and name HG12)) ) 6.000 6.000 0.000 peak 9220 weight 0.10000E+01 volume 0.60000E-01 ppm1 2.275 ppm2 1.237 ASSI ( (( segid " " and resid 1604 and name HE2 )) OR (( segid " " and resid 1604 and name HE1 )) OR (( segid " " and resid 1595 and name HE2 )) OR (( segid " " and resid 1595 and name HE1 )) OR (( segid " " and resid 1576 and name HE2 )) OR (( segid " " and resid 1576 and name HE1 )) )( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) OR (( segid " " and resid 1563 and name HG )) ) 5.000 5.000 0.000 peak 7355 weight 0.10000E+01 volume 0.90700E+00 ppm1 3.064 ppm2 0.898 ASSI ( (( segid " " and resid 1558 and name HE2 )) OR (( segid " " and resid 1558 and name HE1 )) )( (( segid " " and resid 1557 and name HA )) ) 5.000 5.000 0.000 peak 8772 weight 0.10000E+01 volume 0.84700E+00 ppm1 2.659 ppm2 4.450 ASSI ( (( segid " " and resid 1582 and name HB2 )) OR (( segid " " and resid 1556 and name HB1 )) )( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 7962 weight 0.10000E+01 volume 0.59500E+00 ppm1 3.031 ppm2 0.725 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1543 and name HA )) ) 5.000 5.000 0.000 peak 8286 weight 0.10000E+01 volume 0.39500E+00 ppm1 1.406 ppm2 5.741 ASSI ( (( segid " " and resid 1516 and name HA )) )( (( segid " " and resid 1513 and name HB1 )) ) 3.300 3.300 0.000 peak 9517 weight 0.10000E+01 volume -0.15580E+01 ppm1 4.444 ppm2 2.837 ASSI ( (( segid " " and resid 1575 and name HA )) OR (( segid " " and resid 1516 and name HA )) )( (( segid " " and resid 1541 and name HB2 )) OR (( segid " " and resid 1517 and name HG2 )) OR (( segid " " and resid 1517 and name HG1 )) ) 5.000 5.000 0.000 peak 9518 weight 0.10000E+01 volume -0.12760E+01 ppm1 4.444 ppm2 2.523 ASSI ( (( segid " " and resid 1513 and name HA )) )( (( segid " " and resid 1623 and name HB2 )) ) 6.000 6.000 0.000 peak 6705 weight 0.10000E+01 volume -0.22900E+00 ppm1 4.701 ppm2 3.858 ASSI ( (( segid " " and resid 1514 and name HB2 )) )( (( segid " " and resid 1588 and name HA )) ) 5.000 5.000 0.000 peak 7821 weight 0.10000E+01 volume 0.84300E+00 ppm1 2.767 ppm2 5.113 ASSI ( (( segid " " and resid 1517 and name HA )) )( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) OR (( segid " " and resid 1593 and name HG )) ) 5.000 5.000 0.000 peak 6925 weight 0.10000E+01 volume -0.10370E+01 ppm1 4.457 ppm2 0.543 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) ) 6.000 6.000 0.000 peak 9667 weight 0.10000E+01 volume 0.22000E+00 ppm1 1.965 ppm2 -0.248 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1625 and name HB )) OR (( segid " " and resid 1593 and name HA )) ) 5.000 5.000 0.000 peak 9669 weight 0.10000E+01 volume 0.78200E+00 ppm1 1.963 ppm2 3.958 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1592 and name HA )) ) 5.000 5.000 0.000 peak 9671 weight 0.10000E+01 volume 0.38000E+00 ppm1 1.969 ppm2 4.361 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1517 and name HA )) OR (( segid " " and resid 1516 and name HA )) ) 5.000 5.000 0.000 peak 9670 weight 0.10000E+01 volume 0.42600E+00 ppm1 1.964 ppm2 4.476 ASSI ( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) )( (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 7190 weight 0.10000E+01 volume 0.13650E+01 ppm1 1.965 ppm2 6.781 ASSI ( (( segid " " and resid 1520 and name HB2 )) OR (( segid " " and resid 1520 and name HB1 )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 6873 weight 0.10000E+01 volume 0.71900E+00 ppm1 1.901 ppm2 6.856 ASSI ( (( segid " " and resid 1520 and name HG1 )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 9605 weight 0.10000E+01 volume 0.41500E+00 ppm1 2.440 ppm2 6.830 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1521 and name HG )) ) 5.000 5.000 0.000 peak 9569 weight 0.10000E+01 volume 0.13050E+01 ppm1 0.582 ppm2 1.191 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) ) 5.000 5.000 0.000 peak 7578 weight 0.10000E+01 volume 0.68300E+00 ppm1 0.581 ppm2 6.850 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1642 and name HA )) OR (( segid " " and resid 1640 and name HA )) OR (( segid " " and resid 1638 and name HB2 )) OR (( segid " " and resid 1638 and name HB1 )) OR (( segid " " and resid 1519 and name HA )) ) 5.000 5.000 0.000 peak 9575 weight 0.10000E+01 volume 0.58700E+00 ppm1 0.581 ppm2 3.970 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1641 and name HA )) OR (( segid " " and resid 1631 and name HA )) ) 5.000 5.000 0.000 peak 9576 weight 0.10000E+01 volume 0.11850E+01 ppm1 0.579 ppm2 4.061 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1631 and name HG1 )) ) 5.000 5.000 0.000 peak 6784 weight 0.10000E+01 volume 0.70500E+00 ppm1 0.581 ppm2 2.031 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) OR (( segid " " and resid 1520 and name HG2 )) ) 5.000 5.000 0.000 peak 6762 weight 0.10000E+01 volume 0.58100E+00 ppm1 0.583 ppm2 2.228 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1639 and name HA )) OR (( segid " " and resid 1520 and name HA )) ) 5.000 5.000 0.000 peak 9574 weight 0.10000E+01 volume 0.13010E+01 ppm1 0.581 ppm2 4.156 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1629 and name HB1 )) OR (( segid " " and resid 1522 and name HB1 )) ) 6.000 6.000 0.000 peak 9572 weight 0.10000E+01 volume 0.20100E+00 ppm1 0.580 ppm2 3.223 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1642 and name HE2 )) OR (( segid " " and resid 1642 and name HE1 )) ) 5.000 5.000 0.000 peak 9579 weight 0.10000E+01 volume 0.34800E+00 ppm1 0.581 ppm2 7.324 ASSI ( (( segid " " and resid 1522 and name HB1 )) )( (( segid " " and resid 1525 and name HG11)) OR (( segid " " and resid 1521 and name HA )) ) 5.000 5.000 0.000 peak 9524 weight 0.10000E+01 volume 0.38600E+00 ppm1 3.224 ppm2 1.542 ASSI ( (( segid " " and resid 1525 and name HB )) )( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) OR (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) ) 2.700 2.700 0.000 peak 9466 weight 0.10000E+01 volume 0.30760E+01 ppm1 1.959 ppm2 1.089 ASSI ( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) )( (( segid " " and resid 1628 and name HG2 )) OR (( segid " " and resid 1519 and name HG1 )) ) 5.000 5.000 0.000 peak 9486 weight 0.10000E+01 volume 0.83900E+00 ppm1 1.112 ppm2 2.322 ASSI ( (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) )( (( segid " " and resid 1626 and name HZ2 )) OR (( segid " " and resid 1533 and name HN )) ) 5.000 5.000 0.000 peak 6966 weight 0.10000E+01 volume 0.99100E+00 ppm1 1.095 ppm2 7.224 ASSI ( (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) )( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) OR (( segid " " and resid 1525 and name HB )) ) 3.300 3.300 0.000 peak 9478 weight 0.10000E+01 volume 0.18940E+01 ppm1 1.096 ppm2 1.963 ASSI ( (( segid " " and resid 1526 and name HA )) )( (( segid " " and resid 1526 and name HB2 )) ) 3.300 3.300 0.000 peak 9454 weight 0.10000E+01 volume -0.26730E+01 ppm1 4.472 ppm2 4.059 ASSI ( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) )( (( segid " " and resid 1528 and name HG2 )) OR (( segid " " and resid 1528 and name HG1 )) ) 3.300 3.300 0.000 peak 9449 weight 0.10000E+01 volume 0.21650E+01 ppm1 1.518 ppm2 2.227 ASSI ( (( segid " " and resid 1528 and name HG2 )) OR (( segid " " and resid 1528 and name HG1 )) )( (( segid " " and resid 1528 and name HA )) OR (( segid " " and resid 1526 and name HB2 )) ) 2.700 2.700 0.000 peak 6683 weight 0.10000E+01 volume 0.34840E+01 ppm1 2.239 ppm2 4.008 ASSI ( (( segid " " and resid 1529 and name HA )) )( (( segid " " and resid 1532 and name HG1 )) ) 5.000 5.000 0.000 peak 9429 weight 0.10000E+01 volume -0.36700E+00 ppm1 3.798 ppm2 2.524 ASSI ( (( segid " " and resid 1529 and name HB )) )( (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) ) 3.300 3.300 0.000 peak 9434 weight 0.10000E+01 volume -0.28720E+01 ppm1 4.124 ppm2 1.088 ASSI ( (( segid " " and resid 1531 and name HA )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) OR (( segid " " and resid 1530 and name HG1 )) ) 5.000 5.000 0.000 peak 9374 weight 0.10000E+01 volume -0.44800E+00 ppm1 3.850 ppm2 0.608 ASSI ( (( segid " " and resid 1531 and name HB1 )) )( (( segid " " and resid 1528 and name HA )) ) 3.300 3.300 0.000 peak 9379 weight 0.10000E+01 volume 0.18650E+01 ppm1 2.017 ppm2 4.008 ASSI ( (( segid " " and resid 1531 and name HB1 )) )( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) OR (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) OR (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) OR (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) ) 5.000 5.000 0.000 peak 9387 weight 0.10000E+01 volume 0.48300E+00 ppm1 2.009 ppm2 1.187 ASSI ( (( segid " " and resid 1531 and name HB2 )) )( (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1531 and name HG2 )) ) 5.000 5.000 0.000 peak 9384 weight 0.10000E+01 volume 0.11220E+01 ppm1 1.936 ppm2 1.386 ASSI ( (( segid " " and resid 1531 and name HB2 )) )( (( segid " " and resid 1528 and name HA )) ) 3.300 3.300 0.000 peak 9378 weight 0.10000E+01 volume 0.15110E+01 ppm1 1.939 ppm2 4.009 ASSI ( (( segid " " and resid 1531 and name HD1 )) )( (( segid " " and resid 1657 and name HA2 )) OR (( segid " " and resid 1657 and name HA1 )) OR (( segid " " and resid 1528 and name HA )) ) 5.000 5.000 0.000 peak 9403 weight 0.10000E+01 volume 0.68700E+00 ppm1 1.655 ppm2 3.993 ASSI ( (( segid " " and resid 1531 and name HD2 )) )( (( segid " " and resid 1657 and name HA2 )) OR (( segid " " and resid 1528 and name HA )) ) 5.000 5.000 0.000 peak 9402 weight 0.10000E+01 volume 0.57500E+00 ppm1 1.586 ppm2 3.978 ASSI ( (( segid " " and resid 1531 and name HE2 )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 5.000 5.000 0.000 peak 9408 weight 0.10000E+01 volume 0.37800E+00 ppm1 2.718 ppm2 0.596 ASSI ( (( segid " " and resid 1531 and name HG2 )) )( (( segid " " and resid 1531 and name HE1 )) ) 5.000 5.000 0.000 peak 9394 weight 0.10000E+01 volume 0.64100E+00 ppm1 1.367 ppm2 2.965 ASSI ( (( segid " " and resid 1533 and name HA )) )( (( segid " " and resid 1536 and name HE2 )) OR (( segid " " and resid 1536 and name HE1 )) ) 5.000 5.000 0.000 peak 9323 weight 0.10000E+01 volume -0.31900E+00 ppm1 3.753 ppm2 3.008 ASSI ( (( segid " " and resid 1534 and name HA )) )( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) ) 5.000 5.000 0.000 peak 7396 weight 0.10000E+01 volume -0.33500E+00 ppm1 3.864 ppm2 0.988 ASSI ( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) )( (( segid " " and resid 1534 and name HA )) OR (( segid " " and resid 1531 and name HA )) ) 2.700 2.700 0.000 peak 9300 weight 0.10000E+01 volume 0.37320E+01 ppm1 1.382 ppm2 3.860 ASSI ( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) OR (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 5.000 5.000 0.000 peak 9310 weight 0.10000E+01 volume 0.12050E+01 ppm1 1.380 ppm2 0.742 ASSI ( (( segid " " and resid 1536 and name HG1 )) )( (( segid " " and resid 1537 and name HD2 )) OR (( segid " " and resid 1537 and name HD1 )) OR (( segid " " and resid 1534 and name HA )) OR (( segid " " and resid 1532 and name HA )) ) 5.000 5.000 0.000 peak 9273 weight 0.10000E+01 volume 0.65600E+00 ppm1 2.054 ppm2 3.859 ASSI ( (( segid " " and resid 1536 and name HG2 )) )( (( segid " " and resid 1539 and name HA )) OR (( segid " " and resid 1537 and name HD1 )) ) 5.000 5.000 0.000 peak 9276 weight 0.10000E+01 volume 0.57000E+00 ppm1 1.668 ppm2 3.908 ASSI ( (( segid " " and resid 1538 and name HB1 )) )( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) ) 5.000 5.000 0.000 peak 9214 weight 0.10000E+01 volume 0.79500E+00 ppm1 2.040 ppm2 0.925 ASSI ( (( segid " " and resid 1538 and name HB2 )) )( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) ) 5.000 5.000 0.000 peak 9215 weight 0.10000E+01 volume 0.89000E+00 ppm1 1.954 ppm2 0.919 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) ) 5.000 5.000 0.000 peak 9206 weight 0.10000E+01 volume 0.14480E+01 ppm1 0.524 ppm2 0.989 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) ) 3.300 3.300 0.000 peak 9205 weight 0.10000E+01 volume 0.19780E+01 ppm1 0.524 ppm2 1.140 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1604 and name HE2 )) OR (( segid " " and resid 1604 and name HE1 )) OR (( segid " " and resid 1536 and name HE2 )) OR (( segid " " and resid 1536 and name HE1 )) ) 6.000 6.000 0.000 peak 9200 weight 0.10000E+01 volume 0.28400E+00 ppm1 0.524 ppm2 3.017 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1541 and name HE1 )) ) 6.000 6.000 0.000 peak 9154 weight 0.10000E+01 volume 0.18600E+00 ppm1 1.641 ppm2 7.167 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1605 and name HA )) OR (( segid " " and resid 1571 and name HA )) ) 3.300 3.300 0.000 peak 7117 weight 0.10000E+01 volume 0.22350E+01 ppm1 1.641 ppm2 4.007 ASSI ( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) )( (( segid " " and resid 1619 and name HE2 )) OR (( segid " " and resid 1619 and name HE1 )) OR (( segid " " and resid 1541 and name HE2 )) ) 6.000 6.000 0.000 peak 9151 weight 0.10000E+01 volume 0.16500E+00 ppm1 1.639 ppm2 6.186 ASSI ( (( segid " " and resid 1541 and name HD1 )) )( (( segid " " and resid 1541 and name HE1 )) ) 5.000 5.000 0.000 peak 9710 weight 0.10000E+01 volume -0.30600E+00 ppm1 6.756 ppm2 7.140 ASSI ( (( segid " " and resid 1541 and name HE1 )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1582 and name HZ )) OR (( segid " " and resid 1543 and name HD2 )) ) 5.000 5.000 0.000 peak 9708 weight 0.10000E+01 volume 0.52100E+00 ppm1 7.150 ppm2 6.878 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1543 and name HB2 )) OR (( segid " " and resid 1531 and name HE1 )) ) 5.000 5.000 0.000 peak 8280 weight 0.10000E+01 volume 0.35000E+00 ppm1 1.412 ppm2 2.991 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1535 and name HB2 )) OR (( segid " " and resid 1531 and name HE2 )) OR (( segid " " and resid 1530 and name HA )) ) 5.000 5.000 0.000 peak 8281 weight 0.10000E+01 volume 0.13650E+01 ppm1 1.414 ppm2 2.721 ASSI ( (( segid " " and resid 1543 and name HA )) )( (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 9115 weight 0.10000E+01 volume -0.39900E+00 ppm1 5.740 ppm2 6.684 ASSI ( (( segid " " and resid 1543 and name HB2 )) )( (( segid " " and resid 1567 and name HN )) OR (( segid " " and resid 1544 and name HN )) ) 6.000 6.000 0.000 peak 9113 weight 0.10000E+01 volume 0.29700E+00 ppm1 2.998 ppm2 8.560 ASSI ( (( segid " " and resid 1544 and name HA )) )( (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1544 and name HD1 )) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) ) 5.000 5.000 0.000 peak 9060 weight 0.10000E+01 volume -0.74600E+00 ppm1 5.665 ppm2 0.784 ASSI ( (( segid " " and resid 1544 and name HA )) )( (( segid " " and resid 1601 and name HN )) OR (( segid " " and resid 1545 and name HN )) ) 5.000 5.000 0.000 peak 7469 weight 0.10000E+01 volume -0.12270E+01 ppm1 5.665 ppm2 9.379 ASSI ( (( segid " " and resid 1544 and name HD2 )) )( (( segid " " and resid 1600 and name HB2 )) OR (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) ) 5.000 5.000 0.000 peak 8426 weight 0.10000E+01 volume 0.61300E+00 ppm1 0.381 ppm2 2.109 ASSI ( (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) )( (( segid " " and resid 1600 and name HA )) OR (( segid " " and resid 1545 and name HA )) OR (( segid " " and resid 1544 and name HA )) ) 5.000 5.000 0.000 peak 9077 weight 0.10000E+01 volume 0.51300E+00 ppm1 0.788 ppm2 5.642 ASSI ( (( segid " " and resid 1545 and name HB )) )( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) OR (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 6.000 6.000 0.000 peak 9019 weight 0.10000E+01 volume 0.16200E+00 ppm1 2.283 ppm2 0.643 ASSI ( (( segid " " and resid 1545 and name HB )) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 6.000 6.000 0.000 peak 9024 weight 0.10000E+01 volume 0.22300E+00 ppm1 2.275 ppm2 7.165 ASSI ( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) )( (( segid " " and resid 1567 and name HN )) OR (( segid " " and resid 1546 and name HN )) OR (( segid " " and resid 1544 and name HN )) ) 5.000 5.000 0.000 peak 9042 weight 0.10000E+01 volume 0.61000E+00 ppm1 1.146 ppm2 8.545 ASSI ( (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1546 and name HN )) ) 5.000 5.000 0.000 peak 8625 weight 0.10000E+01 volume -0.61400E+00 ppm1 5.351 ppm2 8.557 ASSI ( (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1598 and name HG1 )) OR (( segid " " and resid 1598 and name HB1 )) ) 5.000 5.000 0.000 peak 8975 weight 0.10000E+01 volume -0.51700E+00 ppm1 5.348 ppm2 2.596 ASSI ( (( segid " " and resid 1546 and name HB1 )) )( (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1564 and name HB2 )) OR (( segid " " and resid 1564 and name HB1 )) OR (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) OR (( segid " " and resid 1547 and name HG12)) ) 5.000 5.000 0.000 peak 8990 weight 0.10000E+01 volume -0.57000E+00 ppm1 3.770 ppm2 1.266 ASSI ( (( segid " " and resid 1546 and name HB2 )) )( (( segid " " and resid 1564 and name HB2 )) OR (( segid " " and resid 1564 and name HB1 )) OR (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) OR (( segid " " and resid 1547 and name HG12)) ) 5.000 5.000 0.000 peak 8989 weight 0.10000E+01 volume -0.38000E+00 ppm1 3.664 ppm2 1.264 ASSI ( (( segid " " and resid 1546 and name HB2 )) )( (( segid " " and resid 1601 and name HG12)) OR (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) ) 5.000 5.000 0.000 peak 8988 weight 0.10000E+01 volume -0.33700E+00 ppm1 3.674 ppm2 1.061 ASSI ( (( segid " " and resid 1546 and name HB2 )) )( (( segid " " and resid 1598 and name HA )) ) 5.000 5.000 0.000 peak 8998 weight 0.10000E+01 volume -0.30500E+00 ppm1 3.664 ppm2 5.743 ASSI ( (( segid " " and resid 1547 and name HA )) )( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) ) 5.000 5.000 0.000 peak 8887 weight 0.10000E+01 volume -0.10090E+01 ppm1 4.536 ppm2 1.390 ASSI ( (( segid " " and resid 1547 and name HB )) )( (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 8902 weight 0.10000E+01 volume 0.30000E+00 ppm1 2.862 ppm2 6.780 ASSI ( (( segid " " and resid 1547 and name HB )) )( (( segid " " and resid 1597 and name HB1 )) OR (( segid " " and resid 1547 and name HG11)) ) 5.000 5.000 0.000 peak 8898 weight 0.10000E+01 volume 0.73200E+00 ppm1 2.866 ppm2 2.202 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1601 and name HB )) OR (( segid " " and resid 1595 and name HB2 )) OR (( segid " " and resid 1580 and name HB )) OR (( segid " " and resid 1560 and name HD2 )) OR (( segid " " and resid 1560 and name HD1 )) OR (( segid " " and resid 1558 and name HB1 )) OR (( segid " " and resid 1550 and name HB )) ) 5.000 5.000 0.000 peak 8963 weight 0.10000E+01 volume 0.44000E+00 ppm1 0.604 ppm2 1.683 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1601 and name HG11)) OR (( segid " " and resid 1564 and name HG )) OR (( segid " " and resid 1558 and name HB1 )) OR (( segid " " and resid 1550 and name HG11)) ) 5.000 5.000 0.000 peak 8964 weight 0.10000E+01 volume 0.36600E+00 ppm1 0.605 ppm2 1.537 ASSI ( (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) )( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) OR (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 3.300 3.300 0.000 peak 8968 weight 0.10000E+01 volume 0.27270E+01 ppm1 0.606 ppm2 0.890 ASSI ( (( segid " " and resid 1547 and name HG11)) )( (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 7572 weight 0.10000E+01 volume 0.77000E+00 ppm1 2.207 ppm2 6.778 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1550 and name HA )) OR (( segid " " and resid 1549 and name HA )) ) 5.000 5.000 0.000 peak 8933 weight 0.10000E+01 volume 0.46000E+00 ppm1 1.034 ppm2 4.672 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) OR (( segid " " and resid 1560 and name HG2 )) OR (( segid " " and resid 1560 and name HG1 )) ) 3.300 3.300 0.000 peak 8921 weight 0.10000E+01 volume 0.22100E+01 ppm1 1.029 ppm2 1.384 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 7193 weight 0.10000E+01 volume 0.85600E+00 ppm1 1.030 ppm2 6.781 ASSI ( (( segid " " and resid 1549 and name HA )) )( (( segid " " and resid 1595 and name HE2 )) OR (( segid " " and resid 1595 and name HE1 )) ) 5.000 5.000 0.000 peak 8865 weight 0.10000E+01 volume -0.43700E+00 ppm1 4.686 ppm2 3.117 ASSI ( (( segid " " and resid 1549 and name HB2 )) OR (( segid " " and resid 1549 and name HB1 )) )( (( segid " " and resid 1581 and name HA )) OR (( segid " " and resid 1559 and name HA )) ) 5.000 5.000 0.000 peak 8868 weight 0.10000E+01 volume -0.40900E+00 ppm1 3.883 ppm2 5.345 ASSI ( (( segid " " and resid 1549 and name HB2 )) OR (( segid " " and resid 1549 and name HB1 )) )( (( segid " " and resid 1560 and name HG2 )) OR (( segid " " and resid 1560 and name HG1 )) ) 5.000 5.000 0.000 peak 3855 weight 0.10000E+01 volume -0.11650E+01 ppm1 3.879 ppm2 1.434 ASSI ( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) )( (( segid " " and resid 1595 and name HD2 )) OR (( segid " " and resid 1595 and name HD1 )) OR (( segid " " and resid 1595 and name HB1 )) OR (( segid " " and resid 1560 and name HB2 )) ) 3.300 3.300 0.000 peak 8858 weight 0.10000E+01 volume 0.15870E+01 ppm1 1.101 ppm2 1.831 ASSI ( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) )( (( segid " " and resid 1550 and name HA )) OR (( segid " " and resid 1549 and name HA )) ) 5.000 5.000 0.000 peak 8862 weight 0.10000E+01 volume 0.68600E+00 ppm1 1.103 ppm2 4.701 ASSI ( (( segid " " and resid 1551 and name HA )) )( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) OR (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) ) 5.000 5.000 0.000 peak 8831 weight 0.10000E+01 volume -0.49000E+00 ppm1 4.609 ppm2 0.936 ASSI ( (( segid " " and resid 1551 and name HB )) )( (( segid " " and resid 1558 and name HN )) ) 5.000 5.000 0.000 peak 8833 weight 0.10000E+01 volume -0.53800E+00 ppm1 3.952 ppm2 8.916 ASSI ( (( segid " " and resid 1553 and name HA )) )( (( segid " " and resid 1554 and name HA )) OR (( segid " " and resid 1552 and name HA )) ) 5.000 5.000 0.000 peak 6395 weight 0.10000E+01 volume -0.57800E+00 ppm1 4.633 ppm2 4.256 ASSI ( (( segid " " and resid 1553 and name HA )) )( (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) OR (( segid " " and resid 1553 and name HB2 )) OR (( segid " " and resid 1553 and name HB1 )) ) 2.700 2.700 0.000 peak 6394 weight 0.10000E+01 volume -0.45350E+01 ppm1 4.638 ppm2 2.152 ASSI ( (( segid " " and resid 1555 and name HA )) )( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) OR (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG11)) ) 3.300 3.300 0.000 peak 8777 weight 0.10000E+01 volume -0.25340E+01 ppm1 4.100 ppm2 0.890 ASSI ( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) )( (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 6.000 6.000 0.000 peak 8800 weight 0.10000E+01 volume 0.27800E+00 ppm1 0.519 ppm2 7.177 ASSI ( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) )( (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) OR (( segid " " and resid 1556 and name HB1 )) OR (( segid " " and resid 1554 and name HB2 )) OR (( segid " " and resid 1554 and name HB1 )) ) 5.000 5.000 0.000 peak 8796 weight 0.10000E+01 volume 0.48500E+00 ppm1 0.515 ppm2 2.970 ASSI ( (( segid " " and resid 1556 and name HA )) )( (( segid " " and resid 1621 and name HB2 )) OR (( segid " " and resid 1585 and name HG2 )) OR (( segid " " and resid 1583 and name HG11)) OR (( segid " " and resid 1583 and name HB )) OR (( segid " " and resid 1558 and name HD2 )) OR (( segid " " and resid 1558 and name HD1 )) ) 5.000 5.000 0.000 peak 8701 weight 0.10000E+01 volume -0.53900E+00 ppm1 5.437 ppm2 1.486 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1558 and name HG1 )) OR (( segid " " and resid 1550 and name HG12)) ) 5.000 5.000 0.000 peak 8755 weight 0.10000E+01 volume 0.71100E+00 ppm1 0.394 ppm2 1.286 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1585 and name HA )) OR (( segid " " and resid 1550 and name HA )) OR (( segid " " and resid 1549 and name HA )) ) 6.000 6.000 0.000 peak 8737 weight 0.10000E+01 volume 0.26100E+00 ppm1 0.395 ppm2 4.673 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1558 and name HA )) ) 6.000 6.000 0.000 peak 8736 weight 0.10000E+01 volume 0.19900E+00 ppm1 0.393 ppm2 5.197 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) OR (( segid " " and resid 1558 and name HG2 )) OR (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) ) 5.000 5.000 0.000 peak 8752 weight 0.10000E+01 volume 0.10530E+01 ppm1 0.393 ppm2 1.088 ASSI ( (( segid " " and resid 1558 and name HE1 )) )( (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 8768 weight 0.10000E+01 volume 0.79100E+00 ppm1 2.721 ppm2 1.137 ASSI ( (( segid " " and resid 1558 and name HE2 )) )( (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 8769 weight 0.10000E+01 volume 0.83900E+00 ppm1 2.666 ppm2 1.138 ASSI ( (( segid " " and resid 1559 and name HB1 )) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 5.000 5.000 0.000 peak 8639 weight 0.10000E+01 volume 0.30900E+00 ppm1 3.105 ppm2 7.177 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1595 and name HB2 )) OR (( segid " " and resid 1580 and name HB )) OR (( segid " " and resid 1560 and name HD2 )) OR (( segid " " and resid 1560 and name HD1 )) OR (( segid " " and resid 1558 and name HB1 )) OR (( segid " " and resid 1550 and name HB )) ) 5.000 5.000 0.000 peak 8648 weight 0.10000E+01 volume -0.10240E+01 ppm1 6.903 ppm2 1.681 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1593 and name HB2 )) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 3.300 3.300 0.000 peak 8652 weight 0.10000E+01 volume -0.15500E+01 ppm1 6.906 ppm2 0.633 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) ) 5.000 5.000 0.000 peak 8653 weight 0.10000E+01 volume -0.14910E+01 ppm1 6.910 ppm2 0.738 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1583 and name HG12)) OR (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) ) 5.000 5.000 0.000 peak 8651 weight 0.10000E+01 volume -0.70400E+00 ppm1 6.905 ppm2 0.848 ASSI ( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) )( (( segid " " and resid 1559 and name HB2 )) ) 5.000 5.000 0.000 peak 8657 weight 0.10000E+01 volume 0.59100E+00 ppm1 6.672 ppm2 2.919 ASSI ( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) )( (( segid " " and resid 1546 and name HN )) ) 5.000 5.000 0.000 peak 8575 weight 0.10000E+01 volume 0.60500E+00 ppm1 1.404 ppm2 8.549 ASSI ( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1582 and name HZ )) OR (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) OR (( segid " " and resid 1543 and name HD2 )) OR (( segid " " and resid 1543 and name HD1 )) ) 5.000 5.000 0.000 peak 8577 weight 0.10000E+01 volume 0.38000E+00 ppm1 1.408 ppm2 6.872 ASSI ( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) )( (( segid " " and resid 1582 and name HN )) OR (( segid " " and resid 1580 and name HN )) OR (( segid " " and resid 1561 and name HN )) ) 5.000 5.000 0.000 peak 8573 weight 0.10000E+01 volume 0.11950E+01 ppm1 1.405 ppm2 9.353 ASSI ( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) )( (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 2.700 2.700 0.000 peak 8581 weight 0.10000E+01 volume 0.31350E+01 ppm1 1.407 ppm2 0.598 ASSI ( (( segid " " and resid 1563 and name HB2 )) )( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) OR (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD11)) ) 5.000 5.000 0.000 peak 8492 weight 0.10000E+01 volume 0.44900E+00 ppm1 1.053 ppm2 0.646 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1582 and name HZ )) OR (( segid " " and resid 1543 and name HD2 )) OR (( segid " " and resid 1543 and name HD1 )) ) 5.000 5.000 0.000 peak 8498 weight 0.10000E+01 volume 0.35100E+00 ppm1 0.126 ppm2 6.874 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1580 and name HA )) OR (( segid " " and resid 1569 and name HA )) OR (( segid " " and resid 1567 and name HA )) ) 6.000 6.000 0.000 peak 8504 weight 0.10000E+01 volume 0.29200E+00 ppm1 0.128 ppm2 4.801 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1564 and name HA )) ) 5.000 5.000 0.000 peak 8501 weight 0.10000E+01 volume 0.13790E+01 ppm1 0.125 ppm2 4.303 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) OR (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) )( (( segid " " and resid 1598 and name HA )) OR (( segid " " and resid 1545 and name HA )) ) 5.000 5.000 0.000 peak 8454 weight 0.10000E+01 volume 0.54100E+00 ppm1 0.677 ppm2 5.717 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) OR (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) )( (( segid " " and resid 1546 and name HN )) OR (( segid " " and resid 1544 and name HN )) ) 5.000 5.000 0.000 peak 8456 weight 0.10000E+01 volume 0.35100E+00 ppm1 0.676 ppm2 8.558 ASSI ( (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) )( (( segid " " and resid 1546 and name HA )) ) 5.000 5.000 0.000 peak 8453 weight 0.10000E+01 volume 0.35400E+00 ppm1 0.673 ppm2 5.344 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) )( (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) ) 2.700 2.700 0.000 peak 8458 weight 0.10000E+01 volume 0.38410E+01 ppm1 0.753 ppm2 1.039 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) )( (( segid " " and resid 1562 and name HA )) ) 6.000 6.000 0.000 peak 8469 weight 0.10000E+01 volume 0.13800E+00 ppm1 0.754 ppm2 4.751 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) )( (( segid " " and resid 1562 and name HB )) OR (( segid " " and resid 1546 and name HB1 )) ) 5.000 5.000 0.000 peak 8465 weight 0.10000E+01 volume 0.92400E+00 ppm1 0.752 ppm2 3.811 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) )( (( segid " " and resid 1577 and name HA )) OR (( segid " " and resid 1563 and name HA )) ) 5.000 5.000 0.000 peak 8467 weight 0.10000E+01 volume 0.77000E+00 ppm1 0.752 ppm2 4.158 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) )( (( segid " " and resid 1546 and name HN )) OR (( segid " " and resid 1544 and name HN )) ) 6.000 6.000 0.000 peak 8471 weight 0.10000E+01 volume 0.18600E+00 ppm1 0.752 ppm2 8.558 ASSI ( (( segid " " and resid 1565 and name HA )) )( (( segid " " and resid 1577 and name HB2 )) ) 5.000 5.000 0.000 peak 8405 weight 0.10000E+01 volume -0.11440E+01 ppm1 4.580 ppm2 2.870 ASSI ( (( segid " " and resid 1565 and name HA )) )( (( segid " " and resid 1576 and name HG2 )) OR (( segid " " and resid 1564 and name HB2 )) ) 5.000 5.000 0.000 peak 8407 weight 0.10000E+01 volume -0.87500E+00 ppm1 4.580 ppm2 1.223 ASSI ( (( segid " " and resid 1565 and name HA )) )( (( segid " " and resid 1567 and name HN )) OR (( segid " " and resid 1546 and name HN )) OR (( segid " " and resid 1544 and name HN )) ) 6.000 6.000 0.000 peak 8401 weight 0.10000E+01 volume -0.23600E+00 ppm1 4.579 ppm2 8.559 ASSI ( (( segid " " and resid 1565 and name HA )) )( (( segid " " and resid 1577 and name HB1 )) OR (( segid " " and resid 1576 and name HE2 )) OR (( segid " " and resid 1576 and name HE1 )) OR (( segid " " and resid 1543 and name HB2 )) ) 5.000 5.000 0.000 peak 8403 weight 0.10000E+01 volume -0.10650E+01 ppm1 4.576 ppm2 3.018 ASSI ( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) )( (( segid " " and resid 1544 and name HB2 )) ) 5.000 5.000 0.000 peak 8421 weight 0.10000E+01 volume 0.12850E+01 ppm1 2.125 ppm2 1.435 ASSI ( (( segid " " and resid 1566 and name HA )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 6.000 6.000 0.000 peak 8354 weight 0.10000E+01 volume -0.26200E+00 ppm1 4.165 ppm2 0.148 ASSI ( (( segid " " and resid 1566 and name HA )) )( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) ) 5.000 5.000 0.000 peak 8353 weight 0.10000E+01 volume -0.68700E+00 ppm1 4.167 ppm2 0.649 ASSI ( (( segid " " and resid 1566 and name HB )) )( (( segid " " and resid 1574 and name HB1 )) OR (( segid " " and resid 1566 and name HG11)) ) 3.300 3.300 0.000 peak 8362 weight 0.10000E+01 volume 0.24710E+01 ppm1 1.600 ppm2 1.088 ASSI ( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) )( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) ) 3.300 3.300 0.000 peak 8390 weight 0.10000E+01 volume 0.22430E+01 ppm1 0.963 ppm2 0.649 ASSI ( (( segid " " and resid 1567 and name HA )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) ) 5.000 5.000 0.000 peak 6466 weight 0.10000E+01 volume -0.59700E+00 ppm1 4.825 ppm2 0.593 ASSI ( (( segid " " and resid 1567 and name HA )) )( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) ) 6.000 6.000 0.000 peak 8323 weight 0.10000E+01 volume -0.22900E+00 ppm1 4.823 ppm2 7.324 ASSI ( (( segid " " and resid 1567 and name HB1 )) )( (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 5.000 5.000 0.000 peak 6472 weight 0.10000E+01 volume 0.80200E+00 ppm1 3.215 ppm2 0.590 ASSI ( (( segid " " and resid 1567 and name HB2 )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 5.000 5.000 0.000 peak 6473 weight 0.10000E+01 volume 0.40500E+00 ppm1 2.606 ppm2 0.591 ASSI ( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) )( (( segid " " and resid 1652 and name HB2 )) OR (( segid " " and resid 1650 and name HA )) OR (( segid " " and resid 1531 and name HE2 )) ) 5.000 5.000 0.000 peak 8333 weight 0.10000E+01 volume -0.41300E+00 ppm1 6.655 ppm2 2.749 ASSI ( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) )( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) OR (( segid " " and resid 1564 and name HB1 )) ) 5.000 5.000 0.000 peak 8336 weight 0.10000E+01 volume -0.96100E+00 ppm1 6.664 ppm2 1.284 ASSI ( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 5.000 5.000 0.000 peak 6463 weight 0.10000E+01 volume -0.75700E+00 ppm1 6.660 ppm2 0.592 ASSI ( (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) )( (( segid " " and resid 1654 and name HA )) OR (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1565 and name HA )) ) 5.000 5.000 0.000 peak 8344 weight 0.10000E+01 volume 0.30400E+00 ppm1 6.715 ppm2 4.551 ASSI ( (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) )( (( segid " " and resid 1544 and name HE1 )) OR (( segid " " and resid 1544 and name HB2 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) ) 5.000 5.000 0.000 peak 8346 weight 0.10000E+01 volume 0.12570E+01 ppm1 6.711 ppm2 1.434 ASSI ( (( segid " " and resid 1568 and name HB1 )) )( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) OR (( segid " " and resid 1568 and name HD2 )) ) 6.000 6.000 0.000 peak 8300 weight 0.10000E+01 volume 0.27700E+00 ppm1 1.733 ppm2 1.188 ASSI ( (( segid " " and resid 1568 and name HB2 )) )( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) OR (( segid " " and resid 1568 and name HD2 )) ) 6.000 6.000 0.000 peak 8299 weight 0.10000E+01 volume 0.21100E+00 ppm1 1.571 ppm2 1.189 ASSI ( (( segid " " and resid 1568 and name HB2 )) )( (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) ) 5.000 5.000 0.000 peak 8296 weight 0.10000E+01 volume 0.11270E+01 ppm1 1.565 ppm2 1.423 ASSI ( (( segid " " and resid 1569 and name HA )) )( (( segid " " and resid 1575 and name HA )) OR (( segid " " and resid 1574 and name HA )) ) 5.000 5.000 0.000 peak 8251 weight 0.10000E+01 volume -0.11030E+01 ppm1 4.831 ppm2 4.453 ASSI ( (( segid " " and resid 1570 and name HA1 )) )( (( segid " " and resid 1575 and name HA )) OR (( segid " " and resid 1574 and name HA )) OR (( segid " " and resid 1540 and name HA )) ) 5.000 5.000 0.000 peak 8249 weight 0.10000E+01 volume 0.48200E+00 ppm1 4.682 ppm2 4.404 ASSI ( (( segid " " and resid 1573 and name HG13)) OR (( segid " " and resid 1573 and name HG12)) OR (( segid " " and resid 1573 and name HG11)) )( (( segid " " and resid 1575 and name HG2 )) OR (( segid " " and resid 1575 and name HG1 )) ) 5.000 5.000 0.000 peak 8221 weight 0.10000E+01 volume 0.94900E+00 ppm1 1.034 ppm2 2.178 ASSI ( (( segid " " and resid 1573 and name HG13)) OR (( segid " " and resid 1573 and name HG12)) OR (( segid " " and resid 1573 and name HG11)) )( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) OR (( segid " " and resid 1608 and name HE21)) ) 5.000 5.000 0.000 peak 7192 weight 0.10000E+01 volume 0.43900E+00 ppm1 1.034 ppm2 6.804 ASSI ( (( segid " " and resid 1574 and name HA )) )( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) OR (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB2 )) OR (( segid " " and resid 1572 and name HB1 )) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) ) 6.000 6.000 0.000 peak 8183 weight 0.10000E+01 volume -0.21100E+00 ppm1 4.447 ppm2 0.643 ASSI ( (( segid " " and resid 1574 and name HA )) )( (( segid " " and resid 1573 and name HG23)) OR (( segid " " and resid 1573 and name HG22)) OR (( segid " " and resid 1573 and name HG21)) OR (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) OR (( segid " " and resid 1563 and name HG )) ) 5.000 5.000 0.000 peak 8181 weight 0.10000E+01 volume -0.36400E+00 ppm1 4.446 ppm2 0.895 ASSI ( (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1574 and name HB1 )) )( (( segid " " and resid 1577 and name HA )) OR (( segid " " and resid 1566 and name HA )) OR (( segid " " and resid 1563 and name HA )) ) 5.000 5.000 0.000 peak 8192 weight 0.10000E+01 volume 0.65100E+00 ppm1 1.098 ppm2 4.156 ASSI ( (( segid " " and resid 1576 and name HA )) )( (( segid " " and resid 1563 and name HB1 )) ) 5.000 5.000 0.000 peak 8132 weight 0.10000E+01 volume -0.54900E+00 ppm1 3.556 ppm2 1.832 ASSI ( (( segid " " and resid 1576 and name HA )) )( (( segid " " and resid 1575 and name HG2 )) OR (( segid " " and resid 1575 and name HG1 )) OR (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) ) 5.000 5.000 0.000 peak 8131 weight 0.10000E+01 volume -0.31400E+00 ppm1 3.559 ppm2 2.128 ASSI ( (( segid " " and resid 1577 and name HA )) )( (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) ) 3.300 3.300 0.000 peak 8121 weight 0.10000E+01 volume -0.21490E+01 ppm1 4.161 ppm2 1.059 ASSI ( (( segid " " and resid 1578 and name HA )) )( (( segid " " and resid 1580 and name HB )) OR (( segid " " and resid 1575 and name HB2 )) ) 6.000 6.000 0.000 peak 8103 weight 0.10000E+01 volume -0.28100E+00 ppm1 4.530 ppm2 1.740 ASSI ( (( segid " " and resid 1578 and name HB1 )) )( (( segid " " and resid 1575 and name HB2 )) OR (( segid " " and resid 1563 and name HB1 )) ) 5.000 5.000 0.000 peak 8112 weight 0.10000E+01 volume -0.39700E+00 ppm1 4.002 ppm2 1.754 ASSI ( (( segid " " and resid 1579 and name HG1 )) )( (( segid " " and resid 1560 and name HD2 )) OR (( segid " " and resid 1560 and name HD1 )) ) 5.000 5.000 0.000 peak 8090 weight 0.10000E+01 volume 0.39000E+00 ppm1 2.239 ppm2 1.648 ASSI ( (( segid " " and resid 1579 and name HG2 )) )( (( segid " " and resid 1560 and name HD2 )) OR (( segid " " and resid 1560 and name HD1 )) ) 5.000 5.000 0.000 peak 8091 weight 0.10000E+01 volume 0.43900E+00 ppm1 1.998 ppm2 1.639 ASSI ( (( segid " " and resid 1580 and name HA )) )( (( segid " " and resid 1618 and name HG12)) OR (( segid " " and resid 1580 and name HG11)) ) 5.000 5.000 0.000 peak 8035 weight 0.10000E+01 volume -0.56700E+00 ppm1 4.804 ppm2 0.969 ASSI ( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) )( (( segid " " and resid 1563 and name HB1 )) OR (( segid " " and resid 1560 and name HB2 )) OR (( segid " " and resid 1560 and name HB1 )) ) 5.000 5.000 0.000 peak 8058 weight 0.10000E+01 volume 0.40100E+00 ppm1 0.195 ppm2 1.842 ASSI ( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) )( (( segid " " and resid 1580 and name HG12)) ) 3.300 3.300 0.000 peak 8066 weight 0.10000E+01 volume 0.17840E+01 ppm1 0.199 ppm2 0.815 ASSI ( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) )( (( segid " " and resid 1619 and name HB1 )) OR (( segid " " and resid 1582 and name HB2 )) OR (( segid " " and resid 1543 and name HB2 )) ) 5.000 5.000 0.000 peak 8056 weight 0.10000E+01 volume 0.32000E+00 ppm1 0.194 ppm2 3.018 ASSI ( (( segid " " and resid 1581 and name HB )) )( (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 7149 weight 0.10000E+01 volume -0.11590E+01 ppm1 3.980 ppm2 0.708 ASSI ( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) )( (( segid " " and resid 1619 and name HB2 )) OR (( segid " " and resid 1617 and name HB1 )) OR (( segid " " and resid 1558 and name HE2 )) OR (( segid " " and resid 1558 and name HE1 )) ) 5.000 5.000 0.000 peak 8195 weight 0.10000E+01 volume 0.89100E+00 ppm1 1.102 ppm2 2.674 ASSI ( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) )( (( segid " " and resid 1618 and name HG12)) OR (( segid " " and resid 1580 and name HG11)) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 8009 weight 0.10000E+01 volume -0.70200E+00 ppm1 7.167 ppm2 0.941 ASSI ( (( segid " " and resid 1583 and name HA )) )( (( segid " " and resid 1583 and name HG11)) OR (( segid " " and resid 1583 and name HB )) ) 5.000 5.000 0.000 peak 7917 weight 0.10000E+01 volume -0.10460E+01 ppm1 5.785 ppm2 1.439 ASSI ( (( segid " " and resid 1583 and name HB )) )( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) OR (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 7925 weight 0.10000E+01 volume 0.37600E+00 ppm1 1.433 ppm2 1.111 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 5.000 5.000 0.000 peak 7989 weight 0.10000E+01 volume 0.34100E+00 ppm1 0.217 ppm2 7.218 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1556 and name HE2 )) OR (( segid " " and resid 1556 and name HE1 )) ) 5.000 5.000 0.000 peak 7988 weight 0.10000E+01 volume 0.40700E+00 ppm1 0.224 ppm2 7.324 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1618 and name HG11)) ) 5.000 5.000 0.000 peak 7973 weight 0.10000E+01 volume 0.13530E+01 ppm1 0.219 ppm2 1.336 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1621 and name HA )) OR (( segid " " and resid 1620 and name HA )) ) 6.000 6.000 0.000 peak 7983 weight 0.10000E+01 volume 0.20500E+00 ppm1 0.220 ppm2 4.998 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1621 and name HG )) OR (( segid " " and resid 1620 and name HG2 )) OR (( segid " " and resid 1620 and name HB2 )) OR (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) OR (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) OR (( segid " " and resid 1555 and name HB )) ) 5.000 5.000 0.000 peak 7976 weight 0.10000E+01 volume 0.38200E+00 ppm1 0.220 ppm2 2.027 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1619 and name HB1 )) OR (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) OR (( segid " " and resid 1582 and name HB2 )) OR (( segid " " and resid 1556 and name HB1 )) ) 5.000 5.000 0.000 peak 7979 weight 0.10000E+01 volume 0.44900E+00 ppm1 0.220 ppm2 3.015 ASSI ( (( segid " " and resid 1583 and name HG12)) )( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) OR (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 7940 weight 0.10000E+01 volume 0.69000E+00 ppm1 0.838 ppm2 1.088 ASSI ( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 6.000 6.000 0.000 peak 7954 weight 0.10000E+01 volume 0.23200E+00 ppm1 0.712 ppm2 7.200 ASSI ( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) )( (( segid " " and resid 1558 and name HA )) ) 5.000 5.000 0.000 peak 7951 weight 0.10000E+01 volume 0.49200E+00 ppm1 0.709 ppm2 5.197 ASSI ( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) )( (( segid " " and resid 1619 and name HB1 )) OR (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) OR (( segid " " and resid 1584 and name HE2 )) OR (( segid " " and resid 1582 and name HB2 )) OR (( segid " " and resid 1556 and name HB1 )) ) 5.000 5.000 0.000 peak 7949 weight 0.10000E+01 volume 0.32400E+00 ppm1 0.708 ppm2 3.019 ASSI ( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) )( (( segid " " and resid 1619 and name HB2 )) OR (( segid " " and resid 1558 and name HE2 )) OR (( segid " " and resid 1558 and name HE1 )) ) 5.000 5.000 0.000 peak 7948 weight 0.10000E+01 volume 0.54300E+00 ppm1 0.713 ppm2 2.673 ASSI ( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) )( (( segid " " and resid 1581 and name HB )) OR (( segid " " and resid 1551 and name HB )) ) 6.000 6.000 0.000 peak 7950 weight 0.10000E+01 volume 0.17700E+00 ppm1 0.719 ppm2 3.960 ASSI ( (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) )( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) ) 5.000 5.000 0.000 peak 7886 weight 0.10000E+01 volume 0.40300E+00 ppm1 2.062 ppm2 6.680 ASSI ( (( segid " " and resid 1584 and name HE1 )) )( (( segid " " and resid 1621 and name HB1 )) OR (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) OR (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) ) 5.000 5.000 0.000 peak 7903 weight 0.10000E+01 volume 0.88900E+00 ppm1 3.180 ppm2 2.073 ASSI ( (( segid " " and resid 1584 and name HE1 )) )( (( segid " " and resid 1621 and name HG )) OR (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) OR (( segid " " and resid 1552 and name HB )) OR (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) ) 5.000 5.000 0.000 peak 7909 weight 0.10000E+01 volume 0.66000E+00 ppm1 3.178 ppm2 1.977 ASSI ( (( segid " " and resid 1585 and name HD2 )) OR (( segid " " and resid 1585 and name HD1 )) )( (( segid " " and resid 1556 and name HE2 )) OR (( segid " " and resid 1556 and name HE1 )) ) 5.000 5.000 0.000 peak 8162 weight 0.10000E+01 volume 0.50000E+00 ppm1 1.686 ppm2 7.322 ASSI ( (( segid " " and resid 1585 and name HG1 )) )( (( segid " " and resid 1556 and name HE2 )) OR (( segid " " and resid 1556 and name HE1 )) ) 5.000 5.000 0.000 peak 7866 weight 0.10000E+01 volume 0.48500E+00 ppm1 1.757 ppm2 7.325 ASSI ( (( segid " " and resid 1588 and name HB1 )) )( (( segid " " and resid 1592 and name HB2 )) OR (( segid " " and resid 1592 and name HB1 )) OR (( segid " " and resid 1586 and name HB )) OR (( segid " " and resid 1584 and name HG1 )) OR (( segid " " and resid 1517 and name HB2 )) OR (( segid " " and resid 1516 and name HB2 )) ) 6.000 6.000 0.000 peak 7831 weight 0.10000E+01 volume 0.21400E+00 ppm1 3.568 ppm2 1.829 ASSI ( (( segid " " and resid 1588 and name HB2 )) )( (( segid " " and resid 1621 and name HG )) OR (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) OR (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) ) 5.000 5.000 0.000 peak 7828 weight 0.10000E+01 volume 0.55400E+00 ppm1 3.037 ppm2 1.980 ASSI ( (( segid " " and resid 1588 and name HB2 )) )( (( segid " " and resid 1586 and name HB )) OR (( segid " " and resid 1585 and name HG1 )) OR (( segid " " and resid 1584 and name HG1 )) ) 5.000 5.000 0.000 peak 7829 weight 0.10000E+01 volume 0.42300E+00 ppm1 3.037 ppm2 1.802 ASSI ( (( segid " " and resid 1590 and name HB1 )) )( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) OR (( segid " " and resid 1516 and name HB1 )) ) 5.000 5.000 0.000 peak 7806 weight 0.10000E+01 volume 0.39700E+00 ppm1 3.018 ppm2 1.930 ASSI ( (( segid " " and resid 1590 and name HB2 )) )( (( segid " " and resid 1517 and name HE3 )) OR (( segid " " and resid 1517 and name HE2 )) OR (( segid " " and resid 1517 and name HE1 )) OR (( segid " " and resid 1517 and name HB1 )) OR (( segid " " and resid 1516 and name HB1 )) ) 6.000 6.000 0.000 peak 7805 weight 0.10000E+01 volume 0.27400E+00 ppm1 2.728 ppm2 1.952 ASSI ( (( segid " " and resid 1590 and name HB2 )) )( (( segid " " and resid 1516 and name HG2 )) OR (( segid " " and resid 1516 and name HG1 )) ) 6.000 6.000 0.000 peak 7804 weight 0.10000E+01 volume 0.22500E+00 ppm1 2.720 ppm2 2.186 ASSI ( (( segid " " and resid 1593 and name HA )) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 7692 weight 0.10000E+01 volume -0.81900E+00 ppm1 3.959 ppm2 0.863 ASSI ( (( segid " " and resid 1593 and name HB1 )) )( (( segid " " and resid 1595 and name HG1 )) OR (( segid " " and resid 1550 and name HG12)) OR (( segid " " and resid 1547 and name HG12)) ) 6.000 6.000 0.000 peak 7705 weight 0.10000E+01 volume 0.20000E+00 ppm1 0.839 ppm2 1.286 ASSI ( (( segid " " and resid 1593 and name HB2 )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) OR (( segid " " and resid 1550 and name HG12)) OR (( segid " " and resid 1547 and name HG12)) ) 6.000 6.000 0.000 peak 7704 weight 0.10000E+01 volume 0.26800E+00 ppm1 0.631 ppm2 1.289 ASSI ( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1593 and name HB1 )) ) 3.300 3.300 0.000 peak 7735 weight 0.10000E+01 volume 0.21370E+01 ppm1 -0.263 ppm2 0.841 ASSI ( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) )( (( segid " " and resid 1593 and name HG )) ) 2.700 2.700 0.000 peak 6930 weight 0.10000E+01 volume 0.30350E+01 ppm1 -0.264 ppm2 0.494 ASSI ( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) )( (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 7732 weight 0.10000E+01 volume 0.43900E+00 ppm1 -0.266 ppm2 6.778 ASSI ( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) )( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) OR (( segid " " and resid 1593 and name HB2 )) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 2.700 2.700 0.000 peak 6944 weight 0.10000E+01 volume 0.40660E+01 ppm1 -0.263 ppm2 0.594 ASSI ( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) )( (( segid " " and resid 1599 and name HB2 )) OR (( segid " " and resid 1597 and name HB1 )) OR (( segid " " and resid 1547 and name HG11)) OR (( segid " " and resid 1545 and name HB )) ) 5.000 5.000 0.000 peak 7739 weight 0.10000E+01 volume 0.30500E+00 ppm1 -0.417 ppm2 2.225 ASSI ( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) )( (( segid " " and resid 1599 and name HB1 )) OR (( segid " " and resid 1597 and name HD1 )) OR (( segid " " and resid 1559 and name HB2 )) OR (( segid " " and resid 1547 and name HB )) ) 6.000 6.000 0.000 peak 7738 weight 0.10000E+01 volume 0.27500E+00 ppm1 -0.414 ppm2 2.869 ASSI ( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) )( (( segid " " and resid 1595 and name HD2 )) OR (( segid " " and resid 1595 and name HD1 )) OR (( segid " " and resid 1595 and name HB1 )) ) 2.700 2.700 0.000 peak 7673 weight 0.10000E+01 volume 0.54860E+01 ppm1 1.334 ppm2 1.826 ASSI ( (( segid " " and resid 1597 and name HA )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 7188 weight 0.10000E+01 volume -0.13100E+01 ppm1 4.596 ppm2 6.829 ASSI ( (( segid " " and resid 1597 and name HB1 )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 7442 weight 0.10000E+01 volume 0.78600E+00 ppm1 2.245 ppm2 6.810 ASSI ( (( segid " " and resid 1597 and name HD1 )) )( (( segid " " and resid 1597 and name HG2 )) OR (( segid " " and resid 1594 and name HB )) ) 3.300 3.300 0.000 peak 7422 weight 0.10000E+01 volume 0.23380E+01 ppm1 2.880 ppm2 1.781 ASSI ( (( segid " " and resid 1597 and name HD1 )) )( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) ) 3.300 3.300 0.000 peak 7427 weight 0.10000E+01 volume 0.16560E+01 ppm1 2.884 ppm2 0.891 ASSI ( (( segid " " and resid 1597 and name HD2 )) )( (( segid " " and resid 1597 and name HG2 )) OR (( segid " " and resid 1594 and name HB )) ) 3.300 3.300 0.000 peak 7424 weight 0.10000E+01 volume 0.15070E+01 ppm1 2.538 ppm2 1.782 ASSI ( (( segid " " and resid 1599 and name HB2 )) )( (( segid " " and resid 1580 and name HG11)) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 7586 weight 0.10000E+01 volume 0.58300E+00 ppm1 2.225 ppm2 0.935 ASSI ( (( segid " " and resid 1599 and name HB1 )) )( (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 7308 weight 0.10000E+01 volume 0.11730E+01 ppm1 2.886 ppm2 6.781 ASSI ( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) )( (( segid " " and resid 1602 and name HG1 )) OR (( segid " " and resid 1600 and name HB1 )) ) 5.000 5.000 0.000 peak 7546 weight 0.10000E+01 volume 0.13400E+01 ppm1 0.743 ppm2 2.394 ASSI ( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) )( (( segid " " and resid 1626 and name HD1 )) OR (( segid " " and resid 1543 and name HD2 )) OR (( segid " " and resid 1543 and name HD1 )) ) 5.000 5.000 0.000 peak 6959 weight 0.10000E+01 volume 0.80800E+00 ppm1 0.745 ppm2 6.830 ASSI ( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) )( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) OR (( segid " " and resid 1598 and name HE22)) ) 5.000 5.000 0.000 peak 6528 weight 0.10000E+01 volume 0.13550E+01 ppm1 1.294 ppm2 6.590 ASSI ( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) )( (( segid " " and resid 1649 and name HZ )) OR (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 7470 weight 0.10000E+01 volume 0.12700E+01 ppm1 1.297 ppm2 6.683 ASSI ( (( segid " " and resid 1601 and name HA )) )( (( segid " " and resid 1602 and name HG2 )) OR (( segid " " and resid 1600 and name HB1 )) ) 6.000 6.000 0.000 peak 7472 weight 0.10000E+01 volume -0.26300E+00 ppm1 5.759 ppm2 2.376 ASSI ( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) OR (( segid " " and resid 1541 and name HD1 )) ) 5.000 5.000 0.000 peak 7521 weight 0.10000E+01 volume 0.33400E+00 ppm1 -0.034 ppm2 6.746 ASSI ( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) )( (( segid " " and resid 1628 and name HA )) OR (( segid " " and resid 1627 and name HA )) ) 6.000 6.000 0.000 peak 7519 weight 0.10000E+01 volume 0.26300E+00 ppm1 -0.032 ppm2 4.899 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1628 and name HB2 )) OR (( segid " " and resid 1536 and name HD2 )) OR (( segid " " and resid 1536 and name HD1 )) OR (( segid " " and resid 1536 and name HB2 )) ) 5.000 5.000 0.000 peak 7387 weight 0.10000E+01 volume 0.41000E+00 ppm1 0.974 ppm2 1.829 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1543 and name HB2 )) OR (( segid " " and resid 1536 and name HE2 )) OR (( segid " " and resid 1536 and name HE1 )) ) 5.000 5.000 0.000 peak 7380 weight 0.10000E+01 volume 0.35200E+00 ppm1 0.976 ppm2 3.021 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1600 and name HG )) OR (( segid " " and resid 1568 and name HB2 )) OR (( segid " " and resid 1539 and name HG11)) OR (( segid " " and resid 1531 and name HD2 )) ) 5.000 5.000 0.000 peak 7389 weight 0.10000E+01 volume 0.10300E+01 ppm1 0.976 ppm2 1.588 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1601 and name HB )) OR (( segid " " and resid 1600 and name HG )) OR (( segid " " and resid 1568 and name HB1 )) OR (( segid " " and resid 1536 and name HG2 )) OR (( segid " " and resid 1531 and name HD1 )) ) 5.000 5.000 0.000 peak 7388 weight 0.10000E+01 volume 0.10980E+01 ppm1 0.978 ppm2 1.681 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1538 and name HB2 )) OR (( segid " " and resid 1532 and name HB2 )) OR (( segid " " and resid 1531 and name HB2 )) OR (( segid " " and resid 1531 and name HB1 )) OR (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) ) 5.000 5.000 0.000 peak 7386 weight 0.10000E+01 volume 0.11220E+01 ppm1 0.979 ppm2 1.979 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) ) 3.300 3.300 0.000 peak 7385 weight 0.10000E+01 volume 0.16880E+01 ppm1 0.976 ppm2 2.079 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1539 and name HB )) ) 5.000 5.000 0.000 peak 7384 weight 0.10000E+01 volume 0.13370E+01 ppm1 0.976 ppm2 2.175 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1530 and name HG2 )) ) 5.000 5.000 0.000 peak 7390 weight 0.10000E+01 volume 0.31500E+00 ppm1 0.975 ppm2 0.101 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) OR (( segid " " and resid 1626 and name HH2 )) OR (( segid " " and resid 1626 and name HZ3 )) OR (( segid " " and resid 1541 and name HN )) ) 5.000 5.000 0.000 peak 7378 weight 0.10000E+01 volume 0.51000E+00 ppm1 0.976 ppm2 6.929 ASSI ( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) )( (( segid " " and resid 1626 and name HA )) OR (( segid " " and resid 1625 and name HA )) OR (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1535 and name HA )) ) 6.000 6.000 0.000 peak 7377 weight 0.10000E+01 volume 0.24000E+00 ppm1 0.980 ppm2 4.603 ASSI ( (( segid " " and resid 1603 and name HA1 )) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) OR (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) OR (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) ) 5.000 5.000 0.000 peak 7365 weight 0.10000E+01 volume 0.46900E+00 ppm1 4.543 ppm2 1.353 ASSI ( (( segid " " and resid 1603 and name HA2 )) )( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) ) 5.000 5.000 0.000 peak 7362 weight 0.10000E+01 volume 0.32100E+00 ppm1 3.921 ppm2 0.886 ASSI ( (( segid " " and resid 1603 and name HA2 )) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) OR (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) ) 5.000 5.000 0.000 peak 7361 weight 0.10000E+01 volume 0.65800E+00 ppm1 3.932 ppm2 1.356 ASSI ( (( segid " " and resid 1604 and name HA )) )( (( segid " " and resid 1620 and name HD2 )) OR (( segid " " and resid 1606 and name HA )) OR (( segid " " and resid 1571 and name HA )) OR (( segid " " and resid 1538 and name HA )) ) 5.000 5.000 0.000 peak 7340 weight 0.10000E+01 volume -0.56700E+00 ppm1 4.663 ppm2 4.057 ASSI ( (( segid " " and resid 1604 and name HA )) )( (( segid " " and resid 1603 and name HA2 )) OR (( segid " " and resid 1539 and name HA )) ) 5.000 5.000 0.000 peak 7339 weight 0.10000E+01 volume -0.85900E+00 ppm1 4.662 ppm2 3.943 ASSI ( (( segid " " and resid 1604 and name HB2 )) OR (( segid " " and resid 1604 and name HB1 )) )( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) ) 5.000 5.000 0.000 peak 7344 weight 0.10000E+01 volume 0.66000E+00 ppm1 1.977 ppm2 0.920 ASSI ( (( segid " " and resid 1604 and name HD1 )) )( (( segid " " and resid 1604 and name HA )) ) 3.300 3.300 0.000 peak 7352 weight 0.10000E+01 volume 0.15260E+01 ppm1 1.823 ppm2 4.682 ASSI ( (( segid " " and resid 1604 and name HD2 )) )( (( segid " " and resid 1604 and name HA )) ) 5.000 5.000 0.000 peak 7353 weight 0.10000E+01 volume 0.10820E+01 ppm1 1.731 ppm2 4.678 ASSI ( (( segid " " and resid 1606 and name HA )) )( (( segid " " and resid 1608 and name HG2 )) OR (( segid " " and resid 1608 and name HB2 )) OR (( segid " " and resid 1608 and name HB1 )) OR (( segid " " and resid 1607 and name HG )) OR (( segid " " and resid 1607 and name HB1 )) OR (( segid " " and resid 1604 and name HG2 )) OR (( segid " " and resid 1604 and name HG1 )) OR (( segid " " and resid 1580 and name HB )) OR (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 6.000 6.000 0.000 peak 7301 weight 0.10000E+01 volume -0.15100E+00 ppm1 4.049 ppm2 1.679 ASSI ( (( segid " " and resid 1608 and name HA )) )( (( segid " " and resid 1608 and name HG2 )) OR (( segid " " and resid 1608 and name HB2 )) OR (( segid " " and resid 1608 and name HB1 )) ) 2.700 2.700 0.000 peak 7241 weight 0.10000E+01 volume -0.31050E+01 ppm1 4.605 ppm2 1.733 ASSI ( (( segid " " and resid 1616 and name HB1 )) )( (( segid " " and resid 1616 and name HD1 )) ) 5.000 5.000 0.000 peak 7194 weight 0.10000E+01 volume 0.12480E+01 ppm1 1.793 ppm2 2.968 ASSI ( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) )( (( segid " " and resid 1616 and name HB1 )) OR (( segid " " and resid 1610 and name HB1 )) OR (( segid " " and resid 1609 and name HB )) OR (( segid " " and resid 1608 and name HG2 )) OR (( segid " " and resid 1608 and name HB2 )) OR (( segid " " and resid 1608 and name HB1 )) ) 5.000 5.000 0.000 peak 7173 weight 0.10000E+01 volume -0.78900E+00 ppm1 6.998 ppm2 1.731 ASSI ( (( segid " " and resid 1618 and name HA )) )( (( segid " " and resid 1581 and name HB )) ) 5.000 5.000 0.000 peak 7137 weight 0.10000E+01 volume -0.49800E+00 ppm1 4.599 ppm2 3.979 ASSI ( (( segid " " and resid 1618 and name HA )) )( (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) ) 5.000 5.000 0.000 peak 7136 weight 0.10000E+01 volume -0.11650E+01 ppm1 4.600 ppm2 0.714 ASSI ( (( segid " " and resid 1619 and name HA )) )( (( segid " " and resid 1620 and name HD2 )) OR (( segid " " and resid 1606 and name HA )) ) 3.300 3.300 0.000 peak 7092 weight 0.10000E+01 volume -0.18840E+01 ppm1 4.764 ppm2 4.033 ASSI ( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) )( (( segid " " and resid 1620 and name HD2 )) OR (( segid " " and resid 1606 and name HA )) OR (( segid " " and resid 1605 and name HA )) OR (( segid " " and resid 1581 and name HB )) ) 5.000 5.000 0.000 peak 7112 weight 0.10000E+01 volume -0.59900E+00 ppm1 6.870 ppm2 4.011 ASSI ( (( segid " " and resid 1619 and name HE2 )) OR (( segid " " and resid 1619 and name HE1 )) )( (( segid " " and resid 1620 and name HD2 )) OR (( segid " " and resid 1606 and name HA )) OR (( segid " " and resid 1605 and name HA )) OR (( segid " " and resid 1581 and name HB )) OR (( segid " " and resid 1578 and name HB1 )) ) 6.000 6.000 0.000 peak 7128 weight 0.10000E+01 volume 0.26000E+00 ppm1 6.198 ppm2 4.009 ASSI ( (( segid " " and resid 1620 and name HA )) )( (( segid " " and resid 1620 and name HG1 )) OR (( segid " " and resid 1620 and name HB1 )) ) 5.000 5.000 0.000 peak 7057 weight 0.10000E+01 volume -0.12960E+01 ppm1 4.985 ppm2 2.226 ASSI ( (( segid " " and resid 1620 and name HD2 )) )( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) OR (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) ) 5.000 5.000 0.000 peak 7096 weight 0.10000E+01 volume -0.33500E+00 ppm1 4.038 ppm2 0.889 ASSI ( (( segid " " and resid 1620 and name HD2 )) )( (( segid " " and resid 1607 and name HG )) OR (( segid " " and resid 1607 and name HB1 )) OR (( segid " " and resid 1604 and name HG2 )) OR (( segid " " and resid 1604 and name HG1 )) OR (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 5.000 5.000 0.000 peak 7094 weight 0.10000E+01 volume -0.43300E+00 ppm1 4.022 ppm2 1.632 ASSI ( (( segid " " and resid 1620 and name HG1 )) )( (( segid " " and resid 1624 and name HB2 )) OR (( segid " " and resid 1624 and name HB1 )) OR (( segid " " and resid 1607 and name HG )) OR (( segid " " and resid 1607 and name HB1 )) OR (( segid " " and resid 1604 and name HG2 )) OR (( segid " " and resid 1604 and name HG1 )) OR (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 5.000 5.000 0.000 peak 7084 weight 0.10000E+01 volume 0.40600E+00 ppm1 2.246 ppm2 1.678 ASSI ( (( segid " " and resid 1620 and name HG2 )) )( (( segid " " and resid 1621 and name HA )) OR (( segid " " and resid 1620 and name HA )) ) 5.000 5.000 0.000 peak 7069 weight 0.10000E+01 volume 0.38600E+00 ppm1 1.999 ppm2 4.997 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1625 and name HB )) OR (( segid " " and resid 1623 and name HA )) OR (( segid " " and resid 1603 and name HA2 )) OR (( segid " " and resid 1593 and name HA )) ) 5.000 5.000 0.000 peak 7046 weight 0.10000E+01 volume 0.48100E+00 ppm1 0.808 ppm2 3.967 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1622 and name HB1 )) OR (( segid " " and resid 1584 and name HE1 )) OR (( segid " " and resid 1582 and name HB1 )) ) 5.000 5.000 0.000 peak 7047 weight 0.10000E+01 volume 0.61700E+00 ppm1 0.811 ppm2 3.216 ASSI ( (( segid " " and resid 1621 and name HG )) )( (( segid " " and resid 1584 and name HE1 )) OR (( segid " " and resid 1582 and name HB1 )) ) 5.000 5.000 0.000 peak 7031 weight 0.10000E+01 volume 0.53600E+00 ppm1 1.987 ppm2 3.170 ASSI ( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) )( (( segid " " and resid 1626 and name HA )) OR (( segid " " and resid 1625 and name HA )) ) 5.000 5.000 0.000 peak 7290 weight 0.10000E+01 volume 0.46100E+00 ppm1 0.850 ppm2 4.602 ASSI ( (( segid " " and resid 1624 and name HG )) )( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) OR (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) ) 6.000 6.000 0.000 peak 7005 weight 0.10000E+01 volume 0.23900E+00 ppm1 1.783 ppm2 0.543 ASSI ( (( segid " " and resid 1625 and name HA )) )( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) OR (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) ) 5.000 5.000 0.000 peak 6975 weight 0.10000E+01 volume -0.41700E+00 ppm1 4.574 ppm2 0.544 ASSI ( (( segid " " and resid 1625 and name HB )) )( (( segid " " and resid 1624 and name HD13)) OR (( segid " " and resid 1624 and name HD12)) OR (( segid " " and resid 1624 and name HD11)) OR (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) ) 5.000 5.000 0.000 peak 6982 weight 0.10000E+01 volume -0.47500E+00 ppm1 3.995 ppm2 0.940 ASSI ( (( segid " " and resid 1625 and name HB )) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1601 and name HG11)) ) 5.000 5.000 0.000 peak 6979 weight 0.10000E+01 volume -0.59600E+00 ppm1 3.991 ppm2 1.499 ASSI ( (( segid " " and resid 1625 and name HB )) )( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) OR (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) ) 5.000 5.000 0.000 peak 6981 weight 0.10000E+01 volume -0.58700E+00 ppm1 3.989 ppm2 0.838 ASSI ( (( segid " " and resid 1625 and name HB )) )( (( segid " " and resid 1621 and name HA )) OR (( segid " " and resid 1514 and name HA )) ) 6.000 6.000 0.000 peak 6978 weight 0.10000E+01 volume -0.29100E+00 ppm1 3.989 ppm2 4.998 ASSI ( (( segid " " and resid 1626 and name HZ3 )) )( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) OR (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) OR (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) OR (( segid " " and resid 1518 and name HG2 )) ) 5.000 5.000 0.000 peak 6971 weight 0.10000E+01 volume 0.72300E+00 ppm1 6.955 ppm2 1.188 ASSI ( (( segid " " and resid 1627 and name HA )) )( (( segid " " and resid 1627 and name HG12)) ) 5.000 5.000 0.000 peak 6902 weight 0.10000E+01 volume -0.53600E+00 ppm1 4.885 ppm2 0.647 ASSI ( (( segid " " and resid 1627 and name HA )) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) OR (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) OR (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 5.000 5.000 0.000 peak 6901 weight 0.10000E+01 volume -0.63200E+00 ppm1 4.893 ppm2 0.742 ASSI ( (( segid " " and resid 1627 and name HA )) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1601 and name HG11)) ) 5.000 5.000 0.000 peak 6900 weight 0.10000E+01 volume -0.67400E+00 ppm1 4.891 ppm2 1.505 ASSI ( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) )( (( segid " " and resid 1621 and name HA )) OR (( segid " " and resid 1602 and name HA )) OR (( segid " " and resid 1514 and name HA )) ) 5.000 5.000 0.000 peak 6935 weight 0.10000E+01 volume 0.43300E+00 ppm1 0.586 ppm2 5.025 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) OR (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB1 )) ) 5.000 5.000 0.000 peak 6919 weight 0.10000E+01 volume 0.88900E+00 ppm1 0.514 ppm2 1.377 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1628 and name HB2 )) OR (( segid " " and resid 1594 and name HB )) OR (( segid " " and resid 1592 and name HB2 )) OR (( segid " " and resid 1592 and name HB1 )) OR (( segid " " and resid 1517 and name HB2 )) OR (( segid " " and resid 1516 and name HB2 )) ) 5.000 5.000 0.000 peak 6917 weight 0.10000E+01 volume 0.63500E+00 ppm1 0.513 ppm2 1.823 ASSI ( (( segid " " and resid 1628 and name HA )) )( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) ) 6.000 6.000 0.000 peak 6881 weight 0.10000E+01 volume -0.19500E+00 ppm1 4.953 ppm2 0.512 ASSI ( (( segid " " and resid 1628 and name HA )) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1518 and name HG1 )) ) 5.000 5.000 0.000 peak 6879 weight 0.10000E+01 volume -0.32200E+00 ppm1 4.950 ppm2 1.489 ASSI ( (( segid " " and resid 1628 and name HA )) )( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1520 and name HG2 )) OR (( segid " " and resid 1518 and name HB1 )) ) 5.000 5.000 0.000 peak 6877 weight 0.10000E+01 volume -0.37900E+00 ppm1 4.955 ppm2 2.170 ASSI ( (( segid " " and resid 1628 and name HA )) )( (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) OR (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) ) 6.000 6.000 0.000 peak 6880 weight 0.10000E+01 volume -0.18300E+00 ppm1 4.948 ppm2 1.142 ASSI ( (( segid " " and resid 1628 and name HA )) )( (( segid " " and resid 1628 and name HG1 )) OR (( segid " " and resid 1628 and name HB1 )) ) 5.000 5.000 0.000 peak 6875 weight 0.10000E+01 volume -0.13800E+01 ppm1 4.953 ppm2 2.477 ASSI ( (( segid " " and resid 1628 and name HB1 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) ) 5.000 5.000 0.000 peak 6891 weight 0.10000E+01 volume 0.30000E+00 ppm1 2.473 ppm2 0.742 ASSI ( (( segid " " and resid 1628 and name HB2 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) ) 5.000 5.000 0.000 peak 6892 weight 0.10000E+01 volume 0.30100E+00 ppm1 1.782 ppm2 0.743 ASSI ( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) )( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) ) 5.000 5.000 0.000 peak 6871 weight 0.10000E+01 volume -0.48900E+00 ppm1 6.860 ppm2 0.589 ASSI ( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) )( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) OR (( segid " " and resid 1599 and name HB2 )) OR (( segid " " and resid 1597 and name HB1 )) OR (( segid " " and resid 1547 and name HG11)) OR (( segid " " and resid 1520 and name HG2 )) ) 5.000 5.000 0.000 peak 6866 weight 0.10000E+01 volume -0.84700E+00 ppm1 6.857 ppm2 2.208 ASSI ( (( segid " " and resid 1630 and name HA )) )( (( segid " " and resid 1631 and name HD2 )) OR (( segid " " and resid 1630 and name HB1 )) ) 5.000 5.000 0.000 peak 6800 weight 0.10000E+01 volume -0.11880E+01 ppm1 4.841 ppm2 3.071 ASSI ( (( segid " " and resid 1630 and name HA )) )( (( segid " " and resid 1642 and name HE2 )) OR (( segid " " and resid 1642 and name HE1 )) ) 5.000 5.000 0.000 peak 6817 weight 0.10000E+01 volume -0.50300E+00 ppm1 4.841 ppm2 7.324 ASSI ( (( segid " " and resid 1630 and name HE3 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) OR (( segid " " and resid 1544 and name HD1 )) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) ) 5.000 5.000 0.000 peak 6834 weight 0.10000E+01 volume 0.45500E+00 ppm1 7.510 ppm2 0.766 ASSI ( (( segid " " and resid 1630 and name HH2 )) )( (( segid " " and resid 1649 and name HZ )) OR (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) ) 5.000 5.000 0.000 peak 6846 weight 0.10000E+01 volume -0.40600E+00 ppm1 7.067 ppm2 6.716 ASSI ( (( segid " " and resid 1630 and name HZ2 )) )( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) OR (( segid " " and resid 1634 and name HG23)) OR (( segid " " and resid 1634 and name HG22)) OR (( segid " " and resid 1634 and name HG21)) OR (( segid " " and resid 1564 and name HB2 )) ) 6.000 6.000 0.000 peak 6849 weight 0.10000E+01 volume 0.22600E+00 ppm1 7.481 ppm2 1.223 ASSI ( (( segid " " and resid 1630 and name HZ3 )) )( (( segid " " and resid 1600 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) OR (( segid " " and resid 1544 and name HB1 )) ) 5.000 5.000 0.000 peak 6841 weight 0.10000E+01 volume 0.38000E+00 ppm1 7.160 ppm2 2.075 ASSI ( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) )( (( segid " " and resid 1640 and name HE22)) OR (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1598 and name HE21)) ) 5.000 5.000 0.000 peak 6756 weight 0.10000E+01 volume 0.43400E+00 ppm1 2.220 ppm2 6.848 ASSI ( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) )( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) OR (( segid " " and resid 1521 and name HD13)) OR (( segid " " and resid 1521 and name HD12)) OR (( segid " " and resid 1521 and name HD11)) ) 5.000 5.000 0.000 peak 6760 weight 0.10000E+01 volume 0.53100E+00 ppm1 2.225 ppm2 0.842 ASSI ( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) OR (( segid " " and resid 1598 and name HE22)) ) 6.000 6.000 0.000 peak 6757 weight 0.10000E+01 volume 0.25000E+00 ppm1 2.236 ppm2 6.632 ASSI ( (( segid " " and resid 1631 and name HG1 )) )( (( segid " " and resid 1642 and name HE2 )) OR (( segid " " and resid 1642 and name HE1 )) ) 6.000 6.000 0.000 peak 6785 weight 0.10000E+01 volume 0.19700E+00 ppm1 2.050 ppm2 7.325 ASSI ( (( segid " " and resid 1633 and name HA )) )( (( segid " " and resid 1635 and name HG23)) OR (( segid " " and resid 1635 and name HG22)) OR (( segid " " and resid 1635 and name HG21)) OR (( segid " " and resid 1634 and name HG23)) OR (( segid " " and resid 1634 and name HG22)) OR (( segid " " and resid 1634 and name HG21)) ) 5.000 5.000 0.000 peak 6706 weight 0.10000E+01 volume -0.57200E+00 ppm1 4.658 ppm2 1.213 ASSI ( (( segid " " and resid 1633 and name HB2 )) OR (( segid " " and resid 1633 and name HB1 )) )( (( segid " " and resid 1633 and name HA )) ) 3.300 3.300 0.000 peak 6709 weight 0.10000E+01 volume 0.24240E+01 ppm1 2.849 ppm2 4.655 ASSI ( (( segid " " and resid 1634 and name HA )) )( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1643 and name HB1 )) OR (( segid " " and resid 1631 and name HG2 )) ) 5.000 5.000 0.000 peak 6702 weight 0.10000E+01 volume -0.56600E+00 ppm1 4.221 ppm2 1.832 ASSI ( (( segid " " and resid 1634 and name HA )) )( (( segid " " and resid 1633 and name HA )) ) 5.000 5.000 0.000 peak 6699 weight 0.10000E+01 volume -0.49700E+00 ppm1 4.218 ppm2 4.622 ASSI ( (( segid " " and resid 1640 and name HA )) )( (( segid " " and resid 1643 and name HB1 )) ) 5.000 5.000 0.000 peak 6618 weight 0.10000E+01 volume -0.86300E+00 ppm1 3.984 ppm2 1.875 ASSI ( (( segid " " and resid 1640 and name HA )) )( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1643 and name HB2 )) OR (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) ) 5.000 5.000 0.000 peak 6619 weight 0.10000E+01 volume -0.78500E+00 ppm1 3.983 ppm2 1.444 ASSI ( (( segid " " and resid 1640 and name HG1 )) )( (( segid " " and resid 1641 and name HA )) OR (( segid " " and resid 1639 and name HA )) ) 5.000 5.000 0.000 peak 6689 weight 0.10000E+01 volume 0.66400E+00 ppm1 2.552 ppm2 4.106 ASSI ( (( segid " " and resid 1640 and name HG2 )) )( (( segid " " and resid 1641 and name HA )) OR (( segid " " and resid 1639 and name HA )) ) 5.000 5.000 0.000 peak 6690 weight 0.10000E+01 volume 0.74300E+00 ppm1 2.412 ppm2 4.107 ASSI ( (( segid " " and resid 1642 and name HB1 )) )( (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) OR (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) ) 5.000 5.000 0.000 peak 6656 weight 0.10000E+01 volume 0.70800E+00 ppm1 3.057 ppm2 1.017 ASSI ( (( segid " " and resid 1642 and name HB2 )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) OR (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) OR (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) ) 5.000 5.000 0.000 peak 6655 weight 0.10000E+01 volume 0.52500E+00 ppm1 2.769 ppm2 1.005 ASSI ( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) )( (( segid " " and resid 1642 and name HB1 )) OR (( segid " " and resid 1631 and name HD2 )) ) 5.000 5.000 0.000 peak 6660 weight 0.10000E+01 volume -0.10410E+01 ppm1 6.625 ppm2 3.065 ASSI ( (( segid " " and resid 1643 and name HA )) )( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1643 and name HB1 )) ) 5.000 5.000 0.000 peak 6610 weight 0.10000E+01 volume -0.89000E+00 ppm1 3.496 ppm2 1.851 ASSI ( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) )( (( segid " " and resid 1631 and name HG1 )) ) 5.000 5.000 0.000 peak 6642 weight 0.10000E+01 volume 0.12310E+01 ppm1 0.815 ppm2 2.029 ASSI ( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) )( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1643 and name HB1 )) ) 3.300 3.300 0.000 peak 6643 weight 0.10000E+01 volume 0.29840E+01 ppm1 0.817 ppm2 1.842 ASSI ( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) )( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) ) 5.000 5.000 0.000 peak 6641 weight 0.10000E+01 volume 0.86800E+00 ppm1 0.817 ppm2 2.227 ASSI ( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) )( (( segid " " and resid 1645 and name HB1 )) OR (( segid " " and resid 1633 and name HB2 )) OR (( segid " " and resid 1633 and name HB1 )) ) 5.000 5.000 0.000 peak 6640 weight 0.10000E+01 volume 0.45900E+00 ppm1 0.817 ppm2 2.870 ASSI ( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) )( (( segid " " and resid 1631 and name HG1 )) OR (( segid " " and resid 1600 and name HB2 )) OR (( segid " " and resid 1544 and name HB1 )) ) 5.000 5.000 0.000 peak 6568 weight 0.10000E+01 volume 0.32200E+00 ppm1 -0.575 ppm2 2.077 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1626 and name HH2 )) ) 6.000 6.000 0.000 peak 6585 weight 0.10000E+01 volume 0.22700E+00 ppm1 -0.186 ppm2 6.887 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1646 and name HB1 )) ) 5.000 5.000 0.000 peak 6594 weight 0.10000E+01 volume 0.11280E+01 ppm1 -0.187 ppm2 0.891 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1544 and name HE2 )) OR (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) OR (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) ) 5.000 5.000 0.000 peak 6593 weight 0.10000E+01 volume 0.35700E+00 ppm1 -0.187 ppm2 1.138 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) ) 6.000 6.000 0.000 peak 6592 weight 0.10000E+01 volume 0.15700E+00 ppm1 -0.186 ppm2 1.287 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1631 and name HG1 )) OR (( segid " " and resid 1544 and name HB1 )) OR (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) ) 5.000 5.000 0.000 peak 6590 weight 0.10000E+01 volume 0.81100E+00 ppm1 -0.187 ppm2 1.997 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1648 and name HG1 )) OR (( segid " " and resid 1645 and name HB2 )) OR (( segid " " and resid 1602 and name HG2 )) OR (( segid " " and resid 1600 and name HB1 )) ) 5.000 5.000 0.000 peak 6589 weight 0.10000E+01 volume 0.33900E+00 ppm1 -0.186 ppm2 2.379 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1649 and name HB2 )) OR (( segid " " and resid 1642 and name HB1 )) OR (( segid " " and resid 1631 and name HD2 )) OR (( segid " " and resid 1630 and name HB1 )) ) 6.000 6.000 0.000 peak 6588 weight 0.10000E+01 volume 0.23300E+00 ppm1 -0.188 ppm2 3.071 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1642 and name HE2 )) OR (( segid " " and resid 1642 and name HE1 )) ) 5.000 5.000 0.000 peak 6584 weight 0.10000E+01 volume 0.39000E+00 ppm1 -0.187 ppm2 7.346 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) OR (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) OR (( segid " " and resid 1598 and name HE22)) OR (( segid " " and resid 1567 and name HD1 )) OR (( segid " " and resid 1525 and name HN )) ) 6.000 6.000 0.000 peak 6586 weight 0.10000E+01 volume 0.20100E+00 ppm1 -0.189 ppm2 6.630 ASSI ( (( segid " " and resid 1647 and name HB1 )) )( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) OR (( segid " " and resid 1634 and name HG23)) OR (( segid " " and resid 1634 and name HG22)) OR (( segid " " and resid 1634 and name HG21)) ) 5.000 5.000 0.000 peak 6544 weight 0.10000E+01 volume 0.33700E+00 ppm1 2.684 ppm2 1.188 ASSI ( (( segid " " and resid 1647 and name HB2 )) )( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) OR (( segid " " and resid 1634 and name HG23)) OR (( segid " " and resid 1634 and name HG22)) OR (( segid " " and resid 1634 and name HG21)) ) 6.000 6.000 0.000 peak 6545 weight 0.10000E+01 volume 0.24400E+00 ppm1 2.621 ppm2 1.188 ASSI ( (( segid " " and resid 1649 and name HA )) )( (( segid " " and resid 1649 and name HB2 )) ) 5.000 5.000 0.000 peak 6496 weight 0.10000E+01 volume -0.66800E+00 ppm1 4.255 ppm2 3.115 ASSI ( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) )( (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) OR (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) ) 5.000 5.000 0.000 peak 6514 weight 0.10000E+01 volume -0.88800E+00 ppm1 6.901 ppm2 1.205 ASSI ( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) OR (( segid " " and resid 1530 and name HG1 )) ) 5.000 5.000 0.000 peak 6515 weight 0.10000E+01 volume -0.63500E+00 ppm1 6.896 ppm2 0.594 ASSI ( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) )( (( segid " " and resid 1654 and name HB2 )) OR (( segid " " and resid 1649 and name HB1 )) OR (( segid " " and resid 1626 and name HB1 )) OR (( segid " " and resid 1567 and name HB1 )) ) 5.000 5.000 0.000 peak 6523 weight 0.10000E+01 volume -0.40000E+00 ppm1 6.587 ppm2 3.217 ASSI ( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) OR (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 5.000 5.000 0.000 peak 6526 weight 0.10000E+01 volume -0.63800E+00 ppm1 6.594 ppm2 0.741 ASSI ( (( segid " " and resid 1649 and name HZ )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) OR (( segid " " and resid 1530 and name HG1 )) ) 6.000 6.000 0.000 peak 6464 weight 0.10000E+01 volume -0.29600E+00 ppm1 6.684 ppm2 0.596 ASSI ( (( segid " " and resid 1650 and name HA )) )( (( segid " " and resid 1649 and name HZ )) OR (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 6493 weight 0.10000E+01 volume -0.35900E+00 ppm1 2.786 ppm2 6.683 ASSI ( (( segid " " and resid 1651 and name HA )) )( (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) ) 6.000 6.000 0.000 peak 6485 weight 0.10000E+01 volume -0.26600E+00 ppm1 4.063 ppm2 1.195 ASSI ( (( segid " " and resid 1651 and name HG1 )) )( (( segid " " and resid 1652 and name HA )) ) 5.000 5.000 0.000 peak 6491 weight 0.10000E+01 volume 0.57500E+00 ppm1 2.409 ppm2 4.354 ASSI ( (( segid " " and resid 1651 and name HG1 )) )( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) OR (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) ) 6.000 6.000 0.000 peak 6488 weight 0.10000E+01 volume 0.14500E+00 ppm1 2.409 ppm2 1.189 ASSI ( (( segid " " and resid 1651 and name HG2 )) )( (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) ) 5.000 5.000 0.000 peak 6489 weight 0.10000E+01 volume 0.30200E+00 ppm1 2.313 ppm2 1.188 ASSI ( (( segid " " and resid 1653 and name HA )) )( (( segid " " and resid 1655 and name HB2 )) OR (( segid " " and resid 1568 and name HD1 )) OR (( segid " " and resid 1568 and name HB2 )) OR (( segid " " and resid 1531 and name HD2 )) OR (( segid " " and resid 1531 and name HG1 )) ) 5.000 5.000 0.000 peak 6439 weight 0.10000E+01 volume -0.62000E+00 ppm1 3.826 ppm2 1.534 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1649 and name HZ )) OR (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 6478 weight 0.10000E+01 volume 0.10540E+01 ppm1 0.624 ppm2 6.637 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1654 and name HB2 )) OR (( segid " " and resid 1649 and name HB1 )) OR (( segid " " and resid 1567 and name HB1 )) ) 5.000 5.000 0.000 peak 6476 weight 0.10000E+01 volume 0.58300E+00 ppm1 0.626 ppm2 3.216 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1653 and name HA )) OR (( segid " " and resid 1531 and name HA )) ) 3.300 3.300 0.000 peak 6477 weight 0.10000E+01 volume 0.15150E+01 ppm1 0.623 ppm2 3.841 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1657 and name HA2 )) ) 5.000 5.000 0.000 peak 8394 weight 0.10000E+01 volume 0.88300E+00 ppm1 0.624 ppm2 3.975 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1568 and name HE2 )) OR (( segid " " and resid 1568 and name HE1 )) OR (( segid " " and resid 1531 and name HE1 )) ) 5.000 5.000 0.000 peak 8397 weight 0.10000E+01 volume 0.88700E+00 ppm1 0.623 ppm2 2.921 ASSI ( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) )( (( segid " " and resid 1567 and name HB2 )) ) 5.000 5.000 0.000 peak 8398 weight 0.10000E+01 volume 0.98800E+00 ppm1 0.623 ppm2 2.574 ASSI ( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) )( (( segid " " and resid 1654 and name HA )) OR (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1535 and name HA )) ) 5.000 5.000 0.000 peak 6453 weight 0.10000E+01 volume 0.82300E+00 ppm1 0.575 ppm2 4.556 ASSI ( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) )( (( segid " " and resid 1649 and name HZ )) OR (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 3.300 3.300 0.000 peak 6452 weight 0.10000E+01 volume 0.15070E+01 ppm1 0.580 ppm2 6.676 ASSI ( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) )( (( segid " " and resid 1652 and name HA )) ) 5.000 5.000 0.000 peak 6454 weight 0.10000E+01 volume 0.67100E+00 ppm1 0.579 ppm2 4.305 ASSI ( (( segid " " and resid 1654 and name HB1 )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 6.000 6.000 0.000 peak 6471 weight 0.10000E+01 volume 0.88000E-01 ppm1 3.415 ppm2 0.592 ASSI ( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) )( (( segid " " and resid 1655 and name HB2 )) ) 6.000 6.000 0.000 peak 9511 weight 0.10000E+01 volume -0.26800E+00 ppm1 7.332 ppm2 1.483 ASSI ( (( segid " " and resid 1655 and name HB1 )) )( (( segid " " and resid 1651 and name HB2 )) OR (( segid " " and resid 1651 and name HB1 )) ) 5.000 5.000 0.000 peak 6413 weight 0.10000E+01 volume 0.57800E+00 ppm1 1.844 ppm2 2.002 ASSI ( (( segid " " and resid 1655 and name HB2 )) )( (( segid " " and resid 1651 and name HB2 )) OR (( segid " " and resid 1651 and name HB1 )) ) 5.000 5.000 0.000 peak 6412 weight 0.10000E+01 volume 0.47400E+00 ppm1 1.513 ppm2 1.995 ASSI ( (( segid " " and resid 1655 and name HB1 )) )( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) OR (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) ) 3.300 3.300 0.000 peak 6414 weight 0.10000E+01 volume 0.16670E+01 ppm1 1.841 ppm2 0.934 ASSI ( (( segid " " and resid 1655 and name HB2 )) )( (( segid " " and resid 1655 and name HG )) OR (( segid " " and resid 1655 and name HB1 )) ) 2.700 2.700 0.000 peak 6410 weight 0.10000E+01 volume 0.58540E+01 ppm1 1.511 ppm2 1.832 ASSI ( (( segid " " and resid 1655 and name HG )) )( (( segid " " and resid 1651 and name HG1 )) ) 5.000 5.000 0.000 peak 6417 weight 0.10000E+01 volume 0.78000E+00 ppm1 1.846 ppm2 2.375 ASSI ( (( segid " " and resid 1656 and name HA )) )( (( segid " " and resid 1657 and name HA1 )) OR (( segid " " and resid 1655 and name HA )) ) 5.000 5.000 0.000 peak 6402 weight 0.10000E+01 volume -0.37800E+00 ppm1 4.817 ppm2 4.058 ASSI ( (( segid " " and resid 1658 and name HA )) )( (( segid " " and resid 1531 and name HE1 )) ) 5.000 5.000 0.000 peak 6391 weight 0.10000E+01 volume -0.74300E+00 ppm1 4.638 ppm2 2.969 ASSI ( (( segid " " and resid 1658 and name HA )) )( (( segid " " and resid 1535 and name HB1 )) ) 6.000 6.000 0.000 peak 6390 weight 0.10000E+01 volume -0.16800E+00 ppm1 4.638 ppm2 3.367 ASSI ( (( segid " " and resid 1658 and name HA )) )( (( segid " " and resid 1658 and name HB2 )) OR (( segid " " and resid 1535 and name HB2 )) ) 3.300 3.300 0.000 peak 6392 weight 0.10000E+01 volume -0.16680E+01 ppm1 4.637 ppm2 2.669 ASSI ( (( segid " " and resid 1512 and name HA )) )( (( segid " " and resid 1512 and name HB3 )) OR (( segid " " and resid 1512 and name HB2 )) OR (( segid " " and resid 1512 and name HB1 )) ) 3.300 3.300 0.000 peak 9136 weight 0.10000E+01 volume -0.15490E+01 ppm1 4.398 ppm2 1.438 ASSI ( (( segid " " and resid 1514 and name HB2 )) )( (( segid " " and resid 1588 and name HB1 )) ) 5.000 5.000 0.000 peak 9684 weight 0.10000E+01 volume 0.39200E+00 ppm1 2.766 ppm2 3.574 ASSI ( (( segid " " and resid 1516 and name HB1 )) )( (( segid " " and resid 1516 and name HA )) ) 3.300 3.300 0.000 peak 9674 weight 0.10000E+01 volume 0.17390E+01 ppm1 1.944 ppm2 4.500 ASSI ( (( segid " " and resid 1517 and name HB2 )) )( (( segid " " and resid 1517 and name HA )) ) 5.000 5.000 0.000 peak 7579 weight 0.10000E+01 volume 0.96800E+00 ppm1 1.832 ppm2 4.454 ASSI ( (( segid " " and resid 1517 and name HB1 )) )( (( segid " " and resid 1591 and name HA )) ) 5.000 5.000 0.000 peak 7778 weight 0.10000E+01 volume 0.30400E+00 ppm1 2.005 ppm2 4.206 ASSI ( (( segid " " and resid 1517 and name HG2 )) OR (( segid " " and resid 1517 and name HG1 )) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 6.000 6.000 0.000 peak 7740 weight 0.10000E+01 volume 0.17100E+00 ppm1 2.540 ppm2 -0.397 ASSI ( (( segid " " and resid 1518 and name HA )) )( (( segid " " and resid 1518 and name HG1 )) ) 5.000 5.000 0.000 peak 9631 weight 0.10000E+01 volume -0.95000E+00 ppm1 3.900 ppm2 1.488 ASSI ( (( segid " " and resid 1518 and name HA )) )( (( segid " " and resid 1518 and name HG2 )) ) 5.000 5.000 0.000 peak 9632 weight 0.10000E+01 volume -0.75000E+00 ppm1 3.900 ppm2 1.234 ASSI ( (( segid " " and resid 1518 and name HB1 )) )( (( segid " " and resid 1628 and name HA )) ) 5.000 5.000 0.000 peak 9636 weight 0.10000E+01 volume 0.42900E+00 ppm1 2.150 ppm2 4.948 ASSI ( (( segid " " and resid 1518 and name HB2 )) )( (( segid " " and resid 1628 and name HA )) ) 5.000 5.000 0.000 peak 9635 weight 0.10000E+01 volume 0.55300E+00 ppm1 1.697 ppm2 4.949 ASSI ( (( segid " " and resid 1520 and name HA )) )( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) ) 5.000 5.000 0.000 peak 6872 weight 0.10000E+01 volume -0.31900E+00 ppm1 4.165 ppm2 6.851 ASSI ( (( segid " " and resid 1521 and name HA )) )( (( segid " " and resid 1521 and name HG )) ) 5.000 5.000 0.000 peak 9539 weight 0.10000E+01 volume -0.48900E+00 ppm1 1.587 ppm2 1.227 ASSI ( (( segid " " and resid 1521 and name HB2 )) )( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) ) 5.000 5.000 0.000 peak 9556 weight 0.10000E+01 volume 0.46900E+00 ppm1 1.087 ppm2 0.587 ASSI ( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) )( (( segid " " and resid 1631 and name HD1 )) ) 5.000 5.000 0.000 peak 6801 weight 0.10000E+01 volume 0.37100E+00 ppm1 0.582 ppm2 3.644 ASSI ( (( segid " " and resid 1522 and name HB1 )) )( (( segid " " and resid 1519 and name HB2 )) ) 5.000 5.000 0.000 peak 9525 weight 0.10000E+01 volume 0.85400E+00 ppm1 3.214 ppm2 1.881 ASSI ( (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) )( (( segid " " and resid 1523 and name HB2 )) ) 3.300 3.300 0.000 peak 9505 weight 0.10000E+01 volume 0.16010E+01 ppm1 1.058 ppm2 1.720 ASSI ( (( segid " " and resid 1525 and name HB )) )( (( segid " " and resid 1525 and name HG12)) ) 3.300 3.300 0.000 peak 7391 weight 0.10000E+01 volume 0.23320E+01 ppm1 1.959 ppm2 0.991 ASSI ( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) )( (( segid " " and resid 1525 and name HA )) ) 5.000 5.000 0.000 peak 9487 weight 0.10000E+01 volume 0.59600E+00 ppm1 1.113 ppm2 4.203 ASSI ( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) )( (( segid " " and resid 1525 and name HB )) ) 3.300 3.300 0.000 peak 9485 weight 0.10000E+01 volume 0.17200E+01 ppm1 1.113 ppm2 1.977 ASSI ( (( segid " " and resid 1525 and name HG12)) )( (( segid " " and resid 1525 and name HA )) ) 5.000 5.000 0.000 peak 9475 weight 0.10000E+01 volume 0.75500E+00 ppm1 1.003 ppm2 4.206 ASSI ( (( segid " " and resid 1527 and name HA )) )( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) ) 2.700 2.700 0.000 peak 4657 weight 0.10000E+01 volume -0.31600E+01 ppm1 3.822 ppm2 1.519 ASSI ( (( segid " " and resid 1527 and name HA )) )( (( segid " " and resid 1649 and name HB2 )) ) 5.000 5.000 0.000 peak 9445 weight 0.10000E+01 volume -0.39400E+00 ppm1 3.827 ppm2 3.102 ASSI ( (( segid " " and resid 1529 and name HB )) )( (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) ) 2.700 2.700 0.000 peak 9433 weight 0.10000E+01 volume -0.35290E+01 ppm1 4.123 ppm2 1.214 ASSI ( (( segid " " and resid 1531 and name HE1 )) )( (( segid " " and resid 1653 and name HA )) ) 5.000 5.000 0.000 peak 9404 weight 0.10000E+01 volume 0.33800E+00 ppm1 2.955 ppm2 3.827 ASSI ( (( segid " " and resid 1532 and name HB2 )) )( (( segid " " and resid 1532 and name HG1 )) ) 3.300 3.300 0.000 peak 9359 weight 0.10000E+01 volume 0.17960E+01 ppm1 2.018 ppm2 2.524 ASSI ( (( segid " " and resid 1533 and name HA )) )( (( segid " " and resid 1536 and name HG2 )) ) 5.000 5.000 0.000 peak 9328 weight 0.10000E+01 volume -0.60000E+00 ppm1 3.753 ppm2 1.656 ASSI ( (( segid " " and resid 1533 and name HA )) )( (( segid " " and resid 1533 and name HB )) ) 3.300 3.300 0.000 peak 7394 weight 0.10000E+01 volume -0.17970E+01 ppm1 3.567 ppm2 3.747 ASSI ( (( segid " " and resid 1536 and name HG1 )) )( (( segid " " and resid 1536 and name HD2 )) OR (( segid " " and resid 1536 and name HD1 )) ) 3.300 3.300 0.000 peak 9281 weight 0.10000E+01 volume 0.20690E+01 ppm1 2.052 ppm2 1.786 ASSI ( (( segid " " and resid 1537 and name HA )) )( (( segid " " and resid 1537 and name HD1 )) ) 5.000 5.000 0.000 peak 9229 weight 0.10000E+01 volume -0.63900E+00 ppm1 4.263 ppm2 3.900 ASSI ( (( segid " " and resid 1537 and name HD2 )) )( (( segid " " and resid 1537 and name HA )) ) 5.000 5.000 0.000 peak 9232 weight 0.10000E+01 volume -0.37800E+00 ppm1 3.834 ppm2 4.280 ASSI ( (( segid " " and resid 1537 and name HD2 )) )( (( segid " " and resid 1537 and name HB1 )) ) 5.000 5.000 0.000 peak 9260 weight 0.10000E+01 volume -0.39200E+00 ppm1 3.831 ppm2 2.326 ASSI ( (( segid " " and resid 1539 and name HA )) )( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) ) 3.300 3.300 0.000 peak 9164 weight 0.10000E+01 volume -0.16030E+01 ppm1 3.936 ppm2 0.520 ASSI ( (( segid " " and resid 1539 and name HA )) )( (( segid " " and resid 1604 and name HA )) ) 5.000 5.000 0.000 peak 7341 weight 0.10000E+01 volume -0.66100E+00 ppm1 3.934 ppm2 4.653 ASSI ( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) )( (( segid " " and resid 1539 and name HG12)) ) 3.300 3.300 0.000 peak 9204 weight 0.10000E+01 volume 0.23820E+01 ppm1 0.525 ppm2 1.237 ASSI ( (( segid " " and resid 1541 and name HA )) )( (( segid " " and resid 1541 and name HB2 )) OR (( segid " " and resid 1541 and name HB1 )) ) 3.300 3.300 0.000 peak 9124 weight 0.10000E+01 volume -0.16460E+01 ppm1 4.558 ppm2 2.576 ASSI ( (( segid " " and resid 1541 and name HB2 )) )( (( segid " " and resid 1541 and name HD2 )) ) 5.000 5.000 0.000 peak 7565 weight 0.10000E+01 volume 0.41100E+00 ppm1 2.552 ppm2 5.448 ASSI ( (( segid " " and resid 1541 and name HE1 )) )( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) ) 5.000 5.000 0.000 peak 9707 weight 0.10000E+01 volume 0.30400E+00 ppm1 7.145 ppm2 0.891 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1567 and name HB2 )) ) 3.300 3.300 0.000 peak 8282 weight 0.10000E+01 volume 0.16110E+01 ppm1 1.412 ppm2 2.621 ASSI ( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) )( (( segid " " and resid 1602 and name HA )) ) 5.000 5.000 0.000 peak 8273 weight 0.10000E+01 volume 0.11990E+01 ppm1 1.413 ppm2 4.998 ASSI ( (( segid " " and resid 1543 and name HB2 )) )( (( segid " " and resid 1543 and name HD2 )) OR (( segid " " and resid 1543 and name HD1 )) ) 5.000 5.000 0.000 peak 9111 weight 0.10000E+01 volume 0.33200E+00 ppm1 2.987 ppm2 6.879 ASSI ( (( segid " " and resid 1544 and name HA )) )( (( segid " " and resid 1544 and name HN )) ) 5.000 5.000 0.000 peak 9051 weight 0.10000E+01 volume -0.34700E+00 ppm1 5.670 ppm2 8.523 ASSI ( (( segid " " and resid 1544 and name HB2 )) )( (( segid " " and resid 1544 and name HD2 )) ) 6.000 6.000 0.000 peak 9061 weight 0.10000E+01 volume 0.29400E+00 ppm1 1.419 ppm2 0.389 ASSI ( (( segid " " and resid 1546 and name HA )) )( (( segid " " and resid 1598 and name HB2 )) ) 5.000 5.000 0.000 peak 8977 weight 0.10000E+01 volume -0.74200E+00 ppm1 5.348 ppm2 1.782 ASSI ( (( segid " " and resid 1546 and name HB1 )) )( (( segid " " and resid 1564 and name HG )) ) 5.000 5.000 0.000 peak 8991 weight 0.10000E+01 volume -0.50800E+00 ppm1 3.778 ppm2 1.535 ASSI ( (( segid " " and resid 1546 and name HB2 )) )( (( segid " " and resid 1564 and name HG )) ) 5.000 5.000 0.000 peak 8992 weight 0.10000E+01 volume -0.42100E+00 ppm1 3.663 ppm2 1.535 ASSI ( (( segid " " and resid 1546 and name HB1 )) )( (( segid " " and resid 1598 and name HG1 )) ) 5.000 5.000 0.000 peak 8996 weight 0.10000E+01 volume -0.34500E+00 ppm1 3.778 ppm2 2.574 ASSI ( (( segid " " and resid 1547 and name HA )) )( (( segid " " and resid 1547 and name HB )) ) 6.000 6.000 0.000 peak 8889 weight 0.10000E+01 volume -0.28800E+00 ppm1 4.536 ppm2 2.870 ASSI ( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) )( (( segid " " and resid 1595 and name HA )) ) 3.300 3.300 0.000 peak 8929 weight 0.10000E+01 volume 0.15030E+01 ppm1 1.028 ppm2 3.731 ASSI ( (( segid " " and resid 1548 and name HA )) )( (( segid " " and resid 1548 and name HB )) ) 3.300 3.300 0.000 peak 8872 weight 0.10000E+01 volume -0.21730E+01 ppm1 4.624 ppm2 4.207 ASSI ( (( segid " " and resid 1548 and name HA )) )( (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) ) 3.300 3.300 0.000 peak 8873 weight 0.10000E+01 volume -0.24310E+01 ppm1 4.622 ppm2 1.271 ASSI ( (( segid " " and resid 1549 and name HA )) )( (( segid " " and resid 1549 and name HB2 )) OR (( segid " " and resid 1549 and name HB1 )) ) 2.700 2.700 0.000 peak 8864 weight 0.10000E+01 volume -0.36940E+01 ppm1 4.687 ppm2 3.887 ASSI ( (( segid " " and resid 1549 and name HA )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) ) 5.000 5.000 0.000 peak 8866 weight 0.10000E+01 volume -0.10620E+01 ppm1 4.689 ppm2 1.336 ASSI ( (( segid " " and resid 1549 and name HB2 )) OR (( segid " " and resid 1549 and name HB1 )) )( (( segid " " and resid 1560 and name HB2 )) ) 5.000 5.000 0.000 peak 4183 weight 0.10000E+01 volume -0.94000E+00 ppm1 3.878 ppm2 1.681 ASSI ( (( segid " " and resid 1550 and name HA )) )( (( segid " " and resid 1550 and name HB )) ) 5.000 5.000 0.000 peak 8840 weight 0.10000E+01 volume -0.57500E+00 ppm1 4.681 ppm2 1.681 ASSI ( (( segid " " and resid 1550 and name HA )) )( (( segid " " and resid 1550 and name HG11)) ) 5.000 5.000 0.000 peak 8841 weight 0.10000E+01 volume -0.69000E+00 ppm1 4.685 ppm2 1.526 ASSI ( (( segid " " and resid 1550 and name HA )) )( (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) ) 5.000 5.000 0.000 peak 8842 weight 0.10000E+01 volume -0.11820E+01 ppm1 4.685 ppm2 0.618 ASSI ( (( segid " " and resid 1550 and name HG11)) )( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) ) 5.000 5.000 0.000 peak 8849 weight 0.10000E+01 volume 0.46300E+00 ppm1 1.522 ppm2 6.682 ASSI ( (( segid " " and resid 1551 and name HA )) )( (( segid " " and resid 1551 and name HG23)) OR (( segid " " and resid 1551 and name HG22)) OR (( segid " " and resid 1551 and name HG21)) ) 2.700 2.700 0.000 peak 8830 weight 0.10000E+01 volume -0.30700E+01 ppm1 4.606 ppm2 1.188 ASSI ( (( segid " " and resid 1553 and name HA )) )( (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) ) 5.000 5.000 0.000 peak 6393 weight 0.10000E+01 volume -0.55500E+00 ppm1 4.637 ppm2 0.904 ASSI ( (( segid " " and resid 1553 and name HB1 )) )( (( segid " " and resid 1553 and name HA )) ) 3.300 3.300 0.000 peak 8812 weight 0.10000E+01 volume 0.15010E+01 ppm1 2.158 ppm2 4.647 ASSI ( (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) )( (( segid " " and resid 1553 and name HA )) ) 3.300 3.300 0.000 peak 8817 weight 0.10000E+01 volume 0.22860E+01 ppm1 2.172 ppm2 4.642 ASSI ( (( segid " " and resid 1554 and name HA )) )( (( segid " " and resid 1554 and name HB2 )) OR (( segid " " and resid 1554 and name HB1 )) ) 2.700 2.700 0.000 peak 8803 weight 0.10000E+01 volume -0.39690E+01 ppm1 4.289 ppm2 2.968 ASSI ( (( segid " " and resid 1555 and name HB )) )( (( segid " " and resid 1555 and name HA )) ) 3.300 3.300 0.000 peak 8780 weight 0.10000E+01 volume 0.15840E+01 ppm1 2.022 ppm2 4.107 ASSI ( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) )( (( segid " " and resid 1556 and name HE2 )) OR (( segid " " and resid 1556 and name HE1 )) ) 5.000 5.000 0.000 peak 8801 weight 0.10000E+01 volume 0.40400E+00 ppm1 0.518 ppm2 7.320 ASSI ( (( segid " " and resid 1556 and name HA )) )( (( segid " " and resid 1585 and name HA )) ) 3.300 3.300 0.000 peak 5127 weight 0.10000E+01 volume -0.15530E+01 ppm1 5.426 ppm2 4.653 ASSI ( (( segid " " and resid 1556 and name HE2 )) OR (( segid " " and resid 1556 and name HE1 )) )( (( segid " " and resid 1556 and name HA )) ) 6.000 6.000 0.000 peak 7869 weight 0.10000E+01 volume -0.14400E+00 ppm1 7.329 ppm2 5.443 ASSI ( (( segid " " and resid 1556 and name HE2 )) OR (( segid " " and resid 1556 and name HE1 )) )( (( segid " " and resid 1556 and name HB2 )) ) 6.000 6.000 0.000 peak 7870 weight 0.10000E+01 volume -0.27300E+00 ppm1 7.329 ppm2 2.818 ASSI ( (( segid " " and resid 1557 and name HA )) )( (( segid " " and resid 1557 and name HB )) ) 5.000 5.000 0.000 peak 8708 weight 0.10000E+01 volume -0.34700E+00 ppm1 4.423 ppm2 1.732 ASSI ( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) )( (( segid " " and resid 1557 and name HB )) ) 3.300 3.300 0.000 peak 8751 weight 0.10000E+01 volume 0.18700E+01 ppm1 0.393 ppm2 1.735 ASSI ( (( segid " " and resid 1558 and name HA )) )( (( segid " " and resid 1558 and name HB2 )) OR (( segid " " and resid 1558 and name HB1 )) ) 5.000 5.000 0.000 peak 8663 weight 0.10000E+01 volume -0.13330E+01 ppm1 5.192 ppm2 1.562 ASSI ( (( segid " " and resid 1558 and name HA )) )( (( segid " " and resid 1558 and name HN )) ) 5.000 5.000 0.000 peak 8659 weight 0.10000E+01 volume -0.35200E+00 ppm1 5.201 ppm2 8.957 ASSI ( (( segid " " and resid 1558 and name HB1 )) )( (( segid " " and resid 1558 and name HA )) ) 5.000 5.000 0.000 peak 8666 weight 0.10000E+01 volume 0.37900E+00 ppm1 1.637 ppm2 5.196 ASSI ( (( segid " " and resid 1558 and name HB2 )) )( (( segid " " and resid 1558 and name HA )) ) 5.000 5.000 0.000 peak 8667 weight 0.10000E+01 volume 0.38600E+00 ppm1 1.563 ppm2 5.195 ASSI ( (( segid " " and resid 1558 and name HE2 )) )( (( segid " " and resid 1558 and name HG1 )) ) 5.000 5.000 0.000 peak 8771 weight 0.10000E+01 volume 0.83100E+00 ppm1 2.659 ppm2 1.287 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1550 and name HA )) ) 5.000 5.000 0.000 peak 8644 weight 0.10000E+01 volume -0.11730E+01 ppm1 6.904 ppm2 4.701 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1558 and name HA )) ) 5.000 5.000 0.000 peak 2149 weight 0.10000E+01 volume -0.43200E+00 ppm1 6.908 ppm2 5.199 ASSI ( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) )( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) ) 5.000 5.000 0.000 peak 7727 weight 0.10000E+01 volume -0.34600E+00 ppm1 6.906 ppm2 -0.255 ASSI ( (( segid " " and resid 1560 and name HB1 )) )( (( segid " " and resid 1560 and name HE2 )) OR (( segid " " and resid 1560 and name HE1 )) ) 5.000 5.000 0.000 peak 8603 weight 0.10000E+01 volume 0.49100E+00 ppm1 1.864 ppm2 2.834 ASSI ( (( segid " " and resid 1560 and name HD1 )) )( (( segid " " and resid 1560 and name HA )) ) 5.000 5.000 0.000 peak 8605 weight 0.10000E+01 volume 0.47000E+00 ppm1 1.668 ppm2 5.295 ASSI ( (( segid " " and resid 1560 and name HD2 )) )( (( segid " " and resid 1560 and name HA )) ) 5.000 5.000 0.000 peak 8607 weight 0.10000E+01 volume 0.38200E+00 ppm1 1.504 ppm2 5.295 ASSI ( (( segid " " and resid 1560 and name HD1 )) )( (( segid " " and resid 1560 and name HE2 )) OR (( segid " " and resid 1560 and name HE1 )) ) 3.300 3.300 0.000 peak 8609 weight 0.10000E+01 volume 0.17870E+01 ppm1 1.668 ppm2 2.838 ASSI ( (( segid " " and resid 1560 and name HG2 )) OR (( segid " " and resid 1560 and name HG1 )) )( (( segid " " and resid 1560 and name HE2 )) OR (( segid " " and resid 1560 and name HE1 )) ) 3.300 3.300 0.000 peak 8616 weight 0.10000E+01 volume 0.17400E+01 ppm1 1.420 ppm2 2.860 ASSI ( (( segid " " and resid 1561 and name HA )) )( (( segid " " and resid 1562 and name HB )) ) 6.000 6.000 0.000 peak 8565 weight 0.10000E+01 volume -0.26200E+00 ppm1 5.601 ppm2 3.827 ASSI ( (( segid " " and resid 1562 and name HA )) )( (( segid " " and resid 1561 and name HA )) ) 5.000 5.000 0.000 peak 8523 weight 0.10000E+01 volume -0.31500E+00 ppm1 4.742 ppm2 5.593 ASSI ( (( segid " " and resid 1562 and name HA )) )( (( segid " " and resid 1562 and name HB )) ) 5.000 5.000 0.000 peak 8525 weight 0.10000E+01 volume -0.75000E+00 ppm1 4.744 ppm2 3.829 ASSI ( (( segid " " and resid 1562 and name HA )) )( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) ) 3.300 3.300 0.000 peak 8526 weight 0.10000E+01 volume -0.22940E+01 ppm1 4.746 ppm2 1.065 ASSI ( (( segid " " and resid 1562 and name HA )) )( (( segid " " and resid 1562 and name HN )) ) 5.000 5.000 0.000 peak 8522 weight 0.10000E+01 volume -0.34800E+00 ppm1 4.746 ppm2 9.101 ASSI ( (( segid " " and resid 1562 and name HA )) )( (( segid " " and resid 1579 and name HA )) ) 3.300 3.300 0.000 peak 8524 weight 0.10000E+01 volume -0.19690E+01 ppm1 4.745 ppm2 5.297 ASSI ( (( segid " " and resid 1562 and name HA )) )( (( segid " " and resid 1579 and name HB2 )) OR (( segid " " and resid 1579 and name HB1 )) ) 5.000 5.000 0.000 peak 8080 weight 0.10000E+01 volume -0.57400E+00 ppm1 4.743 ppm2 1.942 ASSI ( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) )( (( segid " " and resid 1564 and name HA )) ) 3.300 3.300 0.000 peak 8533 weight 0.10000E+01 volume 0.20840E+01 ppm1 1.062 ppm2 4.305 ASSI ( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) )( (( segid " " and resid 1577 and name HA )) ) 2.700 2.700 0.000 peak 8536 weight 0.10000E+01 volume 0.31900E+01 ppm1 1.064 ppm2 4.159 ASSI ( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) )( (( segid " " and resid 1579 and name HA )) ) 5.000 5.000 0.000 peak 8076 weight 0.10000E+01 volume 0.35000E+00 ppm1 1.063 ppm2 5.297 ASSI ( (( segid " " and resid 1563 and name HA )) )( (( segid " " and resid 1563 and name HB1 )) ) 5.000 5.000 0.000 peak 8479 weight 0.10000E+01 volume -0.67900E+00 ppm1 4.201 ppm2 1.834 ASSI ( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) )( (( segid " " and resid 1563 and name HA )) ) 3.300 3.300 0.000 peak 8506 weight 0.10000E+01 volume 0.15080E+01 ppm1 0.128 ppm2 4.201 ASSI ( (( segid " " and resid 1564 and name HA )) )( (( segid " " and resid 1564 and name HN )) ) 5.000 5.000 0.000 peak 8430 weight 0.10000E+01 volume -0.36500E+00 ppm1 4.306 ppm2 8.744 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) )( (( segid " " and resid 1546 and name HB2 )) ) 5.000 5.000 0.000 peak 8466 weight 0.10000E+01 volume 0.52600E+00 ppm1 0.753 ppm2 3.662 ASSI ( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) )( (( segid " " and resid 1564 and name HB2 )) OR (( segid " " and resid 1564 and name HB1 )) ) 2.700 2.700 0.000 peak 8460 weight 0.10000E+01 volume 0.32630E+01 ppm1 0.754 ppm2 1.286 ASSI ( (( segid " " and resid 1565 and name HA )) )( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) ) 5.000 5.000 0.000 peak 8409 weight 0.10000E+01 volume -0.85200E+00 ppm1 4.580 ppm2 0.644 ASSI ( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) )( (( segid " " and resid 1544 and name HN )) ) 5.000 5.000 0.000 peak 8416 weight 0.10000E+01 volume 0.44700E+00 ppm1 2.132 ppm2 8.544 ASSI ( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) )( (( segid " " and resid 1545 and name HA )) ) 6.000 6.000 0.000 peak 8414 weight 0.10000E+01 volume 0.26500E+00 ppm1 2.125 ppm2 5.693 ASSI ( (( segid " " and resid 1567 and name HB1 )) )( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) ) 5.000 5.000 0.000 peak 8329 weight 0.10000E+01 volume 0.56300E+00 ppm1 3.212 ppm2 1.413 ASSI ( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) )( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) ) 5.000 5.000 0.000 peak 8335 weight 0.10000E+01 volume -0.86000E+00 ppm1 6.665 ppm2 1.409 ASSI ( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) )( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) ) 5.000 5.000 0.000 peak 8334 weight 0.10000E+01 volume -0.33900E+00 ppm1 6.664 ppm2 2.130 ASSI ( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) )( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) ) 5.000 5.000 0.000 peak 8337 weight 0.10000E+01 volume -0.10380E+01 ppm1 6.662 ppm2 1.193 ASSI ( (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) )( (( segid " " and resid 1567 and name HA )) ) 5.000 5.000 0.000 peak 8343 weight 0.10000E+01 volume 0.37500E+00 ppm1 6.709 ppm2 4.800 ASSI ( (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) )( (( segid " " and resid 1567 and name HN )) ) 5.000 5.000 0.000 peak 8345 weight 0.10000E+01 volume 0.40800E+00 ppm1 6.702 ppm2 8.561 ASSI ( (( segid " " and resid 1568 and name HD1 )) )( (( segid " " and resid 1568 and name HA )) ) 5.000 5.000 0.000 peak 8313 weight 0.10000E+01 volume 0.48700E+00 ppm1 1.521 ppm2 4.563 ASSI ( (( segid " " and resid 1569 and name HA )) )( (( segid " " and resid 1541 and name HA )) ) 5.000 5.000 0.000 peak 8252 weight 0.10000E+01 volume -0.11010E+01 ppm1 4.827 ppm2 4.554 ASSI ( (( segid " " and resid 1569 and name HA )) )( (( segid " " and resid 1541 and name HB1 )) ) 5.000 5.000 0.000 peak 8254 weight 0.10000E+01 volume -0.84500E+00 ppm1 4.824 ppm2 2.612 ASSI ( (( segid " " and resid 1569 and name HA )) )( (( segid " " and resid 1541 and name HB2 )) ) 5.000 5.000 0.000 peak 8253 weight 0.10000E+01 volume -0.80200E+00 ppm1 4.824 ppm2 2.536 ASSI ( (( segid " " and resid 1569 and name HA )) )( (( segid " " and resid 1569 and name HB )) ) 3.300 3.300 0.000 peak 8250 weight 0.10000E+01 volume -0.15890E+01 ppm1 4.824 ppm2 4.306 ASSI ( (( segid " " and resid 1569 and name HA )) )( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) ) 3.300 3.300 0.000 peak 8255 weight 0.10000E+01 volume -0.18900E+01 ppm1 4.824 ppm2 1.386 ASSI ( (( segid " " and resid 1569 and name HB )) )( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) ) 6.000 6.000 0.000 peak 8265 weight 0.10000E+01 volume -0.16800E+00 ppm1 4.306 ppm2 0.644 ASSI ( (( segid " " and resid 1570 and name HA1 )) )( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 5.000 5.000 0.000 peak 8246 weight 0.10000E+01 volume 0.57700E+00 ppm1 4.676 ppm2 1.633 ASSI ( (( segid " " and resid 1571 and name HA )) )( (( segid " " and resid 1571 and name HB2 )) ) 2.700 2.700 0.000 peak 8238 weight 0.10000E+01 volume -0.34510E+01 ppm1 4.059 ppm2 1.833 ASSI ( (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB2 )) OR (( segid " " and resid 1572 and name HB1 )) )( (( segid " " and resid 1572 and name HA )) ) 2.700 2.700 0.000 peak 8230 weight 0.10000E+01 volume 0.30700E+01 ppm1 0.647 ppm2 3.623 ASSI ( (( segid " " and resid 1573 and name HA )) )( (( segid " " and resid 1573 and name HG23)) OR (( segid " " and resid 1573 and name HG22)) OR (( segid " " and resid 1573 and name HG21)) ) 3.300 3.300 0.000 peak 8206 weight 0.10000E+01 volume -0.18860E+01 ppm1 3.764 ppm2 0.891 ASSI ( (( segid " " and resid 1573 and name HB )) )( (( segid " " and resid 1572 and name HA )) ) 5.000 5.000 0.000 peak 8212 weight 0.10000E+01 volume 0.56000E+00 ppm1 1.982 ppm2 3.613 ASSI ( (( segid " " and resid 1573 and name HB )) )( (( segid " " and resid 1573 and name HA )) ) 3.300 3.300 0.000 peak 8210 weight 0.10000E+01 volume 0.23600E+01 ppm1 1.983 ppm2 3.763 ASSI ( (( segid " " and resid 1574 and name HA )) )( (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1574 and name HB1 )) ) 2.700 2.700 0.000 peak 8179 weight 0.10000E+01 volume -0.30330E+01 ppm1 4.447 ppm2 1.089 ASSI ( (( segid " " and resid 1575 and name HB2 )) )( (( segid " " and resid 1575 and name HG2 )) OR (( segid " " and resid 1575 and name HG1 )) ) 2.700 2.700 0.000 peak 8173 weight 0.10000E+01 volume 0.30510E+01 ppm1 1.756 ppm2 2.172 ASSI ( (( segid " " and resid 1577 and name HA )) )( (( segid " " and resid 1577 and name HB1 )) ) 3.300 3.300 0.000 peak 8117 weight 0.10000E+01 volume -0.16670E+01 ppm1 4.161 ppm2 2.992 ASSI ( (( segid " " and resid 1577 and name HB2 )) )( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) ) 6.000 6.000 0.000 peak 8127 weight 0.10000E+01 volume 0.18800E+00 ppm1 2.838 ppm2 1.057 ASSI ( (( segid " " and resid 1578 and name HA )) )( (( segid " " and resid 1578 and name HB1 )) ) 3.300 3.300 0.000 peak 8100 weight 0.10000E+01 volume -0.27800E+01 ppm1 4.527 ppm2 4.009 ASSI ( (( segid " " and resid 1580 and name HA )) )( (( segid " " and resid 1580 and name HG12)) ) 6.000 6.000 0.000 peak 8036 weight 0.10000E+01 volume -0.15100E+00 ppm1 4.808 ppm2 0.795 ASSI ( (( segid " " and resid 1580 and name HA )) )( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) ) 3.300 3.300 0.000 peak 8037 weight 0.10000E+01 volume -0.15180E+01 ppm1 4.806 ppm2 0.669 ASSI ( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) )( (( segid " " and resid 1580 and name HA )) ) 5.000 5.000 0.000 peak 8055 weight 0.10000E+01 volume 0.41500E+00 ppm1 0.197 ppm2 4.801 ASSI ( (( segid " " and resid 1581 and name HB )) )( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) ) 2.700 2.700 0.000 peak 8837 weight 0.10000E+01 volume -0.42990E+01 ppm1 3.977 ppm2 1.091 ASSI ( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) )( (( segid " " and resid 1583 and name HA )) ) 5.000 5.000 0.000 peak 8030 weight 0.10000E+01 volume 0.45500E+00 ppm1 1.101 ppm2 5.790 ASSI ( (( segid " " and resid 1582 and name HB2 )) )( (( segid " " and resid 1582 and name HA )) ) 6.000 6.000 0.000 peak 8003 weight 0.10000E+01 volume 0.29400E+00 ppm1 3.035 ppm2 5.988 ASSI ( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) )( (( segid " " and resid 1582 and name HN )) ) 5.000 5.000 0.000 peak 8005 weight 0.10000E+01 volume -0.35100E+00 ppm1 7.168 ppm2 9.409 ASSI ( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) )( (( segid " " and resid 1582 and name HB2 )) ) 5.000 5.000 0.000 peak 5080 weight 0.10000E+01 volume -0.45400E+00 ppm1 7.166 ppm2 3.019 ASSI ( (( segid " " and resid 1583 and name HB )) )( (( segid " " and resid 1558 and name HA )) ) 6.000 6.000 0.000 peak 7926 weight 0.10000E+01 volume 0.25100E+00 ppm1 1.429 ppm2 5.195 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1558 and name HA )) ) 6.000 6.000 0.000 peak 7984 weight 0.10000E+01 volume 0.25200E+00 ppm1 0.220 ppm2 5.192 ASSI ( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) )( (( segid " " and resid 1583 and name HA )) ) 6.000 6.000 0.000 peak 7985 weight 0.10000E+01 volume 0.21700E+00 ppm1 0.221 ppm2 5.790 ASSI ( (( segid " " and resid 1583 and name HG12)) )( (( segid " " and resid 1583 and name HA )) ) 6.000 6.000 0.000 peak 7942 weight 0.10000E+01 volume 0.16400E+00 ppm1 0.837 ppm2 5.790 ASSI ( (( segid " " and resid 1583 and name HG11)) )( (( segid " " and resid 1583 and name HG12)) ) 3.300 3.300 0.000 peak 7937 weight 0.10000E+01 volume 0.27160E+01 ppm1 1.492 ppm2 0.841 ASSI ( (( segid " " and resid 1583 and name HG11)) )( (( segid " " and resid 1620 and name HA )) ) 5.000 5.000 0.000 peak 6883 weight 0.10000E+01 volume 0.50600E+00 ppm1 1.486 ppm2 4.996 ASSI ( (( segid " " and resid 1584 and name HA )) )( (( segid " " and resid 1584 and name HG1 )) ) 5.000 5.000 0.000 peak 7882 weight 0.10000E+01 volume -0.46900E+00 ppm1 5.163 ppm2 1.797 ASSI ( (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) )( (( segid " " and resid 1584 and name HE1 )) ) 5.000 5.000 0.000 peak 7887 weight 0.10000E+01 volume 0.53400E+00 ppm1 2.055 ppm2 3.169 ASSI ( (( segid " " and resid 1584 and name HE1 )) )( (( segid " " and resid 1584 and name HG2 )) ) 5.000 5.000 0.000 peak 6449 weight 0.10000E+01 volume 0.37100E+00 ppm1 3.178 ppm2 1.596 ASSI ( (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) )( (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) ) 5.000 5.000 0.000 peak 7856 weight 0.10000E+01 volume 0.64500E+00 ppm1 2.030 ppm2 2.996 ASSI ( (( segid " " and resid 1585 and name HG1 )) )( (( segid " " and resid 1585 and name HA )) ) 5.000 5.000 0.000 peak 7863 weight 0.10000E+01 volume 0.45100E+00 ppm1 1.761 ppm2 4.653 ASSI ( (( segid " " and resid 1585 and name HG1 )) )( (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) ) 3.300 3.300 0.000 peak 7874 weight 0.10000E+01 volume 0.15100E+01 ppm1 1.760 ppm2 2.031 ASSI ( (( segid " " and resid 1586 and name HA )) )( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) ) 2.700 2.700 0.000 peak 7841 weight 0.10000E+01 volume -0.34350E+01 ppm1 3.796 ppm2 0.905 ASSI ( (( segid " " and resid 1592 and name HG1 )) )( (( segid " " and resid 1592 and name HA )) ) 3.300 3.300 0.000 peak 7763 weight 0.10000E+01 volume 0.18330E+01 ppm1 2.119 ppm2 4.306 ASSI ( (( segid " " and resid 1593 and name HB2 )) )( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) ) 5.000 5.000 0.000 peak 7716 weight 0.10000E+01 volume 0.35900E+00 ppm1 0.627 ppm2 -0.252 ASSI ( (( segid " " and resid 1593 and name HB1 )) )( (( segid " " and resid 1593 and name HG )) ) 5.000 5.000 0.000 peak 7711 weight 0.10000E+01 volume 0.71900E+00 ppm1 0.825 ppm2 0.495 ASSI ( (( segid " " and resid 1593 and name HB2 )) )( (( segid " " and resid 1593 and name HG )) ) 5.000 5.000 0.000 peak 7710 weight 0.10000E+01 volume 0.10790E+01 ppm1 0.623 ppm2 0.495 ASSI ( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) )( (( segid " " and resid 1593 and name HA )) ) 5.000 5.000 0.000 peak 7733 weight 0.10000E+01 volume 0.35900E+00 ppm1 -0.262 ppm2 3.959 ASSI ( (( segid " " and resid 1594 and name HA )) )( (( segid " " and resid 1594 and name HB )) ) 5.000 5.000 0.000 peak 7676 weight 0.10000E+01 volume -0.90900E+00 ppm1 4.038 ppm2 1.795 ASSI ( (( segid " " and resid 1594 and name HA )) )( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) ) 3.300 3.300 0.000 peak 7677 weight 0.10000E+01 volume -0.21120E+01 ppm1 4.040 ppm2 0.890 ASSI ( (( segid " " and resid 1594 and name HA )) )( (( segid " " and resid 1594 and name HG23)) OR (( segid " " and resid 1594 and name HG22)) OR (( segid " " and resid 1594 and name HG21)) ) 2.700 2.700 0.000 peak 7678 weight 0.10000E+01 volume -0.40440E+01 ppm1 4.039 ppm2 0.989 ASSI ( (( segid " " and resid 1594 and name HG23)) OR (( segid " " and resid 1594 and name HG22)) OR (( segid " " and resid 1594 and name HG21)) )( (( segid " " and resid 1597 and name HD2 )) ) 5.000 5.000 0.000 peak 7434 weight 0.10000E+01 volume 0.31800E+00 ppm1 0.984 ppm2 2.530 ASSI ( (( segid " " and resid 1595 and name HB2 )) )( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) ) 5.000 5.000 0.000 peak 7665 weight 0.10000E+01 volume 0.79000E+00 ppm1 1.691 ppm2 1.087 ASSI ( (( segid " " and resid 1595 and name HB2 )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) ) 3.300 3.300 0.000 peak 7661 weight 0.10000E+01 volume 0.15840E+01 ppm1 1.692 ppm2 1.335 ASSI ( (( segid " " and resid 1595 and name HD2 )) OR (( segid " " and resid 1595 and name HD1 )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) ) 5.000 5.000 0.000 peak 7675 weight 0.10000E+01 volume 0.11860E+01 ppm1 1.814 ppm2 1.335 ASSI ( (( segid " " and resid 1597 and name HA )) )( (( segid " " and resid 1597 and name HB1 )) ) 5.000 5.000 0.000 peak 7454 weight 0.10000E+01 volume -0.96900E+00 ppm1 4.593 ppm2 2.253 ASSI ( (( segid " " and resid 1597 and name HB1 )) )( (( segid " " and resid 1594 and name HG23)) OR (( segid " " and resid 1594 and name HG22)) OR (( segid " " and resid 1594 and name HG21)) ) 5.000 5.000 0.000 peak 7439 weight 0.10000E+01 volume 0.45700E+00 ppm1 2.248 ppm2 0.989 ASSI ( (( segid " " and resid 1597 and name HD1 )) )( (( segid " " and resid 1594 and name HG23)) OR (( segid " " and resid 1594 and name HG22)) OR (( segid " " and resid 1594 and name HG21)) ) 3.300 3.300 0.000 peak 7426 weight 0.10000E+01 volume 0.17120E+01 ppm1 2.879 ppm2 0.990 ASSI ( (( segid " " and resid 1597 and name HG2 )) )( (( segid " " and resid 1597 and name HA )) ) 5.000 5.000 0.000 peak 7448 weight 0.10000E+01 volume 0.13520E+01 ppm1 1.615 ppm2 4.600 ASSI ( (( segid " " and resid 1598 and name HB1 )) )( (( segid " " and resid 1546 and name HA )) ) 6.000 6.000 0.000 peak 7604 weight 0.10000E+01 volume 0.78000E-01 ppm1 2.614 ppm2 5.345 ASSI ( (( segid " " and resid 1598 and name HB1 )) )( (( segid " " and resid 1599 and name HN )) ) 6.000 6.000 0.000 peak 7601 weight 0.10000E+01 volume 0.25800E+00 ppm1 2.604 ppm2 8.810 ASSI ( (( segid " " and resid 1598 and name HG1 )) )( (( segid " " and resid 1546 and name HB2 )) ) 5.000 5.000 0.000 peak 7634 weight 0.10000E+01 volume 0.55000E+00 ppm1 2.587 ppm2 3.662 ASSI ( (( segid " " and resid 1598 and name HG1 )) )( (( segid " " and resid 1632 and name HD2 )) OR (( segid " " and resid 1632 and name HD1 )) ) 6.000 6.000 0.000 peak 6743 weight 0.10000E+01 volume 0.16800E+00 ppm1 2.578 ppm2 3.218 ASSI ( (( segid " " and resid 1599 and name HB1 )) )( (( segid " " and resid 1600 and name HN )) ) 5.000 5.000 0.000 peak 4602 weight 0.10000E+01 volume 0.37400E+00 ppm1 2.886 ppm2 9.898 ASSI ( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) )( (( segid " " and resid 1600 and name HA )) ) 5.000 5.000 0.000 peak 7547 weight 0.10000E+01 volume 0.44700E+00 ppm1 0.751 ppm2 5.662 ASSI ( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) )( (( segid " " and resid 1630 and name HE3 )) ) 6.000 6.000 0.000 peak 6839 weight 0.10000E+01 volume 0.29500E+00 ppm1 1.299 ppm2 7.516 ASSI ( (( segid " " and resid 1600 and name HG )) )( (( segid " " and resid 1600 and name HA )) ) 5.000 5.000 0.000 peak 7545 weight 0.10000E+01 volume 0.34400E+00 ppm1 1.648 ppm2 5.644 ASSI ( (( segid " " and resid 1601 and name HG12)) )( (( segid " " and resid 1627 and name HA )) ) 6.000 6.000 0.000 peak 7487 weight 0.10000E+01 volume 0.20400E+00 ppm1 1.027 ppm2 4.899 ASSI ( (( segid " " and resid 1602 and name HG1 )) )( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) ) 5.000 5.000 0.000 peak 7458 weight 0.10000E+01 volume 0.31000E+00 ppm1 2.430 ppm2 3.217 ASSI ( (( segid " " and resid 1603 and name HA1 )) )( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) ) 5.000 5.000 0.000 peak 7364 weight 0.10000E+01 volume 0.53400E+00 ppm1 4.543 ppm2 0.531 ASSI ( (( segid " " and resid 1603 and name HA2 )) )( (( segid " " and resid 1603 and name HA1 )) ) 2.700 2.700 0.000 peak 7358 weight 0.10000E+01 volume 0.30690E+01 ppm1 3.932 ppm2 4.548 ASSI ( (( segid " " and resid 1604 and name HG2 )) OR (( segid " " and resid 1604 and name HG1 )) )( (( segid " " and resid 1604 and name HA )) ) 5.000 5.000 0.000 peak 7351 weight 0.10000E+01 volume 0.75500E+00 ppm1 1.655 ppm2 4.660 ASSI ( (( segid " " and resid 1605 and name HB2 )) )( (( segid " " and resid 1605 and name HG2 )) ) 3.300 3.300 0.000 peak 7330 weight 0.10000E+01 volume 0.19960E+01 ppm1 1.948 ppm2 2.369 ASSI ( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) )( (( segid " " and resid 1617 and name HA )) ) 5.000 5.000 0.000 peak 8869 weight 0.10000E+01 volume 0.33600E+00 ppm1 0.492 ppm2 5.490 ASSI ( (( segid " " and resid 1607 and name HA )) )( (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) ) 3.300 3.300 0.000 peak 7262 weight 0.10000E+01 volume -0.21280E+01 ppm1 4.426 ppm2 0.890 ASSI ( (( segid " " and resid 1607 and name HG )) )( (( segid " " and resid 1607 and name HA )) ) 5.000 5.000 0.000 peak 7283 weight 0.10000E+01 volume 0.50500E+00 ppm1 1.642 ppm2 4.432 ASSI ( (( segid " " and resid 1608 and name HA )) )( (( segid " " and resid 1617 and name HA )) ) 5.000 5.000 0.000 peak 7242 weight 0.10000E+01 volume -0.11410E+01 ppm1 4.605 ppm2 5.490 ASSI ( (( segid " " and resid 1608 and name HB1 )) )( (( segid " " and resid 1608 and name HA )) ) 3.300 3.300 0.000 peak 7246 weight 0.10000E+01 volume 0.15710E+01 ppm1 1.770 ppm2 4.603 ASSI ( (( segid " " and resid 1608 and name HB2 )) )( (( segid " " and resid 1608 and name HA )) ) 5.000 5.000 0.000 peak 7245 weight 0.10000E+01 volume 0.14550E+01 ppm1 1.714 ppm2 4.602 ASSI ( (( segid " " and resid 1608 and name HB1 )) )( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) ) 5.000 5.000 0.000 peak 7248 weight 0.10000E+01 volume 0.52900E+00 ppm1 1.773 ppm2 6.829 ASSI ( (( segid " " and resid 1608 and name HB2 )) )( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) ) 5.000 5.000 0.000 peak 7247 weight 0.10000E+01 volume 0.50900E+00 ppm1 1.712 ppm2 6.829 ASSI ( (( segid " " and resid 1608 and name HG1 )) )( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) ) 5.000 5.000 0.000 peak 7254 weight 0.10000E+01 volume 0.54200E+00 ppm1 1.856 ppm2 6.828 ASSI ( (( segid " " and resid 1609 and name HA )) )( (( segid " " and resid 1609 and name HG12)) ) 5.000 5.000 0.000 peak 7211 weight 0.10000E+01 volume -0.37100E+00 ppm1 4.385 ppm2 1.049 ASSI ( (( segid " " and resid 1610 and name HB1 )) )( (( segid " " and resid 1610 and name HG2 )) OR (( segid " " and resid 1610 and name HG1 )) ) 5.000 5.000 0.000 peak 5012 weight 0.10000E+01 volume 0.58900E+00 ppm1 1.689 ppm2 1.138 ASSI ( (( segid " " and resid 1611 and name HD2 )) OR (( segid " " and resid 1611 and name HD1 )) )( (( segid " " and resid 1611 and name HA )) ) 5.000 5.000 0.000 peak 6539 weight 0.10000E+01 volume -0.57700E+00 ppm1 6.992 ppm2 4.504 ASSI ( (( segid " " and resid 1612 and name HA )) )( (( segid " " and resid 1612 and name HB1 )) ) 5.000 5.000 0.000 peak 7202 weight 0.10000E+01 volume -0.30500E+00 ppm1 4.044 ppm2 2.772 ASSI ( (( segid " " and resid 1612 and name HA )) )( (( segid " " and resid 1612 and name HB2 )) ) 5.000 5.000 0.000 peak 7201 weight 0.10000E+01 volume -0.38100E+00 ppm1 4.053 ppm2 2.586 ASSI ( (( segid " " and resid 1615 and name HA )) )( (( segid " " and resid 1615 and name HB2 )) OR (( segid " " and resid 1615 and name HB1 )) ) 5.000 5.000 0.000 peak 7196 weight 0.10000E+01 volume -0.37200E+00 ppm1 5.298 ppm2 2.673 ASSI ( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) )( (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB2 )) OR (( segid " " and resid 1572 and name HB1 )) ) 5.000 5.000 0.000 peak 7575 weight 0.10000E+01 volume 0.14680E+01 ppm1 6.814 ppm2 0.643 ASSI ( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) )( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) ) 5.000 5.000 0.000 peak 6923 weight 0.10000E+01 volume 0.74800E+00 ppm1 6.814 ppm2 0.494 ASSI ( (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) )( (( segid " " and resid 1618 and name HA )) ) 5.000 5.000 0.000 peak 7146 weight 0.10000E+01 volume 0.53100E+00 ppm1 0.694 ppm2 4.598 ASSI ( (( segid " " and resid 1618 and name HG12)) )( (( segid " " and resid 1618 and name HA )) ) 5.000 5.000 0.000 peak 7141 weight 0.10000E+01 volume 0.45700E+00 ppm1 0.990 ppm2 4.602 ASSI ( (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) )( (( segid " " and resid 1618 and name HA )) ) 5.000 5.000 0.000 peak 7143 weight 0.10000E+01 volume 0.13260E+01 ppm1 0.726 ppm2 4.600 ASSI ( (( segid " " and resid 1619 and name HA )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) ) 5.000 5.000 0.000 peak 7098 weight 0.10000E+01 volume -0.36900E+00 ppm1 4.771 ppm2 6.879 ASSI ( (( segid " " and resid 1619 and name HA )) )( (( segid " " and resid 1620 and name HD1 )) ) 5.000 5.000 0.000 peak 7091 weight 0.10000E+01 volume -0.10490E+01 ppm1 4.759 ppm2 4.159 ASSI ( (( segid " " and resid 1619 and name HB1 )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) ) 5.000 5.000 0.000 peak 7102 weight 0.10000E+01 volume 0.67500E+00 ppm1 2.993 ppm2 6.878 ASSI ( (( segid " " and resid 1619 and name HE2 )) OR (( segid " " and resid 1619 and name HE1 )) )( (( segid " " and resid 1617 and name HB2 )) ) 5.000 5.000 0.000 peak 7123 weight 0.10000E+01 volume 0.30800E+00 ppm1 6.192 ppm2 2.378 ASSI ( (( segid " " and resid 1620 and name HA )) )( (( segid " " and resid 1583 and name HG12)) ) 5.000 5.000 0.000 peak 7060 weight 0.10000E+01 volume -0.73800E+00 ppm1 4.986 ppm2 0.843 ASSI ( (( segid " " and resid 1620 and name HA )) )( (( segid " " and resid 1583 and name HN )) ) 5.000 5.000 0.000 peak 7912 weight 0.10000E+01 volume -0.42400E+00 ppm1 4.989 ppm2 8.610 ASSI ( (( segid " " and resid 1620 and name HD2 )) )( (( segid " " and resid 1619 and name HA )) ) 5.000 5.000 0.000 peak 7090 weight 0.10000E+01 volume -0.84600E+00 ppm1 4.029 ppm2 4.773 ASSI ( (( segid " " and resid 1620 and name HD1 )) )( (( segid " " and resid 1620 and name HG2 )) ) 5.000 5.000 0.000 peak 7082 weight 0.10000E+01 volume -0.90700E+00 ppm1 4.159 ppm2 1.986 ASSI ( (( segid " " and resid 1620 and name HG1 )) )( (( segid " " and resid 1620 and name HA )) ) 5.000 5.000 0.000 peak 7068 weight 0.10000E+01 volume 0.45000E+00 ppm1 2.245 ppm2 4.997 ASSI ( (( segid " " and resid 1620 and name HG1 )) )( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) ) 5.000 5.000 0.000 peak 7085 weight 0.10000E+01 volume 0.41100E+00 ppm1 2.257 ppm2 0.864 ASSI ( (( segid " " and resid 1620 and name HG2 )) )( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) ) 5.000 5.000 0.000 peak 7077 weight 0.10000E+01 volume 0.62800E+00 ppm1 1.992 ppm2 0.886 ASSI ( (( segid " " and resid 1621 and name HB1 )) )( (( segid " " and resid 1621 and name HA )) ) 5.000 5.000 0.000 peak 7026 weight 0.10000E+01 volume 0.36800E+00 ppm1 2.098 ppm2 4.998 ASSI ( (( segid " " and resid 1621 and name HB2 )) )( (( segid " " and resid 1621 and name HA )) ) 5.000 5.000 0.000 peak 7028 weight 0.10000E+01 volume 0.33000E+00 ppm1 1.452 ppm2 5.000 ASSI ( (( segid " " and resid 1621 and name HB1 )) )( (( segid " " and resid 1621 and name HB2 )) ) 5.000 5.000 0.000 peak 7025 weight 0.10000E+01 volume 0.10970E+01 ppm1 2.093 ppm2 1.443 ASSI ( (( segid " " and resid 1621 and name HB1 )) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) ) 5.000 5.000 0.000 peak 7027 weight 0.10000E+01 volume 0.80300E+00 ppm1 2.100 ppm2 0.743 ASSI ( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) )( (( segid " " and resid 1582 and name HB1 )) ) 5.000 5.000 0.000 peak 7035 weight 0.10000E+01 volume 0.77300E+00 ppm1 0.713 ppm2 3.197 ASSI ( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) )( (( segid " " and resid 1582 and name HB2 )) ) 5.000 5.000 0.000 peak 7036 weight 0.10000E+01 volume 0.84300E+00 ppm1 0.713 ppm2 3.018 ASSI ( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) )( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) ) 5.000 5.000 0.000 peak 7041 weight 0.10000E+01 volume 0.67200E+00 ppm1 0.711 ppm2 -0.264 ASSI ( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 6.000 6.000 0.000 peak 7042 weight 0.10000E+01 volume 0.17000E-01 ppm1 0.720 ppm2 -0.399 ASSI ( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) )( (( segid " " and resid 1621 and name HA )) ) 5.000 5.000 0.000 peak 7037 weight 0.10000E+01 volume 0.31800E+00 ppm1 0.718 ppm2 5.016 ASSI ( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 6.000 6.000 0.000 peak 7048 weight 0.10000E+01 volume 0.17100E+00 ppm1 0.808 ppm2 -0.046 ASSI ( (( segid " " and resid 1622 and name HB2 )) )( (( segid " " and resid 1622 and name HB1 )) ) 2.700 2.700 0.000 peak 7022 weight 0.10000E+01 volume 0.32830E+01 ppm1 2.733 ppm2 3.286 ASSI ( (( segid " " and resid 1624 and name HA )) )( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) ) 5.000 5.000 0.000 peak 6601 weight 0.10000E+01 volume -0.12450E+01 ppm1 4.423 ppm2 0.846 ASSI ( (( segid " " and resid 1625 and name HA )) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) ) 5.000 5.000 0.000 peak 6974 weight 0.10000E+01 volume -0.14510E+01 ppm1 4.572 ppm2 1.366 ASSI ( (( segid " " and resid 1626 and name HA )) )( (( segid " " and resid 1626 and name HE3 )) ) 5.000 5.000 0.000 peak 6947 weight 0.10000E+01 volume -0.40300E+00 ppm1 4.636 ppm2 7.667 ASSI ( (( segid " " and resid 1626 and name HA )) )( (( segid " " and resid 1626 and name HN )) ) 5.000 5.000 0.000 peak 1879 weight 0.10000E+01 volume -0.30400E+00 ppm1 4.645 ppm2 9.653 ASSI ( (( segid " " and resid 1626 and name HZ3 )) )( (( segid " " and resid 1626 and name HZ2 )) ) 6.000 6.000 0.000 peak 6970 weight 0.10000E+01 volume 0.24100E+00 ppm1 6.956 ppm2 7.224 ASSI ( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) )( (( segid " " and resid 1599 and name HB2 )) ) 5.000 5.000 0.000 peak 6915 weight 0.10000E+01 volume 0.52600E+00 ppm1 0.520 ppm2 2.231 ASSI ( (( segid " " and resid 1628 and name HA )) )( (( segid " " and resid 1628 and name HG2 )) ) 5.000 5.000 0.000 peak 6876 weight 0.10000E+01 volume -0.78200E+00 ppm1 4.955 ppm2 2.323 ASSI ( (( segid " " and resid 1628 and name HB2 )) )( (( segid " " and resid 1628 and name HG2 )) ) 3.300 3.300 0.000 peak 6889 weight 0.10000E+01 volume 0.16950E+01 ppm1 1.789 ppm2 2.326 ASSI ( (( segid " " and resid 1628 and name HG1 )) )( (( segid " " and resid 1628 and name HA )) ) 5.000 5.000 0.000 peak 6897 weight 0.10000E+01 volume 0.53100E+00 ppm1 2.492 ppm2 4.948 ASSI ( (( segid " " and resid 1629 and name HA )) )( (( segid " " and resid 1629 and name HB1 )) ) 5.000 5.000 0.000 peak 6856 weight 0.10000E+01 volume -0.63400E+00 ppm1 4.536 ppm2 3.265 ASSI ( (( segid " " and resid 1629 and name HA )) )( (( segid " " and resid 1629 and name HB2 )) ) 5.000 5.000 0.000 peak 6855 weight 0.10000E+01 volume -0.70400E+00 ppm1 4.532 ppm2 2.960 ASSI ( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) )( (( segid " " and resid 1631 and name HG2 )) ) 5.000 5.000 0.000 peak 6869 weight 0.10000E+01 volume -0.91200E+00 ppm1 6.854 ppm2 1.781 ASSI ( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) )( (( segid " " and resid 1629 and name HB1 )) ) 5.000 5.000 0.000 peak 7179 weight 0.10000E+01 volume 0.39000E+00 ppm1 6.815 ppm2 3.267 ASSI ( (( segid " " and resid 1630 and name HA )) )( (( segid " " and resid 1630 and name HD1 )) ) 6.000 6.000 0.000 peak 6818 weight 0.10000E+01 volume -0.15800E+00 ppm1 4.845 ppm2 7.029 ASSI ( (( segid " " and resid 1630 and name HB2 )) )( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) ) 6.000 6.000 0.000 peak 6577 weight 0.10000E+01 volume 0.19900E+00 ppm1 2.775 ppm2 -0.591 ASSI ( (( segid " " and resid 1630 and name HE3 )) )( (( segid " " and resid 1600 and name HA )) ) 5.000 5.000 0.000 peak 6831 weight 0.10000E+01 volume 0.34900E+00 ppm1 7.513 ppm2 5.663 ASSI ( (( segid " " and resid 1630 and name HZ2 )) )( (( segid " " and resid 1646 and name HB2 )) ) 6.000 6.000 0.000 peak 6850 weight 0.10000E+01 volume 0.17200E+00 ppm1 7.481 ppm2 0.146 ASSI ( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) )( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) ) 5.000 5.000 0.000 peak 6761 weight 0.10000E+01 volume 0.49500E+00 ppm1 2.220 ppm2 0.591 ASSI ( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) )( (( segid " " and resid 1631 and name HD1 )) ) 5.000 5.000 0.000 peak 6755 weight 0.10000E+01 volume 0.40100E+00 ppm1 2.225 ppm2 3.657 ASSI ( (( segid " " and resid 1631 and name HD1 )) )( (( segid " " and resid 1630 and name HD1 )) ) 6.000 6.000 0.000 peak 6798 weight 0.10000E+01 volume -0.28200E+00 ppm1 3.652 ppm2 7.028 ASSI ( (( segid " " and resid 1631 and name HD2 )) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 5.000 5.000 0.000 peak 6661 weight 0.10000E+01 volume -0.34300E+00 ppm1 3.068 ppm2 6.632 ASSI ( (( segid " " and resid 1631 and name HD1 )) )( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) ) 5.000 5.000 0.000 peak 6579 weight 0.10000E+01 volume -0.33900E+00 ppm1 3.652 ppm2 -0.586 ASSI ( (( segid " " and resid 1632 and name HA )) )( (( segid " " and resid 1632 and name HD2 )) OR (( segid " " and resid 1632 and name HD1 )) ) 5.000 5.000 0.000 peak 6713 weight 0.10000E+01 volume -0.43500E+00 ppm1 4.287 ppm2 3.207 ASSI ( (( segid " " and resid 1632 and name HA )) )( (( segid " " and resid 1632 and name HG2 )) ) 3.300 3.300 0.000 peak 6712 weight 0.10000E+01 volume -0.21110E+01 ppm1 4.287 ppm2 1.608 ASSI ( (( segid " " and resid 1632 and name HB1 )) )( (( segid " " and resid 1632 and name HD2 )) OR (( segid " " and resid 1632 and name HD1 )) ) 3.300 3.300 0.000 peak 6723 weight 0.10000E+01 volume 0.16190E+01 ppm1 1.903 ppm2 3.217 ASSI ( (( segid " " and resid 1632 and name HB2 )) )( (( segid " " and resid 1632 and name HD2 )) OR (( segid " " and resid 1632 and name HD1 )) ) 3.300 3.300 0.000 peak 6724 weight 0.10000E+01 volume 0.15280E+01 ppm1 1.766 ppm2 3.216 ASSI ( (( segid " " and resid 1632 and name HG1 )) )( (( segid " " and resid 1632 and name HD2 )) OR (( segid " " and resid 1632 and name HD1 )) ) 3.300 3.300 0.000 peak 6729 weight 0.10000E+01 volume 0.15130E+01 ppm1 1.781 ppm2 3.217 ASSI ( (( segid " " and resid 1633 and name HA )) )( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) ) 6.000 6.000 0.000 peak 6707 weight 0.10000E+01 volume -0.24400E+00 ppm1 4.654 ppm2 0.793 ASSI ( (( segid " " and resid 1634 and name HB )) )( (( segid " " and resid 1640 and name HA )) ) 5.000 5.000 0.000 peak 6703 weight 0.10000E+01 volume -0.30700E+00 ppm1 4.490 ppm2 3.959 ASSI ( (( segid " " and resid 1634 and name HB )) )( (( segid " " and resid 1640 and name HB2 )) OR (( segid " " and resid 1640 and name HB1 )) ) 5.000 5.000 0.000 peak 6704 weight 0.10000E+01 volume -0.52800E+00 ppm1 4.485 ppm2 2.177 ASSI ( (( segid " " and resid 1634 and name HB )) )( (( segid " " and resid 1640 and name HG2 )) ) 6.000 6.000 0.000 peak 6684 weight 0.10000E+01 volume -0.26700E+00 ppm1 4.491 ppm2 2.418 ASSI ( (( segid " " and resid 1634 and name HB )) )( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) ) 5.000 5.000 0.000 peak 6644 weight 0.10000E+01 volume -0.35900E+00 ppm1 4.485 ppm2 0.818 ASSI ( (( segid " " and resid 1638 and name HA )) )( (( segid " " and resid 1638 and name HB2 )) OR (( segid " " and resid 1638 and name HB1 )) ) 2.700 2.700 0.000 peak 4830 weight 0.10000E+01 volume -0.33350E+01 ppm1 4.310 ppm2 4.007 ASSI ( (( segid " " and resid 1640 and name HA )) )( (( segid " " and resid 1640 and name HB2 )) OR (( segid " " and resid 1640 and name HB1 )) ) 2.700 2.700 0.000 peak 6680 weight 0.10000E+01 volume -0.30080E+01 ppm1 3.977 ppm2 2.177 ASSI ( (( segid " " and resid 1640 and name HG1 )) )( (( segid " " and resid 1634 and name HB )) ) 5.000 5.000 0.000 peak 6691 weight 0.10000E+01 volume 0.37400E+00 ppm1 2.553 ppm2 4.491 ASSI ( (( segid " " and resid 1640 and name HG1 )) )( (( segid " " and resid 1634 and name HG23)) OR (( segid " " and resid 1634 and name HG22)) OR (( segid " " and resid 1634 and name HG21)) ) 6.000 6.000 0.000 peak 6686 weight 0.10000E+01 volume 0.10200E+00 ppm1 2.555 ppm2 1.188 ASSI ( (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) )( (( segid " " and resid 1641 and name HA )) ) 2.700 2.700 0.000 peak 6676 weight 0.10000E+01 volume 0.62810E+01 ppm1 1.458 ppm2 4.086 ASSI ( (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) )( (( segid " " and resid 1642 and name HB1 )) ) 5.000 5.000 0.000 peak 6679 weight 0.10000E+01 volume 0.43400E+00 ppm1 1.455 ppm2 3.043 ASSI ( (( segid " " and resid 1643 and name HB2 )) )( (( segid " " and resid 1640 and name HA )) ) 5.000 5.000 0.000 peak 6616 weight 0.10000E+01 volume 0.35400E+00 ppm1 1.455 ppm2 3.994 ASSI ( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) )( (( segid " " and resid 1643 and name HA )) ) 5.000 5.000 0.000 peak 6637 weight 0.10000E+01 volume 0.59600E+00 ppm1 0.815 ppm2 3.489 ASSI ( (( segid " " and resid 1643 and name HG )) )( (( segid " " and resid 1643 and name HB2 )) ) 5.000 5.000 0.000 peak 6626 weight 0.10000E+01 volume 0.41400E+00 ppm1 1.811 ppm2 1.441 ASSI ( (( segid " " and resid 1644 and name HA )) )( (( segid " " and resid 1647 and name HB2 )) OR (( segid " " and resid 1647 and name HB1 )) ) 3.300 3.300 0.000 peak 6543 weight 0.10000E+01 volume -0.15200E+01 ppm1 4.156 ppm2 2.668 ASSI ( (( segid " " and resid 1646 and name HA )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 5.000 5.000 0.000 peak 6520 weight 0.10000E+01 volume -0.31600E+00 ppm1 3.516 ppm2 6.904 ASSI ( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) )( (( segid " " and resid 1631 and name HD2 )) ) 5.000 5.000 0.000 peak 6569 weight 0.10000E+01 volume 0.37200E+00 ppm1 -0.581 ppm2 3.068 ASSI ( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) )( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) ) 3.300 3.300 0.000 peak 6563 weight 0.10000E+01 volume 0.18380E+01 ppm1 -0.580 ppm2 -0.194 ASSI ( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) )( (( segid " " and resid 1646 and name HG )) ) 3.300 3.300 0.000 peak 6565 weight 0.10000E+01 volume 0.15540E+01 ppm1 -0.580 ppm2 0.296 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1630 and name HE3 )) ) 6.000 6.000 0.000 peak 6583 weight 0.10000E+01 volume 0.29300E+00 ppm1 -0.188 ppm2 7.490 ASSI ( (( segid " " and resid 1646 and name HD23)) OR (( segid " " and resid 1646 and name HD22)) OR (( segid " " and resid 1646 and name HD21)) )( (( segid " " and resid 1646 and name HA )) ) 3.300 3.300 0.000 peak 6587 weight 0.10000E+01 volume 0.16170E+01 ppm1 -0.188 ppm2 3.514 ASSI ( (( segid " " and resid 1647 and name HB1 )) )( (( segid " " and resid 1644 and name HA )) ) 5.000 5.000 0.000 peak 6541 weight 0.10000E+01 volume 0.13200E+01 ppm1 2.686 ppm2 4.155 ASSI ( (( segid " " and resid 1647 and name HB2 )) )( (( segid " " and resid 1644 and name HA )) ) 5.000 5.000 0.000 peak 6542 weight 0.10000E+01 volume 0.10080E+01 ppm1 2.613 ppm2 4.157 ASSI ( (( segid " " and resid 1648 and name HG2 )) )( (( segid " " and resid 1648 and name HA )) ) 3.300 3.300 0.000 peak 6538 weight 0.10000E+01 volume 0.15180E+01 ppm1 2.116 ppm2 4.008 ASSI ( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) )( (( segid " " and resid 1649 and name HB1 )) ) 3.300 3.300 0.000 peak 6506 weight 0.10000E+01 volume -0.15180E+01 ppm1 6.899 ppm2 3.217 ASSI ( (( segid " " and resid 1650 and name HA )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 6.000 6.000 0.000 peak 6494 weight 0.10000E+01 volume -0.21900E+00 ppm1 2.774 ppm2 6.884 ASSI ( (( segid " " and resid 1651 and name HA )) )( (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) ) 6.000 6.000 0.000 peak 6486 weight 0.10000E+01 volume -0.22900E+00 ppm1 4.065 ppm2 0.940 ASSI ( (( segid " " and resid 1651 and name HG1 )) )( (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) ) 5.000 5.000 0.000 peak 6490 weight 0.10000E+01 volume 0.70100E+00 ppm1 2.410 ppm2 0.940 ASSI ( (( segid " " and resid 1652 and name HA )) )( (( segid " " and resid 1652 and name HB1 )) ) 3.300 3.300 0.000 peak 6480 weight 0.10000E+01 volume -0.20100E+01 ppm1 4.345 ppm2 2.823 ASSI ( (( segid " " and resid 1652 and name HA )) )( (( segid " " and resid 1655 and name HB2 )) ) 5.000 5.000 0.000 peak 6483 weight 0.10000E+01 volume -0.89500E+00 ppm1 4.346 ppm2 1.501 ASSI ( (( segid " " and resid 1652 and name HA )) )( (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) ) 5.000 5.000 0.000 peak 6484 weight 0.10000E+01 volume -0.49500E+00 ppm1 4.345 ppm2 0.940 ASSI ( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) )( (( segid " " and resid 1654 and name HB1 )) ) 5.000 5.000 0.000 peak 6456 weight 0.10000E+01 volume 0.33400E+00 ppm1 0.576 ppm2 3.412 ASSI ( (( segid " " and resid 1655 and name HB1 )) )( (( segid " " and resid 1652 and name HA )) ) 5.000 5.000 0.000 peak 6409 weight 0.10000E+01 volume 0.47500E+00 ppm1 1.841 ppm2 4.348 ASSI ( (( segid " " and resid 1657 and name HA2 )) OR (( segid " " and resid 1657 and name HA1 )) )( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) ) 5.000 5.000 0.000 peak 6401 weight 0.10000E+01 volume 0.67600E+00 ppm1 4.011 ppm2 1.138 ASSI ( (( segid " " and resid 1658 and name HA )) )( (( segid " " and resid 1658 and name HB1 )) ) 5.000 5.000 0.000 peak 6389 weight 0.10000E+01 volume -0.11650E+01 ppm1 4.637 ppm2 3.168 ASSI ( (( segid " " and resid 1528 and name HN )) OR (( segid " " and resid 1516 and name HN )) )( (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) OR (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) OR (( segid " " and resid 1518 and name HG2 )) ) 6.000 6.000 0.000 peak 2005 weight 0.10000E+01 volume 0.27800E+00 ppm1 8.477 ppm2 1.191 ASSI ( (( segid " " and resid 1516 and name HN )) )( (( segid " " and resid 1589 and name HN )) OR (( segid " " and resid 1514 and name HN )) ) 5.000 5.000 0.000 peak 4838 weight 0.10000E+01 volume 0.40400E+00 ppm1 8.480 ppm2 8.031 ASSI ( (( segid " " and resid 1528 and name HN )) OR (( segid " " and resid 1516 and name HN )) )( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) OR (( segid " " and resid 1530 and name HG1 )) ) 6.000 6.000 0.000 peak 2006 weight 0.10000E+01 volume 0.21400E+00 ppm1 8.471 ppm2 0.571 ASSI ( (( segid " " and resid 1577 and name HN )) OR (( segid " " and resid 1545 and name HN )) )( (( segid " " and resid 1598 and name HB2 )) OR (( segid " " and resid 1563 and name HB1 )) ) 5.000 5.000 0.000 peak 5554 weight 0.10000E+01 volume 0.91800E+00 ppm1 9.367 ppm2 1.792 ASSI ( (( segid " " and resid 1554 and name HN )) )( (( segid " " and resid 1553 and name HN )) ) 6.000 6.000 0.000 peak 2060 weight 0.10000E+01 volume 0.27100E+00 ppm1 8.758 ppm2 8.609 ASSI ( (( segid " " and resid 1639 and name HN )) OR (( segid " " and resid 1518 and name HN )) )( (( segid " " and resid 1636 and name HB2 )) OR (( segid " " and resid 1636 and name HB1 )) OR (( segid " " and resid 1515 and name HA2 )) ) 6.000 6.000 0.000 peak 6381 weight 0.10000E+01 volume 0.29200E+00 ppm1 8.184 ppm2 3.499 ASSI ( (( segid " " and resid 1648 and name HN )) OR (( segid " " and resid 1534 and name HN )) )( (( segid " " and resid 1644 and name HA )) OR (( segid " " and resid 1641 and name HA )) OR (( segid " " and resid 1529 and name HB )) ) 5.000 5.000 0.000 peak 1944 weight 0.10000E+01 volume 0.32400E+00 ppm1 7.852 ppm2 4.123 ASSI ( (( segid " " and resid 1648 and name HN )) OR (( segid " " and resid 1534 and name HN )) )( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) OR (( segid " " and resid 1643 and name HB2 )) OR (( segid " " and resid 1568 and name HD1 )) OR (( segid " " and resid 1568 and name HB2 )) OR (( segid " " and resid 1531 and name HG1 )) OR (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) ) 5.000 5.000 0.000 peak 1936 weight 0.10000E+01 volume 0.55300E+00 ppm1 7.852 ppm2 1.500 ASSI ( (( segid " " and resid 1648 and name HN )) )( (( segid " " and resid 1647 and name HA )) OR (( segid " " and resid 1645 and name HA )) ) 5.000 5.000 0.000 peak 1939 weight 0.10000E+01 volume 0.77300E+00 ppm1 7.849 ppm2 4.434 ASSI ( (( segid " " and resid 1648 and name HN )) OR (( segid " " and resid 1534 and name HN )) )( (( segid " " and resid 1646 and name HB2 )) OR (( segid " " and resid 1530 and name HG2 )) ) 6.000 6.000 0.000 peak 1938 weight 0.10000E+01 volume 0.12000E+00 ppm1 7.852 ppm2 0.127 ASSI ( (( segid " " and resid 1608 and name HN )) OR (( segid " " and resid 1586 and name HN )) )( (( segid " " and resid 1616 and name HD1 )) OR (( segid " " and resid 1588 and name HB2 )) OR (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) OR (( segid " " and resid 1584 and name HE2 )) OR (( segid " " and resid 1556 and name HB1 )) OR (( segid " " and resid 1554 and name HB2 )) OR (( segid " " and resid 1554 and name HB1 )) ) 6.000 6.000 0.000 peak 2401 weight 0.10000E+01 volume 0.18200E+00 ppm1 8.460 ppm2 2.969 ASSI ( (( segid " " and resid 1618 and name HN )) OR (( segid " " and resid 1607 and name HN )) )( (( segid " " and resid 1617 and name HN )) OR (( segid " " and resid 1608 and name HN )) ) 6.000 6.000 0.000 peak 2420 weight 0.10000E+01 volume 0.21400E+00 ppm1 8.758 ppm2 8.434 ASSI ( (( segid " " and resid 1608 and name HN )) OR (( segid " " and resid 1586 and name HN )) )( (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) OR (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) OR (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) ) 2.700 2.700 0.000 peak 5310 weight 0.10000E+01 volume 0.36400E+01 ppm1 8.454 ppm2 0.865 ASSI ( (( segid " " and resid 1586 and name HN )) OR (( segid " " and resid 1511 and name HN )) )( (( segid " " and resid 1587 and name HA )) OR (( segid " " and resid 1555 and name HA )) ) 5.000 5.000 0.000 peak 5307 weight 0.10000E+01 volume 0.43600E+00 ppm1 8.461 ppm2 4.090 ASSI ( (( segid " " and resid 1608 and name HN )) OR (( segid " " and resid 1586 and name HN )) )( (( segid " " and resid 1608 and name HA )) OR (( segid " " and resid 1585 and name HA )) ) 2.700 2.700 0.000 peak 5305 weight 0.10000E+01 volume 0.33970E+01 ppm1 8.454 ppm2 4.625 ASSI ( (( segid " " and resid 1586 and name HN )) OR (( segid " " and resid 1511 and name HN )) )( (( segid " " and resid 1589 and name HN )) OR (( segid " " and resid 1556 and name HN )) ) 6.000 6.000 0.000 peak 2405 weight 0.10000E+01 volume 0.16600E+00 ppm1 8.455 ppm2 8.076 ASSI ( (( segid " " and resid 1608 and name HN )) OR (( segid " " and resid 1586 and name HN )) )( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) OR (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) ) 6.000 6.000 0.000 peak 5311 weight 0.10000E+01 volume 0.28300E+00 ppm1 8.450 ppm2 0.483 ASSI ( (( segid " " and resid 1650 and name HN )) OR (( segid " " and resid 1613 and name HN )) )( (( segid " " and resid 1649 and name HA )) OR (( segid " " and resid 1613 and name HA )) ) 5.000 5.000 0.000 peak 2342 weight 0.10000E+01 volume 0.72900E+00 ppm1 8.201 ppm2 4.257 ASSI ( (( segid " " and resid 1650 and name HN )) OR (( segid " " and resid 1613 and name HN )) )( (( segid " " and resid 1650 and name HA )) OR (( segid " " and resid 1612 and name HB1 )) ) 3.300 3.300 0.000 peak 1908 weight 0.10000E+01 volume 0.17900E+01 ppm1 8.195 ppm2 2.782 ASSI ( (( segid " " and resid 1650 and name HN )) OR (( segid " " and resid 1613 and name HN )) )( (( segid " " and resid 1647 and name HN )) OR (( segid " " and resid 1610 and name HN )) ) 6.000 6.000 0.000 peak 1917 weight 0.10000E+01 volume 0.15400E+00 ppm1 8.191 ppm2 8.563 ASSI ( (( segid " " and resid 1621 and name HN )) OR (( segid " " and resid 1585 and name HN )) )( (( segid " " and resid 1627 and name HG12)) OR (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) OR (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 2269 weight 0.10000E+01 volume 0.10490E+01 ppm1 8.976 ppm2 0.692 ASSI ( (( segid " " and resid 1619 and name HN )) OR (( segid " " and resid 1576 and name HN )) )( (( segid " " and resid 1620 and name HD1 )) OR (( segid " " and resid 1577 and name HA )) OR (( segid " " and resid 1566 and name HA )) ) 6.000 6.000 0.000 peak 5285 weight 0.10000E+01 volume 0.28100E+00 ppm1 8.894 ppm2 4.123 ASSI ( (( segid " " and resid 1619 and name HN )) OR (( segid " " and resid 1576 and name HN )) )( (( segid " " and resid 1619 and name HB1 )) OR (( segid " " and resid 1577 and name HB1 )) ) 5.000 5.000 0.000 peak 2281 weight 0.10000E+01 volume 0.70000E+00 ppm1 8.901 ppm2 2.969 ASSI ( (( segid " " and resid 1626 and name HE1 )) )( (( segid " " and resid 1628 and name HN )) ) 6.000 6.000 0.000 peak 5993 weight 0.10000E+01 volume 0.19700E+00 ppm1 10.836 ppm2 9.231 ASSI ( (( segid " " and resid 1577 and name HN )) OR (( segid " " and resid 1545 and name HN )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 5558 weight 0.10000E+01 volume 0.53900E+00 ppm1 9.368 ppm2 0.102 ASSI ( (( segid " " and resid 1512 and name HN )) )( (( segid " " and resid 1589 and name HB )) OR (( segid " " and resid 1587 and name HB )) ) 3.300 3.300 0.000 peak 5131 weight 0.10000E+01 volume 0.18790E+01 ppm1 8.380 ppm2 4.423 ASSI ( (( segid " " and resid 1514 and name HN )) )( (( segid " " and resid 1590 and name HB2 )) OR (( segid " " and resid 1514 and name HB2 )) OR (( segid " " and resid 1513 and name HB2 )) ) 3.300 3.300 0.000 peak 6109 weight 0.10000E+01 volume 0.27750E+01 ppm1 7.939 ppm2 2.746 ASSI ( (( segid " " and resid 1514 and name HN )) )( (( segid " " and resid 1623 and name HB2 )) ) 6.000 6.000 0.000 peak 6107 weight 0.10000E+01 volume 0.24100E+00 ppm1 7.934 ppm2 3.833 ASSI ( (( segid " " and resid 1514 and name HN )) )( (( segid " " and resid 1515 and name HN )) OR (( segid " " and resid 1513 and name HN )) ) 5.000 5.000 0.000 peak 4965 weight 0.10000E+01 volume 0.88400E+00 ppm1 7.941 ppm2 8.342 ASSI ( (( segid " " and resid 1514 and name HN )) )( (( segid " " and resid 1625 and name HB )) OR (( segid " " and resid 1623 and name HB1 )) OR (( segid " " and resid 1623 and name HA )) ) 6.000 6.000 0.000 peak 6106 weight 0.10000E+01 volume 0.20900E+00 ppm1 7.940 ppm2 3.990 ASSI ( (( segid " " and resid 1515 and name HN )) )( (( segid " " and resid 1588 and name HB1 )) ) 5.000 5.000 0.000 peak 6102 weight 0.10000E+01 volume 0.32700E+00 ppm1 8.332 ppm2 3.570 ASSI ( (( segid " " and resid 1515 and name HN )) )( (( segid " " and resid 1625 and name HB )) OR (( segid " " and resid 1623 and name HB1 )) OR (( segid " " and resid 1623 and name HA )) ) 5.000 5.000 0.000 peak 6101 weight 0.10000E+01 volume 0.40400E+00 ppm1 8.335 ppm2 3.990 ASSI ( (( segid " " and resid 1515 and name HN )) )( (( segid " " and resid 1622 and name HA )) ) 5.000 5.000 0.000 peak 6099 weight 0.10000E+01 volume 0.53400E+00 ppm1 8.333 ppm2 4.905 ASSI ( (( segid " " and resid 1516 and name HN )) )( (( segid " " and resid 1513 and name HB1 )) ) 6.000 6.000 0.000 peak 4948 weight 0.10000E+01 volume 0.12000E+00 ppm1 8.468 ppm2 2.835 ASSI ( (( segid " " and resid 1517 and name HN )) )( (( segid " " and resid 1590 and name HB1 )) OR (( segid " " and resid 1588 and name HB2 )) ) 6.000 6.000 0.000 peak 6093 weight 0.10000E+01 volume 0.24900E+00 ppm1 8.384 ppm2 3.005 ASSI ( (( segid " " and resid 1517 and name HN )) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1518 and name HG1 )) ) 6.000 6.000 0.000 peak 6097 weight 0.10000E+01 volume 0.24000E+00 ppm1 8.387 ppm2 1.505 ASSI ( (( segid " " and resid 1517 and name HN )) )( (( segid " " and resid 1590 and name HB2 )) OR (( segid " " and resid 1514 and name HB2 )) OR (( segid " " and resid 1513 and name HB2 )) ) 6.000 6.000 0.000 peak 6094 weight 0.10000E+01 volume 0.18200E+00 ppm1 8.389 ppm2 2.734 ASSI ( (( segid " " and resid 1517 and name HN )) )( (( segid " " and resid 1591 and name HA )) ) 5.000 5.000 0.000 peak 6092 weight 0.10000E+01 volume 0.51300E+00 ppm1 8.390 ppm2 4.210 ASSI ( (( segid " " and resid 1517 and name HN )) )( (( segid " " and resid 1517 and name HA )) OR (( segid " " and resid 1516 and name HA )) ) 2.700 2.700 0.000 peak 5970 weight 0.10000E+01 volume 0.59150E+01 ppm1 8.390 ppm2 4.456 ASSI ( (( segid " " and resid 1518 and name HN )) )( (( segid " " and resid 1628 and name HA )) ) 5.000 5.000 0.000 peak 6088 weight 0.10000E+01 volume 0.52200E+00 ppm1 8.211 ppm2 4.941 ASSI ( (( segid " " and resid 1518 and name HE21)) )( (( segid " " and resid 1626 and name HH2 )) OR (( segid " " and resid 1626 and name HZ3 )) ) 6.000 6.000 0.000 peak 1803 weight 0.10000E+01 volume 0.19000E+00 ppm1 6.065 ppm2 6.921 ASSI ( (( segid " " and resid 1519 and name HN )) )( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) OR (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) OR (( segid " " and resid 1521 and name HB2 )) ) 5.000 5.000 0.000 peak 6085 weight 0.10000E+01 volume 0.34800E+00 ppm1 9.172 ppm2 1.102 ASSI ( (( segid " " and resid 1519 and name HN )) )( (( segid " " and resid 1525 and name HB )) OR (( segid " " and resid 1519 and name HB1 )) ) 3.300 3.300 0.000 peak 9611 weight 0.10000E+01 volume 0.23260E+01 ppm1 9.174 ppm2 1.947 ASSI ( (( segid " " and resid 1520 and name HN )) )( (( segid " " and resid 1521 and name HN )) ) 5.000 5.000 0.000 peak 4961 weight 0.10000E+01 volume 0.43600E+00 ppm1 8.477 ppm2 8.893 ASSI ( (( segid " " and resid 1521 and name HN )) )( (( segid " " and resid 1521 and name HG )) ) 5.000 5.000 0.000 peak 6081 weight 0.10000E+01 volume 0.30100E+00 ppm1 8.894 ppm2 1.196 ASSI ( (( segid " " and resid 1521 and name HN )) )( (( segid " " and resid 1520 and name HB2 )) OR (( segid " " and resid 1520 and name HB1 )) OR (( segid " " and resid 1519 and name HB2 )) ) 5.000 5.000 0.000 peak 6079 weight 0.10000E+01 volume 0.37400E+00 ppm1 8.893 ppm2 1.886 ASSI ( (( segid " " and resid 1521 and name HN )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) ) 6.000 6.000 0.000 peak 4960 weight 0.10000E+01 volume 0.24200E+00 ppm1 8.894 ppm2 6.832 ASSI ( (( segid " " and resid 1521 and name HN )) )( (( segid " " and resid 1521 and name HA )) ) 3.300 3.300 0.000 peak 6080 weight 0.10000E+01 volume 0.15420E+01 ppm1 8.893 ppm2 1.587 ASSI ( (( segid " " and resid 1522 and name HN )) )( (( segid " " and resid 1525 and name HA )) OR (( segid " " and resid 1520 and name HA )) ) 6.000 6.000 0.000 peak 6069 weight 0.10000E+01 volume 0.29000E+00 ppm1 7.833 ppm2 4.168 ASSI ( (( segid " " and resid 1522 and name HN )) )( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) ) 6.000 6.000 0.000 peak 6075 weight 0.10000E+01 volume 0.18800E+00 ppm1 7.828 ppm2 0.571 ASSI ( (( segid " " and resid 1522 and name HN )) )( (( segid " " and resid 1523 and name HB2 )) OR (( segid " " and resid 1521 and name HB1 )) OR (( segid " " and resid 1518 and name HB2 )) ) 6.000 6.000 0.000 peak 6072 weight 0.10000E+01 volume 0.23200E+00 ppm1 7.832 ppm2 1.690 ASSI ( (( segid " " and resid 1522 and name HN )) )( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) OR (( segid " " and resid 1525 and name HG21)) OR (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) OR (( segid " " and resid 1521 and name HB2 )) ) 5.000 5.000 0.000 peak 6074 weight 0.10000E+01 volume 0.52400E+00 ppm1 7.825 ppm2 1.076 ASSI ( (( segid " " and resid 1522 and name HN )) )( (( segid " " and resid 1521 and name HA )) ) 5.000 5.000 0.000 peak 6073 weight 0.10000E+01 volume 0.12240E+01 ppm1 7.832 ppm2 1.579 ASSI ( (( segid " " and resid 1523 and name HN )) )( (( segid " " and resid 1524 and name HG23)) OR (( segid " " and resid 1524 and name HG22)) OR (( segid " " and resid 1524 and name HG21)) OR (( segid " " and resid 1521 and name HG )) ) 5.000 5.000 0.000 peak 6064 weight 0.10000E+01 volume 0.42900E+00 ppm1 8.634 ppm2 1.243 ASSI ( (( segid " " and resid 1524 and name HN )) )( (( segid " " and resid 1523 and name HB1 )) OR (( segid " " and resid 1519 and name HB2 )) ) 5.000 5.000 0.000 peak 9621 weight 0.10000E+01 volume 0.48200E+00 ppm1 8.888 ppm2 1.860 ASSI ( (( segid " " and resid 1524 and name HN )) )( (( segid " " and resid 1522 and name HB1 )) ) 6.000 6.000 0.000 peak 6053 weight 0.10000E+01 volume 0.20700E+00 ppm1 8.889 ppm2 3.193 ASSI ( (( segid " " and resid 1524 and name HN )) )( (( segid " " and resid 1525 and name HG11)) OR (( segid " " and resid 1521 and name HA )) ) 5.000 5.000 0.000 peak 6055 weight 0.10000E+01 volume 0.49600E+00 ppm1 8.889 ppm2 1.542 ASSI ( (( segid " " and resid 1524 and name HN )) )( (( segid " " and resid 1525 and name HB )) OR (( segid " " and resid 1523 and name HG )) OR (( segid " " and resid 1519 and name HB1 )) ) 5.000 5.000 0.000 peak 9620 weight 0.10000E+01 volume 0.61400E+00 ppm1 8.888 ppm2 1.947 ASSI ( (( segid " " and resid 1525 and name HN )) )( (( segid " " and resid 1525 and name HG12)) OR (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) ) 5.000 5.000 0.000 peak 7401 weight 0.10000E+01 volume 0.12500E+01 ppm1 6.656 ppm2 0.971 ASSI ( (( segid " " and resid 1525 and name HN )) )( (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1524 and name HG23)) OR (( segid " " and resid 1524 and name HG22)) OR (( segid " " and resid 1524 and name HG21)) ) 5.000 5.000 0.000 peak 6048 weight 0.10000E+01 volume 0.45400E+00 ppm1 6.656 ppm2 1.237 ASSI ( (( segid " " and resid 1526 and name HN )) )( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) OR (( segid " " and resid 1525 and name HG11)) ) 5.000 5.000 0.000 peak 6040 weight 0.10000E+01 volume 0.36500E+00 ppm1 9.145 ppm2 1.510 ASSI ( (( segid " " and resid 1526 and name HN )) )( (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) OR (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) ) 5.000 5.000 0.000 peak 6041 weight 0.10000E+01 volume 0.44900E+00 ppm1 9.137 ppm2 1.194 ASSI ( (( segid " " and resid 1526 and name HN )) )( (( segid " " and resid 1525 and name HG12)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) ) 5.000 5.000 0.000 peak 6043 weight 0.10000E+01 volume 0.33100E+00 ppm1 9.137 ppm2 0.970 ASSI ( (( segid " " and resid 1526 and name HN )) )( (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) ) 5.000 5.000 0.000 peak 6042 weight 0.10000E+01 volume 0.13600E+01 ppm1 9.140 ppm2 1.073 ASSI ( (( segid " " and resid 1526 and name HN )) )( (( segid " " and resid 1526 and name HB1 )) OR (( segid " " and resid 1526 and name HA )) ) 3.300 3.300 0.000 peak 6036 weight 0.10000E+01 volume 0.19360E+01 ppm1 9.138 ppm2 4.435 ASSI ( (( segid " " and resid 1528 and name HN )) )( (( segid " " and resid 1529 and name HN )) ) 3.300 3.300 0.000 peak 4947 weight 0.10000E+01 volume 0.18760E+01 ppm1 8.485 ppm2 8.185 ASSI ( (( segid " " and resid 1529 and name HN )) )( (( segid " " and resid 1526 and name HB1 )) ) 5.000 5.000 0.000 peak 5994 weight 0.10000E+01 volume 0.44000E+00 ppm1 8.183 ppm2 4.417 ASSI ( (( segid " " and resid 1529 and name HN )) )( (( segid " " and resid 1526 and name HN )) ) 5.000 5.000 0.000 peak 4945 weight 0.10000E+01 volume 0.39700E+00 ppm1 8.186 ppm2 9.142 ASSI ( (( segid " " and resid 1529 and name HN )) )( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) ) 5.000 5.000 0.000 peak 6029 weight 0.10000E+01 volume 0.42500E+00 ppm1 8.184 ppm2 1.083 ASSI ( (( segid " " and resid 1530 and name HN )) )( (( segid " " and resid 1528 and name HA )) ) 6.000 6.000 0.000 peak 5977 weight 0.10000E+01 volume 0.19200E+00 ppm1 7.167 ppm2 3.978 ASSI ( (( segid " " and resid 1530 and name HN )) )( (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) OR (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) ) 2.700 2.700 0.000 peak 5982 weight 0.10000E+01 volume 0.30100E+01 ppm1 7.169 ppm2 1.189 ASSI ( (( segid " " and resid 1530 and name HN )) )( (( segid " " and resid 1531 and name HN )) OR (( segid " " and resid 1529 and name HN )) ) 3.300 3.300 0.000 peak 4941 weight 0.10000E+01 volume 0.24900E+01 ppm1 7.167 ppm2 8.170 ASSI ( (( segid " " and resid 1530 and name HN )) )( (( segid " " and resid 1531 and name HG1 )) OR (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) OR (( segid " " and resid 1525 and name HG11)) ) 6.000 6.000 0.000 peak 5981 weight 0.10000E+01 volume 0.23900E+00 ppm1 7.171 ppm2 1.502 ASSI ( (( segid " " and resid 1530 and name HE )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) ) 5.000 5.000 0.000 peak 2205 weight 0.10000E+01 volume -0.40200E+00 ppm1 10.722 ppm2 0.705 ASSI ( (( segid " " and resid 1530 and name HE )) )( (( segid " " and resid 1525 and name HD13)) OR (( segid " " and resid 1525 and name HD12)) OR (( segid " " and resid 1525 and name HD11)) OR (( segid " " and resid 1525 and name HG23)) OR (( segid " " and resid 1525 and name HG22)) OR (( segid " " and resid 1525 and name HG21)) ) 5.000 5.000 0.000 peak 2204 weight 0.10000E+01 volume -0.45400E+00 ppm1 10.730 ppm2 1.093 ASSI ( (( segid " " and resid 1530 and name HE )) )( (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) ) 5.000 5.000 0.000 peak 2203 weight 0.10000E+01 volume -0.32800E+00 ppm1 10.725 ppm2 1.195 ASSI ( (( segid " " and resid 1531 and name HN )) )( (( segid " " and resid 1649 and name HE2 )) OR (( segid " " and resid 1649 and name HE1 )) ) 6.000 6.000 0.000 peak 1808 weight 0.10000E+01 volume 0.19300E+00 ppm1 8.160 ppm2 6.565 ASSI ( (( segid " " and resid 1532 and name HN )) )( (( segid " " and resid 1532 and name HA )) OR (( segid " " and resid 1531 and name HA )) OR (( segid " " and resid 1529 and name HA )) ) 3.300 3.300 0.000 peak 5962 weight 0.10000E+01 volume 0.27320E+01 ppm1 8.423 ppm2 3.809 ASSI ( (( segid " " and resid 1532 and name HN )) )( (( segid " " and resid 1528 and name HA )) ) 5.000 5.000 0.000 peak 5961 weight 0.10000E+01 volume 0.39400E+00 ppm1 8.422 ppm2 3.989 ASSI ( (( segid " " and resid 1532 and name HE21)) )( (( segid " " and resid 1528 and name HG2 )) OR (( segid " " and resid 1528 and name HG1 )) ) 5.000 5.000 0.000 peak 1997 weight 0.10000E+01 volume 0.46300E+00 ppm1 7.493 ppm2 2.214 ASSI ( (( segid " " and resid 1532 and name HE22)) )( (( segid " " and resid 1528 and name HG2 )) OR (( segid " " and resid 1528 and name HG1 )) ) 6.000 6.000 0.000 peak 1996 weight 0.10000E+01 volume 0.19800E+00 ppm1 6.724 ppm2 2.213 ASSI ( (( segid " " and resid 1533 and name HN )) )( (( segid " " and resid 1534 and name HA )) OR (( segid " " and resid 1532 and name HA )) OR (( segid " " and resid 1531 and name HA )) OR (( segid " " and resid 1529 and name HA )) ) 5.000 5.000 0.000 peak 9319 weight 0.10000E+01 volume 0.13270E+01 ppm1 7.227 ppm2 3.811 ASSI ( (( segid " " and resid 1533 and name HN )) )( (( segid " " and resid 1535 and name HN )) ) 6.000 6.000 0.000 peak 4938 weight 0.10000E+01 volume 0.25700E+00 ppm1 7.228 ppm2 7.715 ASSI ( (( segid " " and resid 1534 and name HN )) )( (( segid " " and resid 1531 and name HN )) OR (( segid " " and resid 1529 and name HN )) ) 5.000 5.000 0.000 peak 1941 weight 0.10000E+01 volume 0.40600E+00 ppm1 7.849 ppm2 8.164 ASSI ( (( segid " " and resid 1535 and name HN )) )( (( segid " " and resid 1538 and name HB1 )) OR (( segid " " and resid 1537 and name HG2 )) OR (( segid " " and resid 1536 and name HG1 )) OR (( segid " " and resid 1536 and name HB1 )) OR (( segid " " and resid 1532 and name HB2 )) OR (( segid " " and resid 1531 and name HB1 )) ) 6.000 6.000 0.000 peak 5952 weight 0.10000E+01 volume 0.28800E+00 ppm1 7.710 ppm2 2.031 ASSI ( (( segid " " and resid 1535 and name HN )) )( (( segid " " and resid 1537 and name HD1 )) OR (( segid " " and resid 1534 and name HA )) OR (( segid " " and resid 1532 and name HA )) OR (( segid " " and resid 1531 and name HA )) ) 5.000 5.000 0.000 peak 5949 weight 0.10000E+01 volume 0.13410E+01 ppm1 7.715 ppm2 3.827 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 6.000 6.000 0.000 peak 5943 weight 0.10000E+01 volume 0.16200E+00 ppm1 7.573 ppm2 0.704 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1538 and name HN )) ) 6.000 6.000 0.000 peak 4933 weight 0.10000E+01 volume 0.10000E+00 ppm1 7.572 ppm2 8.875 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1536 and name HE2 )) OR (( segid " " and resid 1536 and name HE1 )) OR (( segid " " and resid 1531 and name HE1 )) ) 6.000 6.000 0.000 peak 5936 weight 0.10000E+01 volume 0.24400E+00 ppm1 7.577 ppm2 2.977 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1539 and name HB )) ) 5.000 5.000 0.000 peak 5938 weight 0.10000E+01 volume 0.48600E+00 ppm1 7.575 ppm2 2.208 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) OR (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) OR (( segid " " and resid 1531 and name HG2 )) ) 6.000 6.000 0.000 peak 5942 weight 0.10000E+01 volume 0.18600E+00 ppm1 7.572 ppm2 1.370 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1537 and name HD2 )) OR (( segid " " and resid 1537 and name HD1 )) OR (( segid " " and resid 1534 and name HA )) OR (( segid " " and resid 1532 and name HA )) OR (( segid " " and resid 1531 and name HA )) ) 5.000 5.000 0.000 peak 9267 weight 0.10000E+01 volume 0.65400E+00 ppm1 7.575 ppm2 3.857 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1536 and name HG1 )) OR (( segid " " and resid 1536 and name HB1 )) OR (( segid " " and resid 1532 and name HB2 )) ) 3.300 3.300 0.000 peak 5939 weight 0.10000E+01 volume 0.24730E+01 ppm1 7.573 ppm2 2.036 ASSI ( (( segid " " and resid 1538 and name HN )) )( (( segid " " and resid 1538 and name HB1 )) OR (( segid " " and resid 1537 and name HG2 )) OR (( segid " " and resid 1536 and name HG1 )) OR (( segid " " and resid 1536 and name HB1 )) ) 2.700 2.700 0.000 peak 5580 weight 0.10000E+01 volume 0.40820E+01 ppm1 8.878 ppm2 2.035 ASSI ( (( segid " " and resid 1538 and name HN )) )( (( segid " " and resid 1538 and name HB2 )) OR (( segid " " and resid 1537 and name HB2 )) OR (( segid " " and resid 1536 and name HB2 )) ) 3.300 3.300 0.000 peak 9210 weight 0.10000E+01 volume 0.27530E+01 ppm1 8.879 ppm2 1.905 ASSI ( (( segid " " and resid 1538 and name HN )) )( (( segid " " and resid 1604 and name HG2 )) OR (( segid " " and resid 1604 and name HG1 )) OR (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1539 and name HG11)) OR (( segid " " and resid 1536 and name HG2 )) ) 5.000 5.000 0.000 peak 5929 weight 0.10000E+01 volume 0.47800E+00 ppm1 8.880 ppm2 1.637 ASSI ( (( segid " " and resid 1538 and name HN )) )( (( segid " " and resid 1540 and name HA )) OR (( segid " " and resid 1536 and name HA )) ) 5.000 5.000 0.000 peak 5925 weight 0.10000E+01 volume 0.40300E+00 ppm1 8.879 ppm2 4.434 ASSI ( (( segid " " and resid 1538 and name HN )) )( (( segid " " and resid 1568 and name HD2 )) OR (( segid " " and resid 1539 and name HG12)) ) 6.000 6.000 0.000 peak 5930 weight 0.10000E+01 volume 0.17800E+00 ppm1 8.883 ppm2 1.196 ASSI ( (( segid " " and resid 1539 and name HN )) )( (( segid " " and resid 1537 and name HA )) ) 6.000 6.000 0.000 peak 5908 weight 0.10000E+01 volume 0.23900E+00 ppm1 7.363 ppm2 4.257 ASSI ( (( segid " " and resid 1539 and name HN )) )( (( segid " " and resid 1536 and name HN )) ) 6.000 6.000 0.000 peak 4931 weight 0.10000E+01 volume 0.25000E+00 ppm1 7.363 ppm2 7.587 ASSI ( (( segid " " and resid 1540 and name HN )) )( (( segid " " and resid 1568 and name HD2 )) OR (( segid " " and resid 1539 and name HG12)) ) 6.000 6.000 0.000 peak 5902 weight 0.10000E+01 volume 0.27300E+00 ppm1 8.739 ppm2 1.193 ASSI ( (( segid " " and resid 1540 and name HN )) )( (( segid " " and resid 1603 and name HN )) ) 6.000 6.000 0.000 peak 5896 weight 0.10000E+01 volume 0.14000E+00 ppm1 8.736 ppm2 5.589 ASSI ( (( segid " " and resid 1540 and name HN )) )( (( segid " " and resid 1604 and name HA )) ) 5.000 5.000 0.000 peak 5897 weight 0.10000E+01 volume 0.11670E+01 ppm1 8.740 ppm2 4.656 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1568 and name HD2 )) OR (( segid " " and resid 1539 and name HG12)) ) 5.000 5.000 0.000 peak 3801 weight 0.10000E+01 volume 0.37100E+00 ppm1 6.951 ppm2 1.196 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1602 and name HA )) ) 6.000 6.000 0.000 peak 2416 weight 0.10000E+01 volume 0.22700E+00 ppm1 6.944 ppm2 5.012 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) OR (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) OR (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) OR (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) ) 6.000 6.000 0.000 peak 3099 weight 0.10000E+01 volume 0.29700E+00 ppm1 6.945 ppm2 1.371 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1625 and name HG1 )) OR (( segid " " and resid 1619 and name HH )) OR (( segid " " and resid 1569 and name HG1 )) OR (( segid " " and resid 1543 and name HH )) OR (( segid " " and resid 1543 and name HE2 )) OR (( segid " " and resid 1543 and name HE1 )) OR (( segid " " and resid 1541 and name HH )) ) 5.000 5.000 0.000 peak 2410 weight 0.10000E+01 volume 0.58300E+00 ppm1 6.947 ppm2 6.699 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1541 and name HD1 )) ) 5.000 5.000 0.000 peak 2411 weight 0.10000E+01 volume 0.57300E+00 ppm1 6.946 ppm2 6.788 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1542 and name HN )) ) 6.000 6.000 0.000 peak 2413 weight 0.10000E+01 volume 0.23800E+00 ppm1 6.950 ppm2 8.076 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1620 and name HG1 )) OR (( segid " " and resid 1571 and name HG2 )) OR (( segid " " and resid 1539 and name HB )) ) 6.000 6.000 0.000 peak 5906 weight 0.10000E+01 volume 0.15100E+00 ppm1 6.945 ppm2 2.217 ASSI ( (( segid " " and resid 1542 and name HN )) )( (( segid " " and resid 1568 and name HB1 )) ) 5.000 5.000 0.000 peak 5889 weight 0.10000E+01 volume 0.63400E+00 ppm1 8.078 ppm2 1.707 ASSI ( (( segid " " and resid 1542 and name HN )) )( (( segid " " and resid 1541 and name HD2 )) ) 5.000 5.000 0.000 peak 8129 weight 0.10000E+01 volume 0.34500E+00 ppm1 8.078 ppm2 5.455 ASSI ( (( segid " " and resid 1542 and name HN )) )( (( segid " " and resid 1604 and name HA )) OR (( segid " " and resid 1570 and name HA1 )) ) 6.000 6.000 0.000 peak 5885 weight 0.10000E+01 volume 0.22100E+00 ppm1 8.073 ppm2 4.658 ASSI ( (( segid " " and resid 1542 and name HN )) )( (( segid " " and resid 1649 and name HZ )) OR (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) OR (( segid " " and resid 1541 and name HD1 )) ) 5.000 5.000 0.000 peak 4924 weight 0.10000E+01 volume 0.36100E+00 ppm1 8.082 ppm2 6.715 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1601 and name HB )) OR (( segid " " and resid 1600 and name HG )) OR (( segid " " and resid 1566 and name HB )) OR (( segid " " and resid 1540 and name HB1 )) OR (( segid " " and resid 1539 and name HG11)) ) 6.000 6.000 0.000 peak 4123 weight 0.10000E+01 volume 0.29200E+00 ppm1 9.701 ppm2 1.636 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1602 and name HG1 )) OR (( segid " " and resid 1600 and name HB1 )) ) 5.000 5.000 0.000 peak 4127 weight 0.10000E+01 volume 0.43300E+00 ppm1 9.706 ppm2 2.418 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1541 and name HD2 )) ) 5.000 5.000 0.000 peak 4132 weight 0.10000E+01 volume 0.37300E+00 ppm1 9.703 ppm2 5.456 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1649 and name HZ )) OR (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 4134 weight 0.10000E+01 volume 0.37400E+00 ppm1 9.710 ppm2 6.698 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) OR (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) ) 6.000 6.000 0.000 peak 4126 weight 0.10000E+01 volume 0.20800E+00 ppm1 9.709 ppm2 2.125 ASSI ( (( segid " " and resid 1544 and name HN )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) OR (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) OR (( segid " " and resid 1544 and name HD1 )) ) 5.000 5.000 0.000 peak 4150 weight 0.10000E+01 volume 0.48900E+00 ppm1 8.517 ppm2 0.734 ASSI ( (( segid " " and resid 1544 and name HN )) )( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) OR (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1574 and name HB1 )) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) OR (( segid " " and resid 1544 and name HE2 )) ) 5.000 5.000 0.000 peak 4149 weight 0.10000E+01 volume 0.36600E+00 ppm1 8.517 ppm2 1.103 ASSI ( (( segid " " and resid 1544 and name HN )) )( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) OR (( segid " " and resid 1576 and name HG2 )) OR (( segid " " and resid 1564 and name HB2 )) ) 5.000 5.000 0.000 peak 4148 weight 0.10000E+01 volume 0.32400E+00 ppm1 8.517 ppm2 1.237 ASSI ( (( segid " " and resid 1544 and name HN )) )( (( segid " " and resid 1601 and name HB )) OR (( segid " " and resid 1600 and name HG )) OR (( segid " " and resid 1576 and name HD2 )) OR (( segid " " and resid 1576 and name HD1 )) OR (( segid " " and resid 1568 and name HB1 )) ) 6.000 6.000 0.000 peak 4146 weight 0.10000E+01 volume 0.15100E+00 ppm1 8.517 ppm2 1.681 ASSI ( (( segid " " and resid 1544 and name HN )) )( (( segid " " and resid 1567 and name HE2 )) OR (( segid " " and resid 1567 and name HE1 )) OR (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 4137 weight 0.10000E+01 volume 0.55200E+00 ppm1 8.517 ppm2 6.694 ASSI ( (( segid " " and resid 1545 and name HN )) )( (( segid " " and resid 1599 and name HB2 )) OR (( segid " " and resid 1545 and name HB )) ) 5.000 5.000 0.000 peak 5552 weight 0.10000E+01 volume 0.49400E+00 ppm1 9.349 ppm2 2.235 ASSI ( (( segid " " and resid 1545 and name HN )) )( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) OR (( segid " " and resid 1544 and name HD1 )) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) ) 3.300 3.300 0.000 peak 5557 weight 0.10000E+01 volume 0.16100E+01 ppm1 9.357 ppm2 0.748 ASSI ( (( segid " " and resid 1545 and name HN )) )( (( segid " " and resid 1546 and name HN )) OR (( segid " " and resid 1544 and name HN )) ) 6.000 6.000 0.000 peak 2297 weight 0.10000E+01 volume 0.28900E+00 ppm1 9.356 ppm2 8.519 ASSI ( (( segid " " and resid 1545 and name HN )) )( (( segid " " and resid 1600 and name HB2 )) OR (( segid " " and resid 1544 and name HB1 )) ) 5.000 5.000 0.000 peak 5553 weight 0.10000E+01 volume 0.39500E+00 ppm1 9.356 ppm2 2.016 ASSI ( (( segid " " and resid 1545 and name HN )) )( (( segid " " and resid 1600 and name HA )) OR (( segid " " and resid 1545 and name HA )) OR (( segid " " and resid 1544 and name HA )) ) 2.700 2.700 0.000 peak 5546 weight 0.10000E+01 volume 0.37610E+01 ppm1 9.356 ppm2 5.655 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1577 and name HA )) OR (( segid " " and resid 1563 and name HA )) OR (( segid " " and resid 1548 and name HB )) ) 5.000 5.000 0.000 peak 5865 weight 0.10000E+01 volume 0.36500E+00 ppm1 8.517 ppm2 4.210 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) OR (( segid " " and resid 1564 and name HB2 )) OR (( segid " " and resid 1564 and name HB1 )) OR (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) OR (( segid " " and resid 1547 and name HG12)) ) 5.000 5.000 0.000 peak 5871 weight 0.10000E+01 volume 0.35000E+00 ppm1 8.519 ppm2 1.265 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1601 and name HG11)) OR (( segid " " and resid 1564 and name HG )) ) 5.000 5.000 0.000 peak 5869 weight 0.10000E+01 volume 0.66300E+00 ppm1 8.519 ppm2 1.504 ASSI ( (( segid " " and resid 1547 and name HN )) )( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 6.000 6.000 0.000 peak 5856 weight 0.10000E+01 volume 0.23400E+00 ppm1 8.450 ppm2 0.882 ASSI ( (( segid " " and resid 1547 and name HN )) )( (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) OR (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) OR (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) OR (( segid " " and resid 1544 and name HE2 )) ) 6.000 6.000 0.000 peak 5854 weight 0.10000E+01 volume 0.14000E+00 ppm1 8.450 ppm2 1.103 ASSI ( (( segid " " and resid 1547 and name HN )) )( (( segid " " and resid 1598 and name HG1 )) OR (( segid " " and resid 1598 and name HB1 )) OR (( segid " " and resid 1597 and name HD2 )) ) 6.000 6.000 0.000 peak 5851 weight 0.10000E+01 volume 0.12300E+00 ppm1 8.450 ppm2 2.569 ASSI ( (( segid " " and resid 1547 and name HN )) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 4922 weight 0.10000E+01 volume 0.48200E+00 ppm1 8.450 ppm2 6.743 ASSI ( (( segid " " and resid 1547 and name HN )) )( (( segid " " and resid 1597 and name HN )) ) 6.000 6.000 0.000 peak 4921 weight 0.10000E+01 volume 0.24800E+00 ppm1 8.455 ppm2 8.031 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1593 and name HB2 )) OR (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 5.000 5.000 0.000 peak 5831 weight 0.10000E+01 volume 0.33000E+00 ppm1 7.831 ppm2 0.593 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1550 and name HG11)) ) 6.000 6.000 0.000 peak 5827 weight 0.10000E+01 volume 0.14400E+00 ppm1 7.829 ppm2 1.503 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1595 and name HA )) OR (( segid " " and resid 1546 and name HB1 )) ) 5.000 5.000 0.000 peak 5823 weight 0.10000E+01 volume 0.45200E+00 ppm1 7.827 ppm2 3.763 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1581 and name HA )) OR (( segid " " and resid 1560 and name HA )) OR (( segid " " and resid 1559 and name HA )) OR (( segid " " and resid 1546 and name HA )) ) 6.000 6.000 0.000 peak 5819 weight 0.10000E+01 volume 0.28400E+00 ppm1 7.826 ppm2 5.322 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1560 and name HE2 )) OR (( segid " " and resid 1560 and name HE1 )) OR (( segid " " and resid 1559 and name HB2 )) OR (( segid " " and resid 1547 and name HB )) ) 5.000 5.000 0.000 peak 5824 weight 0.10000E+01 volume 0.34000E+00 ppm1 7.827 ppm2 2.836 ASSI ( (( segid " " and resid 1550 and name HN )) )( (( segid " " and resid 1550 and name HA )) OR (( segid " " and resid 1549 and name HA )) ) 2.700 2.700 0.000 peak 5811 weight 0.10000E+01 volume 0.42950E+01 ppm1 8.512 ppm2 4.679 ASSI ( (( segid " " and resid 1550 and name HN )) )( (( segid " " and resid 1552 and name HN )) OR (( segid " " and resid 1551 and name HN )) ) 5.000 5.000 0.000 peak 4916 weight 0.10000E+01 volume 0.33300E+00 ppm1 8.512 ppm2 8.875 ASSI ( (( segid " " and resid 1551 and name HN )) )( (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) OR (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) ) 5.000 5.000 0.000 peak 5795 weight 0.10000E+01 volume 0.38800E+00 ppm1 8.850 ppm2 0.906 ASSI ( (( segid " " and resid 1551 and name HN )) )( (( segid " " and resid 1557 and name HA )) ) 6.000 6.000 0.000 peak 5798 weight 0.10000E+01 volume 0.19300E+00 ppm1 8.850 ppm2 4.432 ASSI ( (( segid " " and resid 1551 and name HN )) )( (( segid " " and resid 1550 and name HN )) ) 6.000 6.000 0.000 peak 4915 weight 0.10000E+01 volume 0.25200E+00 ppm1 8.855 ppm2 8.476 ASSI ( (( segid " " and resid 1551 and name HN )) )( (( segid " " and resid 1558 and name HN )) ) 5.000 5.000 0.000 peak 4913 weight 0.10000E+01 volume 0.76900E+00 ppm1 8.851 ppm2 8.964 ASSI ( (( segid " " and resid 1551 and name HN )) )( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) ) 5.000 5.000 0.000 peak 5794 weight 0.10000E+01 volume 0.56500E+00 ppm1 8.851 ppm2 0.366 ASSI ( (( segid " " and resid 1551 and name HN )) )( (( segid " " and resid 1558 and name HD2 )) OR (( segid " " and resid 1558 and name HD1 )) OR (( segid " " and resid 1550 and name HG11)) ) 5.000 5.000 0.000 peak 5796 weight 0.10000E+01 volume 0.67700E+00 ppm1 8.851 ppm2 1.504 ASSI ( (( segid " " and resid 1552 and name HN )) )( (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) ) 6.000 6.000 0.000 peak 5786 weight 0.10000E+01 volume 0.24200E+00 ppm1 8.822 ppm2 0.614 ASSI ( (( segid " " and resid 1552 and name HN )) )( (( segid " " and resid 1557 and name HA )) ) 6.000 6.000 0.000 peak 5792 weight 0.10000E+01 volume 0.19500E+00 ppm1 8.822 ppm2 4.433 ASSI ( (( segid " " and resid 1553 and name HN )) )( (( segid " " and resid 1552 and name HN )) OR (( segid " " and resid 1551 and name HN )) ) 5.000 5.000 0.000 peak 4910 weight 0.10000E+01 volume 0.44700E+00 ppm1 8.640 ppm2 8.874 ASSI ( (( segid " " and resid 1553 and name HN )) )( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) ) 5.000 5.000 0.000 peak 5779 weight 0.10000E+01 volume 0.33900E+00 ppm1 8.628 ppm2 0.390 ASSI ( (( segid " " and resid 1553 and name HN )) )( (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) OR (( segid " " and resid 1553 and name HB2 )) OR (( segid " " and resid 1553 and name HB1 )) ) 3.300 3.300 0.000 peak 5780 weight 0.10000E+01 volume 0.28550E+01 ppm1 8.635 ppm2 2.137 ASSI ( (( segid " " and resid 1554 and name HN )) )( (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) OR (( segid " " and resid 1553 and name HB2 )) OR (( segid " " and resid 1553 and name HB1 )) ) 3.300 3.300 0.000 peak 5777 weight 0.10000E+01 volume 0.22890E+01 ppm1 8.708 ppm2 2.144 ASSI ( (( segid " " and resid 1554 and name HD21)) )( (( segid " " and resid 1554 and name HN )) ) 6.000 6.000 0.000 peak 1822 weight 0.10000E+01 volume 0.13400E+00 ppm1 7.753 ppm2 8.698 ASSI ( (( segid " " and resid 1554 and name HD21)) )( (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) OR (( segid " " and resid 1553 and name HB2 )) OR (( segid " " and resid 1553 and name HB1 )) ) 6.000 6.000 0.000 peak 1821 weight 0.10000E+01 volume 0.14500E+00 ppm1 7.747 ppm2 2.126 ASSI ( (( segid " " and resid 1554 and name HD22)) )( (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) OR (( segid " " and resid 1553 and name HB2 )) OR (( segid " " and resid 1553 and name HB1 )) ) 6.000 6.000 0.000 peak 4784 weight 0.10000E+01 volume 0.22000E+00 ppm1 7.009 ppm2 2.125 ASSI ( (( segid " " and resid 1554 and name HD22)) )( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) OR (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG11)) OR (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) ) 6.000 6.000 0.000 peak 4786 weight 0.10000E+01 volume 0.10800E+00 ppm1 7.010 ppm2 0.882 ASSI ( (( segid " " and resid 1555 and name HN )) )( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) OR (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) OR (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) ) 6.000 6.000 0.000 peak 5759 weight 0.10000E+01 volume 0.19300E+00 ppm1 7.823 ppm2 0.882 ASSI ( (( segid " " and resid 1555 and name HN )) )( (( segid " " and resid 1553 and name HG2 )) OR (( segid " " and resid 1553 and name HG1 )) OR (( segid " " and resid 1553 and name HB2 )) OR (( segid " " and resid 1553 and name HB1 )) ) 6.000 6.000 0.000 peak 5761 weight 0.10000E+01 volume 0.29100E+00 ppm1 7.826 ppm2 2.140 ASSI ( (( segid " " and resid 1555 and name HN )) )( (( segid " " and resid 1554 and name HA )) ) 5.000 5.000 0.000 peak 5764 weight 0.10000E+01 volume 0.36100E+00 ppm1 7.827 ppm2 4.258 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) OR (( segid " " and resid 1557 and name HG13)) OR (( segid " " and resid 1557 and name HG12)) OR (( segid " " and resid 1557 and name HG11)) OR (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) ) 5.000 5.000 0.000 peak 4164 weight 0.10000E+01 volume 0.86400E+00 ppm1 8.040 ppm2 0.882 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1556 and name HB1 )) OR (( segid " " and resid 1554 and name HB2 )) OR (( segid " " and resid 1554 and name HB1 )) ) 3.300 3.300 0.000 peak 4160 weight 0.10000E+01 volume 0.17340E+01 ppm1 8.043 ppm2 2.990 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1554 and name HA )) OR (( segid " " and resid 1552 and name HA )) ) 6.000 6.000 0.000 peak 4158 weight 0.10000E+01 volume 0.17000E+00 ppm1 8.042 ppm2 4.257 ASSI ( (( segid " " and resid 1557 and name HN )) )( (( segid " " and resid 1585 and name HN )) OR (( segid " " and resid 1558 and name HN )) ) 6.000 6.000 0.000 peak 4904 weight 0.10000E+01 volume 0.23900E+00 ppm1 9.299 ppm2 8.919 ASSI ( (( segid " " and resid 1557 and name HN )) )( (( segid " " and resid 1585 and name HA )) OR (( segid " " and resid 1553 and name HA )) ) 5.000 5.000 0.000 peak 5751 weight 0.10000E+01 volume 0.32100E+00 ppm1 9.290 ppm2 4.656 ASSI ( (( segid " " and resid 1557 and name HN )) )( (( segid " " and resid 1621 and name HB2 )) OR (( segid " " and resid 1585 and name HG2 )) OR (( segid " " and resid 1583 and name HG11)) OR (( segid " " and resid 1583 and name HB )) ) 6.000 6.000 0.000 peak 5756 weight 0.10000E+01 volume 0.23700E+00 ppm1 9.293 ppm2 1.459 ASSI ( (( segid " " and resid 1558 and name HN )) )( (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1593 and name HB2 )) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) OR (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) ) 6.000 6.000 0.000 peak 5742 weight 0.10000E+01 volume 0.27500E+00 ppm1 8.923 ppm2 0.645 ASSI ( (( segid " " and resid 1559 and name HN )) )( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) OR (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 6.000 6.000 0.000 peak 4178 weight 0.10000E+01 volume 0.23800E+00 ppm1 9.484 ppm2 0.704 ASSI ( (( segid " " and resid 1559 and name HN )) )( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) OR (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 4177 weight 0.10000E+01 volume 0.88300E+00 ppm1 9.484 ppm2 1.087 ASSI ( (( segid " " and resid 1559 and name HN )) )( (( segid " " and resid 1618 and name HB )) OR (( segid " " and resid 1583 and name HG11)) OR (( segid " " and resid 1558 and name HD2 )) OR (( segid " " and resid 1558 and name HD1 )) OR (( segid " " and resid 1558 and name HB2 )) ) 5.000 5.000 0.000 peak 4174 weight 0.10000E+01 volume 0.78000E+00 ppm1 9.488 ppm2 1.533 ASSI ( (( segid " " and resid 1559 and name HN )) )( (( segid " " and resid 1560 and name HD2 )) OR (( segid " " and resid 1560 and name HD1 )) OR (( segid " " and resid 1558 and name HB1 )) ) 5.000 5.000 0.000 peak 4175 weight 0.10000E+01 volume 0.32800E+00 ppm1 9.487 ppm2 1.637 ASSI ( (( segid " " and resid 1559 and name HN )) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 6.000 6.000 0.000 peak 4167 weight 0.10000E+01 volume 0.15400E+00 ppm1 9.490 ppm2 7.143 ASSI ( (( segid " " and resid 1560 and name HN )) )( (( segid " " and resid 1551 and name HN )) ) 5.000 5.000 0.000 peak 8828 weight 0.10000E+01 volume 0.32100E+00 ppm1 8.685 ppm2 8.828 ASSI ( (( segid " " and resid 1560 and name HN )) )( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) ) 5.000 5.000 0.000 peak 5737 weight 0.10000E+01 volume 0.38500E+00 ppm1 8.680 ppm2 1.015 ASSI ( (( segid " " and resid 1560 and name HN )) )( (( segid " " and resid 1595 and name HE2 )) OR (( segid " " and resid 1582 and name HB2 )) OR (( segid " " and resid 1559 and name HB1 )) ) 6.000 6.000 0.000 peak 5732 weight 0.10000E+01 volume 0.25100E+00 ppm1 8.679 ppm2 3.060 ASSI ( (( segid " " and resid 1560 and name HN )) )( (( segid " " and resid 1560 and name HA )) ) 5.000 5.000 0.000 peak 5731 weight 0.10000E+01 volume 0.39400E+00 ppm1 8.684 ppm2 5.238 ASSI ( (( segid " " and resid 1561 and name HN )) )( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) OR (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) OR (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) ) 6.000 6.000 0.000 peak 5722 weight 0.10000E+01 volume 0.20400E+00 ppm1 9.338 ppm2 1.041 ASSI ( (( segid " " and resid 1561 and name HN )) )( (( segid " " and resid 1579 and name HG1 )) OR (( segid " " and resid 1547 and name HG11)) OR (( segid " " and resid 1545 and name HB )) ) 6.000 6.000 0.000 peak 5725 weight 0.10000E+01 volume 0.23400E+00 ppm1 9.328 ppm2 2.218 ASSI ( (( segid " " and resid 1562 and name HN )) )( (( segid " " and resid 1579 and name HG1 )) OR (( segid " " and resid 1545 and name HB )) ) 5.000 5.000 0.000 peak 5715 weight 0.10000E+01 volume 0.41400E+00 ppm1 9.075 ppm2 2.256 ASSI ( (( segid " " and resid 1562 and name HN )) )( (( segid " " and resid 1546 and name HB2 )) ) 6.000 6.000 0.000 peak 5714 weight 0.10000E+01 volume 0.22200E+00 ppm1 9.075 ppm2 3.639 ASSI ( (( segid " " and resid 1562 and name HN )) )( (( segid " " and resid 1577 and name HA )) OR (( segid " " and resid 1563 and name HA )) OR (( segid " " and resid 1548 and name HB )) ) 6.000 6.000 0.000 peak 5712 weight 0.10000E+01 volume 0.16900E+00 ppm1 9.075 ppm2 4.212 ASSI ( (( segid " " and resid 1562 and name HN )) )( (( segid " " and resid 1580 and name HN )) OR (( segid " " and resid 1561 and name HN )) OR (( segid " " and resid 1545 and name HN )) ) 5.000 5.000 0.000 peak 4897 weight 0.10000E+01 volume 0.41200E+00 ppm1 9.070 ppm2 9.343 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) OR (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) ) 6.000 6.000 0.000 peak 5696 weight 0.10000E+01 volume 0.21300E+00 ppm1 8.858 ppm2 0.660 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1580 and name HG12)) OR (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) OR (( segid " " and resid 1544 and name HG1 )) ) 6.000 6.000 0.000 peak 5697 weight 0.10000E+01 volume 0.20200E+00 ppm1 8.856 ppm2 0.774 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1563 and name HG )) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 5698 weight 0.10000E+01 volume 0.42500E+00 ppm1 8.858 ppm2 0.895 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) ) 2.700 2.700 0.000 peak 5699 weight 0.10000E+01 volume 0.30600E+01 ppm1 8.857 ppm2 1.049 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) ) 6.000 6.000 0.000 peak 5700 weight 0.10000E+01 volume 0.29300E+00 ppm1 8.855 ppm2 1.148 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1562 and name HN )) ) 6.000 6.000 0.000 peak 8473 weight 0.10000E+01 volume 0.25800E+00 ppm1 8.856 ppm2 9.096 ASSI ( (( segid " " and resid 1564 and name HN )) )( (( segid " " and resid 1578 and name HA )) OR (( segid " " and resid 1565 and name HA )) OR (( segid " " and resid 1547 and name HA )) ) 6.000 6.000 0.000 peak 5690 weight 0.10000E+01 volume 0.93000E-01 ppm1 8.734 ppm2 4.568 ASSI ( (( segid " " and resid 1564 and name HN )) )( (( segid " " and resid 1566 and name HG21)) OR (( segid " " and resid 1563 and name HG )) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 5684 weight 0.10000E+01 volume 0.33300E+00 ppm1 8.732 ppm2 0.896 ASSI ( (( segid " " and resid 1564 and name HN )) )( (( segid " " and resid 1566 and name HG11)) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) OR (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) ) 5.000 5.000 0.000 peak 5685 weight 0.10000E+01 volume 0.76700E+00 ppm1 8.731 ppm2 1.094 ASSI ( (( segid " " and resid 1565 and name HN )) )( (( segid " " and resid 1566 and name HG23)) OR (( segid " " and resid 1566 and name HG22)) OR (( segid " " and resid 1566 and name HG21)) OR (( segid " " and resid 1563 and name HG )) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 5680 weight 0.10000E+01 volume 0.34100E+00 ppm1 7.743 ppm2 0.902 ASSI ( (( segid " " and resid 1565 and name HN )) )( (( segid " " and resid 1601 and name HG12)) OR (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB1 )) OR (( segid " " and resid 1566 and name HG11)) OR (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) ) 5.000 5.000 0.000 peak 5681 weight 0.10000E+01 volume 0.43300E+00 ppm1 7.744 ppm2 1.061 ASSI ( (( segid " " and resid 1565 and name HN )) )( (( segid " " and resid 1577 and name HA )) OR (( segid " " and resid 1566 and name HA )) OR (( segid " " and resid 1563 and name HA )) ) 5.000 5.000 0.000 peak 5676 weight 0.10000E+01 volume 0.71500E+00 ppm1 7.745 ppm2 4.176 ASSI ( (( segid " " and resid 1566 and name HN )) )( (( segid " " and resid 1576 and name HD2 )) OR (( segid " " and resid 1576 and name HD1 )) ) 5.000 5.000 0.000 peak 5662 weight 0.10000E+01 volume 0.46000E+00 ppm1 8.440 ppm2 1.680 ASSI ( (( segid " " and resid 1566 and name HN )) )( (( segid " " and resid 1576 and name HE2 )) OR (( segid " " and resid 1576 and name HE1 )) OR (( segid " " and resid 1543 and name HB2 )) ) 6.000 6.000 0.000 peak 5660 weight 0.10000E+01 volume 0.27400E+00 ppm1 8.433 ppm2 3.011 ASSI ( (( segid " " and resid 1566 and name HN )) )( (( segid " " and resid 1569 and name HN )) OR (( segid " " and resid 1567 and name HN )) ) 5.000 5.000 0.000 peak 4889 weight 0.10000E+01 volume 0.32700E+00 ppm1 8.434 ppm2 8.591 ASSI ( (( segid " " and resid 1566 and name HN )) )( (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) ) 5.000 5.000 0.000 peak 5666 weight 0.10000E+01 volume 0.93400E+00 ppm1 8.440 ppm2 0.627 ASSI ( (( segid " " and resid 1567 and name HN )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) OR (( segid " " and resid 1566 and name HG12)) OR (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 5.000 5.000 0.000 peak 4195 weight 0.10000E+01 volume 0.34400E+00 ppm1 8.583 ppm2 0.659 ASSI ( (( segid " " and resid 1567 and name HN )) )( (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1574 and name HB1 )) OR (( segid " " and resid 1566 and name HG11)) OR (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1544 and name HE2 )) ) 6.000 6.000 0.000 peak 4193 weight 0.10000E+01 volume 0.27600E+00 ppm1 8.590 ppm2 1.066 ASSI ( (( segid " " and resid 1567 and name HN )) )( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) OR (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) OR (( segid " " and resid 1544 and name HB2 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) OR (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) ) 5.000 5.000 0.000 peak 4192 weight 0.10000E+01 volume 0.68700E+00 ppm1 8.584 ppm2 1.395 ASSI ( (( segid " " and resid 1567 and name HN )) )( (( segid " " and resid 1568 and name HD1 )) OR (( segid " " and resid 1568 and name HB2 )) OR (( segid " " and resid 1566 and name HB )) ) 5.000 5.000 0.000 peak 4191 weight 0.10000E+01 volume 0.34700E+00 ppm1 8.578 ppm2 1.548 ASSI ( (( segid " " and resid 1567 and name HN )) )( (( segid " " and resid 1543 and name HB2 )) ) 6.000 6.000 0.000 peak 4189 weight 0.10000E+01 volume 0.13500E+00 ppm1 8.589 ppm2 3.013 ASSI ( (( segid " " and resid 1567 and name HN )) )( (( segid " " and resid 1654 and name HA )) OR (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1565 and name HA )) OR (( segid " " and resid 1541 and name HA )) ) 5.000 5.000 0.000 peak 4186 weight 0.10000E+01 volume 0.36800E+00 ppm1 8.583 ppm2 4.547 ASSI ( (( segid " " and resid 1568 and name HN )) )( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) OR (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) OR (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) ) 3.300 3.300 0.000 peak 5649 weight 0.10000E+01 volume 0.15110E+01 ppm1 7.959 ppm2 1.395 ASSI ( (( segid " " and resid 1568 and name HN )) )( (( segid " " and resid 1567 and name HB2 )) OR (( segid " " and resid 1541 and name HB2 )) OR (( segid " " and resid 1541 and name HB1 )) ) 5.000 5.000 0.000 peak 5647 weight 0.10000E+01 volume 0.71100E+00 ppm1 7.959 ppm2 2.590 ASSI ( (( segid " " and resid 1568 and name HN )) )( (( segid " " and resid 1567 and name HN )) ) 3.300 3.300 0.000 peak 4886 weight 0.10000E+01 volume 0.22560E+01 ppm1 7.958 ppm2 8.583 ASSI ( (( segid " " and resid 1568 and name HN )) )( (( segid " " and resid 1543 and name HA )) ) 6.000 6.000 0.000 peak 5642 weight 0.10000E+01 volume 0.26900E+00 ppm1 7.958 ppm2 5.710 ASSI ( (( segid " " and resid 1569 and name HN )) )( (( segid " " and resid 1568 and name HB1 )) ) 5.000 5.000 0.000 peak 5641 weight 0.10000E+01 volume 0.73600E+00 ppm1 8.574 ppm2 1.703 ASSI ( (( segid " " and resid 1570 and name HN )) )( (( segid " " and resid 1541 and name HB2 )) OR (( segid " " and resid 1541 and name HB1 )) ) 5.000 5.000 0.000 peak 5622 weight 0.10000E+01 volume 0.71600E+00 ppm1 8.392 ppm2 2.569 ASSI ( (( segid " " and resid 1570 and name HN )) )( (( segid " " and resid 1568 and name HA )) OR (( segid " " and resid 1541 and name HA )) ) 5.000 5.000 0.000 peak 5619 weight 0.10000E+01 volume 0.44100E+00 ppm1 8.387 ppm2 4.561 ASSI ( (( segid " " and resid 1570 and name HN )) )( (( segid " " and resid 1576 and name HB2 )) OR (( segid " " and resid 1576 and name HB1 )) OR (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 6.000 6.000 0.000 peak 5623 weight 0.10000E+01 volume 0.26000E+00 ppm1 8.390 ppm2 1.637 ASSI ( (( segid " " and resid 1572 and name HN )) )( (( segid " " and resid 1573 and name HN )) ) 5.000 5.000 0.000 peak 4878 weight 0.10000E+01 volume 0.40200E+00 ppm1 7.949 ppm2 7.010 ASSI ( (( segid " " and resid 1572 and name HN )) )( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) ) 6.000 6.000 0.000 peak 5609 weight 0.10000E+01 volume 0.27600E+00 ppm1 7.954 ppm2 0.482 ASSI ( (( segid " " and resid 1572 and name HN )) )( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) OR (( segid " " and resid 1568 and name HG2 )) OR (( segid " " and resid 1568 and name HG1 )) ) 6.000 6.000 0.000 peak 5607 weight 0.10000E+01 volume 0.15100E+00 ppm1 7.954 ppm2 1.371 ASSI ( (( segid " " and resid 1573 and name HN )) )( (( segid " " and resid 1617 and name HE2 )) OR (( segid " " and resid 1617 and name HE1 )) OR (( segid " " and resid 1608 and name HE21)) OR (( segid " " and resid 1541 and name HD1 )) ) 5.000 5.000 0.000 peak 4877 weight 0.10000E+01 volume 0.41000E+00 ppm1 7.013 ppm2 6.789 ASSI ( (( segid " " and resid 1574 and name HN )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 6.000 6.000 0.000 peak 5594 weight 0.10000E+01 volume 0.20900E+00 ppm1 8.145 ppm2 0.106 ASSI ( (( segid " " and resid 1574 and name HN )) )( (( segid " " and resid 1569 and name HG23)) OR (( segid " " and resid 1569 and name HG22)) OR (( segid " " and resid 1569 and name HG21)) ) 6.000 6.000 0.000 peak 5592 weight 0.10000E+01 volume 0.21900E+00 ppm1 8.145 ppm2 1.370 ASSI ( (( segid " " and resid 1575 and name HN )) )( (( segid " " and resid 1573 and name HG23)) OR (( segid " " and resid 1573 and name HG22)) OR (( segid " " and resid 1573 and name HG21)) OR (( segid " " and resid 1563 and name HG )) ) 5.000 5.000 0.000 peak 5565 weight 0.10000E+01 volume 0.42600E+00 ppm1 7.841 ppm2 0.881 ASSI ( (( segid " " and resid 1575 and name HN )) )( (( segid " " and resid 1575 and name HA )) OR (( segid " " and resid 1574 and name HA )) ) 2.700 2.700 0.000 peak 2288 weight 0.10000E+01 volume 0.82290E+01 ppm1 7.840 ppm2 4.429 ASSI ( (( segid " " and resid 1575 and name HN )) )( (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) OR (( segid " " and resid 1566 and name HD13)) OR (( segid " " and resid 1566 and name HD12)) OR (( segid " " and resid 1566 and name HD11)) ) 5.000 5.000 0.000 peak 5566 weight 0.10000E+01 volume 0.31200E+00 ppm1 7.841 ppm2 0.616 ASSI ( (( segid " " and resid 1575 and name HN )) )( (( segid " " and resid 1578 and name HB2 )) OR (( segid " " and resid 1573 and name HA )) ) 6.000 6.000 0.000 peak 5560 weight 0.10000E+01 volume 0.23300E+00 ppm1 7.844 ppm2 3.795 ASSI ( (( segid " " and resid 1575 and name HN )) )( (( segid " " and resid 1570 and name HA1 )) ) 6.000 6.000 0.000 peak 5568 weight 0.10000E+01 volume 0.19600E+00 ppm1 7.840 ppm2 4.666 ASSI ( (( segid " " and resid 1575 and name HN )) )( (( segid " " and resid 1578 and name HB1 )) ) 5.000 5.000 0.000 peak 5559 weight 0.10000E+01 volume 0.30400E+00 ppm1 7.844 ppm2 3.993 ASSI ( (( segid " " and resid 1575 and name HN )) )( (( segid " " and resid 1578 and name HA )) OR (( segid " " and resid 1565 and name HA )) OR (( segid " " and resid 1541 and name HA )) ) 5.000 5.000 0.000 peak 5292 weight 0.10000E+01 volume 0.51300E+00 ppm1 7.840 ppm2 4.523 ASSI ( (( segid " " and resid 1576 and name HN )) )( (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1574 and name HB1 )) OR (( segid " " and resid 1566 and name HG11)) OR (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) ) 6.000 6.000 0.000 peak 5291 weight 0.10000E+01 volume 0.27800E+00 ppm1 8.889 ppm2 1.060 ASSI ( (( segid " " and resid 1577 and name HN )) )( (( segid " " and resid 1564 and name HA )) ) 5.000 5.000 0.000 peak 5547 weight 0.10000E+01 volume 0.34700E+00 ppm1 9.375 ppm2 4.300 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1566 and name HG11)) OR (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) ) 5.000 5.000 0.000 peak 5544 weight 0.10000E+01 volume 0.11670E+01 ppm1 7.667 ppm2 1.052 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1576 and name HD2 )) OR (( segid " " and resid 1576 and name HD1 )) OR (( segid " " and resid 1576 and name HB2 )) OR (( segid " " and resid 1576 and name HB1 )) OR (( segid " " and resid 1566 and name HB )) ) 6.000 6.000 0.000 peak 5543 weight 0.10000E+01 volume 0.29000E+00 ppm1 7.662 ppm2 1.636 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1579 and name HB2 )) OR (( segid " " and resid 1579 and name HB1 )) OR (( segid " " and resid 1575 and name HB1 )) ) 6.000 6.000 0.000 peak 5541 weight 0.10000E+01 volume 0.29500E+00 ppm1 7.665 ppm2 1.902 ASSI ( (( segid " " and resid 1579 and name HN )) )( (( segid " " and resid 1575 and name HB2 )) OR (( segid " " and resid 1563 and name HB1 )) ) 6.000 6.000 0.000 peak 5526 weight 0.10000E+01 volume 0.17300E+00 ppm1 8.273 ppm2 1.771 ASSI ( (( segid " " and resid 1579 and name HN )) )( (( segid " " and resid 1573 and name HG13)) OR (( segid " " and resid 1573 and name HG12)) OR (( segid " " and resid 1573 and name HG11)) OR (( segid " " and resid 1566 and name HG11)) OR (( segid " " and resid 1563 and name HB2 )) OR (( segid " " and resid 1562 and name HG23)) OR (( segid " " and resid 1562 and name HG22)) OR (( segid " " and resid 1562 and name HG21)) ) 6.000 6.000 0.000 peak 5527 weight 0.10000E+01 volume 0.19500E+00 ppm1 8.272 ppm2 1.016 ASSI ( (( segid " " and resid 1579 and name HN )) )( (( segid " " and resid 1579 and name HB2 )) OR (( segid " " and resid 1579 and name HB1 )) ) 2.700 2.700 0.000 peak 5525 weight 0.10000E+01 volume 0.50000E+01 ppm1 8.274 ppm2 1.926 ASSI ( (( segid " " and resid 1580 and name HN )) )( (( segid " " and resid 1580 and name HB )) OR (( segid " " and resid 1560 and name HD2 )) OR (( segid " " and resid 1560 and name HD1 )) ) 5.000 5.000 0.000 peak 5516 weight 0.10000E+01 volume 0.46100E+00 ppm1 9.348 ppm2 1.678 ASSI ( (( segid " " and resid 1580 and name HN )) )( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) OR (( segid " " and resid 1560 and name HG2 )) OR (( segid " " and resid 1560 and name HG1 )) ) 6.000 6.000 0.000 peak 5517 weight 0.10000E+01 volume 0.27100E+00 ppm1 9.347 ppm2 1.370 ASSI ( (( segid " " and resid 1580 and name HN )) )( (( segid " " and resid 1579 and name HG2 )) OR (( segid " " and resid 1579 and name HB2 )) OR (( segid " " and resid 1579 and name HB1 )) ) 5.000 5.000 0.000 peak 5515 weight 0.10000E+01 volume 0.88200E+00 ppm1 9.347 ppm2 1.948 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1618 and name HA )) ) 5.000 5.000 0.000 peak 5501 weight 0.10000E+01 volume 0.40600E+00 ppm1 8.320 ppm2 4.602 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) OR (( segid " " and resid 1583 and name HG12)) OR (( segid " " and resid 1580 and name HG12)) ) 6.000 6.000 0.000 peak 5508 weight 0.10000E+01 volume 0.17800E+00 ppm1 8.308 ppm2 0.792 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1582 and name HZ )) ) 5.000 5.000 0.000 peak 4863 weight 0.10000E+01 volume 0.39300E+00 ppm1 8.317 ppm2 6.837 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1580 and name HG11)) OR (( segid " " and resid 1563 and name HG )) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 6.000 6.000 0.000 peak 5505 weight 0.10000E+01 volume 0.29500E+00 ppm1 8.322 ppm2 0.926 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1580 and name HD13)) OR (( segid " " and resid 1580 and name HD12)) OR (( segid " " and resid 1580 and name HD11)) ) 6.000 6.000 0.000 peak 5507 weight 0.10000E+01 volume 0.19200E+00 ppm1 8.322 ppm2 0.154 ASSI ( (( segid " " and resid 1582 and name HN )) )( (( segid " " and resid 1621 and name HD13)) OR (( segid " " and resid 1621 and name HD12)) OR (( segid " " and resid 1621 and name HD11)) OR (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) OR (( segid " " and resid 1580 and name HG23)) OR (( segid " " and resid 1580 and name HG22)) OR (( segid " " and resid 1580 and name HG21)) ) 6.000 6.000 0.000 peak 4207 weight 0.10000E+01 volume 0.28500E+00 ppm1 9.399 ppm2 0.695 ASSI ( (( segid " " and resid 1582 and name HN )) )( (( segid " " and resid 1560 and name HE2 )) OR (( segid " " and resid 1560 and name HE1 )) OR (( segid " " and resid 1559 and name HB2 )) ) 5.000 5.000 0.000 peak 4204 weight 0.10000E+01 volume 0.42500E+00 ppm1 9.400 ppm2 2.881 ASSI ( (( segid " " and resid 1582 and name HN )) )( (( segid " " and resid 1580 and name HG11)) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 6.000 6.000 0.000 peak 4206 weight 0.10000E+01 volume 0.20600E+00 ppm1 9.392 ppm2 0.926 ASSI ( (( segid " " and resid 1582 and name HN )) )( (( segid " " and resid 1619 and name HD2 )) OR (( segid " " and resid 1619 and name HD1 )) OR (( segid " " and resid 1582 and name HZ )) OR (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 6.000 6.000 0.000 peak 4198 weight 0.10000E+01 volume 0.28000E+00 ppm1 9.404 ppm2 6.877 ASSI ( (( segid " " and resid 1582 and name HN )) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 5.000 5.000 0.000 peak 4197 weight 0.10000E+01 volume 0.13790E+01 ppm1 9.396 ppm2 7.143 ASSI ( (( segid " " and resid 1583 and name HN )) )( (( segid " " and resid 1621 and name HN )) OR (( segid " " and resid 1585 and name HN )) OR (( segid " " and resid 1558 and name HN )) ) 5.000 5.000 0.000 peak 4859 weight 0.10000E+01 volume 0.39000E+00 ppm1 8.592 ppm2 8.961 ASSI ( (( segid " " and resid 1583 and name HN )) )( (( segid " " and resid 1621 and name HB2 )) OR (( segid " " and resid 1618 and name HG11)) OR (( segid " " and resid 1583 and name HB )) ) 5.000 5.000 0.000 peak 5493 weight 0.10000E+01 volume 0.49100E+00 ppm1 8.598 ppm2 1.417 ASSI ( (( segid " " and resid 1584 and name HN )) )( (( segid " " and resid 1618 and name HB )) OR (( segid " " and resid 1558 and name HD2 )) OR (( segid " " and resid 1558 and name HD1 )) OR (( segid " " and resid 1558 and name HB2 )) OR (( segid " " and resid 1558 and name HB1 )) ) 5.000 5.000 0.000 peak 5484 weight 0.10000E+01 volume 0.39700E+00 ppm1 9.061 ppm2 1.548 ASSI ( (( segid " " and resid 1584 and name HN )) )( (( segid " " and resid 1585 and name HG1 )) OR (( segid " " and resid 1584 and name HG1 )) OR (( segid " " and resid 1557 and name HB )) ) 5.000 5.000 0.000 peak 5483 weight 0.10000E+01 volume 0.42200E+00 ppm1 9.060 ppm2 1.782 ASSI ( (( segid " " and resid 1584 and name HN )) )( (( segid " " and resid 1621 and name HB2 )) OR (( segid " " and resid 1583 and name HB )) ) 5.000 5.000 0.000 peak 5485 weight 0.10000E+01 volume 0.85100E+00 ppm1 9.059 ppm2 1.424 ASSI ( (( segid " " and resid 1584 and name HN )) )( (( segid " " and resid 1583 and name HD13)) OR (( segid " " and resid 1583 and name HD12)) OR (( segid " " and resid 1583 and name HD11)) ) 6.000 6.000 0.000 peak 5488 weight 0.10000E+01 volume 0.16900E+00 ppm1 9.056 ppm2 0.172 ASSI ( (( segid " " and resid 1585 and name HN )) )( (( segid " " and resid 1587 and name HN )) OR (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 6.000 6.000 0.000 peak 2267 weight 0.10000E+01 volume 0.23200E+00 ppm1 8.961 ppm2 7.153 ASSI ( (( segid " " and resid 1585 and name HN )) )( (( segid " " and resid 1585 and name HG1 )) OR (( segid " " and resid 1584 and name HG1 )) ) 3.300 3.300 0.000 peak 5282 weight 0.10000E+01 volume 0.17800E+01 ppm1 8.955 ppm2 1.770 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1588 and name HA )) OR (( segid " " and resid 1584 and name HA )) ) 6.000 6.000 0.000 peak 5466 weight 0.10000E+01 volume -0.24400E+00 ppm1 7.104 ppm2 5.164 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1621 and name HB2 )) OR (( segid " " and resid 1585 and name HG2 )) OR (( segid " " and resid 1512 and name HB3 )) OR (( segid " " and resid 1512 and name HB2 )) OR (( segid " " and resid 1512 and name HB1 )) ) 6.000 6.000 0.000 peak 5474 weight 0.10000E+01 volume -0.21600E+00 ppm1 7.104 ppm2 1.459 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1588 and name HB2 )) OR (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) OR (( segid " " and resid 1584 and name HE2 )) OR (( segid " " and resid 1556 and name HB1 )) ) 6.000 6.000 0.000 peak 5471 weight 0.10000E+01 volume -0.27100E+00 ppm1 7.109 ppm2 2.995 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1586 and name HB )) OR (( segid " " and resid 1584 and name HG1 )) ) 5.000 5.000 0.000 peak 5473 weight 0.10000E+01 volume -0.67900E+00 ppm1 7.104 ppm2 1.827 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1586 and name HA )) ) 5.000 5.000 0.000 peak 5469 weight 0.10000E+01 volume -0.39600E+00 ppm1 7.110 ppm2 3.768 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1588 and name HB1 )) ) 6.000 6.000 0.000 peak 5470 weight 0.10000E+01 volume -0.15800E+00 ppm1 7.107 ppm2 3.522 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) ) 6.000 6.000 0.000 peak 5477 weight 0.10000E+01 volume -0.98000E-01 ppm1 7.104 ppm2 0.527 ASSI ( (( segid " " and resid 1588 and name HN )) )( (( segid " " and resid 1591 and name HN )) ) 6.000 6.000 0.000 peak 6309 weight 0.10000E+01 volume 0.77000E-01 ppm1 7.726 ppm2 7.498 ASSI ( (( segid " " and resid 1588 and name HN )) )( (( segid " " and resid 1585 and name HG1 )) OR (( segid " " and resid 1584 and name HG1 )) OR (( segid " " and resid 1557 and name HB )) ) 5.000 5.000 0.000 peak 5460 weight 0.10000E+01 volume 0.43800E+00 ppm1 7.732 ppm2 1.785 ASSI ( (( segid " " and resid 1588 and name HN )) )( (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) OR (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) ) 5.000 5.000 0.000 peak 5459 weight 0.10000E+01 volume 0.11070E+01 ppm1 7.732 ppm2 2.016 ASSI ( (( segid " " and resid 1589 and name HN )) )( (( segid " " and resid 1590 and name HN )) ) 5.000 5.000 0.000 peak 4849 weight 0.10000E+01 volume 0.50000E+00 ppm1 8.030 ppm2 8.609 ASSI ( (( segid " " and resid 1590 and name HN )) )( (( segid " " and resid 1591 and name HA )) OR (( segid " " and resid 1589 and name HA )) ) 5.000 5.000 0.000 peak 5444 weight 0.10000E+01 volume 0.45900E+00 ppm1 8.622 ppm2 4.226 ASSI ( (( segid " " and resid 1590 and name HD21)) )( (( segid " " and resid 1592 and name HB1 )) OR (( segid " " and resid 1516 and name HB2 )) OR (( segid " " and resid 1516 and name HB1 )) ) 6.000 6.000 0.000 peak 4778 weight 0.10000E+01 volume 0.12500E+00 ppm1 7.608 ppm2 1.903 ASSI ( (( segid " " and resid 1590 and name HD21)) )( (( segid " " and resid 1592 and name HG1 )) OR (( segid " " and resid 1511 and name HE3 )) OR (( segid " " and resid 1511 and name HE2 )) OR (( segid " " and resid 1511 and name HE1 )) ) 6.000 6.000 0.000 peak 4777 weight 0.10000E+01 volume 0.16000E+00 ppm1 7.611 ppm2 2.126 ASSI ( (( segid " " and resid 1590 and name HD21)) )( (( segid " " and resid 1589 and name HB )) OR (( segid " " and resid 1517 and name HA )) OR (( segid " " and resid 1516 and name HA )) ) 6.000 6.000 0.000 peak 4772 weight 0.10000E+01 volume 0.23200E+00 ppm1 7.610 ppm2 4.479 ASSI ( (( segid " " and resid 1590 and name HD22)) )( (( segid " " and resid 1589 and name HB )) OR (( segid " " and resid 1517 and name HA )) OR (( segid " " and resid 1516 and name HA )) ) 6.000 6.000 0.000 peak 4769 weight 0.10000E+01 volume 0.13200E+00 ppm1 6.900 ppm2 4.437 ASSI ( (( segid " " and resid 1592 and name HN )) )( (( segid " " and resid 1590 and name HA )) ) 6.000 6.000 0.000 peak 5430 weight 0.10000E+01 volume 0.22400E+00 ppm1 7.944 ppm2 4.817 ASSI ( (( segid " " and resid 1593 and name HN )) )( (( segid " " and resid 1559 and name HE2 )) OR (( segid " " and resid 1559 and name HE1 )) ) 5.000 5.000 0.000 peak 4842 weight 0.10000E+01 volume 0.61000E+00 ppm1 6.471 ppm2 6.651 ASSI ( (( segid " " and resid 1594 and name HN )) )( (( segid " " and resid 1599 and name HB2 )) OR (( segid " " and resid 1597 and name HB1 )) OR (( segid " " and resid 1547 and name HG11)) ) 5.000 5.000 0.000 peak 5408 weight 0.10000E+01 volume 0.46500E+00 ppm1 7.909 ppm2 2.215 ASSI ( (( segid " " and resid 1594 and name HN )) )( (( segid " " and resid 1599 and name HB1 )) OR (( segid " " and resid 1597 and name HD1 )) OR (( segid " " and resid 1559 and name HB2 )) OR (( segid " " and resid 1547 and name HB )) ) 6.000 6.000 0.000 peak 5407 weight 0.10000E+01 volume 0.27200E+00 ppm1 7.909 ppm2 2.838 ASSI ( (( segid " " and resid 1594 and name HN )) )( (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 4840 weight 0.10000E+01 volume 0.93200E+00 ppm1 7.906 ppm2 6.766 ASSI ( (( segid " " and resid 1595 and name HN )) )( (( segid " " and resid 1593 and name HB2 )) OR (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD12)) OR (( segid " " and resid 1547 and name HD11)) ) 6.000 6.000 0.000 peak 5404 weight 0.10000E+01 volume 0.17300E+00 ppm1 8.530 ppm2 0.571 ASSI ( (( segid " " and resid 1596 and name HN )) )( (( segid " " and resid 1597 and name HA )) OR (( segid " " and resid 1548 and name HA )) ) 5.000 5.000 0.000 peak 5385 weight 0.10000E+01 volume 0.39300E+00 ppm1 9.158 ppm2 4.612 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) OR (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) ) 6.000 6.000 0.000 peak 5379 weight 0.10000E+01 volume 0.26700E+00 ppm1 8.031 ppm2 1.370 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1595 and name HG2 )) OR (( segid " " and resid 1595 and name HG1 )) OR (( segid " " and resid 1550 and name HG12)) OR (( segid " " and resid 1548 and name HG23)) OR (( segid " " and resid 1548 and name HG22)) OR (( segid " " and resid 1548 and name HG21)) OR (( segid " " and resid 1547 and name HG12)) ) 5.000 5.000 0.000 peak 5380 weight 0.10000E+01 volume 0.32400E+00 ppm1 8.030 ppm2 1.282 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 4836 weight 0.10000E+01 volume 0.60600E+00 ppm1 8.033 ppm2 6.772 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1598 and name HN )) OR (( segid " " and resid 1547 and name HN )) ) 5.000 5.000 0.000 peak 4835 weight 0.10000E+01 volume 0.61900E+00 ppm1 8.034 ppm2 8.475 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1597 and name HG1 )) OR (( segid " " and resid 1597 and name HB2 )) ) 3.300 3.300 0.000 peak 5378 weight 0.10000E+01 volume 0.15660E+01 ppm1 8.035 ppm2 1.593 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1598 and name HG1 )) OR (( segid " " and resid 1598 and name HB1 )) OR (( segid " " and resid 1597 and name HD2 )) ) 6.000 6.000 0.000 peak 5375 weight 0.10000E+01 volume 0.26300E+00 ppm1 8.029 ppm2 2.569 ASSI ( (( segid " " and resid 1598 and name HN )) )( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1599 and name HB2 )) OR (( segid " " and resid 1597 and name HB1 )) OR (( segid " " and resid 1547 and name HG11)) ) 5.000 5.000 0.000 peak 5360 weight 0.10000E+01 volume 0.80400E+00 ppm1 8.490 ppm2 2.233 ASSI ( (( segid " " and resid 1598 and name HN )) )( (( segid " " and resid 1632 and name HG1 )) OR (( segid " " and resid 1632 and name HB2 )) OR (( segid " " and resid 1598 and name HB2 )) OR (( segid " " and resid 1597 and name HG2 )) ) 5.000 5.000 0.000 peak 5362 weight 0.10000E+01 volume 0.11840E+01 ppm1 8.488 ppm2 1.756 ASSI ( (( segid " " and resid 1598 and name HN )) )( (( segid " " and resid 1633 and name HB2 )) OR (( segid " " and resid 1633 and name HB1 )) OR (( segid " " and resid 1599 and name HB1 )) OR (( segid " " and resid 1597 and name HD1 )) OR (( segid " " and resid 1547 and name HB )) ) 6.000 6.000 0.000 peak 5358 weight 0.10000E+01 volume 0.17200E+00 ppm1 8.488 ppm2 2.880 ASSI ( (( segid " " and resid 1598 and name HN )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) ) 5.000 5.000 0.000 peak 4833 weight 0.10000E+01 volume 0.93800E+00 ppm1 8.489 ppm2 6.832 ASSI ( (( segid " " and resid 1598 and name HN )) )( (( segid " " and resid 1598 and name HG1 )) OR (( segid " " and resid 1598 and name HB1 )) OR (( segid " " and resid 1597 and name HD2 )) ) 3.300 3.300 0.000 peak 5359 weight 0.10000E+01 volume 0.21570E+01 ppm1 8.488 ppm2 2.570 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) OR (( segid " " and resid 1593 and name HB1 )) OR (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) OR (( segid " " and resid 1544 and name HD1 )) OR (( segid " " and resid 1544 and name HG2 )) OR (( segid " " and resid 1544 and name HG1 )) ) 5.000 5.000 0.000 peak 4224 weight 0.10000E+01 volume 0.38000E+00 ppm1 8.792 ppm2 0.749 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) OR (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 4223 weight 0.10000E+01 volume 0.12020E+01 ppm1 8.788 ppm2 0.900 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1631 and name HD2 )) OR (( segid " " and resid 1630 and name HB1 )) ) 6.000 6.000 0.000 peak 4217 weight 0.10000E+01 volume 0.18400E+00 ppm1 8.790 ppm2 3.059 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1600 and name HA )) OR (( segid " " and resid 1561 and name HA )) OR (( segid " " and resid 1544 and name HA )) ) 5.000 5.000 0.000 peak 4214 weight 0.10000E+01 volume 0.34900E+00 ppm1 8.789 ppm2 5.633 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1598 and name HE22)) ) 6.000 6.000 0.000 peak 4212 weight 0.10000E+01 volume 0.17200E+00 ppm1 8.790 ppm2 6.611 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1598 and name HN )) OR (( segid " " and resid 1547 and name HN )) ) 5.000 5.000 0.000 peak 4210 weight 0.10000E+01 volume 0.56700E+00 ppm1 8.792 ppm2 8.475 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1600 and name HN )) ) 6.000 6.000 0.000 peak 4209 weight 0.10000E+01 volume 0.22300E+00 ppm1 8.788 ppm2 9.896 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1598 and name HG1 )) OR (( segid " " and resid 1598 and name HB1 )) ) 5.000 5.000 0.000 peak 4219 weight 0.10000E+01 volume 0.68900E+00 ppm1 8.789 ppm2 2.571 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1630 and name HB2 )) ) 5.000 5.000 0.000 peak 5343 weight 0.10000E+01 volume 0.40900E+00 ppm1 9.884 ppm2 2.745 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1629 and name HA )) ) 6.000 6.000 0.000 peak 5340 weight 0.10000E+01 volume 0.24800E+00 ppm1 9.887 ppm2 4.522 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1631 and name HG2 )) OR (( segid " " and resid 1628 and name HB2 )) OR (( segid " " and resid 1598 and name HB2 )) OR (( segid " " and resid 1597 and name HG2 )) OR (( segid " " and resid 1517 and name HB2 )) ) 6.000 6.000 0.000 peak 5347 weight 0.10000E+01 volume 0.28700E+00 ppm1 9.885 ppm2 1.769 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1631 and name HD2 )) OR (( segid " " and resid 1630 and name HB1 )) ) 5.000 5.000 0.000 peak 5341 weight 0.10000E+01 volume 0.30800E+00 ppm1 9.882 ppm2 3.052 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1630 and name HA )) ) 6.000 6.000 0.000 peak 5339 weight 0.10000E+01 volume 0.13500E+00 ppm1 9.895 ppm2 4.791 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1628 and name HB1 )) OR (( segid " " and resid 1602 and name HG1 )) ) 5.000 5.000 0.000 peak 5324 weight 0.10000E+01 volume 0.30200E+00 ppm1 9.416 ppm2 2.431 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1601 and name HB )) OR (( segid " " and resid 1600 and name HG )) ) 5.000 5.000 0.000 peak 5326 weight 0.10000E+01 volume 0.13660E+01 ppm1 9.414 ppm2 1.637 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1600 and name HB2 )) OR (( segid " " and resid 1544 and name HB1 )) ) 5.000 5.000 0.000 peak 5325 weight 0.10000E+01 volume 0.39000E+00 ppm1 9.413 ppm2 2.036 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1630 and name HE3 )) ) 6.000 6.000 0.000 peak 5322 weight 0.10000E+01 volume 0.16800E+00 ppm1 9.420 ppm2 7.499 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1542 and name HA )) ) 6.000 6.000 0.000 peak 5323 weight 0.10000E+01 volume 0.14300E+00 ppm1 9.415 ppm2 5.097 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1600 and name HA )) OR (( segid " " and resid 1544 and name HA )) ) 2.700 2.700 0.000 peak 4820 weight 0.10000E+01 volume 0.36960E+01 ppm1 9.412 ppm2 5.651 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1627 and name HG12)) OR (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) OR (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 6.000 6.000 0.000 peak 4819 weight 0.10000E+01 volume 0.22600E+00 ppm1 8.980 ppm2 0.704 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1602 and name HG2 )) ) 5.000 5.000 0.000 peak 4811 weight 0.10000E+01 volume 0.57200E+00 ppm1 8.982 ppm2 2.312 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1601 and name HB )) OR (( segid " " and resid 1600 and name HG )) OR (( segid " " and resid 1540 and name HB1 )) OR (( segid " " and resid 1539 and name HG11)) ) 5.000 5.000 0.000 peak 4814 weight 0.10000E+01 volume 0.31800E+00 ppm1 8.989 ppm2 1.638 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1601 and name HG11)) OR (( segid " " and resid 1568 and name HB2 )) OR (( segid " " and resid 1518 and name HG1 )) ) 5.000 5.000 0.000 peak 4815 weight 0.10000E+01 volume 0.45600E+00 ppm1 8.986 ppm2 1.502 ASSI ( (( segid " " and resid 1604 and name HN )) )( (( segid " " and resid 1604 and name HG2 )) OR (( segid " " and resid 1604 and name HG1 )) OR (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) OR (( segid " " and resid 1539 and name HG11)) ) 5.000 5.000 0.000 peak 2458 weight 0.10000E+01 volume 0.74000E+00 ppm1 8.602 ppm2 1.632 ASSI ( (( segid " " and resid 1605 and name HN )) )( (( segid " " and resid 1620 and name HG1 )) OR (( segid " " and resid 1620 and name HB1 )) OR (( segid " " and resid 1571 and name HG2 )) OR (( segid " " and resid 1539 and name HB )) ) 6.000 6.000 0.000 peak 2451 weight 0.10000E+01 volume 0.23500E+00 ppm1 8.288 ppm2 2.214 ASSI ( (( segid " " and resid 1605 and name HN )) )( (( segid " " and resid 1605 and name HG2 )) ) 5.000 5.000 0.000 peak 2450 weight 0.10000E+01 volume 0.51400E+00 ppm1 8.288 ppm2 2.347 ASSI ( (( segid " " and resid 1605 and name HN )) )( (( segid " " and resid 1541 and name HE1 )) ) 6.000 6.000 0.000 peak 2446 weight 0.10000E+01 volume 0.14900E+00 ppm1 8.288 ppm2 7.187 ASSI ( (( segid " " and resid 1605 and name HN )) )( (( segid " " and resid 1607 and name HN )) OR (( segid " " and resid 1540 and name HN )) ) 5.000 5.000 0.000 peak 2448 weight 0.10000E+01 volume 0.35000E+00 ppm1 8.289 ppm2 8.742 ASSI ( (( segid " " and resid 1606 and name HN )) )( (( segid " " and resid 1605 and name HB2 )) OR (( segid " " and resid 1571 and name HB1 )) ) 5.000 5.000 0.000 peak 2429 weight 0.10000E+01 volume 0.46200E+00 ppm1 7.553 ppm2 1.923 ASSI ( (( segid " " and resid 1607 and name HN )) )( (( segid " " and resid 1618 and name HG12)) ) 6.000 6.000 0.000 peak 2423 weight 0.10000E+01 volume 0.23200E+00 ppm1 8.756 ppm2 0.952 ASSI ( (( segid " " and resid 1607 and name HN )) )( (( segid " " and resid 1620 and name HD1 )) ) 5.000 5.000 0.000 peak 2418 weight 0.10000E+01 volume 0.81100E+00 ppm1 8.755 ppm2 4.123 ASSI ( (( segid " " and resid 1607 and name HN )) )( (( segid " " and resid 1607 and name HG )) OR (( segid " " and resid 1607 and name HB1 )) ) 3.300 3.300 0.000 peak 2421 weight 0.10000E+01 volume 0.23140E+01 ppm1 8.755 ppm2 1.619 ASSI ( (( segid " " and resid 1608 and name HE21)) )( (( segid " " and resid 1608 and name HG2 )) OR (( segid " " and resid 1608 and name HB2 )) OR (( segid " " and resid 1608 and name HB1 )) ) 5.000 5.000 0.000 peak 4764 weight 0.10000E+01 volume 0.40500E+00 ppm1 6.761 ppm2 1.726 ASSI ( (( segid " " and resid 1608 and name HE22)) )( (( segid " " and resid 1608 and name HG2 )) OR (( segid " " and resid 1608 and name HB2 )) OR (( segid " " and resid 1608 and name HB1 )) ) 5.000 5.000 0.000 peak 4762 weight 0.10000E+01 volume 0.47400E+00 ppm1 6.442 ppm2 1.718 ASSI ( (( segid " " and resid 1609 and name HN )) )( (( segid " " and resid 1609 and name HA )) OR (( segid " " and resid 1607 and name HA )) ) 5.000 5.000 0.000 peak 2395 weight 0.10000E+01 volume 0.70200E+00 ppm1 8.858 ppm2 4.433 ASSI ( (( segid " " and resid 1609 and name HN )) )( (( segid " " and resid 1618 and name HG12)) ) 6.000 6.000 0.000 peak 2397 weight 0.10000E+01 volume 0.26800E+00 ppm1 8.854 ppm2 0.987 ASSI ( (( segid " " and resid 1609 and name HN )) )( (( segid " " and resid 1616 and name HB1 )) OR (( segid " " and resid 1610 and name HB1 )) OR (( segid " " and resid 1609 and name HB )) OR (( segid " " and resid 1608 and name HG2 )) OR (( segid " " and resid 1608 and name HB2 )) OR (( segid " " and resid 1608 and name HB1 )) OR (( segid " " and resid 1607 and name HB1 )) ) 5.000 5.000 0.000 peak 2396 weight 0.10000E+01 volume 0.98100E+00 ppm1 8.856 ppm2 1.704 ASSI ( (( segid " " and resid 1611 and name HN )) )( (( segid " " and resid 1614 and name HN )) ) 6.000 6.000 0.000 peak 2365 weight 0.10000E+01 volume 0.20900E+00 ppm1 8.258 ppm2 7.898 ASSI ( (( segid " " and resid 1611 and name HN )) )( (( segid " " and resid 1615 and name HA )) ) 5.000 5.000 0.000 peak 2364 weight 0.10000E+01 volume 0.54000E+00 ppm1 8.258 ppm2 5.278 ASSI ( (( segid " " and resid 1613 and name HN )) )( (( segid " " and resid 1612 and name HA )) ) 5.000 5.000 0.000 peak 2341 weight 0.10000E+01 volume 0.44600E+00 ppm1 8.201 ppm2 4.029 ASSI ( (( segid " " and resid 1614 and name HN )) )( (( segid " " and resid 1614 and name HA )) ) 5.000 5.000 0.000 peak 2328 weight 0.10000E+01 volume 0.84500E+00 ppm1 7.902 ppm2 4.523 ASSI ( (( segid " " and resid 1614 and name HN )) )( (( segid " " and resid 1613 and name HB3 )) OR (( segid " " and resid 1613 and name HB2 )) OR (( segid " " and resid 1613 and name HB1 )) ) 5.000 5.000 0.000 peak 2332 weight 0.10000E+01 volume 0.43600E+00 ppm1 7.899 ppm2 1.370 ASSI ( (( segid " " and resid 1614 and name HN )) )( (( segid " " and resid 1613 and name HA )) OR (( segid " " and resid 1610 and name HA )) ) 5.000 5.000 0.000 peak 1389 weight 0.10000E+01 volume 0.88400E+00 ppm1 7.903 ppm2 4.257 ASSI ( (( segid " " and resid 1614 and name HN )) )( (( segid " " and resid 1613 and name HN )) OR (( segid " " and resid 1611 and name HN )) ) 5.000 5.000 0.000 peak 2333 weight 0.10000E+01 volume 0.96400E+00 ppm1 7.903 ppm2 8.232 ASSI ( (( segid " " and resid 1615 and name HN )) )( (( segid " " and resid 1614 and name HB2 )) OR (( segid " " and resid 1614 and name HB1 )) ) 5.000 5.000 0.000 peak 2322 weight 0.10000E+01 volume 0.11250E+01 ppm1 8.422 ppm2 3.812 ASSI ( (( segid " " and resid 1615 and name HN )) )( (( segid " " and resid 1616 and name HA )) OR (( segid " " and resid 1614 and name HA )) ) 3.300 3.300 0.000 peak 2320 weight 0.10000E+01 volume 0.15910E+01 ppm1 8.422 ppm2 4.523 ASSI ( (( segid " " and resid 1615 and name HN )) )( (( segid " " and resid 1615 and name HD2 )) OR (( segid " " and resid 1615 and name HD1 )) ) 6.000 6.000 0.000 peak 2325 weight 0.10000E+01 volume 0.27600E+00 ppm1 8.426 ppm2 6.921 ASSI ( (( segid " " and resid 1615 and name HN )) )( (( segid " " and resid 1611 and name HN )) ) 5.000 5.000 0.000 peak 2327 weight 0.10000E+01 volume 0.60400E+00 ppm1 8.426 ppm2 8.279 ASSI ( (( segid " " and resid 1616 and name HN )) )( (( segid " " and resid 1610 and name HA )) ) 6.000 6.000 0.000 peak 2310 weight 0.10000E+01 volume 0.19700E+00 ppm1 8.931 ppm2 4.258 ASSI ( (( segid " " and resid 1616 and name HN )) )( (( segid " " and resid 1617 and name HN )) OR (( segid " " and resid 1615 and name HN )) OR (( segid " " and resid 1608 and name HN )) ) 6.000 6.000 0.000 peak 2314 weight 0.10000E+01 volume 0.29500E+00 ppm1 8.931 ppm2 8.431 ASSI ( (( segid " " and resid 1616 and name HN )) )( (( segid " " and resid 1618 and name HG11)) OR (( segid " " and resid 1616 and name HG2 )) OR (( segid " " and resid 1616 and name HG1 )) OR (( segid " " and resid 1607 and name HB2 )) ) 5.000 5.000 0.000 peak 2319 weight 0.10000E+01 volume 0.36300E+00 ppm1 8.931 ppm2 1.416 ASSI ( (( segid " " and resid 1616 and name HN )) )( (( segid " " and resid 1616 and name HB2 )) OR (( segid " " and resid 1610 and name HD2 )) OR (( segid " " and resid 1610 and name HD1 )) OR (( segid " " and resid 1610 and name HB2 )) ) 5.000 5.000 0.000 peak 2318 weight 0.10000E+01 volume 0.64800E+00 ppm1 8.932 ppm2 1.523 ASSI ( (( segid " " and resid 1616 and name HN )) )( (( segid " " and resid 1616 and name HB1 )) OR (( segid " " and resid 1610 and name HB1 )) OR (( segid " " and resid 1609 and name HB )) OR (( segid " " and resid 1608 and name HG2 )) OR (( segid " " and resid 1608 and name HB2 )) ) 5.000 5.000 0.000 peak 2317 weight 0.10000E+01 volume 0.73400E+00 ppm1 8.932 ppm2 1.726 ASSI ( (( segid " " and resid 1617 and name HN )) )( (( segid " " and resid 1618 and name HG11)) OR (( segid " " and resid 1616 and name HG2 )) OR (( segid " " and resid 1616 and name HG1 )) ) 6.000 6.000 0.000 peak 2308 weight 0.10000E+01 volume 0.22600E+00 ppm1 8.441 ppm2 1.415 ASSI ( (( segid " " and resid 1617 and name HN )) )( (( segid " " and resid 1610 and name HN )) ) 6.000 6.000 0.000 peak 2301 weight 0.10000E+01 volume 0.29800E+00 ppm1 8.443 ppm2 8.608 ASSI ( (( segid " " and resid 1617 and name HN )) )( (( segid " " and resid 1618 and name HB )) OR (( segid " " and resid 1616 and name HB2 )) OR (( segid " " and resid 1610 and name HB2 )) ) 5.000 5.000 0.000 peak 2307 weight 0.10000E+01 volume 0.42300E+00 ppm1 8.440 ppm2 1.547 ASSI ( (( segid " " and resid 1617 and name HN )) )( (( segid " " and resid 1616 and name HB1 )) OR (( segid " " and resid 1608 and name HG2 )) OR (( segid " " and resid 1608 and name HB2 )) OR (( segid " " and resid 1608 and name HB1 )) ) 5.000 5.000 0.000 peak 2306 weight 0.10000E+01 volume 0.83300E+00 ppm1 8.441 ppm2 1.747 ASSI ( (( segid " " and resid 1617 and name HN )) )( (( segid " " and resid 1617 and name HB1 )) OR (( segid " " and resid 1615 and name HB2 )) ) 5.000 5.000 0.000 peak 2304 weight 0.10000E+01 volume 0.99200E+00 ppm1 8.440 ppm2 2.670 ASSI ( (( segid " " and resid 1618 and name HN )) )( (( segid " " and resid 1617 and name HB2 )) ) 5.000 5.000 0.000 peak 2291 weight 0.10000E+01 volume 0.60300E+00 ppm1 8.764 ppm2 2.362 ASSI ( (( segid " " and resid 1618 and name HN )) )( (( segid " " and resid 1619 and name HB2 )) OR (( segid " " and resid 1617 and name HB1 )) OR (( segid " " and resid 1615 and name HB2 )) OR (( segid " " and resid 1615 and name HB1 )) ) 5.000 5.000 0.000 peak 2295 weight 0.10000E+01 volume 0.48000E+00 ppm1 8.759 ppm2 2.661 ASSI ( (( segid " " and resid 1618 and name HN )) )( (( segid " " and resid 1618 and name HD13)) OR (( segid " " and resid 1618 and name HD12)) OR (( segid " " and resid 1618 and name HD11)) OR (( segid " " and resid 1618 and name HG23)) OR (( segid " " and resid 1618 and name HG22)) OR (( segid " " and resid 1618 and name HG21)) OR (( segid " " and resid 1609 and name HD13)) OR (( segid " " and resid 1609 and name HD12)) OR (( segid " " and resid 1609 and name HD11)) OR (( segid " " and resid 1609 and name HG23)) OR (( segid " " and resid 1609 and name HG22)) OR (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1572 and name HB1 )) ) 5.000 5.000 0.000 peak 2293 weight 0.10000E+01 volume 0.86000E+00 ppm1 8.763 ppm2 0.691 ASSI ( (( segid " " and resid 1619 and name HN )) )( (( segid " " and resid 1620 and name HD2 )) OR (( segid " " and resid 1606 and name HA )) OR (( segid " " and resid 1581 and name HB )) ) 5.000 5.000 0.000 peak 2282 weight 0.10000E+01 volume 0.38600E+00 ppm1 8.900 ppm2 3.990 ASSI ( (( segid " " and resid 1619 and name HN )) )( (( segid " " and resid 1582 and name HE2 )) OR (( segid " " and resid 1582 and name HE1 )) OR (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) OR (( segid " " and resid 1541 and name HE1 )) ) 6.000 6.000 0.000 peak 2287 weight 0.10000E+01 volume 0.27300E+00 ppm1 8.914 ppm2 7.143 ASSI ( (( segid " " and resid 1621 and name HN )) )( (( segid " " and resid 1583 and name HN )) ) 6.000 6.000 0.000 peak 2265 weight 0.10000E+01 volume 0.26900E+00 ppm1 8.981 ppm2 8.607 ASSI ( (( segid " " and resid 1622 and name HN )) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) ) 5.000 5.000 0.000 peak 2256 weight 0.10000E+01 volume 0.70900E+00 ppm1 9.103 ppm2 1.365 ASSI ( (( segid " " and resid 1622 and name HN )) )( (( segid " " and resid 1622 and name HA )) ) 5.000 5.000 0.000 peak 2258 weight 0.10000E+01 volume 0.71000E+00 ppm1 9.099 ppm2 4.879 ASSI ( (( segid " " and resid 1622 and name HN )) )( (( segid " " and resid 1624 and name HN )) OR (( segid " " and resid 1515 and name HN )) ) 6.000 6.000 0.000 peak 2262 weight 0.10000E+01 volume 0.23200E+00 ppm1 9.090 ppm2 8.385 ASSI ( (( segid " " and resid 1622 and name HN )) )( (( segid " " and resid 1621 and name HB1 )) OR (( segid " " and resid 1620 and name HB2 )) OR (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) ) 6.000 6.000 0.000 peak 2255 weight 0.10000E+01 volume 0.22500E+00 ppm1 9.099 ppm2 2.080 ASSI ( (( segid " " and resid 1623 and name HN )) )( (( segid " " and resid 1515 and name HA2 )) ) 6.000 6.000 0.000 peak 2239 weight 0.10000E+01 volume 0.19800E+00 ppm1 7.848 ppm2 3.413 ASSI ( (( segid " " and resid 1623 and name HN )) )( (( segid " " and resid 1623 and name HB1 )) OR (( segid " " and resid 1623 and name HA )) ) 3.300 3.300 0.000 peak 2234 weight 0.10000E+01 volume 0.19510E+01 ppm1 7.839 ppm2 3.990 ASSI ( (( segid " " and resid 1624 and name HN )) )( (( segid " " and resid 1622 and name HB1 )) ) 6.000 6.000 0.000 peak 4795 weight 0.10000E+01 volume 0.26000E+00 ppm1 8.382 ppm2 3.275 ASSI ( (( segid " " and resid 1624 and name HN )) )( (( segid " " and resid 1625 and name HB )) OR (( segid " " and resid 1623 and name HB1 )) OR (( segid " " and resid 1623 and name HA )) ) 5.000 5.000 0.000 peak 4794 weight 0.10000E+01 volume 0.86000E+00 ppm1 8.382 ppm2 3.991 ASSI ( (( segid " " and resid 1624 and name HN )) )( (( segid " " and resid 1624 and name HG )) OR (( segid " " and resid 1624 and name HB2 )) OR (( segid " " and resid 1624 and name HB1 )) ) 2.700 2.700 0.000 peak 4796 weight 0.10000E+01 volume 0.36520E+01 ppm1 8.383 ppm2 1.726 ASSI ( (( segid " " and resid 1625 and name HN )) )( (( segid " " and resid 1515 and name HA1 )) ) 6.000 6.000 0.000 peak 2219 weight 0.10000E+01 volume 0.15600E+00 ppm1 7.696 ppm2 4.256 ASSI ( (( segid " " and resid 1625 and name HN )) )( (( segid " " and resid 1623 and name HN )) ) 5.000 5.000 0.000 peak 2225 weight 0.10000E+01 volume 0.51400E+00 ppm1 7.696 ppm2 7.853 ASSI ( (( segid " " and resid 1626 and name HN )) )( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) ) 5.000 5.000 0.000 peak 2195 weight 0.10000E+01 volume 0.44600E+00 ppm1 9.643 ppm2 2.128 ASSI ( (( segid " " and resid 1626 and name HN )) )( (( segid " " and resid 1625 and name HB )) OR (( segid " " and resid 1603 and name HA2 )) OR (( segid " " and resid 1539 and name HA )) ) 5.000 5.000 0.000 peak 2193 weight 0.10000E+01 volume 0.47300E+00 ppm1 9.644 ppm2 3.963 ASSI ( (( segid " " and resid 1626 and name HE1 )) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1601 and name HG11)) OR (( segid " " and resid 1518 and name HG1 )) ) 6.000 6.000 0.000 peak 2232 weight 0.10000E+01 volume 0.22700E+00 ppm1 10.835 ppm2 1.490 ASSI ( (( segid " " and resid 1626 and name HE1 )) )( (( segid " " and resid 1601 and name HB )) OR (( segid " " and resid 1600 and name HG )) OR (( segid " " and resid 1539 and name HG11)) ) 5.000 5.000 0.000 peak 2231 weight 0.10000E+01 volume 0.32700E+00 ppm1 10.824 ppm2 1.608 ASSI ( (( segid " " and resid 1626 and name HE1 )) )( (( segid " " and resid 1628 and name HG2 )) OR (( segid " " and resid 1602 and name HG2 )) ) 5.000 5.000 0.000 peak 2213 weight 0.10000E+01 volume 0.69000E+00 ppm1 10.833 ppm2 2.325 ASSI ( (( segid " " and resid 1626 and name HE1 )) )( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) ) 5.000 5.000 0.000 peak 2214 weight 0.10000E+01 volume 0.32900E+00 ppm1 10.830 ppm2 1.990 ASSI ( (( segid " " and resid 1627 and name HN )) )( (( segid " " and resid 1627 and name HG23)) OR (( segid " " and resid 1627 and name HG22)) OR (( segid " " and resid 1627 and name HG21)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) ) 5.000 5.000 0.000 peak 2188 weight 0.10000E+01 volume 0.64700E+00 ppm1 8.307 ppm2 0.526 ASSI ( (( segid " " and resid 1627 and name HN )) )( (( segid " " and resid 1539 and name HG12)) OR (( segid " " and resid 1530 and name HB2 )) OR (( segid " " and resid 1530 and name HB1 )) OR (( segid " " and resid 1518 and name HG2 )) ) 6.000 6.000 0.000 peak 2186 weight 0.10000E+01 volume 0.19800E+00 ppm1 8.314 ppm2 1.192 ASSI ( (( segid " " and resid 1627 and name HN )) )( (( segid " " and resid 1625 and name HG23)) OR (( segid " " and resid 1625 and name HG22)) OR (( segid " " and resid 1625 and name HG21)) OR (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) ) 6.000 6.000 0.000 peak 2187 weight 0.10000E+01 volume 0.20400E+00 ppm1 8.315 ppm2 1.326 ASSI ( (( segid " " and resid 1627 and name HN )) )( (( segid " " and resid 1627 and name HG11)) OR (( segid " " and resid 1627 and name HB )) OR (( segid " " and resid 1518 and name HG1 )) ) 3.300 3.300 0.000 peak 2185 weight 0.10000E+01 volume 0.18960E+01 ppm1 8.311 ppm2 1.503 ASSI ( (( segid " " and resid 1628 and name HN )) )( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) OR (( segid " " and resid 1601 and name HG12)) ) 5.000 5.000 0.000 peak 2172 weight 0.10000E+01 volume 0.37800E+00 ppm1 9.219 ppm2 1.015 ASSI ( (( segid " " and resid 1628 and name HN )) )( (( segid " " and resid 1628 and name HB2 )) ) 5.000 5.000 0.000 peak 2169 weight 0.10000E+01 volume 0.77900E+00 ppm1 9.220 ppm2 1.770 ASSI ( (( segid " " and resid 1628 and name HN )) )( (( segid " " and resid 1627 and name HD13)) OR (( segid " " and resid 1627 and name HD12)) OR (( segid " " and resid 1627 and name HD11)) OR (( segid " " and resid 1627 and name HG12)) OR (( segid " " and resid 1547 and name HD13)) OR (( segid " " and resid 1547 and name HD11)) OR (( segid " " and resid 1530 and name HG1 )) ) 5.000 5.000 0.000 peak 2173 weight 0.10000E+01 volume 0.34600E+00 ppm1 9.219 ppm2 0.616 ASSI ( (( segid " " and resid 1628 and name HN )) )( (( segid " " and resid 1601 and name HB )) OR (( segid " " and resid 1600 and name HG )) OR (( segid " " and resid 1597 and name HB2 )) ) 5.000 5.000 0.000 peak 2171 weight 0.10000E+01 volume 0.32300E+00 ppm1 9.212 ppm2 1.636 ASSI ( (( segid " " and resid 1628 and name HN )) )( (( segid " " and resid 1628 and name HG2 )) OR (( segid " " and resid 1600 and name HB1 )) ) 5.000 5.000 0.000 peak 2168 weight 0.10000E+01 volume 0.59600E+00 ppm1 9.220 ppm2 2.347 ASSI ( (( segid " " and resid 1628 and name HN )) )( (( segid " " and resid 1601 and name HA )) ) 5.000 5.000 0.000 peak 2165 weight 0.10000E+01 volume 0.30800E+00 ppm1 9.217 ppm2 5.764 ASSI ( (( segid " " and resid 1628 and name HN )) )( (( segid " " and resid 1626 and name HD1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) OR (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 2162 weight 0.10000E+01 volume 0.58600E+00 ppm1 9.218 ppm2 6.770 ASSI ( (( segid " " and resid 1628 and name HN )) )( (( segid " " and resid 1628 and name HG1 )) OR (( segid " " and resid 1628 and name HB1 )) ) 5.000 5.000 0.000 peak 2167 weight 0.10000E+01 volume 0.12280E+01 ppm1 9.216 ppm2 2.441 ASSI ( (( segid " " and resid 1629 and name HN )) )( (( segid " " and resid 1598 and name HB2 )) OR (( segid " " and resid 1597 and name HG2 )) OR (( segid " " and resid 1518 and name HB2 )) ) 6.000 6.000 0.000 peak 2159 weight 0.10000E+01 volume 0.20500E+00 ppm1 9.030 ppm2 1.726 ASSI ( (( segid " " and resid 1629 and name HN )) )( (( segid " " and resid 1628 and name HG1 )) OR (( segid " " and resid 1628 and name HB1 )) OR (( segid " " and resid 1520 and name HG1 )) ) 5.000 5.000 0.000 peak 2157 weight 0.10000E+01 volume 0.59200E+00 ppm1 9.025 ppm2 2.470 ASSI ( (( segid " " and resid 1630 and name HN )) )( (( segid " " and resid 1599 and name HB1 )) OR (( segid " " and resid 1597 and name HD1 )) OR (( segid " " and resid 1547 and name HB )) ) 6.000 6.000 0.000 peak 2296 weight 0.10000E+01 volume 0.23200E+00 ppm1 8.415 ppm2 2.887 ASSI ( (( segid " " and resid 1630 and name HN )) )( (( segid " " and resid 1598 and name HG1 )) OR (( segid " " and resid 1598 and name HB1 )) OR (( segid " " and resid 1597 and name HD2 )) ) 6.000 6.000 0.000 peak 2278 weight 0.10000E+01 volume 0.27500E+00 ppm1 8.415 ppm2 2.568 ASSI ( (( segid " " and resid 1630 and name HN )) )( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1632 and name HG1 )) OR (( segid " " and resid 1632 and name HB2 )) OR (( segid " " and resid 1631 and name HG2 )) OR (( segid " " and resid 1628 and name HB2 )) OR (( segid " " and resid 1598 and name HB2 )) OR (( segid " " and resid 1597 and name HG2 )) OR (( segid " " and resid 1594 and name HB )) ) 6.000 6.000 0.000 peak 2292 weight 0.10000E+01 volume 0.27000E+00 ppm1 8.411 ppm2 1.770 ASSI ( (( segid " " and resid 1630 and name HN )) )( (( segid " " and resid 1629 and name HE2 )) OR (( segid " " and resid 1629 and name HE1 )) OR (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) OR (( segid " " and resid 1599 and name HE2 )) OR (( segid " " and resid 1599 and name HE1 )) ) 3.300 3.300 0.000 peak 2147 weight 0.10000E+01 volume 0.19870E+01 ppm1 8.412 ppm2 6.831 ASSI ( (( segid " " and resid 1630 and name HE1 )) )( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1632 and name HG1 )) OR (( segid " " and resid 1632 and name HB2 )) OR (( segid " " and resid 1631 and name HG2 )) OR (( segid " " and resid 1598 and name HB2 )) ) 5.000 5.000 0.000 peak 2271 weight 0.10000E+01 volume 0.31400E+00 ppm1 10.020 ppm2 1.789 ASSI ( (( segid " " and resid 1630 and name HE1 )) )( (( segid " " and resid 1544 and name HE1 )) OR (( segid " " and resid 1544 and name HB2 )) ) 6.000 6.000 0.000 peak 2272 weight 0.10000E+01 volume 0.24400E+00 ppm1 10.025 ppm2 1.383 ASSI ( (( segid " " and resid 1630 and name HE1 )) )( (( segid " " and resid 1642 and name HB1 )) OR (( segid " " and resid 1631 and name HD2 )) OR (( segid " " and resid 1630 and name HB1 )) ) 6.000 6.000 0.000 peak 2270 weight 0.10000E+01 volume 0.14700E+00 ppm1 10.021 ppm2 3.058 ASSI ( (( segid " " and resid 1630 and name HE1 )) )( (( segid " " and resid 1646 and name HA )) OR (( segid " " and resid 1643 and name HA )) ) 6.000 6.000 0.000 peak 2250 weight 0.10000E+01 volume 0.17200E+00 ppm1 10.023 ppm2 3.482 ASSI ( (( segid " " and resid 1632 and name HN )) )( (( segid " " and resid 1632 and name HD2 )) OR (( segid " " and resid 1632 and name HD1 )) ) 6.000 6.000 0.000 peak 2137 weight 0.10000E+01 volume 0.25400E+00 ppm1 8.369 ppm2 3.191 ASSI ( (( segid " " and resid 1632 and name HN )) )( (( segid " " and resid 1632 and name HG1 )) OR (( segid " " and resid 1632 and name HB2 )) OR (( segid " " and resid 1631 and name HG2 )) ) 3.300 3.300 0.000 peak 2141 weight 0.10000E+01 volume 0.26200E+01 ppm1 8.370 ppm2 1.762 ASSI ( (( segid " " and resid 1633 and name HN )) )( (( segid " " and resid 1634 and name HG23)) OR (( segid " " and resid 1634 and name HG22)) OR (( segid " " and resid 1634 and name HG21)) ) 6.000 6.000 0.000 peak 2115 weight 0.10000E+01 volume 0.11900E+00 ppm1 7.604 ppm2 1.152 ASSI ( (( segid " " and resid 1633 and name HN )) )( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) ) 6.000 6.000 0.000 peak 2116 weight 0.10000E+01 volume 0.25500E+00 ppm1 7.606 ppm2 0.811 ASSI ( (( segid " " and resid 1633 and name HN )) )( (( segid " " and resid 1631 and name HG1 )) ) 6.000 6.000 0.000 peak 2111 weight 0.10000E+01 volume 0.18200E+00 ppm1 7.609 ppm2 2.036 ASSI ( (( segid " " and resid 1633 and name HN )) )( (( segid " " and resid 1632 and name HG1 )) OR (( segid " " and resid 1632 and name HB2 )) OR (( segid " " and resid 1631 and name HG2 )) ) 5.000 5.000 0.000 peak 2113 weight 0.10000E+01 volume 0.88800E+00 ppm1 7.604 ppm2 1.763 ASSI ( (( segid " " and resid 1634 and name HN )) )( (( segid " " and resid 1636 and name HN )) OR (( segid " " and resid 1633 and name HN )) ) 5.000 5.000 0.000 peak 2093 weight 0.10000E+01 volume 0.44800E+00 ppm1 7.986 ppm2 7.587 ASSI ( (( segid " " and resid 1635 and name HN )) )( (( segid " " and resid 1636 and name HB2 )) OR (( segid " " and resid 1636 and name HB1 )) ) 6.000 6.000 0.000 peak 2085 weight 0.10000E+01 volume 0.20000E+00 ppm1 8.485 ppm2 3.498 ASSI ( (( segid " " and resid 1635 and name HN )) )( (( segid " " and resid 1635 and name HB )) OR (( segid " " and resid 1635 and name HA )) ) 3.300 3.300 0.000 peak 2083 weight 0.10000E+01 volume 0.19430E+01 ppm1 8.485 ppm2 4.391 ASSI ( (( segid " " and resid 1635 and name HN )) )( (( segid " " and resid 1633 and name HB2 )) OR (( segid " " and resid 1633 and name HB1 )) ) 5.000 5.000 0.000 peak 2086 weight 0.10000E+01 volume 0.40800E+00 ppm1 8.482 ppm2 2.843 ASSI ( (( segid " " and resid 1636 and name HN )) )( (( segid " " and resid 1634 and name HN )) ) 6.000 6.000 0.000 peak 2079 weight 0.10000E+01 volume 0.12500E+00 ppm1 7.582 ppm2 8.032 ASSI ( (( segid " " and resid 1636 and name HN )) )( (( segid " " and resid 1634 and name HA )) ) 5.000 5.000 0.000 peak 2074 weight 0.10000E+01 volume 0.45800E+00 ppm1 7.581 ppm2 4.191 ASSI ( (( segid " " and resid 1636 and name HN )) )( (( segid " " and resid 1635 and name HG23)) OR (( segid " " and resid 1635 and name HG22)) OR (( segid " " and resid 1635 and name HG21)) ) 5.000 5.000 0.000 peak 2077 weight 0.10000E+01 volume 0.51000E+00 ppm1 7.581 ppm2 1.236 ASSI ( (( segid " " and resid 1636 and name HN )) )( (( segid " " and resid 1635 and name HB )) OR (( segid " " and resid 1635 and name HA )) ) 5.000 5.000 0.000 peak 2073 weight 0.10000E+01 volume 0.10610E+01 ppm1 7.582 ppm2 4.390 ASSI ( (( segid " " and resid 1640 and name HN )) )( (( segid " " and resid 1634 and name HB )) ) 6.000 6.000 0.000 peak 2056 weight 0.10000E+01 volume 0.19800E+00 ppm1 8.759 ppm2 4.468 ASSI ( (( segid " " and resid 1640 and name HN )) )( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) OR (( segid " " and resid 1643 and name HB2 )) OR (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) ) 5.000 5.000 0.000 peak 2050 weight 0.10000E+01 volume 0.30200E+00 ppm1 8.759 ppm2 1.458 ASSI ( (( segid " " and resid 1640 and name HN )) )( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1643 and name HB1 )) OR (( segid " " and resid 1631 and name HG2 )) ) 6.000 6.000 0.000 peak 2049 weight 0.10000E+01 volume 0.28100E+00 ppm1 8.756 ppm2 1.836 ASSI ( (( segid " " and resid 1640 and name HE21)) )( (( segid " " and resid 1634 and name HG23)) OR (( segid " " and resid 1634 and name HG22)) OR (( segid " " and resid 1634 and name HG21)) ) 6.000 6.000 0.000 peak 2062 weight 0.10000E+01 volume 0.16900E+00 ppm1 7.521 ppm2 1.193 ASSI ( (( segid " " and resid 1640 and name HE21)) )( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) OR (( segid " " and resid 1643 and name HB2 )) OR (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) ) 6.000 6.000 0.000 peak 2038 weight 0.10000E+01 volume 0.53000E-01 ppm1 7.517 ppm2 1.459 ASSI ( (( segid " " and resid 1640 and name HE21)) )( (( segid " " and resid 1634 and name HA )) ) 6.000 6.000 0.000 peak 2030 weight 0.10000E+01 volume 0.62000E-01 ppm1 7.525 ppm2 4.213 ASSI ( (( segid " " and resid 1640 and name HE22)) )( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) OR (( segid " " and resid 1643 and name HB2 )) OR (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) ) 6.000 6.000 0.000 peak 2037 weight 0.10000E+01 volume 0.12900E+00 ppm1 6.854 ppm2 1.459 ASSI ( (( segid " " and resid 1640 and name HE22)) )( (( segid " " and resid 1634 and name HA )) ) 6.000 6.000 0.000 peak 2015 weight 0.10000E+01 volume 0.38000E-01 ppm1 6.854 ppm2 4.212 ASSI ( (( segid " " and resid 1640 and name HE22)) )( (( segid " " and resid 1635 and name HA )) ) 6.000 6.000 0.000 peak 2002 weight 0.10000E+01 volume 0.15700E+00 ppm1 6.852 ppm2 4.437 ASSI ( (( segid " " and resid 1641 and name HN )) )( (( segid " " and resid 1640 and name HN )) ) 3.300 3.300 0.000 peak 2041 weight 0.10000E+01 volume 0.15070E+01 ppm1 8.459 ppm2 8.756 ASSI ( (( segid " " and resid 1641 and name HN )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) OR (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) OR (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) ) 5.000 5.000 0.000 peak 2045 weight 0.10000E+01 volume 0.55900E+00 ppm1 8.463 ppm2 0.992 ASSI ( (( segid " " and resid 1641 and name HN )) )( (( segid " " and resid 1643 and name HB2 )) OR (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) ) 2.700 2.700 0.000 peak 2044 weight 0.10000E+01 volume 0.50050E+01 ppm1 8.461 ppm2 1.442 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1521 and name HA )) ) 6.000 6.000 0.000 peak 2019 weight 0.10000E+01 volume 0.22700E+00 ppm1 8.085 ppm2 1.580 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) ) 6.000 6.000 0.000 peak 2022 weight 0.10000E+01 volume 0.19900E+00 ppm1 8.083 ppm2 0.571 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) OR (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) OR (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) ) 5.000 5.000 0.000 peak 2021 weight 0.10000E+01 volume 0.14160E+01 ppm1 8.086 ppm2 0.997 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1640 and name HB2 )) OR (( segid " " and resid 1640 and name HB1 )) ) 6.000 6.000 0.000 peak 2028 weight 0.10000E+01 volume 0.28600E+00 ppm1 8.077 ppm2 2.164 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1641 and name HA )) OR (( segid " " and resid 1639 and name HA )) ) 5.000 5.000 0.000 peak 2024 weight 0.10000E+01 volume 0.91600E+00 ppm1 8.087 ppm2 4.080 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1645 and name HD21)) OR (( segid " " and resid 1644 and name HN )) ) 6.000 6.000 0.000 peak 2026 weight 0.10000E+01 volume 0.19800E+00 ppm1 8.085 ppm2 7.614 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1641 and name HN )) ) 3.300 3.300 0.000 peak 2027 weight 0.10000E+01 volume 0.22160E+01 ppm1 8.087 ppm2 8.482 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1646 and name HA )) OR (( segid " " and resid 1643 and name HA )) ) 6.000 6.000 0.000 peak 2029 weight 0.10000E+01 volume 0.23700E+00 ppm1 8.078 ppm2 3.502 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1631 and name HG2 )) ) 5.000 5.000 0.000 peak 2018 weight 0.10000E+01 volume 0.32600E+00 ppm1 8.086 ppm2 1.815 ASSI ( (( segid " " and resid 1643 and name HN )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) OR (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) ) 5.000 5.000 0.000 peak 2007 weight 0.10000E+01 volume 0.73300E+00 ppm1 8.526 ppm2 0.989 ASSI ( (( segid " " and resid 1643 and name HN )) )( (( segid " " and resid 1642 and name HN )) ) 5.000 5.000 0.000 peak 2013 weight 0.10000E+01 volume 0.10210E+01 ppm1 8.526 ppm2 8.077 ASSI ( (( segid " " and resid 1644 and name HN )) )( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) OR (( segid " " and resid 1643 and name HB2 )) ) 2.700 2.700 0.000 peak 1985 weight 0.10000E+01 volume 0.53480E+01 ppm1 7.629 ppm2 1.453 ASSI ( (( segid " " and resid 1644 and name HN )) )( (( segid " " and resid 1643 and name HG )) OR (( segid " " and resid 1643 and name HB1 )) OR (( segid " " and resid 1631 and name HG2 )) ) 5.000 5.000 0.000 peak 1984 weight 0.10000E+01 volume 0.10380E+01 ppm1 7.628 ppm2 1.838 ASSI ( (( segid " " and resid 1644 and name HN )) )( (( segid " " and resid 1648 and name HB1 )) OR (( segid " " and resid 1640 and name HB2 )) OR (( segid " " and resid 1640 and name HB1 )) OR (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) ) 6.000 6.000 0.000 peak 1988 weight 0.10000E+01 volume 0.10100E+00 ppm1 7.628 ppm2 2.169 ASSI ( (( segid " " and resid 1645 and name HN )) )( (( segid " " and resid 1646 and name HA )) OR (( segid " " and resid 1643 and name HA )) ) 6.000 6.000 0.000 peak 1973 weight 0.10000E+01 volume 0.26800E+00 ppm1 7.191 ppm2 3.502 ASSI ( (( segid " " and resid 1645 and name HD21)) )( (( segid " " and resid 1525 and name HA )) OR (( segid " " and resid 1524 and name HA )) OR (( segid " " and resid 1523 and name HA )) ) 6.000 6.000 0.000 peak 1813 weight 0.10000E+01 volume 0.26400E+00 ppm1 7.616 ppm2 4.226 ASSI ( (( segid " " and resid 1645 and name HD21)) )( (( segid " " and resid 1642 and name HA )) ) 5.000 5.000 0.000 peak 1814 weight 0.10000E+01 volume 0.33400E+00 ppm1 7.618 ppm2 3.948 ASSI ( (( segid " " and resid 1645 and name HD22)) )( (( segid " " and resid 1525 and name HA )) OR (( segid " " and resid 1524 and name HA )) OR (( segid " " and resid 1523 and name HA )) ) 5.000 5.000 0.000 peak 1812 weight 0.10000E+01 volume 0.39100E+00 ppm1 7.143 ppm2 4.237 ASSI ( (( segid " " and resid 1646 and name HN )) )( (( segid " " and resid 1645 and name HA )) ) 5.000 5.000 0.000 peak 1966 weight 0.10000E+01 volume 0.34800E+00 ppm1 7.045 ppm2 4.413 ASSI ( (( segid " " and resid 1646 and name HN )) )( (( segid " " and resid 1649 and name HN )) OR (( segid " " and resid 1630 and name HZ2 )) ) 6.000 6.000 0.000 peak 1968 weight 0.10000E+01 volume 0.15500E+00 ppm1 7.043 ppm2 7.453 ASSI ( (( segid " " and resid 1646 and name HN )) )( (( segid " " and resid 1645 and name HD21)) OR (( segid " " and resid 1644 and name HN )) ) 6.000 6.000 0.000 peak 1969 weight 0.10000E+01 volume 0.20400E+00 ppm1 7.042 ppm2 7.630 ASSI ( (( segid " " and resid 1647 and name HN )) )( (( segid " " and resid 1646 and name HA )) OR (( segid " " and resid 1643 and name HA )) ) 5.000 5.000 0.000 peak 1945 weight 0.10000E+01 volume 0.57400E+00 ppm1 8.560 ppm2 3.502 ASSI ( (( segid " " and resid 1647 and name HN )) )( (( segid " " and resid 1648 and name HA )) OR (( segid " " and resid 1642 and name HA )) OR (( segid " " and resid 1640 and name HA )) ) 6.000 6.000 0.000 peak 1953 weight 0.10000E+01 volume 0.21600E+00 ppm1 8.567 ppm2 3.990 ASSI ( (( segid " " and resid 1647 and name HN )) )( (( segid " " and resid 1651 and name HB2 )) OR (( segid " " and resid 1651 and name HB1 )) OR (( segid " " and resid 1648 and name HG2 )) OR (( segid " " and resid 1648 and name HB2 )) ) 6.000 6.000 0.000 peak 1947 weight 0.10000E+01 volume 0.25800E+00 ppm1 8.565 ppm2 2.083 ASSI ( (( segid " " and resid 1647 and name HN )) )( (( segid " " and resid 1648 and name HB1 )) OR (( segid " " and resid 1640 and name HB2 )) OR (( segid " " and resid 1640 and name HB1 )) ) 5.000 5.000 0.000 peak 1948 weight 0.10000E+01 volume 0.35300E+00 ppm1 8.565 ppm2 2.167 ASSI ( (( segid " " and resid 1649 and name HN )) )( (( segid " " and resid 1645 and name HA )) ) 6.000 6.000 0.000 peak 1928 weight 0.10000E+01 volume 0.23100E+00 ppm1 7.450 ppm2 4.394 ASSI ( (( segid " " and resid 1649 and name HN )) )( (( segid " " and resid 1653 and name HA )) OR (( segid " " and resid 1531 and name HA )) OR (( segid " " and resid 1527 and name HA )) ) 6.000 6.000 0.000 peak 1925 weight 0.10000E+01 volume 0.28300E+00 ppm1 7.448 ppm2 3.813 ASSI ( (( segid " " and resid 1650 and name HN )) )( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) ) 2.700 2.700 0.000 peak 1910 weight 0.10000E+01 volume 0.33740E+01 ppm1 8.192 ppm2 1.193 ASSI ( (( segid " " and resid 1651 and name HN )) )( (( segid " " and resid 1652 and name HB1 )) OR (( segid " " and resid 1650 and name HA )) ) 5.000 5.000 0.000 peak 1898 weight 0.10000E+01 volume 0.82300E+00 ppm1 8.078 ppm2 2.791 ASSI ( (( segid " " and resid 1651 and name HN )) )( (( segid " " and resid 1654 and name HE2 )) OR (( segid " " and resid 1649 and name HN )) OR (( segid " " and resid 1630 and name HZ2 )) ) 5.000 5.000 0.000 peak 1904 weight 0.10000E+01 volume 0.31000E+00 ppm1 8.080 ppm2 7.453 ASSI ( (( segid " " and resid 1652 and name HN )) )( (( segid " " and resid 1653 and name HA )) OR (( segid " " and resid 1531 and name HA )) OR (( segid " " and resid 1527 and name HA )) ) 6.000 6.000 0.000 peak 1886 weight 0.10000E+01 volume 0.18900E+00 ppm1 7.658 ppm2 3.813 ASSI ( (( segid " " and resid 1652 and name HN )) )( (( segid " " and resid 1653 and name HN )) OR (( segid " " and resid 1651 and name HN )) ) 2.700 2.700 0.000 peak 1894 weight 0.10000E+01 volume 0.31760E+01 ppm1 7.659 ppm2 8.075 ASSI ( (( segid " " and resid 1652 and name HN )) )( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 6.000 6.000 0.000 peak 1893 weight 0.10000E+01 volume 0.26300E+00 ppm1 7.654 ppm2 0.570 ASSI ( (( segid " " and resid 1652 and name HN )) )( (( segid " " and resid 1651 and name HG2 )) ) 6.000 6.000 0.000 peak 1890 weight 0.10000E+01 volume 0.21100E+00 ppm1 7.658 ppm2 2.303 ASSI ( (( segid " " and resid 1653 and name HN )) )( (( segid " " and resid 1651 and name HB2 )) OR (( segid " " and resid 1651 and name HB1 )) OR (( segid " " and resid 1531 and name HB1 )) OR (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) ) 6.000 6.000 0.000 peak 5208 weight 0.10000E+01 volume 0.27700E+00 ppm1 8.066 ppm2 2.002 ASSI ( (( segid " " and resid 1653 and name HN )) )( (( segid " " and resid 1656 and name HB2 )) OR (( segid " " and resid 1652 and name HB2 )) OR (( segid " " and resid 1531 and name HE2 )) ) 5.000 5.000 0.000 peak 1878 weight 0.10000E+01 volume 0.14730E+01 ppm1 8.068 ppm2 2.702 ASSI ( (( segid " " and resid 1653 and name HN )) )( (( segid " " and resid 1652 and name HB1 )) OR (( segid " " and resid 1650 and name HA )) ) 3.300 3.300 0.000 peak 1877 weight 0.10000E+01 volume 0.16000E+01 ppm1 8.068 ppm2 2.807 ASSI ( (( segid " " and resid 1653 and name HN )) )( (( segid " " and resid 1658 and name HB1 )) OR (( segid " " and resid 1654 and name HB2 )) OR (( segid " " and resid 1649 and name HB1 )) OR (( segid " " and resid 1567 and name HB1 )) ) 6.000 6.000 0.000 peak 1876 weight 0.10000E+01 volume 0.18700E+00 ppm1 8.068 ppm2 3.191 ASSI ( (( segid " " and resid 1653 and name HN )) )( (( segid " " and resid 1652 and name HA )) ) 5.000 5.000 0.000 peak 1881 weight 0.10000E+01 volume 0.35700E+00 ppm1 8.068 ppm2 4.320 ASSI ( (( segid " " and resid 1653 and name HN )) )( (( segid " " and resid 1656 and name HD22)) OR (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 6.000 6.000 0.000 peak 5206 weight 0.10000E+01 volume 0.16500E+00 ppm1 8.062 ppm2 6.921 ASSI ( (( segid " " and resid 1653 and name HN )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 3.300 3.300 0.000 peak 1880 weight 0.10000E+01 volume 0.24260E+01 ppm1 8.068 ppm2 0.571 ASSI ( (( segid " " and resid 1654 and name HN )) )( (( segid " " and resid 1657 and name HA1 )) OR (( segid " " and resid 1655 and name HA )) OR (( segid " " and resid 1651 and name HA )) ) 5.000 5.000 0.000 peak 1863 weight 0.10000E+01 volume 0.73000E+00 ppm1 7.960 ppm2 4.035 ASSI ( (( segid " " and resid 1654 and name HN )) )( (( segid " " and resid 1653 and name HB )) OR (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) ) 5.000 5.000 0.000 peak 1874 weight 0.10000E+01 volume 0.59100E+00 ppm1 7.957 ppm2 1.196 ASSI ( (( segid " " and resid 1654 and name HN )) )( (( segid " " and resid 1656 and name HB1 )) OR (( segid " " and resid 1650 and name HA )) OR (( segid " " and resid 1531 and name HE2 )) ) 5.000 5.000 0.000 peak 1867 weight 0.10000E+01 volume 0.47000E+00 ppm1 7.958 ppm2 2.770 ASSI ( (( segid " " and resid 1654 and name HN )) )( (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 3.300 3.300 0.000 peak 1868 weight 0.10000E+01 volume 0.25010E+01 ppm1 7.962 ppm2 0.560 ASSI ( (( segid " " and resid 1655 and name HN )) )( (( segid " " and resid 1655 and name HG )) OR (( segid " " and resid 1655 and name HB1 )) ) 2.700 2.700 0.000 peak 1856 weight 0.10000E+01 volume 0.38150E+01 ppm1 8.232 ppm2 1.816 ASSI ( (( segid " " and resid 1656 and name HN )) )( (( segid " " and resid 1656 and name HD21)) ) 5.000 5.000 0.000 peak 1850 weight 0.10000E+01 volume 0.80200E+00 ppm1 8.517 ppm2 8.075 ASSI ( (( segid " " and resid 1656 and name HN )) )( (( segid " " and resid 1655 and name HG )) OR (( segid " " and resid 1655 and name HB1 )) ) 3.300 3.300 0.000 peak 1844 weight 0.10000E+01 volume 0.16110E+01 ppm1 8.519 ppm2 1.821 ASSI ( (( segid " " and resid 1656 and name HN )) )( (( segid " " and resid 1653 and name HA )) ) 5.000 5.000 0.000 peak 1841 weight 0.10000E+01 volume 0.49700E+00 ppm1 8.518 ppm2 3.812 ASSI ( (( segid " " and resid 1656 and name HN )) )( (( segid " " and resid 1657 and name HA1 )) OR (( segid " " and resid 1655 and name HA )) OR (( segid " " and resid 1651 and name HA )) ) 5.000 5.000 0.000 peak 1839 weight 0.10000E+01 volume 0.11130E+01 ppm1 8.518 ppm2 4.035 ASSI ( (( segid " " and resid 1656 and name HD21)) )( (( segid " " and resid 1652 and name HA )) ) 5.000 5.000 0.000 peak 2338 weight 0.10000E+01 volume 0.78100E+00 ppm1 8.062 ppm2 4.344 ASSI ( (( segid " " and resid 1656 and name HD22)) )( (( segid " " and resid 1652 and name HA )) ) 5.000 5.000 0.000 peak 2337 weight 0.10000E+01 volume 0.76600E+00 ppm1 6.951 ppm2 4.342 ASSI ( (( segid " " and resid 1656 and name HD22)) )( (( segid " " and resid 1655 and name HG )) OR (( segid " " and resid 1655 and name HB1 )) ) 6.000 6.000 0.000 peak 2350 weight 0.10000E+01 volume 0.18600E+00 ppm1 6.952 ppm2 1.815 ASSI ( (( segid " " and resid 1657 and name HN )) )( (( segid " " and resid 1653 and name HD13)) OR (( segid " " and resid 1653 and name HD12)) OR (( segid " " and resid 1653 and name HD11)) OR (( segid " " and resid 1653 and name HG23)) OR (( segid " " and resid 1653 and name HG22)) OR (( segid " " and resid 1653 and name HG21)) ) 5.000 5.000 0.000 peak 1832 weight 0.10000E+01 volume 0.39000E+00 ppm1 7.887 ppm2 0.575 ASSI ( (( segid " " and resid 1512 and name HN )) )( (( segid " " and resid 1512 and name HA )) ) 5.000 5.000 0.000 peak 2360 weight 0.10000E+01 volume 0.49400E+00 ppm1 8.374 ppm2 4.290 ASSI ( (( segid " " and resid 1512 and name HN )) )( (( segid " " and resid 1512 and name HB3 )) OR (( segid " " and resid 1512 and name HB2 )) OR (( segid " " and resid 1512 and name HB1 )) ) 5.000 5.000 0.000 peak 6113 weight 0.10000E+01 volume 0.11150E+01 ppm1 8.374 ppm2 1.415 ASSI ( (( segid " " and resid 1512 and name HN )) )( (( segid " " and resid 1513 and name HA )) ) 5.000 5.000 0.000 peak 6657 weight 0.10000E+01 volume 0.12690E+01 ppm1 8.374 ppm2 4.701 ASSI ( (( segid " " and resid 1513 and name HN )) )( (( segid " " and resid 1512 and name HA )) ) 5.000 5.000 0.000 peak 2373 weight 0.10000E+01 volume 0.96900E+00 ppm1 8.354 ppm2 4.299 ASSI ( (( segid " " and resid 1513 and name HN )) )( (( segid " " and resid 1512 and name HB3 )) OR (( segid " " and resid 1512 and name HB2 )) OR (( segid " " and resid 1512 and name HB1 )) ) 5.000 5.000 0.000 peak 6112 weight 0.10000E+01 volume 0.41600E+00 ppm1 8.355 ppm2 1.415 ASSI ( (( segid " " and resid 1513 and name HN )) )( (( segid " " and resid 1513 and name HA )) ) 5.000 5.000 0.000 peak 7169 weight 0.10000E+01 volume 0.11170E+01 ppm1 8.353 ppm2 4.701 ASSI ( (( segid " " and resid 1513 and name HN )) )( (( segid " " and resid 1513 and name HB1 )) ) 5.000 5.000 0.000 peak 6110 weight 0.10000E+01 volume 0.34200E+00 ppm1 8.358 ppm2 2.867 ASSI ( (( segid " " and resid 1513 and name HN )) )( (( segid " " and resid 1513 and name HB2 )) ) 5.000 5.000 0.000 peak 6111 weight 0.10000E+01 volume 0.47500E+00 ppm1 8.355 ppm2 2.707 ASSI ( (( segid " " and resid 1513 and name HN )) )( (( segid " " and resid 1514 and name HN )) ) 6.000 6.000 0.000 peak 4966 weight 0.10000E+01 volume 0.28500E+00 ppm1 8.355 ppm2 7.941 ASSI ( (( segid " " and resid 1514 and name HN )) )( (( segid " " and resid 1512 and name HA )) ) 6.000 6.000 0.000 peak 6105 weight 0.10000E+01 volume 0.25800E+00 ppm1 7.939 ppm2 4.300 ASSI ( (( segid " " and resid 1514 and name HN )) )( (( segid " " and resid 1513 and name HA )) ) 5.000 5.000 0.000 peak 6308 weight 0.10000E+01 volume 0.12190E+01 ppm1 7.941 ppm2 4.701 ASSI ( (( segid " " and resid 1514 and name HN )) )( (( segid " " and resid 1514 and name HA )) ) 5.000 5.000 0.000 peak 6104 weight 0.10000E+01 volume 0.11630E+01 ppm1 7.944 ppm2 5.030 ASSI ( (( segid " " and resid 1514 and name HN )) )( (( segid " " and resid 1514 and name HB1 )) ) 5.000 5.000 0.000 peak 6108 weight 0.10000E+01 volume 0.12300E+01 ppm1 7.939 ppm2 3.341 ASSI ( (( segid " " and resid 1515 and name HN )) )( (( segid " " and resid 1514 and name HA )) ) 2.700 2.700 0.000 peak 6034 weight 0.10000E+01 volume 0.40310E+01 ppm1 8.334 ppm2 5.035 ASSI ( (( segid " " and resid 1515 and name HN )) )( (( segid " " and resid 1514 and name HB2 )) ) 5.000 5.000 0.000 peak 6103 weight 0.10000E+01 volume 0.62500E+00 ppm1 8.333 ppm2 2.747 ASSI ( (( segid " " and resid 1515 and name HN )) )( (( segid " " and resid 1514 and name HN )) ) 6.000 6.000 0.000 peak 4964 weight 0.10000E+01 volume 0.27300E+00 ppm1 8.336 ppm2 7.942 ASSI ( (( segid " " and resid 1515 and name HN )) )( (( segid " " and resid 1515 and name HA1 )) ) 5.000 5.000 0.000 peak 6100 weight 0.10000E+01 volume 0.13910E+01 ppm1 8.334 ppm2 4.269 ASSI ( (( segid " " and resid 1516 and name HN )) )( (( segid " " and resid 1515 and name HA1 )) ) 2.700 2.700 0.000 peak 8318 weight 0.10000E+01 volume 0.34500E+01 ppm1 8.469 ppm2 4.273 ASSI ( (( segid " " and resid 1516 and name HN )) )( (( segid " " and resid 1515 and name HA2 )) ) 3.300 3.300 0.000 peak 6033 weight 0.10000E+01 volume 0.25830E+01 ppm1 8.468 ppm2 3.439 ASSI ( (( segid " " and resid 1516 and name HE21)) )( (( segid " " and resid 1516 and name HG2 )) OR (( segid " " and resid 1516 and name HG1 )) ) 5.000 5.000 0.000 peak 4789 weight 0.10000E+01 volume 0.67700E+00 ppm1 7.408 ppm2 2.170 ASSI ( (( segid " " and resid 1516 and name HE22)) )( (( segid " " and resid 1516 and name HG2 )) OR (( segid " " and resid 1516 and name HG1 )) ) 5.000 5.000 0.000 peak 4785 weight 0.10000E+01 volume 0.30500E+00 ppm1 6.714 ppm2 2.169 ASSI ( (( segid " " and resid 1517 and name HN )) )( (( segid " " and resid 1516 and name HG2 )) OR (( segid " " and resid 1516 and name HG1 )) ) 5.000 5.000 0.000 peak 6096 weight 0.10000E+01 volume 0.45200E+00 ppm1 8.387 ppm2 2.170 ASSI ( (( segid " " and resid 1517 and name HN )) )( (( segid " " and resid 1517 and name HB2 )) ) 3.300 3.300 0.000 peak 9647 weight 0.10000E+01 volume 0.22220E+01 ppm1 8.388 ppm2 1.800 ASSI ( (( segid " " and resid 1518 and name HN )) )( (( segid " " and resid 1517 and name HG2 )) OR (( segid " " and resid 1517 and name HG1 )) ) 5.000 5.000 0.000 peak 6090 weight 0.10000E+01 volume 0.73700E+00 ppm1 8.212 ppm2 2.523 ASSI ( (( segid " " and resid 1518 and name HN )) )( (( segid " " and resid 1518 and name HE22)) ) 6.000 6.000 0.000 peak 4963 weight 0.10000E+01 volume 0.21100E+00 ppm1 8.213 ppm2 5.900 ASSI ( (( segid " " and resid 1518 and name HN )) )( (( segid " " and resid 1518 and name HG1 )) ) 3.300 3.300 0.000 peak 9624 weight 0.10000E+01 volume 0.22190E+01 ppm1 8.209 ppm2 1.502 ASSI ( (( segid " " and resid 1518 and name HE21)) )( (( segid " " and resid 1518 and name HG1 )) ) 5.000 5.000 0.000 peak 1799 weight 0.10000E+01 volume 0.72600E+00 ppm1 6.065 ppm2 1.503 ASSI ( (( segid " " and resid 1518 and name HE22)) )( (( segid " " and resid 1518 and name HG1 )) ) 5.000 5.000 0.000 peak 1801 weight 0.10000E+01 volume 0.57000E+00 ppm1 5.898 ppm2 1.500 ASSI ( (( segid " " and resid 1518 and name HE21)) )( (( segid " " and resid 1518 and name HG2 )) ) 5.000 5.000 0.000 peak 1800 weight 0.10000E+01 volume 0.37500E+00 ppm1 6.065 ppm2 1.195 ASSI ( (( segid " " and resid 1518 and name HE22)) )( (( segid " " and resid 1518 and name HG2 )) ) 5.000 5.000 0.000 peak 1802 weight 0.10000E+01 volume 0.33400E+00 ppm1 5.898 ppm2 1.217 ASSI ( (( segid " " and resid 1519 and name HN )) )( (( segid " " and resid 1518 and name HB2 )) ) 5.000 5.000 0.000 peak 6084 weight 0.10000E+01 volume 0.64600E+00 ppm1 9.175 ppm2 1.695 ASSI ( (( segid " " and resid 1519 and name HN )) )( (( segid " " and resid 1518 and name HN )) ) 5.000 5.000 0.000 peak 413 weight 0.10000E+01 volume 0.32000E+00 ppm1 9.177 ppm2 8.208 ASSI ( (( segid " " and resid 1519 and name HN )) )( (( segid " " and resid 1519 and name HB2 )) ) 3.300 3.300 0.000 peak 9612 weight 0.10000E+01 volume 0.23620E+01 ppm1 9.175 ppm2 1.860 ASSI ( (( segid " " and resid 1519 and name HN )) )( (( segid " " and resid 1519 and name HG2 )) ) 3.300 3.300 0.000 peak 9609 weight 0.10000E+01 volume 0.18430E+01 ppm1 9.175 ppm2 2.252 ASSI ( (( segid " " and resid 1520 and name HN )) )( (( segid " " and resid 1519 and name HN )) ) 5.000 5.000 0.000 peak 4962 weight 0.10000E+01 volume 0.34200E+00 ppm1 8.476 ppm2 9.165 ASSI ( (( segid " " and resid 1521 and name HN )) )( (( segid " " and resid 1520 and name HA )) ) 3.300 3.300 0.000 peak 6078 weight 0.10000E+01 volume 0.21410E+01 ppm1 8.892 ppm2 4.156 ASSI ( (( segid " " and resid 1521 and name HN )) )( (( segid " " and resid 1521 and name HB2 )) ) 6.000 6.000 0.000 peak 6082 weight 0.10000E+01 volume 0.20200E+00 ppm1 8.894 ppm2 1.059 ASSI ( (( segid " " and resid 1521 and name HN )) )( (( segid " " and resid 1521 and name HD23)) OR (( segid " " and resid 1521 and name HD22)) OR (( segid " " and resid 1521 and name HD21)) ) 5.000 5.000 0.000 peak 6083 weight 0.10000E+01 volume 0.32400E+00 ppm1 8.889 ppm2 0.571 ASSI ( (( segid " " and resid 1522 and name HN )) )( (( segid " " and resid 1521 and name HN )) ) 5.000 5.000 0.000 peak 4955 weight 0.10000E+01 volume 0.78200E+00 ppm1 7.830 ppm2 8.895 ASSI ( (( segid " " and resid 1522 and name HN )) )( (( segid " " and resid 1522 and name HB1 )) ) 5.000 5.000 0.000 peak 6070 weight 0.10000E+01 volume 0.14180E+01 ppm1 7.830 ppm2 3.200 ASSI ( (( segid " " and resid 1522 and name HN )) )( (( segid " " and resid 1522 and name HB2 )) ) 3.300 3.300 0.000 peak 6071 weight 0.10000E+01 volume 0.15890E+01 ppm1 7.830 ppm2 2.224 ASSI ( (( segid " " and resid 1522 and name HN )) )( (( segid " " and resid 1523 and name HN )) ) 6.000 6.000 0.000 peak 4956 weight 0.10000E+01 volume 0.21900E+00 ppm1 7.830 ppm2 8.643 ASSI ( (( segid " " and resid 1522 and name HN )) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 5.000 5.000 0.000 peak 4958 weight 0.10000E+01 volume 0.33600E+00 ppm1 7.830 ppm2 6.610 ASSI ( (( segid " " and resid 1522 and name HN )) )( (( segid " " and resid 1642 and name HE2 )) OR (( segid " " and resid 1642 and name HE1 )) ) 5.000 5.000 0.000 peak 4957 weight 0.10000E+01 volume 0.71900E+00 ppm1 7.830 ppm2 7.304 ASSI ( (( segid " " and resid 1523 and name HN )) )( (( segid " " and resid 1522 and name HB1 )) ) 5.000 5.000 0.000 peak 6061 weight 0.10000E+01 volume 0.33300E+00 ppm1 8.640 ppm2 3.191 ASSI ( (( segid " " and resid 1523 and name HN )) )( (( segid " " and resid 1522 and name HB2 )) ) 5.000 5.000 0.000 peak 6062 weight 0.10000E+01 volume 0.62000E+00 ppm1 8.632 ppm2 2.224 ASSI ( (( segid " " and resid 1523 and name HN )) )( (( segid " " and resid 1523 and name HA )) ) 5.000 5.000 0.000 peak 6060 weight 0.10000E+01 volume 0.13230E+01 ppm1 8.635 ppm2 4.234 ASSI ( (( segid " " and resid 1523 and name HN )) )( (( segid " " and resid 1523 and name HB1 )) ) 3.300 3.300 0.000 peak 5523 weight 0.10000E+01 volume 0.22820E+01 ppm1 8.633 ppm2 1.859 ASSI ( (( segid " " and resid 1523 and name HN )) )( (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) OR (( segid " " and resid 1523 and name HD13)) OR (( segid " " and resid 1523 and name HD12)) OR (( segid " " and resid 1523 and name HD11)) ) 5.000 5.000 0.000 peak 6065 weight 0.10000E+01 volume 0.14960E+01 ppm1 8.634 ppm2 1.017 ASSI ( (( segid " " and resid 1523 and name HN )) )( (( segid " " and resid 1523 and name HG )) ) 3.300 3.300 0.000 peak 7350 weight 0.10000E+01 volume 0.26040E+01 ppm1 8.632 ppm2 1.948 ASSI ( (( segid " " and resid 1523 and name HN )) )( (( segid " " and resid 1524 and name HN )) ) 5.000 5.000 0.000 peak 4954 weight 0.10000E+01 volume 0.11100E+01 ppm1 8.634 ppm2 8.875 ASSI ( (( segid " " and resid 1524 and name HN )) )( (( segid " " and resid 1523 and name HB2 )) ) 5.000 5.000 0.000 peak 6054 weight 0.10000E+01 volume 0.32000E+00 ppm1 8.885 ppm2 1.713 ASSI ( (( segid " " and resid 1524 and name HN )) )( (( segid " " and resid 1524 and name HA )) ) 3.300 3.300 0.000 peak 6052 weight 0.10000E+01 volume 0.24960E+01 ppm1 8.889 ppm2 4.257 ASSI ( (( segid " " and resid 1524 and name HN )) )( (( segid " " and resid 1524 and name HG23)) OR (( segid " " and resid 1524 and name HG22)) OR (( segid " " and resid 1524 and name HG21)) ) 2.700 2.700 0.000 peak 6056 weight 0.10000E+01 volume 0.33630E+01 ppm1 8.889 ppm2 1.249 ASSI ( (( segid " " and resid 1524 and name HN )) )( (( segid " " and resid 1525 and name HN )) ) 3.300 3.300 0.000 peak 4952 weight 0.10000E+01 volume 0.23850E+01 ppm1 8.888 ppm2 6.654 ASSI ( (( segid " " and resid 1525 and name HN )) )( (( segid " " and resid 1525 and name HA )) ) 3.300 3.300 0.000 peak 6045 weight 0.10000E+01 volume 0.15170E+01 ppm1 6.655 ppm2 4.213 ASSI ( (( segid " " and resid 1525 and name HN )) )( (( segid " " and resid 1525 and name HB )) ) 3.300 3.300 0.000 peak 6046 weight 0.10000E+01 volume 0.19610E+01 ppm1 6.656 ppm2 1.940 ASSI ( (( segid " " and resid 1525 and name HN )) )( (( segid " " and resid 1525 and name HG11)) ) 3.300 3.300 0.000 peak 6047 weight 0.10000E+01 volume 0.20070E+01 ppm1 6.656 ppm2 1.531 ASSI ( (( segid " " and resid 1526 and name HN )) )( (( segid " " and resid 1525 and name HA )) ) 2.700 2.700 0.000 peak 6037 weight 0.10000E+01 volume 0.52670E+01 ppm1 9.138 ppm2 4.186 ASSI ( (( segid " " and resid 1526 and name HN )) )( (( segid " " and resid 1525 and name HB )) ) 6.000 6.000 0.000 peak 6039 weight 0.10000E+01 volume 0.24700E+00 ppm1 9.139 ppm2 1.947 ASSI ( (( segid " " and resid 1526 and name HN )) )( (( segid " " and resid 1525 and name HN )) ) 6.000 6.000 0.000 peak 4950 weight 0.10000E+01 volume 0.25000E+00 ppm1 9.137 ppm2 6.652 ASSI ( (( segid " " and resid 1526 and name HN )) )( (( segid " " and resid 1526 and name HB2 )) ) 3.300 3.300 0.000 peak 6038 weight 0.10000E+01 volume 0.20950E+01 ppm1 9.139 ppm2 4.062 ASSI ( (( segid " " and resid 1527 and name HN )) )( (( segid " " and resid 1526 and name HA )) ) 2.700 2.700 0.000 peak 9607 weight 0.10000E+01 volume 0.45870E+01 ppm1 9.196 ppm2 4.449 ASSI ( (( segid " " and resid 1527 and name HN )) )( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) ) 2.700 2.700 0.000 peak 5116 weight 0.10000E+01 volume 0.31380E+01 ppm1 9.194 ppm2 1.503 ASSI ( (( segid " " and resid 1527 and name HN )) )( (( segid " " and resid 1528 and name HN )) ) 5.000 5.000 0.000 peak 415 weight 0.10000E+01 volume 0.10740E+01 ppm1 9.194 ppm2 8.475 ASSI ( (( segid " " and resid 1528 and name HN )) )( (( segid " " and resid 1527 and name HA )) ) 5.000 5.000 0.000 peak 5115 weight 0.10000E+01 volume 0.56200E+00 ppm1 8.483 ppm2 3.813 ASSI ( (( segid " " and resid 1528 and name HN )) )( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) ) 3.300 3.300 0.000 peak 8315 weight 0.10000E+01 volume 0.25810E+01 ppm1 8.481 ppm2 1.503 ASSI ( (( segid " " and resid 1528 and name HN )) )( (( segid " " and resid 1528 and name HB1 )) ) 2.700 2.700 0.000 peak 2010 weight 0.10000E+01 volume 0.32020E+01 ppm1 8.483 ppm2 2.061 ASSI ( (( segid " " and resid 1528 and name HN )) )( (( segid " " and resid 1530 and name HN )) ) 6.000 6.000 0.000 peak 4949 weight 0.10000E+01 volume 0.24100E+00 ppm1 8.483 ppm2 7.180 ASSI ( (( segid " " and resid 1529 and name HN )) )( (( segid " " and resid 1527 and name HB3 )) OR (( segid " " and resid 1527 and name HB2 )) OR (( segid " " and resid 1527 and name HB1 )) ) 6.000 6.000 0.000 peak 6027 weight 0.10000E+01 volume 0.27900E+00 ppm1 8.184 ppm2 1.499 ASSI ( (( segid " " and resid 1529 and name HN )) )( (( segid " " and resid 1529 and name HA )) ) 3.300 3.300 0.000 peak 6023 weight 0.10000E+01 volume 0.18610E+01 ppm1 8.185 ppm2 3.791 ASSI ( (( segid " " and resid 1529 and name HN )) )( (( segid " " and resid 1529 and name HB )) ) 2.700 2.700 0.000 peak 6022 weight 0.10000E+01 volume 0.37950E+01 ppm1 8.183 ppm2 4.119 ASSI ( (( segid " " and resid 1529 and name HN )) )( (( segid " " and resid 1529 and name HG23)) OR (( segid " " and resid 1529 and name HG22)) OR (( segid " " and resid 1529 and name HG21)) ) 5.000 5.000 0.000 peak 6028 weight 0.10000E+01 volume 0.12680E+01 ppm1 8.186 ppm2 1.198 ASSI ( (( segid " " and resid 1529 and name HN )) )( (( segid " " and resid 1530 and name HN )) ) 5.000 5.000 0.000 peak 4943 weight 0.10000E+01 volume 0.13990E+01 ppm1 8.186 ppm2 7.168 ASSI ( (( segid " " and resid 1530 and name HN )) )( (( segid " " and resid 1529 and name HA )) ) 5.000 5.000 0.000 peak 5978 weight 0.10000E+01 volume 0.84700E+00 ppm1 7.169 ppm2 3.808 ASSI ( (( segid " " and resid 1530 and name HN )) )( (( segid " " and resid 1530 and name HD2 )) OR (( segid " " and resid 1530 and name HD1 )) ) 5.000 5.000 0.000 peak 5980 weight 0.10000E+01 volume 0.87300E+00 ppm1 7.169 ppm2 1.972 ASSI ( (( segid " " and resid 1530 and name HE )) )( (( segid " " and resid 1530 and name HG1 )) ) 6.000 6.000 0.000 peak 2206 weight 0.10000E+01 volume -0.25900E+00 ppm1 10.720 ppm2 0.570 ASSI ( (( segid " " and resid 1531 and name HN )) )( (( segid " " and resid 1530 and name HG1 )) ) 5.000 5.000 0.000 peak 5974 weight 0.10000E+01 volume 0.33200E+00 ppm1 8.164 ppm2 0.571 ASSI ( (( segid " " and resid 1531 and name HN )) )( (( segid " " and resid 1530 and name HG2 )) ) 5.000 5.000 0.000 peak 5975 weight 0.10000E+01 volume 0.47600E+00 ppm1 8.164 ppm2 0.131 ASSI ( (( segid " " and resid 1531 and name HN )) )( (( segid " " and resid 1530 and name HN )) ) 5.000 5.000 0.000 peak 2131 weight 0.10000E+01 volume 0.11640E+01 ppm1 8.164 ppm2 7.185 ASSI ( (( segid " " and resid 1531 and name HN )) )( (( segid " " and resid 1531 and name HA )) ) 3.300 3.300 0.000 peak 5971 weight 0.10000E+01 volume 0.17110E+01 ppm1 8.163 ppm2 3.832 ASSI ( (( segid " " and resid 1531 and name HN )) )( (( segid " " and resid 1531 and name HG2 )) ) 5.000 5.000 0.000 peak 5973 weight 0.10000E+01 volume 0.60900E+00 ppm1 8.162 ppm2 1.351 ASSI ( (( segid " " and resid 1531 and name HN )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 5.000 5.000 0.000 peak 4940 weight 0.10000E+01 volume 0.48100E+00 ppm1 8.163 ppm2 6.876 ASSI ( (( segid " " and resid 1532 and name HN )) )( (( segid " " and resid 1531 and name HG1 )) ) 6.000 6.000 0.000 peak 5965 weight 0.10000E+01 volume 0.24400E+00 ppm1 8.423 ppm2 1.504 ASSI ( (( segid " " and resid 1532 and name HN )) )( (( segid " " and resid 1531 and name HG2 )) ) 5.000 5.000 0.000 peak 5966 weight 0.10000E+01 volume 0.38600E+00 ppm1 8.422 ppm2 1.364 ASSI ( (( segid " " and resid 1532 and name HN )) )( (( segid " " and resid 1531 and name HN )) ) 5.000 5.000 0.000 peak 1806 weight 0.10000E+01 volume 0.13620E+01 ppm1 8.423 ppm2 8.164 ASSI ( (( segid " " and resid 1532 and name HN )) )( (( segid " " and resid 1533 and name HN )) ) 3.300 3.300 0.000 peak 1805 weight 0.10000E+01 volume 0.16450E+01 ppm1 8.423 ppm2 7.231 ASSI ( (( segid " " and resid 1532 and name HE21)) )( (( segid " " and resid 1532 and name HB2 )) OR (( segid " " and resid 1532 and name HB1 )) ) 6.000 6.000 0.000 peak 1999 weight 0.10000E+01 volume 0.16200E+00 ppm1 7.492 ppm2 2.037 ASSI ( (( segid " " and resid 1532 and name HE21)) )( (( segid " " and resid 1532 and name HG1 )) ) 5.000 5.000 0.000 peak 1983 weight 0.10000E+01 volume 0.73500E+00 ppm1 7.493 ppm2 2.523 ASSI ( (( segid " " and resid 1532 and name HE22)) )( (( segid " " and resid 1532 and name HG1 )) ) 5.000 5.000 0.000 peak 1982 weight 0.10000E+01 volume 0.42400E+00 ppm1 6.727 ppm2 2.523 ASSI ( (( segid " " and resid 1532 and name HE21)) )( (( segid " " and resid 1532 and name HG2 )) ) 5.000 5.000 0.000 peak 1995 weight 0.10000E+01 volume 0.48000E+00 ppm1 7.493 ppm2 2.348 ASSI ( (( segid " " and resid 1532 and name HE22)) )( (( segid " " and resid 1532 and name HG2 )) ) 6.000 6.000 0.000 peak 1994 weight 0.10000E+01 volume 0.22900E+00 ppm1 6.723 ppm2 2.347 ASSI ( (( segid " " and resid 1533 and name HN )) )( (( segid " " and resid 1530 and name HA )) ) 5.000 5.000 0.000 peak 5958 weight 0.10000E+01 volume 0.46700E+00 ppm1 7.227 ppm2 2.729 ASSI ( (( segid " " and resid 1533 and name HN )) )( (( segid " " and resid 1533 and name HB )) ) 3.300 3.300 0.000 peak 5957 weight 0.10000E+01 volume 0.23470E+01 ppm1 7.227 ppm2 3.551 ASSI ( (( segid " " and resid 1533 and name HN )) )( (( segid " " and resid 1533 and name HG23)) OR (( segid " " and resid 1533 and name HG22)) OR (( segid " " and resid 1533 and name HG21)) ) 5.000 5.000 0.000 peak 5960 weight 0.10000E+01 volume 0.87800E+00 ppm1 7.229 ppm2 1.130 ASSI ( (( segid " " and resid 1534 and name HN )) )( (( segid " " and resid 1532 and name HN )) ) 6.000 6.000 0.000 peak 1942 weight 0.10000E+01 volume 0.18800E+00 ppm1 7.848 ppm2 8.431 ASSI ( (( segid " " and resid 1534 and name HN )) )( (( segid " " and resid 1533 and name HA )) ) 5.000 5.000 0.000 peak 5226 weight 0.10000E+01 volume 0.48800E+00 ppm1 7.855 ppm2 3.725 ASSI ( (( segid " " and resid 1534 and name HN )) )( (( segid " " and resid 1533 and name HB )) ) 3.300 3.300 0.000 peak 5227 weight 0.10000E+01 volume 0.19150E+01 ppm1 7.855 ppm2 3.546 ASSI ( (( segid " " and resid 1534 and name HN )) )( (( segid " " and resid 1533 and name HN )) ) 3.300 3.300 0.000 peak 1896 weight 0.10000E+01 volume 0.18140E+01 ppm1 7.854 ppm2 7.232 ASSI ( (( segid " " and resid 1534 and name HN )) )( (( segid " " and resid 1534 and name HA )) ) 3.300 3.300 0.000 peak 1921 weight 0.10000E+01 volume 0.21090E+01 ppm1 7.855 ppm2 3.855 ASSI ( (( segid " " and resid 1534 and name HN )) )( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) ) 2.700 2.700 0.000 peak 1937 weight 0.10000E+01 volume 0.32410E+01 ppm1 7.856 ppm2 1.369 ASSI ( (( segid " " and resid 1535 and name HN )) )( (( segid " " and resid 1534 and name HB3 )) OR (( segid " " and resid 1534 and name HB2 )) OR (( segid " " and resid 1534 and name HB1 )) ) 3.300 3.300 0.000 peak 5953 weight 0.10000E+01 volume 0.16740E+01 ppm1 7.715 ppm2 1.361 ASSI ( (( segid " " and resid 1535 and name HN )) )( (( segid " " and resid 1534 and name HN )) ) 3.300 3.300 0.000 peak 4935 weight 0.10000E+01 volume 0.16390E+01 ppm1 7.715 ppm2 7.852 ASSI ( (( segid " " and resid 1535 and name HN )) )( (( segid " " and resid 1535 and name HA )) ) 5.000 5.000 0.000 peak 5948 weight 0.10000E+01 volume 0.13240E+01 ppm1 7.715 ppm2 4.567 ASSI ( (( segid " " and resid 1535 and name HN )) )( (( segid " " and resid 1535 and name HB1 )) ) 3.300 3.300 0.000 peak 5950 weight 0.10000E+01 volume 0.15810E+01 ppm1 7.715 ppm2 3.336 ASSI ( (( segid " " and resid 1535 and name HN )) )( (( segid " " and resid 1535 and name HB2 )) ) 3.300 3.300 0.000 peak 5951 weight 0.10000E+01 volume 0.24440E+01 ppm1 7.715 ppm2 2.707 ASSI ( (( segid " " and resid 1535 and name HN )) )( (( segid " " and resid 1536 and name HN )) ) 3.300 3.300 0.000 peak 6315 weight 0.10000E+01 volume 0.17130E+01 ppm1 7.712 ppm2 7.570 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1535 and name HA )) ) 5.000 5.000 0.000 peak 5933 weight 0.10000E+01 volume 0.61500E+00 ppm1 7.572 ppm2 4.567 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1535 and name HB1 )) ) 6.000 6.000 0.000 peak 5935 weight 0.10000E+01 volume 0.27900E+00 ppm1 7.572 ppm2 3.324 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1535 and name HB2 )) ) 5.000 5.000 0.000 peak 5937 weight 0.10000E+01 volume 0.40600E+00 ppm1 7.570 ppm2 2.703 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1536 and name HA )) ) 5.000 5.000 0.000 peak 5934 weight 0.10000E+01 volume 0.86700E+00 ppm1 7.572 ppm2 4.413 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1536 and name HB2 )) ) 3.300 3.300 0.000 peak 5940 weight 0.10000E+01 volume 0.19810E+01 ppm1 7.573 ppm2 1.872 ASSI ( (( segid " " and resid 1536 and name HN )) )( (( segid " " and resid 1536 and name HG2 )) ) 5.000 5.000 0.000 peak 5941 weight 0.10000E+01 volume 0.88500E+00 ppm1 7.572 ppm2 1.637 ASSI ( (( segid " " and resid 1538 and name HN )) )( (( segid " " and resid 1538 and name HA )) ) 3.300 3.300 0.000 peak 5927 weight 0.10000E+01 volume 0.19140E+01 ppm1 8.879 ppm2 4.071 ASSI ( (( segid " " and resid 1538 and name HN )) )( (( segid " " and resid 1539 and name HN )) ) 5.000 5.000 0.000 peak 4932 weight 0.10000E+01 volume 0.14180E+01 ppm1 8.879 ppm2 7.365 ASSI ( (( segid " " and resid 1539 and name HN )) )( (( segid " " and resid 1536 and name HB2 )) ) 5.000 5.000 0.000 peak 5913 weight 0.10000E+01 volume 0.71000E+00 ppm1 7.362 ppm2 1.902 ASSI ( (( segid " " and resid 1539 and name HN )) )( (( segid " " and resid 1538 and name HA )) ) 5.000 5.000 0.000 peak 5909 weight 0.10000E+01 volume 0.41200E+00 ppm1 7.362 ppm2 4.079 ASSI ( (( segid " " and resid 1539 and name HN )) )( (( segid " " and resid 1539 and name HA )) ) 5.000 5.000 0.000 peak 5910 weight 0.10000E+01 volume 0.83100E+00 ppm1 7.364 ppm2 3.913 ASSI ( (( segid " " and resid 1539 and name HN )) )( (( segid " " and resid 1539 and name HB )) ) 3.300 3.300 0.000 peak 5911 weight 0.10000E+01 volume 0.28310E+01 ppm1 7.363 ppm2 2.213 ASSI ( (( segid " " and resid 1539 and name HN )) )( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) ) 5.000 5.000 0.000 peak 5917 weight 0.10000E+01 volume 0.44300E+00 ppm1 7.365 ppm2 0.514 ASSI ( (( segid " " and resid 1539 and name HN )) )( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 5.000 5.000 0.000 peak 5916 weight 0.10000E+01 volume 0.55800E+00 ppm1 7.362 ppm2 0.705 ASSI ( (( segid " " and resid 1539 and name HN )) )( (( segid " " and resid 1540 and name HN )) ) 6.000 6.000 0.000 peak 4929 weight 0.10000E+01 volume 0.21500E+00 ppm1 7.362 ppm2 8.741 ASSI ( (( segid " " and resid 1540 and name HN )) )( (( segid " " and resid 1539 and name HA )) ) 2.700 2.700 0.000 peak 5899 weight 0.10000E+01 volume 0.32770E+01 ppm1 8.739 ppm2 3.919 ASSI ( (( segid " " and resid 1540 and name HN )) )( (( segid " " and resid 1539 and name HB )) ) 6.000 6.000 0.000 peak 5900 weight 0.10000E+01 volume 0.24500E+00 ppm1 8.742 ppm2 2.214 ASSI ( (( segid " " and resid 1540 and name HN )) )( (( segid " " and resid 1539 and name HD13)) OR (( segid " " and resid 1539 and name HD12)) OR (( segid " " and resid 1539 and name HD11)) ) 5.000 5.000 0.000 peak 5904 weight 0.10000E+01 volume 0.65300E+00 ppm1 8.743 ppm2 0.499 ASSI ( (( segid " " and resid 1540 and name HN )) )( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 5.000 5.000 0.000 peak 5903 weight 0.10000E+01 volume 0.79700E+00 ppm1 8.742 ppm2 0.704 ASSI ( (( segid " " and resid 1540 and name HN )) )( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 3.300 3.300 0.000 peak 5901 weight 0.10000E+01 volume 0.23590E+01 ppm1 8.741 ppm2 1.622 ASSI ( (( segid " " and resid 1540 and name HN )) )( (( segid " " and resid 1541 and name HN )) ) 3.300 3.300 0.000 peak 4927 weight 0.10000E+01 volume 0.15810E+01 ppm1 8.742 ppm2 6.953 ASSI ( (( segid " " and resid 1540 and name HN )) )( (( segid " " and resid 1605 and name HN )) ) 6.000 6.000 0.000 peak 2407 weight 0.10000E+01 volume 0.23100E+00 ppm1 8.743 ppm2 8.298 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1539 and name HA )) ) 5.000 5.000 0.000 peak 2442 weight 0.10000E+01 volume 0.98300E+00 ppm1 6.950 ppm2 3.925 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1539 and name HG23)) OR (( segid " " and resid 1539 and name HG22)) OR (( segid " " and resid 1539 and name HG21)) ) 3.300 3.300 0.000 peak 4122 weight 0.10000E+01 volume 0.18590E+01 ppm1 6.949 ppm2 0.705 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 3.300 3.300 0.000 peak 2459 weight 0.10000E+01 volume 0.18510E+01 ppm1 6.950 ppm2 1.625 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1541 and name HA )) ) 5.000 5.000 0.000 peak 2440 weight 0.10000E+01 volume 0.93200E+00 ppm1 6.949 ppm2 4.537 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1541 and name HB2 )) OR (( segid " " and resid 1541 and name HB1 )) ) 5.000 5.000 0.000 peak 2443 weight 0.10000E+01 volume 0.87100E+00 ppm1 6.951 ppm2 2.563 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1541 and name HD2 )) ) 5.000 5.000 0.000 peak 2399 weight 0.10000E+01 volume 0.45100E+00 ppm1 6.946 ppm2 5.456 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1603 and name HN )) ) 5.000 5.000 0.000 peak 2409 weight 0.10000E+01 volume 0.81400E+00 ppm1 6.946 ppm2 5.593 ASSI ( (( segid " " and resid 1541 and name HN )) )( (( segid " " and resid 1604 and name HA )) ) 5.000 5.000 0.000 peak 2439 weight 0.10000E+01 volume 0.42500E+00 ppm1 6.948 ppm2 4.658 ASSI ( (( segid " " and resid 1542 and name HN )) )( (( segid " " and resid 1541 and name HA )) ) 3.300 3.300 0.000 peak 5886 weight 0.10000E+01 volume 0.27630E+01 ppm1 8.078 ppm2 4.543 ASSI ( (( segid " " and resid 1542 and name HN )) )( (( segid " " and resid 1541 and name HB2 )) OR (( segid " " and resid 1541 and name HB1 )) ) 3.300 3.300 0.000 peak 5888 weight 0.10000E+01 volume 0.22260E+01 ppm1 8.078 ppm2 2.569 ASSI ( (( segid " " and resid 1542 and name HN )) )( (( segid " " and resid 1542 and name HA )) ) 5.000 5.000 0.000 peak 5883 weight 0.10000E+01 volume 0.49400E+00 ppm1 8.078 ppm2 5.084 ASSI ( (( segid " " and resid 1542 and name HN )) )( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) ) 3.300 3.300 0.000 peak 5891 weight 0.10000E+01 volume 0.20010E+01 ppm1 8.077 ppm2 1.391 ASSI ( (( segid " " and resid 1542 and name HN )) )( (( segid " " and resid 1568 and name HB2 )) ) 5.000 5.000 0.000 peak 5890 weight 0.10000E+01 volume 0.11660E+01 ppm1 8.078 ppm2 1.548 ASSI ( (( segid " " and resid 1542 and name HN )) )( (( segid " " and resid 1568 and name HN )) ) 5.000 5.000 0.000 peak 4926 weight 0.10000E+01 volume 0.12110E+01 ppm1 8.080 ppm2 7.942 ASSI ( (( segid " " and resid 1542 and name HN )) )( (( segid " " and resid 1569 and name HA )) ) 5.000 5.000 0.000 peak 5884 weight 0.10000E+01 volume 0.40400E+00 ppm1 8.076 ppm2 4.804 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1542 and name HA )) ) 3.300 3.300 0.000 peak 4131 weight 0.10000E+01 volume 0.28820E+01 ppm1 9.709 ppm2 5.100 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1542 and name HB3 )) OR (( segid " " and resid 1542 and name HB2 )) OR (( segid " " and resid 1542 and name HB1 )) ) 5.000 5.000 0.000 peak 4124 weight 0.10000E+01 volume 0.10230E+01 ppm1 9.705 ppm2 1.388 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1542 and name HN )) ) 6.000 6.000 0.000 peak 4135 weight 0.10000E+01 volume 0.23800E+00 ppm1 9.705 ppm2 8.076 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1543 and name HA )) ) 5.000 5.000 0.000 peak 4133 weight 0.10000E+01 volume 0.74600E+00 ppm1 9.707 ppm2 5.722 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1543 and name HB1 )) ) 5.000 5.000 0.000 peak 4130 weight 0.10000E+01 volume 0.55900E+00 ppm1 9.701 ppm2 3.277 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1543 and name HB2 )) ) 5.000 5.000 0.000 peak 4129 weight 0.10000E+01 volume 0.90200E+00 ppm1 9.709 ppm2 2.970 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) ) 5.000 5.000 0.000 peak 4125 weight 0.10000E+01 volume 0.58500E+00 ppm1 9.705 ppm2 1.272 ASSI ( (( segid " " and resid 1543 and name HN )) )( (( segid " " and resid 1601 and name HN )) ) 5.000 5.000 0.000 peak 4136 weight 0.10000E+01 volume 0.51600E+00 ppm1 9.709 ppm2 9.410 ASSI ( (( segid " " and resid 1544 and name HN )) )( (( segid " " and resid 1543 and name HB2 )) ) 5.000 5.000 0.000 peak 4143 weight 0.10000E+01 volume 0.67800E+00 ppm1 8.516 ppm2 2.969 ASSI ( (( segid " " and resid 1544 and name HN )) )( (( segid " " and resid 1544 and name HB2 )) ) 3.300 3.300 0.000 peak 4147 weight 0.10000E+01 volume 0.15350E+01 ppm1 8.517 ppm2 1.415 ASSI ( (( segid " " and resid 1544 and name HN )) )( (( segid " " and resid 1564 and name HN )) ) 5.000 5.000 0.000 peak 4139 weight 0.10000E+01 volume 0.42100E+00 ppm1 8.516 ppm2 8.741 ASSI ( (( segid " " and resid 1544 and name HN )) )( (( segid " " and resid 1565 and name HN )) ) 5.000 5.000 0.000 peak 4138 weight 0.10000E+01 volume 0.68400E+00 ppm1 8.516 ppm2 7.745 ASSI ( (( segid " " and resid 1545 and name HN )) )( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 3.300 3.300 0.000 peak 5556 weight 0.10000E+01 volume 0.23790E+01 ppm1 9.356 ppm2 0.904 ASSI ( (( segid " " and resid 1545 and name HN )) )( (( segid " " and resid 1599 and name HN )) ) 5.000 5.000 0.000 peak 3496 weight 0.10000E+01 volume 0.97600E+00 ppm1 9.356 ppm2 8.786 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1545 and name HA )) ) 3.300 3.300 0.000 peak 5862 weight 0.10000E+01 volume 0.28800E+01 ppm1 8.519 ppm2 5.686 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1545 and name HB )) ) 3.300 3.300 0.000 peak 5868 weight 0.10000E+01 volume 0.19200E+01 ppm1 8.521 ppm2 2.255 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1545 and name HG13)) OR (( segid " " and resid 1545 and name HG12)) OR (( segid " " and resid 1545 and name HG11)) ) 5.000 5.000 0.000 peak 5872 weight 0.10000E+01 volume 0.84000E+00 ppm1 8.522 ppm2 1.104 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1545 and name HG23)) OR (( segid " " and resid 1545 and name HG22)) OR (( segid " " and resid 1545 and name HG21)) ) 5.000 5.000 0.000 peak 5873 weight 0.10000E+01 volume 0.67200E+00 ppm1 8.521 ppm2 0.905 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1546 and name HB1 )) ) 3.300 3.300 0.000 peak 5866 weight 0.10000E+01 volume 0.15240E+01 ppm1 8.521 ppm2 3.787 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1561 and name HA )) ) 5.000 5.000 0.000 peak 5863 weight 0.10000E+01 volume 0.44200E+00 ppm1 8.525 ppm2 5.590 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1562 and name HN )) ) 5.000 5.000 0.000 peak 4894 weight 0.10000E+01 volume 0.11450E+01 ppm1 8.520 ppm2 9.072 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1564 and name HD13)) OR (( segid " " and resid 1564 and name HD12)) OR (( segid " " and resid 1564 and name HD11)) ) 5.000 5.000 0.000 peak 5875 weight 0.10000E+01 volume 0.81200E+00 ppm1 8.522 ppm2 0.660 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) ) 5.000 5.000 0.000 peak 5874 weight 0.10000E+01 volume 0.45400E+00 ppm1 8.519 ppm2 0.748 ASSI ( (( segid " " and resid 1546 and name HN )) )( (( segid " " and resid 1564 and name HN )) ) 5.000 5.000 0.000 peak 4923 weight 0.10000E+01 volume 0.43000E+00 ppm1 8.522 ppm2 8.722 ASSI ( (( segid " " and resid 1547 and name HN )) )( (( segid " " and resid 1547 and name HA )) ) 5.000 5.000 0.000 peak 5849 weight 0.10000E+01 volume 0.56900E+00 ppm1 8.450 ppm2 4.523 ASSI ( (( segid " " and resid 1547 and name HN )) )( (( segid " " and resid 1598 and name HA )) ) 5.000 5.000 0.000 peak 5847 weight 0.10000E+01 volume 0.73100E+00 ppm1 8.451 ppm2 5.751 ASSI ( (( segid " " and resid 1548 and name HN )) )( (( segid " " and resid 1547 and name HA )) ) 3.300 3.300 0.000 peak 5837 weight 0.10000E+01 volume 0.29000E+01 ppm1 9.904 ppm2 4.523 ASSI ( (( segid " " and resid 1548 and name HN )) )( (( segid " " and resid 1548 and name HB )) ) 5.000 5.000 0.000 peak 5838 weight 0.10000E+01 volume 0.57900E+00 ppm1 9.906 ppm2 4.202 ASSI ( (( segid " " and resid 1548 and name HN )) )( (( segid " " and resid 1561 and name HA )) ) 3.300 3.300 0.000 peak 5836 weight 0.10000E+01 volume 0.18810E+01 ppm1 9.905 ppm2 5.588 ASSI ( (( segid " " and resid 1548 and name HN )) )( (( segid " " and resid 1562 and name HN )) ) 5.000 5.000 0.000 peak 4896 weight 0.10000E+01 volume 0.43900E+00 ppm1 9.903 ppm2 9.059 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1547 and name HA )) ) 5.000 5.000 0.000 peak 5820 weight 0.10000E+01 volume 0.11470E+01 ppm1 7.830 ppm2 4.522 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1547 and name HG23)) OR (( segid " " and resid 1547 and name HG22)) OR (( segid " " and resid 1547 and name HG21)) ) 3.300 3.300 0.000 peak 5830 weight 0.10000E+01 volume 0.16790E+01 ppm1 7.830 ppm2 1.007 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1548 and name HB )) ) 5.000 5.000 0.000 peak 5821 weight 0.10000E+01 volume 0.79600E+00 ppm1 7.830 ppm2 4.207 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1548 and name HN )) ) 2.700 2.700 0.000 peak 4918 weight 0.10000E+01 volume 0.31340E+01 ppm1 7.830 ppm2 9.902 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1560 and name HB2 )) ) 5.000 5.000 0.000 peak 5826 weight 0.10000E+01 volume 0.75900E+00 ppm1 7.830 ppm2 1.659 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1560 and name HN )) ) 5.000 5.000 0.000 peak 4902 weight 0.10000E+01 volume 0.10280E+01 ppm1 7.830 ppm2 8.690 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1561 and name HA )) ) 5.000 5.000 0.000 peak 5818 weight 0.10000E+01 volume 0.38000E+00 ppm1 7.830 ppm2 5.589 ASSI ( (( segid " " and resid 1549 and name HN )) )( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) ) 5.000 5.000 0.000 peak 5828 weight 0.10000E+01 volume 0.51300E+00 ppm1 7.827 ppm2 1.377 ASSI ( (( segid " " and resid 1550 and name HN )) )( (( segid " " and resid 1549 and name HB2 )) OR (( segid " " and resid 1549 and name HB1 )) ) 3.300 3.300 0.000 peak 5809 weight 0.10000E+01 volume 0.17830E+01 ppm1 8.510 ppm2 3.868 ASSI ( (( segid " " and resid 1550 and name HN )) )( (( segid " " and resid 1549 and name HN )) ) 6.000 6.000 0.000 peak 4917 weight 0.10000E+01 volume 0.24500E+00 ppm1 8.514 ppm2 7.833 ASSI ( (( segid " " and resid 1550 and name HN )) )( (( segid " " and resid 1550 and name HB )) ) 3.300 3.300 0.000 peak 5805 weight 0.10000E+01 volume 0.18870E+01 ppm1 8.511 ppm2 1.673 ASSI ( (( segid " " and resid 1550 and name HN )) )( (( segid " " and resid 1550 and name HD13)) OR (( segid " " and resid 1550 and name HD12)) OR (( segid " " and resid 1550 and name HD11)) ) 5.000 5.000 0.000 peak 5802 weight 0.10000E+01 volume 0.48400E+00 ppm1 8.509 ppm2 1.086 ASSI ( (( segid " " and resid 1550 and name HN )) )( (( segid " " and resid 1550 and name HG12)) ) 5.000 5.000 0.000 peak 5803 weight 0.10000E+01 volume 0.53100E+00 ppm1 8.513 ppm2 1.261 ASSI ( (( segid " " and resid 1551 and name HN )) )( (( segid " " and resid 1550 and name HA )) ) 2.700 2.700 0.000 peak 5799 weight 0.10000E+01 volume 0.45060E+01 ppm1 8.851 ppm2 4.673 ASSI ( (( segid " " and resid 1551 and name HN )) )( (( segid " " and resid 1550 and name HG23)) OR (( segid " " and resid 1550 and name HG22)) OR (( segid " " and resid 1550 and name HG21)) ) 3.300 3.300 0.000 peak 5793 weight 0.10000E+01 volume 0.19980E+01 ppm1 8.851 ppm2 0.605 ASSI ( (( segid " " and resid 1551 and name HN )) )( (( segid " " and resid 1551 and name HB )) ) 3.300 3.300 0.000 peak 5797 weight 0.10000E+01 volume 0.17330E+01 ppm1 8.850 ppm2 3.945 ASSI ( (( segid " " and resid 1551 and name HN )) )( (( segid " " and resid 1559 and name HA )) ) 5.000 5.000 0.000 peak 5800 weight 0.10000E+01 volume 0.56500E+00 ppm1 8.852 ppm2 5.340 ASSI ( (( segid " " and resid 1552 and name HN )) )( (( segid " " and resid 1551 and name HA )) ) 2.700 2.700 0.000 peak 5791 weight 0.10000E+01 volume 0.57120E+01 ppm1 8.822 ppm2 4.608 ASSI ( (( segid " " and resid 1552 and name HN )) )( (( segid " " and resid 1551 and name HB )) ) 5.000 5.000 0.000 peak 5789 weight 0.10000E+01 volume 0.56400E+00 ppm1 8.822 ppm2 3.946 ASSI ( (( segid " " and resid 1552 and name HN )) )( (( segid " " and resid 1551 and name HG23)) OR (( segid " " and resid 1551 and name HG22)) OR (( segid " " and resid 1551 and name HG21)) ) 5.000 5.000 0.000 peak 5787 weight 0.10000E+01 volume 0.12720E+01 ppm1 8.823 ppm2 1.186 ASSI ( (( segid " " and resid 1552 and name HN )) )( (( segid " " and resid 1552 and name HA )) ) 5.000 5.000 0.000 peak 5790 weight 0.10000E+01 volume 0.78900E+00 ppm1 8.822 ppm2 4.257 ASSI ( (( segid " " and resid 1552 and name HN )) )( (( segid " " and resid 1552 and name HB )) ) 3.300 3.300 0.000 peak 5788 weight 0.10000E+01 volume 0.24240E+01 ppm1 8.822 ppm2 1.992 ASSI ( (( segid " " and resid 1552 and name HN )) )( (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) ) 3.300 3.300 0.000 peak 5784 weight 0.10000E+01 volume 0.26180E+01 ppm1 8.822 ppm2 0.905 ASSI ( (( segid " " and resid 1552 and name HN )) )( (( segid " " and resid 1553 and name HN )) ) 5.000 5.000 0.000 peak 4912 weight 0.10000E+01 volume 0.45100E+00 ppm1 8.823 ppm2 8.653 ASSI ( (( segid " " and resid 1553 and name HN )) )( (( segid " " and resid 1552 and name HA )) ) 2.700 2.700 0.000 peak 5781 weight 0.10000E+01 volume 0.50910E+01 ppm1 8.637 ppm2 4.257 ASSI ( (( segid " " and resid 1553 and name HN )) )( (( segid " " and resid 1552 and name HG23)) OR (( segid " " and resid 1552 and name HG22)) OR (( segid " " and resid 1552 and name HG21)) OR (( segid " " and resid 1552 and name HG13)) OR (( segid " " and resid 1552 and name HG12)) OR (( segid " " and resid 1552 and name HG11)) ) 2.700 2.700 0.000 peak 5778 weight 0.10000E+01 volume 0.30000E+01 ppm1 8.636 ppm2 0.888 ASSI ( (( segid " " and resid 1553 and name HN )) )( (( segid " " and resid 1553 and name HA )) ) 3.300 3.300 0.000 peak 5783 weight 0.10000E+01 volume 0.16530E+01 ppm1 8.638 ppm2 4.628 ASSI ( (( segid " " and resid 1554 and name HN )) )( (( segid " " and resid 1554 and name HA )) ) 3.300 3.300 0.000 peak 5775 weight 0.10000E+01 volume 0.16360E+01 ppm1 8.712 ppm2 4.272 ASSI ( (( segid " " and resid 1554 and name HN )) )( (( segid " " and resid 1554 and name HB2 )) OR (( segid " " and resid 1554 and name HB1 )) ) 5.000 5.000 0.000 peak 5776 weight 0.10000E+01 volume 0.86100E+00 ppm1 8.709 ppm2 2.951 ASSI ( (( segid " " and resid 1554 and name HD22)) )( (( segid " " and resid 1554 and name HA )) ) 6.000 6.000 0.000 peak 4781 weight 0.10000E+01 volume 0.22900E+00 ppm1 7.006 ppm2 4.289 ASSI ( (( segid " " and resid 1554 and name HD22)) )( (( segid " " and resid 1554 and name HB2 )) OR (( segid " " and resid 1554 and name HB1 )) ) 5.000 5.000 0.000 peak 4782 weight 0.10000E+01 volume 0.60200E+00 ppm1 7.010 ppm2 2.968 ASSI ( (( segid " " and resid 1554 and name HD21)) )( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) ) 6.000 6.000 0.000 peak 4788 weight 0.10000E+01 volume 0.16100E+00 ppm1 7.747 ppm2 0.527 ASSI ( (( segid " " and resid 1554 and name HD22)) )( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) ) 6.000 6.000 0.000 peak 4787 weight 0.10000E+01 volume 0.23400E+00 ppm1 7.008 ppm2 0.526 ASSI ( (( segid " " and resid 1555 and name HN )) )( (( segid " " and resid 1554 and name HB2 )) OR (( segid " " and resid 1554 and name HB1 )) ) 3.300 3.300 0.000 peak 5762 weight 0.10000E+01 volume 0.15690E+01 ppm1 7.823 ppm2 2.961 ASSI ( (( segid " " and resid 1555 and name HN )) )( (( segid " " and resid 1555 and name HA )) ) 5.000 5.000 0.000 peak 5763 weight 0.10000E+01 volume 0.62600E+00 ppm1 7.827 ppm2 4.097 ASSI ( (( segid " " and resid 1555 and name HN )) )( (( segid " " and resid 1555 and name HB )) ) 5.000 5.000 0.000 peak 5760 weight 0.10000E+01 volume 0.54600E+00 ppm1 7.826 ppm2 2.003 ASSI ( (( segid " " and resid 1555 and name HN )) )( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) ) 3.300 3.300 0.000 peak 5758 weight 0.10000E+01 volume 0.17100E+01 ppm1 7.825 ppm2 0.527 ASSI ( (( segid " " and resid 1555 and name HN )) )( (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 6.000 6.000 0.000 peak 4909 weight 0.10000E+01 volume 0.23400E+00 ppm1 7.829 ppm2 7.188 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1553 and name HB2 )) OR (( segid " " and resid 1553 and name HB1 )) ) 5.000 5.000 0.000 peak 4162 weight 0.10000E+01 volume 0.97100E+00 ppm1 8.040 ppm2 2.125 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1553 and name HN )) ) 5.000 5.000 0.000 peak 4153 weight 0.10000E+01 volume 0.38500E+00 ppm1 8.047 ppm2 8.653 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1555 and name HA )) ) 5.000 5.000 0.000 peak 4159 weight 0.10000E+01 volume 0.79100E+00 ppm1 8.040 ppm2 4.085 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1555 and name HB )) ) 3.300 3.300 0.000 peak 4163 weight 0.10000E+01 volume 0.15610E+01 ppm1 8.041 ppm2 2.013 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1555 and name HG23)) OR (( segid " " and resid 1555 and name HG22)) OR (( segid " " and resid 1555 and name HG21)) OR (( segid " " and resid 1555 and name HG13)) OR (( segid " " and resid 1555 and name HG12)) OR (( segid " " and resid 1555 and name HG11)) ) 5.000 5.000 0.000 peak 4165 weight 0.10000E+01 volume 0.11190E+01 ppm1 8.041 ppm2 0.527 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1555 and name HN )) ) 3.300 3.300 0.000 peak 4155 weight 0.10000E+01 volume 0.26630E+01 ppm1 8.043 ppm2 7.817 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1556 and name HA )) ) 5.000 5.000 0.000 peak 4157 weight 0.10000E+01 volume 0.11680E+01 ppm1 8.043 ppm2 5.424 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1556 and name HB2 )) ) 3.300 3.300 0.000 peak 4161 weight 0.10000E+01 volume 0.16230E+01 ppm1 8.040 ppm2 2.791 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 5.000 5.000 0.000 peak 4156 weight 0.10000E+01 volume 0.91700E+00 ppm1 8.041 ppm2 7.187 ASSI ( (( segid " " and resid 1556 and name HN )) )( (( segid " " and resid 1557 and name HN )) ) 5.000 5.000 0.000 peak 4152 weight 0.10000E+01 volume 0.31700E+00 ppm1 8.044 ppm2 9.319 ASSI ( (( segid " " and resid 1557 and name HN )) )( (( segid " " and resid 1556 and name HA )) ) 3.300 3.300 0.000 peak 5750 weight 0.10000E+01 volume 0.23180E+01 ppm1 9.294 ppm2 5.426 ASSI ( (( segid " " and resid 1557 and name HN )) )( (( segid " " and resid 1556 and name HB1 )) ) 5.000 5.000 0.000 peak 5753 weight 0.10000E+01 volume 0.85400E+00 ppm1 9.298 ppm2 2.997 ASSI ( (( segid " " and resid 1557 and name HN )) )( (( segid " " and resid 1556 and name HB2 )) ) 5.000 5.000 0.000 peak 5754 weight 0.10000E+01 volume 0.47700E+00 ppm1 9.296 ppm2 2.791 ASSI ( (( segid " " and resid 1557 and name HN )) )( (( segid " " and resid 1556 and name HD2 )) OR (( segid " " and resid 1556 and name HD1 )) ) 5.000 5.000 0.000 peak 4906 weight 0.10000E+01 volume 0.39700E+00 ppm1 9.293 ppm2 7.187 ASSI ( (( segid " " and resid 1557 and name HN )) )( (( segid " " and resid 1557 and name HA )) ) 5.000 5.000 0.000 peak 5752 weight 0.10000E+01 volume 0.35700E+00 ppm1 9.289 ppm2 4.396 ASSI ( (( segid " " and resid 1557 and name HN )) )( (( segid " " and resid 1557 and name HG23)) OR (( segid " " and resid 1557 and name HG22)) OR (( segid " " and resid 1557 and name HG21)) ) 5.000 5.000 0.000 peak 5769 weight 0.10000E+01 volume 0.33700E+00 ppm1 9.300 ppm2 0.364 ASSI ( (( segid " " and resid 1557 and name HN )) )( (( segid " " and resid 1584 and name HN )) ) 5.000 5.000 0.000 peak 4858 weight 0.10000E+01 volume 0.46100E+00 ppm1 9.293 ppm2 9.053 ASSI ( (( segid " " and resid 1557 and name HN )) )( (( segid " " and resid 1586 and name HN )) ) 6.000 6.000 0.000 peak 4905 weight 0.10000E+01 volume 0.24100E+00 ppm1 9.293 ppm2 8.455 ASSI ( (( segid " " and resid 1558 and name HN )) )( (( segid " " and resid 1557 and name HA )) ) 2.700 2.700 0.000 peak 5748 weight 0.10000E+01 volume 0.34630E+01 ppm1 8.924 ppm2 4.406 ASSI ( (( segid " " and resid 1558 and name HN )) )( (( segid " " and resid 1558 and name HG1 )) ) 5.000 5.000 0.000 peak 5744 weight 0.10000E+01 volume 0.50700E+00 ppm1 8.923 ppm2 1.282 ASSI ( (( segid " " and resid 1558 and name HN )) )( (( segid " " and resid 1558 and name HG2 )) ) 5.000 5.000 0.000 peak 5745 weight 0.10000E+01 volume 0.30300E+00 ppm1 8.923 ppm2 1.146 ASSI ( (( segid " " and resid 1559 and name HN )) )( (( segid " " and resid 1558 and name HA )) ) 2.700 2.700 0.000 peak 4171 weight 0.10000E+01 volume 0.33910E+01 ppm1 9.487 ppm2 5.189 ASSI ( (( segid " " and resid 1559 and name HN )) )( (( segid " " and resid 1558 and name HG1 )) ) 6.000 6.000 0.000 peak 4176 weight 0.10000E+01 volume 0.21800E+00 ppm1 9.482 ppm2 1.279 ASSI ( (( segid " " and resid 1559 and name HN )) )( (( segid " " and resid 1558 and name HN )) ) 6.000 6.000 0.000 peak 4168 weight 0.10000E+01 volume 0.18700E+00 ppm1 9.484 ppm2 8.920 ASSI ( (( segid " " and resid 1559 and name HN )) )( (( segid " " and resid 1559 and name HB2 )) ) 5.000 5.000 0.000 peak 4173 weight 0.10000E+01 volume 0.81700E+00 ppm1 9.490 ppm2 2.882 ASSI ( (( segid " " and resid 1560 and name HN )) )( (( segid " " and resid 1559 and name HB2 )) ) 5.000 5.000 0.000 peak 5733 weight 0.10000E+01 volume 0.36300E+00 ppm1 8.682 ppm2 2.880 ASSI ( (( segid " " and resid 1560 and name HN )) )( (( segid " " and resid 1559 and name HD2 )) OR (( segid " " and resid 1559 and name HD1 )) ) 6.000 6.000 0.000 peak 4903 weight 0.10000E+01 volume 0.24600E+00 ppm1 8.685 ppm2 6.882 ASSI ( (( segid " " and resid 1560 and name HN )) )( (( segid " " and resid 1561 and name HN )) ) 6.000 6.000 0.000 peak 4900 weight 0.10000E+01 volume 0.25500E+00 ppm1 8.682 ppm2 9.317 ASSI ( (( segid " " and resid 1561 and name HN )) )( (( segid " " and resid 1560 and name HA )) ) 2.700 2.700 0.000 peak 5726 weight 0.10000E+01 volume 0.42080E+01 ppm1 9.332 ppm2 5.278 ASSI ( (( segid " " and resid 1561 and name HN )) )( (( segid " " and resid 1560 and name HB1 )) ) 5.000 5.000 0.000 peak 5724 weight 0.10000E+01 volume 0.36400E+00 ppm1 9.334 ppm2 1.850 ASSI ( (( segid " " and resid 1561 and name HN )) )( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) ) 3.300 3.300 0.000 peak 5721 weight 0.10000E+01 volume 0.20800E+01 ppm1 9.332 ppm2 1.378 ASSI ( (( segid " " and resid 1561 and name HN )) )( (( segid " " and resid 1562 and name HN )) ) 6.000 6.000 0.000 peak 4899 weight 0.10000E+01 volume 0.17400E+00 ppm1 9.333 ppm2 9.096 ASSI ( (( segid " " and resid 1562 and name HN )) )( (( segid " " and resid 1547 and name HA )) ) 5.000 5.000 0.000 peak 5711 weight 0.10000E+01 volume 0.50600E+00 ppm1 9.074 ppm2 4.522 ASSI ( (( segid " " and resid 1562 and name HN )) )( (( segid " " and resid 1561 and name HA )) ) 2.700 2.700 0.000 peak 5709 weight 0.10000E+01 volume 0.34190E+01 ppm1 9.075 ppm2 5.589 ASSI ( (( segid " " and resid 1562 and name HN )) )( (( segid " " and resid 1561 and name HB3 )) OR (( segid " " and resid 1561 and name HB2 )) OR (( segid " " and resid 1561 and name HB1 )) ) 3.300 3.300 0.000 peak 5716 weight 0.10000E+01 volume 0.15750E+01 ppm1 9.075 ppm2 1.381 ASSI ( (( segid " " and resid 1562 and name HN )) )( (( segid " " and resid 1562 and name HB )) ) 3.300 3.300 0.000 peak 5713 weight 0.10000E+01 volume 0.23830E+01 ppm1 9.074 ppm2 3.813 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1562 and name HA )) ) 3.300 3.300 0.000 peak 5704 weight 0.10000E+01 volume 0.23280E+01 ppm1 8.858 ppm2 4.720 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1562 and name HB )) ) 6.000 6.000 0.000 peak 5702 weight 0.10000E+01 volume 0.25900E+00 ppm1 8.856 ppm2 3.813 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1563 and name HA )) ) 5.000 5.000 0.000 peak 5703 weight 0.10000E+01 volume 0.85800E+00 ppm1 8.859 ppm2 4.173 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1563 and name HB1 )) ) 3.300 3.300 0.000 peak 5701 weight 0.10000E+01 volume 0.15350E+01 ppm1 8.860 ppm2 1.815 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 5695 weight 0.10000E+01 volume 0.46200E+00 ppm1 8.859 ppm2 0.110 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1577 and name HN )) ) 5.000 5.000 0.000 peak 4873 weight 0.10000E+01 volume 0.44100E+00 ppm1 8.855 ppm2 9.365 ASSI ( (( segid " " and resid 1563 and name HN )) )( (( segid " " and resid 1578 and name HN )) ) 5.000 5.000 0.000 peak 4869 weight 0.10000E+01 volume 0.36700E+00 ppm1 8.857 ppm2 7.669 ASSI ( (( segid " " and resid 1564 and name HN )) )( (( segid " " and resid 1563 and name HA )) ) 3.300 3.300 0.000 peak 5688 weight 0.10000E+01 volume 0.27130E+01 ppm1 8.731 ppm2 4.187 ASSI ( (( segid " " and resid 1564 and name HN )) )( (( segid " " and resid 1564 and name HB2 )) OR (( segid " " and resid 1564 and name HB1 )) ) 3.300 3.300 0.000 peak 5686 weight 0.10000E+01 volume 0.15140E+01 ppm1 8.731 ppm2 1.262 ASSI ( (( segid " " and resid 1564 and name HN )) )( (( segid " " and resid 1564 and name HG )) ) 5.000 5.000 0.000 peak 5687 weight 0.10000E+01 volume 0.10450E+01 ppm1 8.732 ppm2 1.522 ASSI ( (( segid " " and resid 1565 and name HN )) )( (( segid " " and resid 1545 and name HA )) ) 5.000 5.000 0.000 peak 5673 weight 0.10000E+01 volume 0.59400E+00 ppm1 7.744 ppm2 5.687 ASSI ( (( segid " " and resid 1565 and name HN )) )( (( segid " " and resid 1564 and name HD23)) OR (( segid " " and resid 1564 and name HD22)) OR (( segid " " and resid 1564 and name HD21)) ) 5.000 5.000 0.000 peak 5679 weight 0.10000E+01 volume 0.85300E+00 ppm1 7.744 ppm2 0.748 ASSI ( (( segid " " and resid 1565 and name HN )) )( (( segid " " and resid 1564 and name HN )) ) 3.300 3.300 0.000 peak 4890 weight 0.10000E+01 volume 0.18160E+01 ppm1 7.743 ppm2 8.737 ASSI ( (( segid " " and resid 1565 and name HN )) )( (( segid " " and resid 1565 and name HB2 )) OR (( segid " " and resid 1565 and name HB1 )) ) 3.300 3.300 0.000 peak 5677 weight 0.10000E+01 volume 0.16030E+01 ppm1 7.744 ppm2 2.121 ASSI ( (( segid " " and resid 1566 and name HN )) )( (( segid " " and resid 1565 and name HA )) ) 2.700 2.700 0.000 peak 5657 weight 0.10000E+01 volume 0.38780E+01 ppm1 8.439 ppm2 4.567 ASSI ( (( segid " " and resid 1566 and name HN )) )( (( segid " " and resid 1566 and name HB )) ) 3.300 3.300 0.000 peak 5663 weight 0.10000E+01 volume 0.20800E+01 ppm1 8.440 ppm2 1.587 ASSI ( (( segid " " and resid 1567 and name HN )) )( (( segid " " and resid 1542 and name HN )) ) 6.000 6.000 0.000 peak 4181 weight 0.10000E+01 volume 0.26000E+00 ppm1 8.583 ppm2 8.076 ASSI ( (( segid " " and resid 1567 and name HN )) )( (( segid " " and resid 1543 and name HA )) ) 5.000 5.000 0.000 peak 4184 weight 0.10000E+01 volume 0.55900E+00 ppm1 8.584 ppm2 5.722 ASSI ( (( segid " " and resid 1567 and name HN )) )( (( segid " " and resid 1566 and name HA )) ) 3.300 3.300 0.000 peak 4187 weight 0.10000E+01 volume 0.24790E+01 ppm1 8.584 ppm2 4.165 ASSI ( (( segid " " and resid 1567 and name HN )) )( (( segid " " and resid 1567 and name HA )) ) 5.000 5.000 0.000 peak 4185 weight 0.10000E+01 volume 0.70800E+00 ppm1 8.583 ppm2 4.790 ASSI ( (( segid " " and resid 1568 and name HN )) )( (( segid " " and resid 1566 and name HA )) ) 5.000 5.000 0.000 peak 5645 weight 0.10000E+01 volume 0.43900E+00 ppm1 7.961 ppm2 4.162 ASSI ( (( segid " " and resid 1568 and name HN )) )( (( segid " " and resid 1567 and name HA )) ) 5.000 5.000 0.000 peak 5643 weight 0.10000E+01 volume 0.55400E+00 ppm1 7.958 ppm2 4.798 ASSI ( (( segid " " and resid 1568 and name HN )) )( (( segid " " and resid 1567 and name HB1 )) ) 6.000 6.000 0.000 peak 5646 weight 0.10000E+01 volume 0.24100E+00 ppm1 7.959 ppm2 3.191 ASSI ( (( segid " " and resid 1568 and name HN )) )( (( segid " " and resid 1567 and name HD2 )) OR (( segid " " and resid 1567 and name HD1 )) ) 5.000 5.000 0.000 peak 4888 weight 0.10000E+01 volume 0.34700E+00 ppm1 7.957 ppm2 6.657 ASSI ( (( segid " " and resid 1568 and name HN )) )( (( segid " " and resid 1568 and name HA )) ) 5.000 5.000 0.000 peak 5644 weight 0.10000E+01 volume 0.95400E+00 ppm1 7.958 ppm2 4.554 ASSI ( (( segid " " and resid 1568 and name HN )) )( (( segid " " and resid 1568 and name HB1 )) ) 5.000 5.000 0.000 peak 5648 weight 0.10000E+01 volume 0.47000E+00 ppm1 7.959 ppm2 1.695 ASSI ( (( segid " " and resid 1568 and name HN )) )( (( segid " " and resid 1568 and name HB2 )) ) 5.000 5.000 0.000 peak 5117 weight 0.10000E+01 volume 0.75600E+00 ppm1 7.959 ppm2 1.548 ASSI ( (( segid " " and resid 1569 and name HN )) )( (( segid " " and resid 1568 and name HA )) ) 2.700 2.700 0.000 peak 5638 weight 0.10000E+01 volume 0.65510E+01 ppm1 8.575 ppm2 4.551 ASSI ( (( segid " " and resid 1569 and name HN )) )( (( segid " " and resid 1568 and name HN )) ) 5.000 5.000 0.000 peak 4885 weight 0.10000E+01 volume 0.30600E+00 ppm1 8.583 ppm2 7.957 ASSI ( (( segid " " and resid 1569 and name HN )) )( (( segid " " and resid 1569 and name HA )) ) 5.000 5.000 0.000 peak 5637 weight 0.10000E+01 volume 0.11410E+01 ppm1 8.576 ppm2 4.810 ASSI ( (( segid " " and resid 1570 and name HN )) )( (( segid " " and resid 1569 and name HA )) ) 2.700 2.700 0.000 peak 5617 weight 0.10000E+01 volume 0.44850E+01 ppm1 8.391 ppm2 4.802 ASSI ( (( segid " " and resid 1570 and name HN )) )( (( segid " " and resid 1569 and name HN )) ) 5.000 5.000 0.000 peak 4883 weight 0.10000E+01 volume 0.55700E+00 ppm1 8.389 ppm2 8.564 ASSI ( (( segid " " and resid 1570 and name HN )) )( (( segid " " and resid 1570 and name HA1 )) ) 3.300 3.300 0.000 peak 5618 weight 0.10000E+01 volume 0.19390E+01 ppm1 8.391 ppm2 4.673 ASSI ( (( segid " " and resid 1570 and name HN )) )( (( segid " " and resid 1570 and name HA2 )) ) 3.300 3.300 0.000 peak 5621 weight 0.10000E+01 volume 0.21960E+01 ppm1 8.391 ppm2 3.842 ASSI ( (( segid " " and resid 1570 and name HN )) )( (( segid " " and resid 1571 and name HN )) ) 5.000 5.000 0.000 peak 4881 weight 0.10000E+01 volume 0.40700E+00 ppm1 8.389 ppm2 10.043 ASSI ( (( segid " " and resid 1570 and name HN )) )( (( segid " " and resid 1572 and name HN )) ) 6.000 6.000 0.000 peak 4884 weight 0.10000E+01 volume 0.23500E+00 ppm1 8.388 ppm2 7.942 ASSI ( (( segid " " and resid 1571 and name HN )) )( (( segid " " and resid 1570 and name HA1 )) ) 5.000 5.000 0.000 peak 5616 weight 0.10000E+01 volume 0.14660E+01 ppm1 10.050 ppm2 4.662 ASSI ( (( segid " " and resid 1571 and name HN )) )( (( segid " " and resid 1570 and name HA2 )) ) 3.300 3.300 0.000 peak 5614 weight 0.10000E+01 volume 0.18490E+01 ppm1 10.051 ppm2 3.850 ASSI ( (( segid " " and resid 1571 and name HN )) )( (( segid " " and resid 1571 and name HG2 )) ) 5.000 5.000 0.000 peak 5612 weight 0.10000E+01 volume 0.41400E+00 ppm1 10.051 ppm2 2.198 ASSI ( (( segid " " and resid 1572 and name HN )) )( (( segid " " and resid 1570 and name HA2 )) ) 5.000 5.000 0.000 peak 5602 weight 0.10000E+01 volume 0.49700E+00 ppm1 7.952 ppm2 3.858 ASSI ( (( segid " " and resid 1572 and name HN )) )( (( segid " " and resid 1571 and name HB2 )) ) 5.000 5.000 0.000 peak 5606 weight 0.10000E+01 volume 0.12980E+01 ppm1 7.954 ppm2 1.828 ASSI ( (( segid " " and resid 1572 and name HN )) )( (( segid " " and resid 1571 and name HG1 )) ) 6.000 6.000 0.000 peak 5604 weight 0.10000E+01 volume 0.26500E+00 ppm1 7.954 ppm2 2.303 ASSI ( (( segid " " and resid 1572 and name HN )) )( (( segid " " and resid 1571 and name HN )) ) 3.300 3.300 0.000 peak 4879 weight 0.10000E+01 volume 0.16890E+01 ppm1 7.950 ppm2 10.039 ASSI ( (( segid " " and resid 1572 and name HN )) )( (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB2 )) OR (( segid " " and resid 1572 and name HB1 )) ) 2.700 2.700 0.000 peak 5608 weight 0.10000E+01 volume 0.37940E+01 ppm1 7.952 ppm2 0.643 ASSI ( (( segid " " and resid 1573 and name HN )) )( (( segid " " and resid 1572 and name HA )) ) 2.700 2.700 0.000 peak 5599 weight 0.10000E+01 volume 0.34010E+01 ppm1 7.017 ppm2 3.626 ASSI ( (( segid " " and resid 1573 and name HN )) )( (( segid " " and resid 1572 and name HB3 )) OR (( segid " " and resid 1572 and name HB2 )) OR (( segid " " and resid 1572 and name HB1 )) ) 5.000 5.000 0.000 peak 5597 weight 0.10000E+01 volume 0.77600E+00 ppm1 7.015 ppm2 0.640 ASSI ( (( segid " " and resid 1573 and name HN )) )( (( segid " " and resid 1573 and name HB )) ) 3.300 3.300 0.000 peak 5598 weight 0.10000E+01 volume 0.16320E+01 ppm1 7.015 ppm2 1.958 ASSI ( (( segid " " and resid 1574 and name HN )) )( (( segid " " and resid 1573 and name HA )) ) 2.700 2.700 0.000 peak 5590 weight 0.10000E+01 volume 0.68030E+01 ppm1 8.145 ppm2 3.752 ASSI ( (( segid " " and resid 1574 and name HN )) )( (( segid " " and resid 1573 and name HB )) ) 5.000 5.000 0.000 peak 5591 weight 0.10000E+01 volume 0.47300E+00 ppm1 8.147 ppm2 1.957 ASSI ( (( segid " " and resid 1574 and name HN )) )( (( segid " " and resid 1573 and name HN )) ) 5.000 5.000 0.000 peak 4875 weight 0.10000E+01 volume 0.36700E+00 ppm1 8.145 ppm2 7.020 ASSI ( (( segid " " and resid 1575 and name HN )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 5.000 5.000 0.000 peak 5567 weight 0.10000E+01 volume 0.77200E+00 ppm1 7.842 ppm2 0.117 ASSI ( (( segid " " and resid 1575 and name HN )) )( (( segid " " and resid 1574 and name HB3 )) OR (( segid " " and resid 1574 and name HB2 )) OR (( segid " " and resid 1574 and name HB1 )) ) 3.300 3.300 0.000 peak 5564 weight 0.10000E+01 volume 0.16150E+01 ppm1 7.844 ppm2 1.072 ASSI ( (( segid " " and resid 1575 and name HN )) )( (( segid " " and resid 1575 and name HB2 )) ) 3.300 3.300 0.000 peak 5563 weight 0.10000E+01 volume 0.19950E+01 ppm1 7.840 ppm2 1.741 ASSI ( (( segid " " and resid 1575 and name HN )) )( (( segid " " and resid 1576 and name HN )) ) 5.000 5.000 0.000 peak 4874 weight 0.10000E+01 volume 0.34700E+00 ppm1 7.841 ppm2 8.899 ASSI ( (( segid " " and resid 1576 and name HN )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) OR (( segid " " and resid 1563 and name HD13)) OR (( segid " " and resid 1563 and name HD12)) OR (( segid " " and resid 1563 and name HD11)) ) 6.000 6.000 0.000 peak 5293 weight 0.10000E+01 volume 0.25600E+00 ppm1 8.888 ppm2 0.126 ASSI ( (( segid " " and resid 1576 and name HN )) )( (( segid " " and resid 1575 and name HA )) ) 2.700 2.700 0.000 peak 5284 weight 0.10000E+01 volume 0.44140E+01 ppm1 8.886 ppm2 4.434 ASSI ( (( segid " " and resid 1576 and name HN )) )( (( segid " " and resid 1575 and name HB1 )) ) 5.000 5.000 0.000 peak 5288 weight 0.10000E+01 volume 0.67900E+00 ppm1 8.889 ppm2 1.905 ASSI ( (( segid " " and resid 1576 and name HN )) )( (( segid " " and resid 1577 and name HN )) ) 6.000 6.000 0.000 peak 4872 weight 0.10000E+01 volume 0.20300E+00 ppm1 8.890 ppm2 9.364 ASSI ( (( segid " " and resid 1577 and name HN )) )( (( segid " " and resid 1576 and name HA )) ) 2.700 2.700 0.000 peak 5549 weight 0.10000E+01 volume 0.40670E+01 ppm1 9.374 ppm2 3.546 ASSI ( (( segid " " and resid 1577 and name HN )) )( (( segid " " and resid 1577 and name HA )) ) 2.700 2.700 0.000 peak 5548 weight 0.10000E+01 volume 0.46650E+01 ppm1 9.375 ppm2 4.156 ASSI ( (( segid " " and resid 1577 and name HN )) )( (( segid " " and resid 1577 and name HB1 )) ) 5.000 5.000 0.000 peak 5550 weight 0.10000E+01 volume 0.69800E+00 ppm1 9.373 ppm2 2.978 ASSI ( (( segid " " and resid 1577 and name HN )) )( (( segid " " and resid 1578 and name HN )) ) 3.300 3.300 0.000 peak 4870 weight 0.10000E+01 volume 0.16380E+01 ppm1 9.376 ppm2 7.673 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1563 and name HD23)) OR (( segid " " and resid 1563 and name HD22)) OR (( segid " " and resid 1563 and name HD21)) ) 5.000 5.000 0.000 peak 5545 weight 0.10000E+01 volume 0.44800E+00 ppm1 7.662 ppm2 0.114 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1576 and name HA )) ) 5.000 5.000 0.000 peak 5538 weight 0.10000E+01 volume 0.10070E+01 ppm1 7.663 ppm2 3.546 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1577 and name HA )) ) 3.300 3.300 0.000 peak 5535 weight 0.10000E+01 volume 0.15600E+01 ppm1 7.666 ppm2 4.158 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1577 and name HB1 )) ) 6.000 6.000 0.000 peak 5539 weight 0.10000E+01 volume 0.21100E+00 ppm1 7.658 ppm2 2.980 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1577 and name HB2 )) ) 5.000 5.000 0.000 peak 5540 weight 0.10000E+01 volume 0.33100E+00 ppm1 7.663 ppm2 2.835 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1578 and name HA )) ) 3.300 3.300 0.000 peak 5534 weight 0.10000E+01 volume 0.16820E+01 ppm1 7.665 ppm2 4.523 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1578 and name HB1 )) ) 5.000 5.000 0.000 peak 5536 weight 0.10000E+01 volume 0.12330E+01 ppm1 7.667 ppm2 3.990 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1578 and name HB2 )) ) 5.000 5.000 0.000 peak 5537 weight 0.10000E+01 volume 0.13950E+01 ppm1 7.664 ppm2 3.812 ASSI ( (( segid " " and resid 1578 and name HN )) )( (( segid " " and resid 1579 and name HN )) ) 5.000 5.000 0.000 peak 4866 weight 0.10000E+01 volume 0.32300E+00 ppm1 7.668 ppm2 8.269 ASSI ( (( segid " " and resid 1579 and name HN )) )( (( segid " " and resid 1578 and name HA )) ) 2.700 2.700 0.000 peak 5531 weight 0.10000E+01 volume 0.57160E+01 ppm1 8.273 ppm2 4.522 ASSI ( (( segid " " and resid 1579 and name HN )) )( (( segid " " and resid 1578 and name HB1 )) ) 3.300 3.300 0.000 peak 5530 weight 0.10000E+01 volume 0.26760E+01 ppm1 8.274 ppm2 3.991 ASSI ( (( segid " " and resid 1579 and name HN )) )( (( segid " " and resid 1578 and name HB2 )) ) 3.300 3.300 0.000 peak 5529 weight 0.10000E+01 volume 0.17290E+01 ppm1 8.274 ppm2 3.813 ASSI ( (( segid " " and resid 1579 and name HN )) )( (( segid " " and resid 1579 and name HG1 )) ) 5.000 5.000 0.000 peak 5528 weight 0.10000E+01 volume 0.44900E+00 ppm1 8.275 ppm2 2.214 ASSI ( (( segid " " and resid 1579 and name HN )) )( (( segid " " and resid 1580 and name HN )) ) 5.000 5.000 0.000 peak 4864 weight 0.10000E+01 volume 0.39400E+00 ppm1 8.275 ppm2 9.361 ASSI ( (( segid " " and resid 1580 and name HN )) )( (( segid " " and resid 1579 and name HA )) ) 2.700 2.700 0.000 peak 5512 weight 0.10000E+01 volume 0.34810E+01 ppm1 9.346 ppm2 5.278 ASSI ( (( segid " " and resid 1580 and name HN )) )( (( segid " " and resid 1579 and name HG1 )) ) 5.000 5.000 0.000 peak 5514 weight 0.10000E+01 volume 0.44000E+00 ppm1 9.349 ppm2 2.215 ASSI ( (( segid " " and resid 1580 and name HN )) )( (( segid " " and resid 1580 and name HA )) ) 5.000 5.000 0.000 peak 5513 weight 0.10000E+01 volume 0.75100E+00 ppm1 9.348 ppm2 4.767 ASSI ( (( segid " " and resid 1580 and name HN )) )( (( segid " " and resid 1580 and name HG12)) ) 5.000 5.000 0.000 peak 5519 weight 0.10000E+01 volume 0.93100E+00 ppm1 9.350 ppm2 0.783 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1580 and name HA )) ) 2.700 2.700 0.000 peak 5500 weight 0.10000E+01 volume 0.31610E+01 ppm1 8.319 ppm2 4.777 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1580 and name HB )) ) 3.300 3.300 0.000 peak 5503 weight 0.10000E+01 volume 0.20210E+01 ppm1 8.319 ppm2 1.689 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1580 and name HN )) ) 5.000 5.000 0.000 peak 4862 weight 0.10000E+01 volume 0.45700E+00 ppm1 8.325 ppm2 9.363 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1581 and name HA )) ) 5.000 5.000 0.000 peak 5499 weight 0.10000E+01 volume 0.66300E+00 ppm1 8.319 ppm2 5.366 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1581 and name HB )) ) 3.300 3.300 0.000 peak 5502 weight 0.10000E+01 volume 0.18710E+01 ppm1 8.318 ppm2 3.946 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1581 and name HG23)) OR (( segid " " and resid 1581 and name HG22)) OR (( segid " " and resid 1581 and name HG21)) ) 5.000 5.000 0.000 peak 5504 weight 0.10000E+01 volume 0.57600E+00 ppm1 8.318 ppm2 1.068 ASSI ( (( segid " " and resid 1581 and name HN )) )( (( segid " " and resid 1619 and name HE2 )) OR (( segid " " and resid 1619 and name HE1 )) ) 6.000 6.000 0.000 peak 5498 weight 0.10000E+01 volume 0.25300E+00 ppm1 8.317 ppm2 6.196 ASSI ( (( segid " " and resid 1582 and name HN )) )( (( segid " " and resid 1581 and name HA )) ) 2.700 2.700 0.000 peak 4200 weight 0.10000E+01 volume 0.46790E+01 ppm1 9.395 ppm2 5.366 ASSI ( (( segid " " and resid 1582 and name HN )) )( (( segid " " and resid 1581 and name HB )) ) 5.000 5.000 0.000 peak 4201 weight 0.10000E+01 volume 0.31500E+00 ppm1 9.395 ppm2 3.946 ASSI ( (( segid " " and resid 1582 and name HN )) )( (( segid " " and resid 1582 and name HB1 )) ) 5.000 5.000 0.000 peak 4202 weight 0.10000E+01 volume 0.96800E+00 ppm1 9.396 ppm2 3.153 ASSI ( (( segid " " and resid 1582 and name HN )) )( (( segid " " and resid 1582 and name HB2 )) ) 5.000 5.000 0.000 peak 4203 weight 0.10000E+01 volume 0.12580E+01 ppm1 9.395 ppm2 3.015 ASSI ( (( segid " " and resid 1582 and name HN )) )( (( segid " " and resid 1583 and name HN )) ) 6.000 6.000 0.000 peak 4196 weight 0.10000E+01 volume 0.23700E+00 ppm1 9.404 ppm2 8.608 ASSI ( (( segid " " and resid 1583 and name HN )) )( (( segid " " and resid 1582 and name HA )) ) 3.300 3.300 0.000 peak 4861 weight 0.10000E+01 volume 0.15740E+01 ppm1 8.600 ppm2 5.964 ASSI ( (( segid " " and resid 1583 and name HN )) )( (( segid " " and resid 1582 and name HB1 )) ) 5.000 5.000 0.000 peak 5491 weight 0.10000E+01 volume 0.45800E+00 ppm1 8.601 ppm2 3.160 ASSI ( (( segid " " and resid 1583 and name HN )) )( (( segid " " and resid 1582 and name HB2 )) ) 6.000 6.000 0.000 peak 5492 weight 0.10000E+01 volume 0.29200E+00 ppm1 8.596 ppm2 3.014 ASSI ( (( segid " " and resid 1583 and name HN )) )( (( segid " " and resid 1582 and name HD2 )) OR (( segid " " and resid 1582 and name HD1 )) ) 5.000 5.000 0.000 peak 4860 weight 0.10000E+01 volume 0.35600E+00 ppm1 8.601 ppm2 7.143 ASSI ( (( segid " " and resid 1583 and name HN )) )( (( segid " " and resid 1583 and name HA )) ) 5.000 5.000 0.000 peak 5489 weight 0.10000E+01 volume 0.48700E+00 ppm1 8.600 ppm2 5.766 ASSI ( (( segid " " and resid 1583 and name HN )) )( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 3.300 3.300 0.000 peak 5495 weight 0.10000E+01 volume 0.15380E+01 ppm1 8.599 ppm2 0.684 ASSI ( (( segid " " and resid 1584 and name HN )) )( (( segid " " and resid 1583 and name HA )) ) 3.300 3.300 0.000 peak 5480 weight 0.10000E+01 volume 0.19820E+01 ppm1 9.057 ppm2 5.766 ASSI ( (( segid " " and resid 1584 and name HN )) )( (( segid " " and resid 1583 and name HG12)) ) 5.000 5.000 0.000 peak 5486 weight 0.10000E+01 volume 0.47700E+00 ppm1 9.060 ppm2 0.831 ASSI ( (( segid " " and resid 1584 and name HN )) )( (( segid " " and resid 1583 and name HG23)) OR (( segid " " and resid 1583 and name HG22)) OR (( segid " " and resid 1583 and name HG21)) ) 5.000 5.000 0.000 peak 5487 weight 0.10000E+01 volume 0.45100E+00 ppm1 9.057 ppm2 0.683 ASSI ( (( segid " " and resid 1584 and name HN )) )( (( segid " " and resid 1584 and name HA )) ) 5.000 5.000 0.000 peak 5481 weight 0.10000E+01 volume 0.59500E+00 ppm1 9.057 ppm2 5.146 ASSI ( (( segid " " and resid 1584 and name HN )) )( (( segid " " and resid 1584 and name HB2 )) OR (( segid " " and resid 1584 and name HB1 )) ) 5.000 5.000 0.000 peak 5482 weight 0.10000E+01 volume 0.80200E+00 ppm1 9.057 ppm2 2.036 ASSI ( (( segid " " and resid 1585 and name HN )) )( (( segid " " and resid 1584 and name HA )) ) 3.300 3.300 0.000 peak 2264 weight 0.10000E+01 volume 0.25850E+01 ppm1 8.955 ppm2 5.144 ASSI ( (( segid " " and resid 1585 and name HN )) )( (( segid " " and resid 1585 and name HA )) ) 5.000 5.000 0.000 peak 5280 weight 0.10000E+01 volume 0.56300E+00 ppm1 8.960 ppm2 4.654 ASSI ( (( segid " " and resid 1585 and name HN )) )( (( segid " " and resid 1585 and name HE2 )) OR (( segid " " and resid 1585 and name HE1 )) ) 5.000 5.000 0.000 peak 5281 weight 0.10000E+01 volume 0.44200E+00 ppm1 8.956 ppm2 2.995 ASSI ( (( segid " " and resid 1586 and name HN )) )( (( segid " " and resid 1556 and name HA )) ) 5.000 5.000 0.000 peak 2402 weight 0.10000E+01 volume 0.98200E+00 ppm1 8.455 ppm2 5.423 ASSI ( (( segid " " and resid 1586 and name HN )) )( (( segid " " and resid 1586 and name HA )) ) 5.000 5.000 0.000 peak 2400 weight 0.10000E+01 volume 0.10610E+01 ppm1 8.459 ppm2 3.783 ASSI ( (( segid " " and resid 1586 and name HN )) )( (( segid " " and resid 1587 and name HN )) ) 5.000 5.000 0.000 peak 2403 weight 0.10000E+01 volume 0.69600E+00 ppm1 8.454 ppm2 7.115 ASSI ( (( segid " " and resid 1586 and name HN )) )( (( segid " " and resid 1588 and name HN )) ) 6.000 6.000 0.000 peak 2404 weight 0.10000E+01 volume 0.80000E-02 ppm1 8.450 ppm2 7.720 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1585 and name HB2 )) OR (( segid " " and resid 1585 and name HB1 )) ) 3.300 3.300 0.000 peak 5472 weight 0.10000E+01 volume -0.22390E+01 ppm1 7.105 ppm2 2.020 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) ) 3.300 3.300 0.000 peak 5476 weight 0.10000E+01 volume -0.17160E+01 ppm1 7.105 ppm2 0.880 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1587 and name HA )) ) 3.300 3.300 0.000 peak 5468 weight 0.10000E+01 volume -0.17600E+01 ppm1 7.104 ppm2 4.086 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1587 and name HB )) ) 5.000 5.000 0.000 peak 5467 weight 0.10000E+01 volume -0.68700E+00 ppm1 7.108 ppm2 4.412 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1587 and name HG23)) OR (( segid " " and resid 1587 and name HG22)) OR (( segid " " and resid 1587 and name HG21)) ) 3.300 3.300 0.000 peak 5475 weight 0.10000E+01 volume -0.23720E+01 ppm1 7.105 ppm2 1.237 ASSI ( (( segid " " and resid 1587 and name HN )) )( (( segid " " and resid 1588 and name HN )) ) 3.300 3.300 0.000 peak 4854 weight 0.10000E+01 volume -0.17680E+01 ppm1 7.105 ppm2 7.727 ASSI ( (( segid " " and resid 1588 and name HN )) )( (( segid " " and resid 1586 and name HA )) ) 5.000 5.000 0.000 peak 5456 weight 0.10000E+01 volume 0.39300E+00 ppm1 7.733 ppm2 3.783 ASSI ( (( segid " " and resid 1588 and name HN )) )( (( segid " " and resid 1586 and name HG23)) OR (( segid " " and resid 1586 and name HG22)) OR (( segid " " and resid 1586 and name HG21)) OR (( segid " " and resid 1586 and name HG13)) OR (( segid " " and resid 1586 and name HG12)) OR (( segid " " and resid 1586 and name HG11)) ) 5.000 5.000 0.000 peak 5462 weight 0.10000E+01 volume 0.41400E+00 ppm1 7.729 ppm2 0.879 ASSI ( (( segid " " and resid 1588 and name HN )) )( (( segid " " and resid 1587 and name HB )) ) 5.000 5.000 0.000 peak 5454 weight 0.10000E+01 volume 0.42700E+00 ppm1 7.729 ppm2 4.413 ASSI ( (( segid " " and resid 1588 and name HN )) )( (( segid " " and resid 1587 and name HG23)) OR (( segid " " and resid 1587 and name HG22)) OR (( segid " " and resid 1587 and name HG21)) ) 5.000 5.000 0.000 peak 5461 weight 0.10000E+01 volume 0.51000E+00 ppm1 7.732 ppm2 1.236 ASSI ( (( segid " " and resid 1588 and name HN )) )( (( segid " " and resid 1588 and name HA )) ) 3.300 3.300 0.000 peak 5453 weight 0.10000E+01 volume 0.16050E+01 ppm1 7.733 ppm2 5.145 ASSI ( (( segid " " and resid 1588 and name HN )) )( (( segid " " and resid 1588 and name HB1 )) ) 3.300 3.300 0.000 peak 5457 weight 0.10000E+01 volume 0.16450E+01 ppm1 7.734 ppm2 3.546 ASSI ( (( segid " " and resid 1588 and name HN )) )( (( segid " " and resid 1588 and name HB2 )) ) 3.300 3.300 0.000 peak 5458 weight 0.10000E+01 volume 0.25740E+01 ppm1 7.733 ppm2 3.002 ASSI ( (( segid " " and resid 1588 and name HN )) )( (( segid " " and resid 1589 and name HN )) ) 5.000 5.000 0.000 peak 4851 weight 0.10000E+01 volume 0.33800E+00 ppm1 7.730 ppm2 8.026 ASSI ( (( segid " " and resid 1589 and name HN )) )( (( segid " " and resid 1588 and name HA )) ) 3.300 3.300 0.000 peak 5447 weight 0.10000E+01 volume 0.20420E+01 ppm1 8.030 ppm2 5.145 ASSI ( (( segid " " and resid 1589 and name HN )) )( (( segid " " and resid 1588 and name HB1 )) ) 6.000 6.000 0.000 peak 5450 weight 0.10000E+01 volume 0.20600E+00 ppm1 8.030 ppm2 3.546 ASSI ( (( segid " " and resid 1589 and name HN )) )( (( segid " " and resid 1588 and name HB2 )) ) 6.000 6.000 0.000 peak 5451 weight 0.10000E+01 volume 0.29700E+00 ppm1 8.030 ppm2 2.998 ASSI ( (( segid " " and resid 1589 and name HN )) )( (( segid " " and resid 1589 and name HA )) ) 5.000 5.000 0.000 peak 5449 weight 0.10000E+01 volume 0.57900E+00 ppm1 8.030 ppm2 4.235 ASSI ( (( segid " " and resid 1589 and name HN )) )( (( segid " " and resid 1589 and name HB )) ) 5.000 5.000 0.000 peak 5448 weight 0.10000E+01 volume 0.31600E+00 ppm1 8.030 ppm2 4.434 ASSI ( (( segid " " and resid 1589 and name HN )) )( (( segid " " and resid 1589 and name HG23)) OR (( segid " " and resid 1589 and name HG22)) OR (( segid " " and resid 1589 and name HG21)) ) 5.000 5.000 0.000 peak 5452 weight 0.10000E+01 volume 0.10960E+01 ppm1 8.030 ppm2 1.193 ASSI ( (( segid " " and resid 1590 and name HN )) )( (( segid " " and resid 1588 and name HA )) ) 5.000 5.000 0.000 peak 5441 weight 0.10000E+01 volume 0.39600E+00 ppm1 8.621 ppm2 5.145 ASSI ( (( segid " " and resid 1590 and name HN )) )( (( segid " " and resid 1589 and name HB )) ) 5.000 5.000 0.000 peak 5443 weight 0.10000E+01 volume 0.54300E+00 ppm1 8.620 ppm2 4.434 ASSI ( (( segid " " and resid 1590 and name HN )) )( (( segid " " and resid 1590 and name HA )) ) 5.000 5.000 0.000 peak 5442 weight 0.10000E+01 volume 0.88400E+00 ppm1 8.625 ppm2 4.823 ASSI ( (( segid " " and resid 1590 and name HN )) )( (( segid " " and resid 1590 and name HB1 )) ) 5.000 5.000 0.000 peak 5445 weight 0.10000E+01 volume 0.66200E+00 ppm1 8.624 ppm2 2.991 ASSI ( (( segid " " and resid 1590 and name HN )) )( (( segid " " and resid 1590 and name HB2 )) ) 5.000 5.000 0.000 peak 5446 weight 0.10000E+01 volume 0.14060E+01 ppm1 8.623 ppm2 2.714 ASSI ( (( segid " " and resid 1590 and name HN )) )( (( segid " " and resid 1591 and name HN )) ) 5.000 5.000 0.000 peak 4847 weight 0.10000E+01 volume 0.53900E+00 ppm1 8.622 ppm2 7.524 ASSI ( (( segid " " and resid 1590 and name HD21)) )( (( segid " " and resid 1590 and name HA )) ) 6.000 6.000 0.000 peak 4770 weight 0.10000E+01 volume 0.12700E+00 ppm1 7.607 ppm2 4.834 ASSI ( (( segid " " and resid 1590 and name HD22)) )( (( segid " " and resid 1590 and name HA )) ) 6.000 6.000 0.000 peak 4767 weight 0.10000E+01 volume 0.17700E+00 ppm1 6.895 ppm2 4.834 ASSI ( (( segid " " and resid 1590 and name HD21)) )( (( segid " " and resid 1590 and name HB1 )) ) 5.000 5.000 0.000 peak 4775 weight 0.10000E+01 volume 0.45900E+00 ppm1 7.607 ppm2 2.984 ASSI ( (( segid " " and resid 1590 and name HD22)) )( (( segid " " and resid 1590 and name HB1 )) ) 6.000 6.000 0.000 peak 4773 weight 0.10000E+01 volume 0.26300E+00 ppm1 6.895 ppm2 2.981 ASSI ( (( segid " " and resid 1590 and name HD21)) )( (( segid " " and resid 1590 and name HB2 )) ) 5.000 5.000 0.000 peak 4776 weight 0.10000E+01 volume 0.87300E+00 ppm1 7.609 ppm2 2.721 ASSI ( (( segid " " and resid 1590 and name HD22)) )( (( segid " " and resid 1590 and name HB2 )) ) 5.000 5.000 0.000 peak 4774 weight 0.10000E+01 volume 0.61700E+00 ppm1 6.895 ppm2 2.728 ASSI ( (( segid " " and resid 1590 and name HD22)) )( (( segid " " and resid 1590 and name HD21)) ) 2.700 2.700 0.000 peak 4765 weight 0.10000E+01 volume 0.18196E+02 ppm1 6.895 ppm2 7.608 ASSI ( (( segid " " and resid 1591 and name HN )) )( (( segid " " and resid 1590 and name HA )) ) 5.000 5.000 0.000 peak 5435 weight 0.10000E+01 volume 0.36400E+00 ppm1 7.521 ppm2 4.834 ASSI ( (( segid " " and resid 1591 and name HN )) )( (( segid " " and resid 1590 and name HB1 )) ) 6.000 6.000 0.000 peak 5437 weight 0.10000E+01 volume 0.29700E+00 ppm1 7.524 ppm2 2.969 ASSI ( (( segid " " and resid 1591 and name HN )) )( (( segid " " and resid 1590 and name HB2 )) ) 6.000 6.000 0.000 peak 5438 weight 0.10000E+01 volume 0.28900E+00 ppm1 7.525 ppm2 2.703 ASSI ( (( segid " " and resid 1591 and name HN )) )( (( segid " " and resid 1591 and name HA )) ) 5.000 5.000 0.000 peak 5436 weight 0.10000E+01 volume 0.86100E+00 ppm1 7.522 ppm2 4.212 ASSI ( (( segid " " and resid 1591 and name HN )) )( (( segid " " and resid 1591 and name HB3 )) OR (( segid " " and resid 1591 and name HB2 )) OR (( segid " " and resid 1591 and name HB1 )) ) 5.000 5.000 0.000 peak 5439 weight 0.10000E+01 volume 0.11510E+01 ppm1 7.523 ppm2 0.902 ASSI ( (( segid " " and resid 1592 and name HN )) )( (( segid " " and resid 1517 and name HG2 )) OR (( segid " " and resid 1517 and name HG1 )) ) 5.000 5.000 0.000 peak 5432 weight 0.10000E+01 volume 0.38300E+00 ppm1 7.949 ppm2 2.525 ASSI ( (( segid " " and resid 1592 and name HN )) )( (( segid " " and resid 1591 and name HA )) ) 2.700 2.700 0.000 peak 5431 weight 0.10000E+01 volume 0.39520E+01 ppm1 7.945 ppm2 4.208 ASSI ( (( segid " " and resid 1592 and name HN )) )( (( segid " " and resid 1591 and name HN )) ) 5.000 5.000 0.000 peak 4844 weight 0.10000E+01 volume 0.67700E+00 ppm1 7.943 ppm2 7.522 ASSI ( (( segid " " and resid 1592 and name HN )) )( (( segid " " and resid 1592 and name HA )) ) 3.300 3.300 0.000 peak 5429 weight 0.10000E+01 volume 0.17210E+01 ppm1 7.945 ppm2 4.304 ASSI ( (( segid " " and resid 1592 and name HN )) )( (( segid " " and resid 1593 and name HN )) ) 5.000 5.000 0.000 peak 4843 weight 0.10000E+01 volume 0.30100E+00 ppm1 7.943 ppm2 6.477 ASSI ( (( segid " " and resid 1593 and name HN )) )( (( segid " " and resid 1592 and name HA )) ) 2.700 2.700 0.000 peak 5417 weight 0.10000E+01 volume 0.37130E+01 ppm1 6.471 ppm2 4.312 ASSI ( (( segid " " and resid 1593 and name HN )) )( (( segid " " and resid 1592 and name HB1 )) ) 5.000 5.000 0.000 peak 5420 weight 0.10000E+01 volume 0.30600E+00 ppm1 6.467 ppm2 1.902 ASSI ( (( segid " " and resid 1593 and name HN )) )( (( segid " " and resid 1592 and name HB2 )) ) 5.000 5.000 0.000 peak 5421 weight 0.10000E+01 volume 0.38900E+00 ppm1 6.475 ppm2 1.770 ASSI ( (( segid " " and resid 1593 and name HN )) )( (( segid " " and resid 1592 and name HG2 )) OR (( segid " " and resid 1592 and name HG1 )) ) 5.000 5.000 0.000 peak 5419 weight 0.10000E+01 volume 0.35700E+00 ppm1 6.468 ppm2 2.081 ASSI ( (( segid " " and resid 1593 and name HN )) )( (( segid " " and resid 1593 and name HA )) ) 5.000 5.000 0.000 peak 5418 weight 0.10000E+01 volume 0.73900E+00 ppm1 6.473 ppm2 3.945 ASSI ( (( segid " " and resid 1593 and name HN )) )( (( segid " " and resid 1593 and name HB1 )) ) 5.000 5.000 0.000 peak 5422 weight 0.10000E+01 volume 0.11140E+01 ppm1 6.470 ppm2 0.811 ASSI ( (( segid " " and resid 1593 and name HN )) )( (( segid " " and resid 1593 and name HD13)) OR (( segid " " and resid 1593 and name HD12)) OR (( segid " " and resid 1593 and name HD11)) ) 5.000 5.000 0.000 peak 5424 weight 0.10000E+01 volume 0.58700E+00 ppm1 6.469 ppm2 -0.278 ASSI ( (( segid " " and resid 1593 and name HN )) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 5.000 5.000 0.000 peak 5425 weight 0.10000E+01 volume 0.51400E+00 ppm1 6.469 ppm2 -0.450 ASSI ( (( segid " " and resid 1593 and name HN )) )( (( segid " " and resid 1593 and name HG )) ) 3.300 3.300 0.000 peak 5423 weight 0.10000E+01 volume 0.19400E+01 ppm1 6.470 ppm2 0.482 ASSI ( (( segid " " and resid 1594 and name HN )) )( (( segid " " and resid 1593 and name HA )) ) 3.300 3.300 0.000 peak 5406 weight 0.10000E+01 volume 0.24060E+01 ppm1 7.907 ppm2 3.946 ASSI ( (( segid " " and resid 1594 and name HN )) )( (( segid " " and resid 1593 and name HD23)) OR (( segid " " and resid 1593 and name HD22)) OR (( segid " " and resid 1593 and name HD21)) ) 5.000 5.000 0.000 peak 5413 weight 0.10000E+01 volume 0.34700E+00 ppm1 7.910 ppm2 -0.450 ASSI ( (( segid " " and resid 1594 and name HN )) )( (( segid " " and resid 1594 and name HB )) ) 3.300 3.300 0.000 peak 5409 weight 0.10000E+01 volume 0.15780E+01 ppm1 7.906 ppm2 1.770 ASSI ( (( segid " " and resid 1594 and name HN )) )( (( segid " " and resid 1594 and name HG13)) OR (( segid " " and resid 1594 and name HG12)) OR (( segid " " and resid 1594 and name HG11)) ) 3.300 3.300 0.000 peak 5411 weight 0.10000E+01 volume 0.18990E+01 ppm1 7.907 ppm2 0.859 ASSI ( (( segid " " and resid 1595 and name HN )) )( (( segid " " and resid 1594 and name HA )) ) 2.700 2.700 0.000 peak 5398 weight 0.10000E+01 volume 0.39610E+01 ppm1 8.541 ppm2 4.035 ASSI ( (( segid " " and resid 1595 and name HN )) )( (( segid " " and resid 1594 and name HG23)) OR (( segid " " and resid 1594 and name HG22)) OR (( segid " " and resid 1594 and name HG21)) ) 3.300 3.300 0.000 peak 5403 weight 0.10000E+01 volume 0.18880E+01 ppm1 8.541 ppm2 0.970 ASSI ( (( segid " " and resid 1595 and name HN )) )( (( segid " " and resid 1595 and name HB1 )) ) 3.300 3.300 0.000 peak 5400 weight 0.10000E+01 volume 0.18960E+01 ppm1 8.540 ppm2 1.814 ASSI ( (( segid " " and resid 1595 and name HN )) )( (( segid " " and resid 1595 and name HB2 )) ) 3.300 3.300 0.000 peak 5401 weight 0.10000E+01 volume 0.25040E+01 ppm1 8.541 ppm2 1.680 ASSI ( (( segid " " and resid 1595 and name HN )) )( (( segid " " and resid 1596 and name HN )) ) 6.000 6.000 0.000 peak 4839 weight 0.10000E+01 volume 0.26600E+00 ppm1 8.540 ppm2 9.168 ASSI ( (( segid " " and resid 1596 and name HN )) )( (( segid " " and resid 1595 and name HA )) ) 2.700 2.700 0.000 peak 5388 weight 0.10000E+01 volume 0.32920E+01 ppm1 9.164 ppm2 3.707 ASSI ( (( segid " " and resid 1596 and name HN )) )( (( segid " " and resid 1595 and name HB1 )) ) 5.000 5.000 0.000 peak 5390 weight 0.10000E+01 volume 0.43600E+00 ppm1 9.162 ppm2 1.814 ASSI ( (( segid " " and resid 1596 and name HN )) )( (( segid " " and resid 1595 and name HB2 )) ) 5.000 5.000 0.000 peak 5391 weight 0.10000E+01 volume 0.60600E+00 ppm1 9.165 ppm2 1.681 ASSI ( (( segid " " and resid 1596 and name HN )) )( (( segid " " and resid 1596 and name HA2 )) ) 3.300 3.300 0.000 peak 5387 weight 0.10000E+01 volume 0.22040E+01 ppm1 9.165 ppm2 3.821 ASSI ( (( segid " " and resid 1596 and name HN )) )( (( segid " " and resid 1597 and name HN )) ) 5.000 5.000 0.000 peak 4837 weight 0.10000E+01 volume 0.10960E+01 ppm1 9.165 ppm2 8.031 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1547 and name HB )) ) 5.000 5.000 0.000 peak 5374 weight 0.10000E+01 volume 0.81400E+00 ppm1 8.035 ppm2 2.840 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1594 and name HG23)) OR (( segid " " and resid 1594 and name HG22)) OR (( segid " " and resid 1594 and name HG21)) ) 5.000 5.000 0.000 peak 5381 weight 0.10000E+01 volume 0.73000E+00 ppm1 8.035 ppm2 0.980 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1595 and name HA )) ) 5.000 5.000 0.000 peak 5373 weight 0.10000E+01 volume 0.75100E+00 ppm1 8.034 ppm2 3.716 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1596 and name HA1 )) ) 5.000 5.000 0.000 peak 5371 weight 0.10000E+01 volume 0.57600E+00 ppm1 8.035 ppm2 4.390 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1597 and name HA )) ) 5.000 5.000 0.000 peak 5370 weight 0.10000E+01 volume 0.12460E+01 ppm1 8.034 ppm2 4.578 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1597 and name HB1 )) ) 3.300 3.300 0.000 peak 5376 weight 0.10000E+01 volume 0.21300E+01 ppm1 8.034 ppm2 2.229 ASSI ( (( segid " " and resid 1597 and name HN )) )( (( segid " " and resid 1597 and name HG1 )) ) 5.000 5.000 0.000 peak 5377 weight 0.10000E+01 volume 0.12490E+01 ppm1 8.036 ppm2 1.763 ASSI ( (( segid " " and resid 1598 and name HN )) )( (( segid " " and resid 1597 and name HA )) ) 2.700 2.700 0.000 peak 5357 weight 0.10000E+01 volume 0.39210E+01 ppm1 8.488 ppm2 4.575 ASSI ( (( segid " " and resid 1598 and name HN )) )( (( segid " " and resid 1597 and name HG1 )) ) 3.300 3.300 0.000 peak 5363 weight 0.10000E+01 volume 0.17860E+01 ppm1 8.488 ppm2 1.592 ASSI ( (( segid " " and resid 1598 and name HN )) )( (( segid " " and resid 1598 and name HA )) ) 5.000 5.000 0.000 peak 5356 weight 0.10000E+01 volume 0.62600E+00 ppm1 8.488 ppm2 5.766 ASSI ( (( segid " " and resid 1598 and name HN )) )( (( segid " " and resid 1599 and name HN )) ) 6.000 6.000 0.000 peak 4829 weight 0.10000E+01 volume 0.22200E+00 ppm1 8.490 ppm2 8.786 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1598 and name HA )) ) 2.700 2.700 0.000 peak 4213 weight 0.10000E+01 volume 0.33320E+01 ppm1 8.789 ppm2 5.752 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1598 and name HG2 )) ) 6.000 6.000 0.000 peak 4221 weight 0.10000E+01 volume 0.24400E+00 ppm1 8.793 ppm2 1.958 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1599 and name HB1 )) ) 5.000 5.000 0.000 peak 4218 weight 0.10000E+01 volume 0.55800E+00 ppm1 8.788 ppm2 2.873 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1599 and name HB2 )) ) 5.000 5.000 0.000 peak 4220 weight 0.10000E+01 volume 0.89300E+00 ppm1 8.790 ppm2 2.214 ASSI ( (( segid " " and resid 1599 and name HN )) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 4211 weight 0.10000E+01 volume 0.10080E+01 ppm1 8.790 ppm2 6.743 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1599 and name HA )) ) 3.300 3.300 0.000 peak 4828 weight 0.10000E+01 volume 0.21270E+01 ppm1 9.886 ppm2 5.496 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1599 and name HD2 )) OR (( segid " " and resid 1599 and name HD1 )) ) 5.000 5.000 0.000 peak 4826 weight 0.10000E+01 volume 0.41800E+00 ppm1 9.888 ppm2 6.743 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1600 and name HA )) ) 5.000 5.000 0.000 peak 4827 weight 0.10000E+01 volume 0.56900E+00 ppm1 9.885 ppm2 5.633 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) ) 5.000 5.000 0.000 peak 5349 weight 0.10000E+01 volume 0.39500E+00 ppm1 9.884 ppm2 0.725 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1600 and name HG )) ) 6.000 6.000 0.000 peak 5348 weight 0.10000E+01 volume 0.27000E+00 ppm1 9.885 ppm2 1.637 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1628 and name HN )) ) 5.000 5.000 0.000 peak 4821 weight 0.10000E+01 volume 0.41000E+00 ppm1 9.889 ppm2 9.229 ASSI ( (( segid " " and resid 1600 and name HN )) )( (( segid " " and resid 1630 and name HE3 )) ) 6.000 6.000 0.000 peak 4825 weight 0.10000E+01 volume 0.28500E+00 ppm1 9.886 ppm2 7.495 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1600 and name HD13)) OR (( segid " " and resid 1600 and name HD12)) OR (( segid " " and resid 1600 and name HD11)) ) 5.000 5.000 0.000 peak 5331 weight 0.10000E+01 volume 0.31600E+00 ppm1 9.414 ppm2 0.706 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1600 and name HD23)) OR (( segid " " and resid 1600 and name HD22)) OR (( segid " " and resid 1600 and name HD21)) ) 3.300 3.300 0.000 peak 5328 weight 0.10000E+01 volume 0.16570E+01 ppm1 9.414 ppm2 1.271 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1600 and name HN )) ) 6.000 6.000 0.000 peak 4823 weight 0.10000E+01 volume 0.11700E+00 ppm1 9.415 ppm2 9.896 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1601 and name HD13)) OR (( segid " " and resid 1601 and name HD12)) OR (( segid " " and resid 1601 and name HD11)) ) 6.000 6.000 0.000 peak 5332 weight 0.10000E+01 volume 0.13400E+00 ppm1 9.413 ppm2 -0.050 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1601 and name HG12)) ) 5.000 5.000 0.000 peak 5329 weight 0.10000E+01 volume 0.39400E+00 ppm1 9.409 ppm2 0.998 ASSI ( (( segid " " and resid 1601 and name HN )) )( (( segid " " and resid 1601 and name HG23)) OR (( segid " " and resid 1601 and name HG22)) OR (( segid " " and resid 1601 and name HG21)) ) 5.000 5.000 0.000 peak 5330 weight 0.10000E+01 volume 0.57900E+00 ppm1 9.412 ppm2 0.868 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1601 and name HA )) ) 3.300 3.300 0.000 peak 4806 weight 0.10000E+01 volume 0.29100E+01 ppm1 8.985 ppm2 5.731 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1602 and name HA )) ) 5.000 5.000 0.000 peak 4809 weight 0.10000E+01 volume 0.36600E+00 ppm1 8.991 ppm2 5.010 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) ) 5.000 5.000 0.000 peak 4813 weight 0.10000E+01 volume 0.70400E+00 ppm1 8.987 ppm2 2.115 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1602 and name HE3 )) OR (( segid " " and resid 1602 and name HE2 )) OR (( segid " " and resid 1602 and name HE1 )) ) 5.000 5.000 0.000 peak 4817 weight 0.10000E+01 volume 0.38300E+00 ppm1 8.981 ppm2 0.970 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1602 and name HG1 )) ) 5.000 5.000 0.000 peak 4812 weight 0.10000E+01 volume 0.38100E+00 ppm1 8.991 ppm2 2.433 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1603 and name HN )) ) 5.000 5.000 0.000 peak 4807 weight 0.10000E+01 volume 0.38800E+00 ppm1 8.985 ppm2 5.624 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1626 and name HN )) ) 5.000 5.000 0.000 peak 4805 weight 0.10000E+01 volume 0.58100E+00 ppm1 8.986 ppm2 9.647 ASSI ( (( segid " " and resid 1602 and name HN )) )( (( segid " " and resid 1627 and name HA )) ) 5.000 5.000 0.000 peak 4808 weight 0.10000E+01 volume 0.31500E+00 ppm1 8.986 ppm2 4.878 ASSI ( (( segid " " and resid 1603 and name HN )) )( (( segid " " and resid 1542 and name HA )) ) 6.000 6.000 0.000 peak 4804 weight 0.10000E+01 volume -0.22700E+00 ppm1 5.607 ppm2 5.100 ASSI ( (( segid " " and resid 1603 and name HN )) )( (( segid " " and resid 1602 and name HB2 )) OR (( segid " " and resid 1602 and name HB1 )) ) 5.000 5.000 0.000 peak 4801 weight 0.10000E+01 volume -0.36800E+00 ppm1 5.614 ppm2 2.111 ASSI ( (( segid " " and resid 1603 and name HN )) )( (( segid " " and resid 1603 and name HA1 )) ) 5.000 5.000 0.000 peak 4799 weight 0.10000E+01 volume -0.40900E+00 ppm1 5.607 ppm2 4.523 ASSI ( (( segid " " and resid 1603 and name HN )) )( (( segid " " and resid 1603 and name HA2 )) ) 5.000 5.000 0.000 peak 4800 weight 0.10000E+01 volume -0.63800E+00 ppm1 5.607 ppm2 3.912 ASSI ( (( segid " " and resid 1604 and name HN )) )( (( segid " " and resid 1603 and name HA1 )) ) 5.000 5.000 0.000 peak 2456 weight 0.10000E+01 volume 0.12920E+01 ppm1 8.603 ppm2 4.523 ASSI ( (( segid " " and resid 1604 and name HN )) )( (( segid " " and resid 1604 and name HB2 )) OR (( segid " " and resid 1604 and name HB1 )) ) 3.300 3.300 0.000 peak 2457 weight 0.10000E+01 volume 0.16620E+01 ppm1 8.603 ppm2 1.959 ASSI ( (( segid " " and resid 1605 and name HN )) )( (( segid " " and resid 1540 and name HB3 )) OR (( segid " " and resid 1540 and name HB2 )) OR (( segid " " and resid 1540 and name HB1 )) ) 3.300 3.300 0.000 peak 2454 weight 0.10000E+01 volume 0.18920E+01 ppm1 8.292 ppm2 1.625 ASSI ( (( segid " " and resid 1605 and name HN )) )( (( segid " " and resid 1604 and name HA )) ) 3.300 3.300 0.000 peak 2445 weight 0.10000E+01 volume 0.25790E+01 ppm1 8.295 ppm2 4.657 ASSI ( (( segid " " and resid 1605 and name HN )) )( (( segid " " and resid 1604 and name HN )) ) 5.000 5.000 0.000 peak 2447 weight 0.10000E+01 volume 0.37300E+00 ppm1 8.288 ppm2 8.609 ASSI ( (( segid " " and resid 1605 and name HN )) )( (( segid " " and resid 1605 and name HA )) ) 3.300 3.300 0.000 peak 2444 weight 0.10000E+01 volume 0.16300E+01 ppm1 8.297 ppm2 3.990 ASSI ( (( segid " " and resid 1605 and name HN )) )( (( segid " " and resid 1605 and name HG1 )) ) 5.000 5.000 0.000 peak 2449 weight 0.10000E+01 volume 0.44400E+00 ppm1 8.292 ppm2 2.570 ASSI ( (( segid " " and resid 1605 and name HN )) )( (( segid " " and resid 1606 and name HN )) ) 5.000 5.000 0.000 peak 2406 weight 0.10000E+01 volume 0.31000E+00 ppm1 8.288 ppm2 7.544 ASSI ( (( segid " " and resid 1606 and name HN )) )( (( segid " " and resid 1605 and name HA )) ) 2.700 2.700 0.000 peak 2433 weight 0.10000E+01 volume 0.34240E+01 ppm1 7.558 ppm2 3.990 ASSI ( (( segid " " and resid 1606 and name HN )) )( (( segid " " and resid 1605 and name HB1 )) ) 5.000 5.000 0.000 peak 2430 weight 0.10000E+01 volume 0.38500E+00 ppm1 7.564 ppm2 2.037 ASSI ( (( segid " " and resid 1606 and name HN )) )( (( segid " " and resid 1605 and name HG1 )) ) 5.000 5.000 0.000 peak 2432 weight 0.10000E+01 volume 0.44300E+00 ppm1 7.559 ppm2 2.569 ASSI ( (( segid " " and resid 1606 and name HN )) )( (( segid " " and resid 1605 and name HG2 )) ) 6.000 6.000 0.000 peak 2431 weight 0.10000E+01 volume 0.24800E+00 ppm1 7.556 ppm2 2.367 ASSI ( (( segid " " and resid 1606 and name HN )) )( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) ) 3.300 3.300 0.000 peak 2426 weight 0.10000E+01 volume 0.16380E+01 ppm1 7.557 ppm2 0.481 ASSI ( (( segid " " and resid 1606 and name HN )) )( (( segid " " and resid 1607 and name HN )) ) 6.000 6.000 0.000 peak 2435 weight 0.10000E+01 volume 0.18100E+00 ppm1 7.563 ppm2 8.743 ASSI ( (( segid " " and resid 1607 and name HN )) )( (( segid " " and resid 1606 and name HA )) ) 2.700 2.700 0.000 peak 2417 weight 0.10000E+01 volume 0.32780E+01 ppm1 8.755 ppm2 4.015 ASSI ( (( segid " " and resid 1607 and name HN )) )( (( segid " " and resid 1606 and name HB3 )) OR (( segid " " and resid 1606 and name HB2 )) OR (( segid " " and resid 1606 and name HB1 )) ) 3.300 3.300 0.000 peak 2425 weight 0.10000E+01 volume 0.16650E+01 ppm1 8.754 ppm2 0.482 ASSI ( (( segid " " and resid 1607 and name HN )) )( (( segid " " and resid 1607 and name HA )) ) 5.000 5.000 0.000 peak 2419 weight 0.10000E+01 volume 0.65700E+00 ppm1 8.752 ppm2 4.407 ASSI ( (( segid " " and resid 1607 and name HN )) )( (( segid " " and resid 1607 and name HD23)) OR (( segid " " and resid 1607 and name HD22)) OR (( segid " " and resid 1607 and name HD21)) OR (( segid " " and resid 1607 and name HD13)) OR (( segid " " and resid 1607 and name HD12)) OR (( segid " " and resid 1607 and name HD11)) ) 5.000 5.000 0.000 peak 2424 weight 0.10000E+01 volume 0.67500E+00 ppm1 8.756 ppm2 0.837 ASSI ( (( segid " " and resid 1608 and name HN )) )( (( segid " " and resid 1607 and name HA )) ) 2.700 2.700 0.000 peak 7268 weight 0.10000E+01 volume 0.49820E+01 ppm1 8.452 ppm2 4.406 ASSI ( (( segid " " and resid 1608 and name HE21)) )( (( segid " " and resid 1608 and name HG1 )) ) 5.000 5.000 0.000 peak 4763 weight 0.10000E+01 volume 0.82100E+00 ppm1 6.761 ppm2 1.859 ASSI ( (( segid " " and resid 1608 and name HE22)) )( (( segid " " and resid 1608 and name HG1 )) ) 5.000 5.000 0.000 peak 4761 weight 0.10000E+01 volume 0.63400E+00 ppm1 6.442 ppm2 1.858 ASSI ( (( segid " " and resid 1609 and name HN )) )( (( segid " " and resid 1608 and name HA )) ) 3.300 3.300 0.000 peak 2391 weight 0.10000E+01 volume 0.17820E+01 ppm1 8.855 ppm2 4.594 ASSI ( (( segid " " and resid 1609 and name HN )) )( (( segid " " and resid 1609 and name HD13)) OR (( segid " " and resid 1609 and name HD12)) OR (( segid " " and resid 1609 and name HD11)) ) 5.000 5.000 0.000 peak 2398 weight 0.10000E+01 volume 0.31100E+00 ppm1 8.855 ppm2 0.704 ASSI ( (( segid " " and resid 1610 and name HN )) )( (( segid " " and resid 1610 and name HA )) ) 5.000 5.000 0.000 peak 2382 weight 0.10000E+01 volume 0.43700E+00 ppm1 8.559 ppm2 4.258 ASSI ( (( segid " " and resid 1610 and name HN )) )( (( segid " " and resid 1610 and name HB2 )) ) 5.000 5.000 0.000 peak 2384 weight 0.10000E+01 volume 0.10800E+01 ppm1 8.555 ppm2 1.548 ASSI ( (( segid " " and resid 1611 and name HN )) )( (( segid " " and resid 1610 and name HA )) ) 3.300 3.300 0.000 peak 2363 weight 0.10000E+01 volume 0.28130E+01 ppm1 8.259 ppm2 4.257 ASSI ( (( segid " " and resid 1611 and name HN )) )( (( segid " " and resid 1610 and name HB1 )) ) 6.000 6.000 0.000 peak 2367 weight 0.10000E+01 volume 0.21200E+00 ppm1 8.256 ppm2 1.682 ASSI ( (( segid " " and resid 1611 and name HN )) )( (( segid " " and resid 1610 and name HB2 )) ) 6.000 6.000 0.000 peak 2368 weight 0.10000E+01 volume 0.27000E+00 ppm1 8.258 ppm2 1.548 ASSI ( (( segid " " and resid 1611 and name HN )) )( (( segid " " and resid 1610 and name HG2 )) OR (( segid " " and resid 1610 and name HG1 )) ) 5.000 5.000 0.000 peak 2369 weight 0.10000E+01 volume 0.33300E+00 ppm1 8.258 ppm2 1.149 ASSI ( (( segid " " and resid 1611 and name HN )) )( (( segid " " and resid 1611 and name HB2 )) OR (( segid " " and resid 1611 and name HB1 )) ) 5.000 5.000 0.000 peak 2366 weight 0.10000E+01 volume 0.10420E+01 ppm1 8.258 ppm2 2.658 ASSI ( (( segid " " and resid 1611 and name HN )) )( (( segid " " and resid 1611 and name HD2 )) OR (( segid " " and resid 1611 and name HD1 )) ) 6.000 6.000 0.000 peak 2371 weight 0.10000E+01 volume 0.15500E+00 ppm1 8.261 ppm2 6.965 ASSI ( (( segid " " and resid 1612 and name HD21)) )( (( segid " " and resid 1612 and name HB1 )) ) 5.000 5.000 0.000 peak 4757 weight 0.10000E+01 volume 0.33800E+00 ppm1 7.157 ppm2 2.756 ASSI ( (( segid " " and resid 1612 and name HD22)) )( (( segid " " and resid 1612 and name HB1 )) ) 6.000 6.000 0.000 peak 4759 weight 0.10000E+01 volume 0.19500E+00 ppm1 6.679 ppm2 2.766 ASSI ( (( segid " " and resid 1612 and name HD21)) )( (( segid " " and resid 1612 and name HB2 )) ) 5.000 5.000 0.000 peak 4758 weight 0.10000E+01 volume 0.59000E+00 ppm1 7.155 ppm2 2.589 ASSI ( (( segid " " and resid 1612 and name HD22)) )( (( segid " " and resid 1612 and name HB2 )) ) 5.000 5.000 0.000 peak 4760 weight 0.10000E+01 volume 0.35200E+00 ppm1 6.684 ppm2 2.591 ASSI ( (( segid " " and resid 1613 and name HN )) )( (( segid " " and resid 1612 and name HB2 )) ) 5.000 5.000 0.000 peak 2339 weight 0.10000E+01 volume 0.49000E+00 ppm1 8.204 ppm2 2.586 ASSI ( (( segid " " and resid 1613 and name HN )) )( (( segid " " and resid 1613 and name HB3 )) OR (( segid " " and resid 1613 and name HB2 )) OR (( segid " " and resid 1613 and name HB1 )) ) 5.000 5.000 0.000 peak 2340 weight 0.10000E+01 volume 0.60300E+00 ppm1 8.203 ppm2 1.370 ASSI ( (( segid " " and resid 1614 and name HN )) )( (( segid " " and resid 1612 and name HB1 )) ) 6.000 6.000 0.000 peak 2330 weight 0.10000E+01 volume 0.23100E+00 ppm1 7.903 ppm2 2.791 ASSI ( (( segid " " and resid 1614 and name HN )) )( (( segid " " and resid 1612 and name HB2 )) ) 5.000 5.000 0.000 peak 2331 weight 0.10000E+01 volume 0.35900E+00 ppm1 7.903 ppm2 2.613 ASSI ( (( segid " " and resid 1614 and name HN )) )( (( segid " " and resid 1614 and name HB2 )) OR (( segid " " and resid 1614 and name HB1 )) ) 5.000 5.000 0.000 peak 2329 weight 0.10000E+01 volume 0.12710E+01 ppm1 7.903 ppm2 3.812 ASSI ( (( segid " " and resid 1614 and name HN )) )( (( segid " " and resid 1615 and name HN )) ) 6.000 6.000 0.000 peak 2334 weight 0.10000E+01 volume 0.19500E+00 ppm1 7.903 ppm2 8.428 ASSI ( (( segid " " and resid 1615 and name HN )) )( (( segid " " and resid 1615 and name HA )) ) 5.000 5.000 0.000 peak 2324 weight 0.10000E+01 volume 0.46700E+00 ppm1 8.426 ppm2 5.279 ASSI ( (( segid " " and resid 1615 and name HN )) )( (( segid " " and resid 1615 and name HB2 )) OR (( segid " " and resid 1615 and name HB1 )) ) 5.000 5.000 0.000 peak 2323 weight 0.10000E+01 volume 0.10980E+01 ppm1 8.421 ppm2 2.681 ASSI ( (( segid " " and resid 1616 and name HN )) )( (( segid " " and resid 1615 and name HA )) ) 3.300 3.300 0.000 peak 2312 weight 0.10000E+01 volume 0.24910E+01 ppm1 8.932 ppm2 5.278 ASSI ( (( segid " " and resid 1616 and name HN )) )( (( segid " " and resid 1615 and name HD2 )) OR (( segid " " and resid 1615 and name HD1 )) ) 6.000 6.000 0.000 peak 2313 weight 0.10000E+01 volume 0.23800E+00 ppm1 8.936 ppm2 6.921 ASSI ( (( segid " " and resid 1616 and name HN )) )( (( segid " " and resid 1616 and name HA )) ) 5.000 5.000 0.000 peak 2311 weight 0.10000E+01 volume 0.68300E+00 ppm1 8.931 ppm2 4.523 ASSI ( (( segid " " and resid 1617 and name HN )) )( (( segid " " and resid 1616 and name HA )) ) 3.300 3.300 0.000 peak 2303 weight 0.10000E+01 volume 0.19790E+01 ppm1 8.440 ppm2 4.523 ASSI ( (( segid " " and resid 1617 and name HN )) )( (( segid " " and resid 1617 and name HA )) ) 5.000 5.000 0.000 peak 2302 weight 0.10000E+01 volume 0.37300E+00 ppm1 8.445 ppm2 5.412 ASSI ( (( segid " " and resid 1617 and name HN )) )( (( segid " " and resid 1617 and name HB2 )) ) 5.000 5.000 0.000 peak 2305 weight 0.10000E+01 volume 0.48600E+00 ppm1 8.442 ppm2 2.370 ASSI ( (( segid " " and resid 1617 and name HN )) )( (( segid " " and resid 1617 and name HD2 )) OR (( segid " " and resid 1617 and name HD1 )) ) 5.000 5.000 0.000 peak 2299 weight 0.10000E+01 volume 0.61300E+00 ppm1 8.439 ppm2 6.965 ASSI ( (( segid " " and resid 1618 and name HN )) )( (( segid " " and resid 1617 and name HA )) ) 3.300 3.300 0.000 peak 2289 weight 0.10000E+01 volume 0.21950E+01 ppm1 8.763 ppm2 5.419 ASSI ( (( segid " " and resid 1618 and name HN )) )( (( segid " " and resid 1618 and name HA )) ) 5.000 5.000 0.000 peak 2290 weight 0.10000E+01 volume 0.83200E+00 ppm1 8.769 ppm2 4.580 ASSI ( (( segid " " and resid 1619 and name HN )) )( (( segid " " and resid 1582 and name HA )) ) 5.000 5.000 0.000 peak 2285 weight 0.10000E+01 volume 0.58500E+00 ppm1 8.905 ppm2 5.966 ASSI ( (( segid " " and resid 1619 and name HN )) )( (( segid " " and resid 1618 and name HA )) ) 3.300 3.300 0.000 peak 2283 weight 0.10000E+01 volume 0.23670E+01 ppm1 8.907 ppm2 4.573 ASSI ( (( segid " " and resid 1619 and name HN )) )( (( segid " " and resid 1619 and name HA )) ) 5.000 5.000 0.000 peak 2284 weight 0.10000E+01 volume 0.36000E+00 ppm1 8.913 ppm2 4.742 ASSI ( (( segid " " and resid 1621 and name HN )) )( (( segid " " and resid 1622 and name HN )) ) 5.000 5.000 0.000 peak 2266 weight 0.10000E+01 volume 0.78200E+00 ppm1 8.980 ppm2 9.106 ASSI ( (( segid " " and resid 1622 and name HN )) )( (( segid " " and resid 1621 and name HA )) ) 3.300 3.300 0.000 peak 2259 weight 0.10000E+01 volume 0.24030E+01 ppm1 9.103 ppm2 5.010 ASSI ( (( segid " " and resid 1622 and name HN )) )( (( segid " " and resid 1621 and name HD23)) OR (( segid " " and resid 1621 and name HD22)) OR (( segid " " and resid 1621 and name HD21)) ) 5.000 5.000 0.000 peak 2257 weight 0.10000E+01 volume 0.40800E+00 ppm1 9.099 ppm2 0.793 ASSI ( (( segid " " and resid 1622 and name HN )) )( (( segid " " and resid 1622 and name HB1 )) ) 5.000 5.000 0.000 peak 2253 weight 0.10000E+01 volume 0.33500E+00 ppm1 9.096 ppm2 3.280 ASSI ( (( segid " " and resid 1622 and name HN )) )( (( segid " " and resid 1622 and name HB2 )) ) 6.000 6.000 0.000 peak 2254 weight 0.10000E+01 volume 0.26600E+00 ppm1 9.099 ppm2 2.746 ASSI ( (( segid " " and resid 1622 and name HN )) )( (( segid " " and resid 1625 and name HB )) ) 5.000 5.000 0.000 peak 2252 weight 0.10000E+01 volume 0.62800E+00 ppm1 9.104 ppm2 3.991 ASSI ( (( segid " " and resid 1622 and name HN )) )( (( segid " " and resid 1625 and name HG1 )) ) 5.000 5.000 0.000 peak 2260 weight 0.10000E+01 volume 0.13070E+01 ppm1 9.102 ppm2 5.111 ASSI ( (( segid " " and resid 1622 and name HN )) )( (( segid " " and resid 1625 and name HN )) ) 5.000 5.000 0.000 peak 2261 weight 0.10000E+01 volume 0.44500E+00 ppm1 9.099 ppm2 7.699 ASSI ( (( segid " " and resid 1623 and name HN )) )( (( segid " " and resid 1622 and name HB1 )) ) 3.300 3.300 0.000 peak 2240 weight 0.10000E+01 volume 0.25600E+01 ppm1 7.839 ppm2 3.278 ASSI ( (( segid " " and resid 1623 and name HN )) )( (( segid " " and resid 1622 and name HB2 )) ) 3.300 3.300 0.000 peak 2241 weight 0.10000E+01 volume 0.21200E+01 ppm1 7.839 ppm2 2.740 ASSI ( (( segid " " and resid 1623 and name HN )) )( (( segid " " and resid 1622 and name HN )) ) 6.000 6.000 0.000 peak 2238 weight 0.10000E+01 volume 0.16300E+00 ppm1 7.839 ppm2 9.097 ASSI ( (( segid " " and resid 1623 and name HN )) )( (( segid " " and resid 1623 and name HB2 )) ) 5.000 5.000 0.000 peak 2233 weight 0.10000E+01 volume 0.11060E+01 ppm1 7.839 ppm2 3.818 ASSI ( (( segid " " and resid 1623 and name HN )) )( (( segid " " and resid 1624 and name HN )) ) 5.000 5.000 0.000 peak 2237 weight 0.10000E+01 volume 0.87500E+00 ppm1 7.839 ppm2 8.386 ASSI ( (( segid " " and resid 1624 and name HN )) )( (( segid " " and resid 1624 and name HA )) ) 5.000 5.000 0.000 peak 4793 weight 0.10000E+01 volume 0.13720E+01 ppm1 8.383 ppm2 4.415 ASSI ( (( segid " " and resid 1624 and name HN )) )( (( segid " " and resid 1625 and name HA )) ) 6.000 6.000 0.000 peak 4797 weight 0.10000E+01 volume 0.21400E+00 ppm1 8.383 ppm2 4.567 ASSI ( (( segid " " and resid 1625 and name HN )) )( (( segid " " and resid 1624 and name HA )) ) 5.000 5.000 0.000 peak 2220 weight 0.10000E+01 volume 0.84800E+00 ppm1 7.696 ppm2 4.412 ASSI ( (( segid " " and resid 1625 and name HN )) )( (( segid " " and resid 1624 and name HB2 )) OR (( segid " " and resid 1624 and name HB1 )) ) 5.000 5.000 0.000 peak 2217 weight 0.10000E+01 volume 0.11690E+01 ppm1 7.696 ppm2 1.725 ASSI ( (( segid " " and resid 1625 and name HN )) )( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) ) 6.000 6.000 0.000 peak 2215 weight 0.10000E+01 volume 0.25300E+00 ppm1 7.696 ppm2 0.837 ASSI ( (( segid " " and resid 1625 and name HN )) )( (( segid " " and resid 1624 and name HN )) ) 2.700 2.700 0.000 peak 2226 weight 0.10000E+01 volume 0.31480E+01 ppm1 7.696 ppm2 8.386 ASSI ( (( segid " " and resid 1625 and name HN )) )( (( segid " " and resid 1625 and name HA )) ) 5.000 5.000 0.000 peak 2221 weight 0.10000E+01 volume 0.14120E+01 ppm1 7.696 ppm2 4.563 ASSI ( (( segid " " and resid 1625 and name HN )) )( (( segid " " and resid 1625 and name HB )) ) 3.300 3.300 0.000 peak 2218 weight 0.10000E+01 volume 0.24560E+01 ppm1 7.696 ppm2 3.990 ASSI ( (( segid " " and resid 1625 and name HN )) )( (( segid " " and resid 1626 and name HN )) ) 5.000 5.000 0.000 peak 2228 weight 0.10000E+01 volume 0.32500E+00 ppm1 7.698 ppm2 9.630 ASSI ( (( segid " " and resid 1626 and name HN )) )( (( segid " " and resid 1624 and name HD23)) OR (( segid " " and resid 1624 and name HD22)) OR (( segid " " and resid 1624 and name HD21)) ) 6.000 6.000 0.000 peak 2197 weight 0.10000E+01 volume 0.27000E+00 ppm1 9.643 ppm2 0.837 ASSI ( (( segid " " and resid 1626 and name HN )) )( (( segid " " and resid 1625 and name HA )) ) 2.700 2.700 0.000 peak 2192 weight 0.10000E+01 volume 0.34290E+01 ppm1 9.640 ppm2 4.566 ASSI ( (( segid " " and resid 1626 and name HN )) )( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) ) 3.300 3.300 0.000 peak 2194 weight 0.10000E+01 volume 0.18790E+01 ppm1 9.642 ppm2 3.209 ASSI ( (( segid " " and resid 1627 and name HN )) )( (( segid " " and resid 1517 and name HA )) ) 5.000 5.000 0.000 peak 2183 weight 0.10000E+01 volume 0.41300E+00 ppm1 8.303 ppm2 4.453 ASSI ( (( segid " " and resid 1627 and name HN )) )( (( segid " " and resid 1626 and name HA )) ) 2.700 2.700 0.000 peak 2182 weight 0.10000E+01 volume 0.32870E+01 ppm1 8.311 ppm2 4.619 ASSI ( (( segid " " and resid 1627 and name HN )) )( (( segid " " and resid 1626 and name HB2 )) OR (( segid " " and resid 1626 and name HB1 )) ) 5.000 5.000 0.000 peak 2184 weight 0.10000E+01 volume 0.36000E+00 ppm1 8.312 ppm2 3.217 ASSI ( (( segid " " and resid 1627 and name HN )) )( (( segid " " and resid 1627 and name HA )) ) 5.000 5.000 0.000 peak 2181 weight 0.10000E+01 volume 0.48100E+00 ppm1 8.311 ppm2 4.878 ASSI ( (( segid " " and resid 1627 and name HN )) )( (( segid " " and resid 1627 and name HG12)) ) 5.000 5.000 0.000 peak 2189 weight 0.10000E+01 volume 0.35700E+00 ppm1 8.311 ppm2 0.667 ASSI ( (( segid " " and resid 1628 and name HN )) )( (( segid " " and resid 1627 and name HA )) ) 2.700 2.700 0.000 peak 2166 weight 0.10000E+01 volume 0.34250E+01 ppm1 9.219 ppm2 4.880 ASSI ( (( segid " " and resid 1628 and name HN )) )( (( segid " " and resid 1627 and name HB )) ) 5.000 5.000 0.000 peak 2170 weight 0.10000E+01 volume 0.60400E+00 ppm1 9.212 ppm2 1.502 ASSI ( (( segid " " and resid 1629 and name HN )) )( (( segid " " and resid 1628 and name HA )) ) 3.300 3.300 0.000 peak 2154 weight 0.10000E+01 volume 0.23850E+01 ppm1 9.030 ppm2 4.936 ASSI ( (( segid " " and resid 1629 and name HN )) )( (( segid " " and resid 1628 and name HG2 )) ) 5.000 5.000 0.000 peak 2158 weight 0.10000E+01 volume 0.36100E+00 ppm1 9.025 ppm2 2.303 ASSI ( (( segid " " and resid 1629 and name HN )) )( (( segid " " and resid 1629 and name HA )) ) 5.000 5.000 0.000 peak 2152 weight 0.10000E+01 volume 0.39900E+00 ppm1 9.028 ppm2 4.523 ASSI ( (( segid " " and resid 1629 and name HN )) )( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) ) 5.000 5.000 0.000 peak 2156 weight 0.10000E+01 volume 0.74500E+00 ppm1 9.028 ppm2 6.833 ASSI ( (( segid " " and resid 1630 and name HN )) )( (( segid " " and resid 1600 and name HN )) ) 5.000 5.000 0.000 peak 2175 weight 0.10000E+01 volume 0.34200E+00 ppm1 8.419 ppm2 9.897 ASSI ( (( segid " " and resid 1630 and name HN )) )( (( segid " " and resid 1629 and name HA )) ) 3.300 3.300 0.000 peak 2276 weight 0.10000E+01 volume 0.26810E+01 ppm1 8.412 ppm2 4.523 ASSI ( (( segid " " and resid 1630 and name HN )) )( (( segid " " and resid 1629 and name HB1 )) ) 5.000 5.000 0.000 peak 2277 weight 0.10000E+01 volume 0.40700E+00 ppm1 8.411 ppm2 3.241 ASSI ( (( segid " " and resid 1630 and name HN )) )( (( segid " " and resid 1629 and name HN )) ) 6.000 6.000 0.000 peak 5130 weight 0.10000E+01 volume 0.21900E+00 ppm1 8.414 ppm2 9.044 ASSI ( (( segid " " and resid 1630 and name HN )) )( (( segid " " and resid 1630 and name HA )) ) 5.000 5.000 0.000 peak 2275 weight 0.10000E+01 volume 0.68600E+00 ppm1 8.415 ppm2 4.833 ASSI ( (( segid " " and resid 1630 and name HE1 )) )( (( segid " " and resid 1598 and name HE21)) ) 6.000 6.000 0.000 peak 2248 weight 0.10000E+01 volume 0.21500E+00 ppm1 10.023 ppm2 6.877 ASSI ( (( segid " " and resid 1630 and name HE1 )) )( (( segid " " and resid 1598 and name HE22)) ) 6.000 6.000 0.000 peak 2249 weight 0.10000E+01 volume 0.22800E+00 ppm1 10.023 ppm2 6.611 ASSI ( (( segid " " and resid 1630 and name HE1 )) )( (( segid " " and resid 1630 and name HD1 )) ) 2.700 2.700 0.000 peak 2246 weight 0.10000E+01 volume 0.41630E+01 ppm1 10.024 ppm2 7.013 ASSI ( (( segid " " and resid 1630 and name HE1 )) )( (( segid " " and resid 1630 and name HZ2 )) ) 3.300 3.300 0.000 peak 2209 weight 0.10000E+01 volume 0.19700E+01 ppm1 10.024 ppm2 7.454 ASSI ( (( segid " " and resid 1630 and name HE1 )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) ) 2.700 2.700 0.000 peak 2273 weight 0.10000E+01 volume 0.31220E+01 ppm1 10.024 ppm2 0.974 ASSI ( (( segid " " and resid 1630 and name HE1 )) )( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) ) 5.000 5.000 0.000 peak 2274 weight 0.10000E+01 volume 0.33900E+00 ppm1 10.026 ppm2 -0.586 ASSI ( (( segid " " and resid 1632 and name HN )) )( (( segid " " and resid 1629 and name HD2 )) OR (( segid " " and resid 1629 and name HD1 )) ) 5.000 5.000 0.000 peak 2143 weight 0.10000E+01 volume 0.50000E+00 ppm1 8.368 ppm2 6.832 ASSI ( (( segid " " and resid 1632 and name HN )) )( (( segid " " and resid 1631 and name HA )) ) 2.700 2.700 0.000 peak 2135 weight 0.10000E+01 volume 0.41350E+01 ppm1 8.369 ppm2 4.030 ASSI ( (( segid " " and resid 1632 and name HN )) )( (( segid " " and resid 1631 and name HB2 )) OR (( segid " " and resid 1631 and name HB1 )) ) 5.000 5.000 0.000 peak 2139 weight 0.10000E+01 volume 0.13260E+01 ppm1 8.372 ppm2 2.213 ASSI ( (( segid " " and resid 1632 and name HN )) )( (( segid " " and resid 1632 and name HB1 )) ) 5.000 5.000 0.000 peak 2140 weight 0.10000E+01 volume 0.10680E+01 ppm1 8.371 ppm2 1.896 ASSI ( (( segid " " and resid 1632 and name HN )) )( (( segid " " and resid 1632 and name HG2 )) ) 5.000 5.000 0.000 peak 2142 weight 0.10000E+01 volume 0.56500E+00 ppm1 8.373 ppm2 1.592 ASSI ( (( segid " " and resid 1632 and name HN )) )( (( segid " " and resid 1633 and name HB2 )) OR (( segid " " and resid 1633 and name HB1 )) ) 5.000 5.000 0.000 peak 2138 weight 0.10000E+01 volume 0.43300E+00 ppm1 8.369 ppm2 2.836 ASSI ( (( segid " " and resid 1632 and name HN )) )( (( segid " " and resid 1633 and name HN )) ) 3.300 3.300 0.000 peak 2144 weight 0.10000E+01 volume 0.22570E+01 ppm1 8.369 ppm2 7.608 ASSI ( (( segid " " and resid 1633 and name HN )) )( (( segid " " and resid 1631 and name HA )) ) 5.000 5.000 0.000 peak 2108 weight 0.10000E+01 volume 0.80300E+00 ppm1 7.606 ppm2 4.029 ASSI ( (( segid " " and resid 1633 and name HN )) )( (( segid " " and resid 1632 and name HA )) ) 5.000 5.000 0.000 peak 2107 weight 0.10000E+01 volume 0.99400E+00 ppm1 7.606 ppm2 4.275 ASSI ( (( segid " " and resid 1633 and name HN )) )( (( segid " " and resid 1632 and name HB1 )) ) 5.000 5.000 0.000 peak 2112 weight 0.10000E+01 volume 0.47700E+00 ppm1 7.606 ppm2 1.899 ASSI ( (( segid " " and resid 1633 and name HN )) )( (( segid " " and resid 1632 and name HG2 )) ) 6.000 6.000 0.000 peak 2114 weight 0.10000E+01 volume 0.16900E+00 ppm1 7.606 ppm2 1.593 ASSI ( (( segid " " and resid 1633 and name HN )) )( (( segid " " and resid 1633 and name HA )) ) 3.300 3.300 0.000 peak 5271 weight 0.10000E+01 volume 0.17650E+01 ppm1 7.607 ppm2 4.662 ASSI ( (( segid " " and resid 1633 and name HN )) )( (( segid " " and resid 1633 and name HB2 )) OR (( segid " " and resid 1633 and name HB1 )) ) 2.700 2.700 0.000 peak 2109 weight 0.10000E+01 volume 0.30790E+01 ppm1 7.605 ppm2 2.836 ASSI ( (( segid " " and resid 1633 and name HN )) )( (( segid " " and resid 1634 and name HN )) ) 5.000 5.000 0.000 peak 2117 weight 0.10000E+01 volume 0.33500E+00 ppm1 7.607 ppm2 7.987 ASSI ( (( segid " " and resid 1634 and name HN )) )( (( segid " " and resid 1633 and name HA )) ) 2.700 2.700 0.000 peak 2094 weight 0.10000E+01 volume 0.47940E+01 ppm1 7.985 ppm2 4.657 ASSI ( (( segid " " and resid 1634 and name HN )) )( (( segid " " and resid 1634 and name HB )) ) 5.000 5.000 0.000 peak 2095 weight 0.10000E+01 volume 0.49900E+00 ppm1 7.987 ppm2 4.478 ASSI ( (( segid " " and resid 1634 and name HN )) )( (( segid " " and resid 1634 and name HG23)) OR (( segid " " and resid 1634 and name HG22)) OR (( segid " " and resid 1634 and name HG21)) ) 3.300 3.300 0.000 peak 2098 weight 0.10000E+01 volume 0.19670E+01 ppm1 7.985 ppm2 1.192 ASSI ( (( segid " " and resid 1634 and name HN )) )( (( segid " " and resid 1635 and name HN )) ) 3.300 3.300 0.000 peak 2092 weight 0.10000E+01 volume 0.19520E+01 ppm1 7.986 ppm2 8.476 ASSI ( (( segid " " and resid 1635 and name HN )) )( (( segid " " and resid 1634 and name HA )) ) 5.000 5.000 0.000 peak 2084 weight 0.10000E+01 volume 0.60900E+00 ppm1 8.484 ppm2 4.212 ASSI ( (( segid " " and resid 1635 and name HN )) )( (( segid " " and resid 1635 and name HG23)) OR (( segid " " and resid 1635 and name HG22)) OR (( segid " " and resid 1635 and name HG21)) ) 3.300 3.300 0.000 peak 2087 weight 0.10000E+01 volume 0.22820E+01 ppm1 8.482 ppm2 1.230 ASSI ( (( segid " " and resid 1635 and name HN )) )( (( segid " " and resid 1636 and name HN )) ) 3.300 3.300 0.000 peak 2082 weight 0.10000E+01 volume 0.21310E+01 ppm1 8.483 ppm2 7.586 ASSI ( (( segid " " and resid 1636 and name HN )) )( (( segid " " and resid 1636 and name HA )) ) 3.300 3.300 0.000 peak 2071 weight 0.10000E+01 volume 0.16020E+01 ppm1 7.582 ppm2 4.901 ASSI ( (( segid " " and resid 1636 and name HN )) )( (( segid " " and resid 1636 and name HB2 )) OR (( segid " " and resid 1636 and name HB1 )) ) 2.700 2.700 0.000 peak 2075 weight 0.10000E+01 volume 0.35930E+01 ppm1 7.581 ppm2 3.484 ASSI ( (( segid " " and resid 1636 and name HN )) )( (( segid " " and resid 1639 and name HN )) ) 5.000 5.000 0.000 peak 2080 weight 0.10000E+01 volume 0.31300E+00 ppm1 7.579 ppm2 8.168 ASSI ( (( segid " " and resid 1639 and name HN )) )( (( segid " " and resid 1638 and name HA )) ) 5.000 5.000 0.000 peak 2065 weight 0.10000E+01 volume 0.45900E+00 ppm1 8.187 ppm2 4.301 ASSI ( (( segid " " and resid 1639 and name HN )) )( (( segid " " and resid 1639 and name HA )) ) 5.000 5.000 0.000 peak 2064 weight 0.10000E+01 volume 0.14570E+01 ppm1 8.187 ppm2 4.135 ASSI ( (( segid " " and resid 1639 and name HN )) )( (( segid " " and resid 1639 and name HB1 )) ) 3.300 3.300 0.000 peak 2070 weight 0.10000E+01 volume 0.18970E+01 ppm1 8.185 ppm2 3.370 ASSI ( (( segid " " and resid 1639 and name HN )) )( (( segid " " and resid 1639 and name HB2 )) ) 5.000 5.000 0.000 peak 2069 weight 0.10000E+01 volume 0.76000E+00 ppm1 8.186 ppm2 3.057 ASSI ( (( segid " " and resid 1639 and name HN )) )( (( segid " " and resid 1640 and name HN )) ) 5.000 5.000 0.000 peak 2067 weight 0.10000E+01 volume 0.10710E+01 ppm1 8.186 ppm2 8.757 ASSI ( (( segid " " and resid 1640 and name HN )) )( (( segid " " and resid 1639 and name HA )) ) 5.000 5.000 0.000 peak 2054 weight 0.10000E+01 volume 0.70300E+00 ppm1 8.755 ppm2 4.123 ASSI ( (( segid " " and resid 1640 and name HN )) )( (( segid " " and resid 1639 and name HB1 )) ) 5.000 5.000 0.000 peak 2052 weight 0.10000E+01 volume 0.76800E+00 ppm1 8.757 ppm2 3.368 ASSI ( (( segid " " and resid 1640 and name HN )) )( (( segid " " and resid 1639 and name HB2 )) ) 5.000 5.000 0.000 peak 2051 weight 0.10000E+01 volume 0.44200E+00 ppm1 8.757 ppm2 3.057 ASSI ( (( segid " " and resid 1640 and name HN )) )( (( segid " " and resid 1640 and name HA )) ) 3.300 3.300 0.000 peak 2053 weight 0.10000E+01 volume 0.15410E+01 ppm1 8.756 ppm2 3.963 ASSI ( (( segid " " and resid 1640 and name HN )) )( (( segid " " and resid 1640 and name HB2 )) OR (( segid " " and resid 1640 and name HB1 )) ) 2.700 2.700 0.000 peak 2048 weight 0.10000E+01 volume 0.44320E+01 ppm1 8.757 ppm2 2.171 ASSI ( (( segid " " and resid 1640 and name HN )) )( (( segid " " and resid 1640 and name HG1 )) ) 5.000 5.000 0.000 peak 2047 weight 0.10000E+01 volume 0.43300E+00 ppm1 8.757 ppm2 2.545 ASSI ( (( segid " " and resid 1640 and name HN )) )( (( segid " " and resid 1640 and name HG2 )) ) 5.000 5.000 0.000 peak 2046 weight 0.10000E+01 volume 0.42100E+00 ppm1 8.760 ppm2 2.393 ASSI ( (( segid " " and resid 1640 and name HE21)) )( (( segid " " and resid 1640 and name HB2 )) OR (( segid " " and resid 1640 and name HB1 )) ) 6.000 6.000 0.000 peak 2036 weight 0.10000E+01 volume 0.20800E+00 ppm1 7.524 ppm2 2.171 ASSI ( (( segid " " and resid 1640 and name HE22)) )( (( segid " " and resid 1640 and name HB2 )) OR (( segid " " and resid 1640 and name HB1 )) ) 6.000 6.000 0.000 peak 2035 weight 0.10000E+01 volume 0.19100E+00 ppm1 6.852 ppm2 2.169 ASSI ( (( segid " " and resid 1640 and name HE21)) )( (( segid " " and resid 1640 and name HG1 )) ) 6.000 6.000 0.000 peak 2032 weight 0.10000E+01 volume 0.22900E+00 ppm1 7.521 ppm2 2.547 ASSI ( (( segid " " and resid 1640 and name HE22)) )( (( segid " " and resid 1640 and name HG1 )) ) 6.000 6.000 0.000 peak 2031 weight 0.10000E+01 volume 0.20000E+00 ppm1 6.856 ppm2 2.547 ASSI ( (( segid " " and resid 1640 and name HE21)) )( (( segid " " and resid 1640 and name HG2 )) ) 5.000 5.000 0.000 peak 2034 weight 0.10000E+01 volume 0.31800E+00 ppm1 7.521 ppm2 2.393 ASSI ( (( segid " " and resid 1640 and name HE22)) )( (( segid " " and resid 1640 and name HG2 )) ) 6.000 6.000 0.000 peak 2033 weight 0.10000E+01 volume 0.20500E+00 ppm1 6.854 ppm2 2.407 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1641 and name HB3 )) OR (( segid " " and resid 1641 and name HB2 )) OR (( segid " " and resid 1641 and name HB1 )) ) 3.300 3.300 0.000 peak 2020 weight 0.10000E+01 volume 0.21240E+01 ppm1 8.085 ppm2 1.448 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1642 and name HB1 )) ) 3.300 3.300 0.000 peak 2016 weight 0.10000E+01 volume 0.21470E+01 ppm1 8.085 ppm2 3.035 ASSI ( (( segid " " and resid 1642 and name HN )) )( (( segid " " and resid 1642 and name HB2 )) ) 3.300 3.300 0.000 peak 2017 weight 0.10000E+01 volume 0.20180E+01 ppm1 8.085 ppm2 2.747 ASSI ( (( segid " " and resid 1643 and name HN )) )( (( segid " " and resid 1642 and name HB2 )) ) 5.000 5.000 0.000 peak 2004 weight 0.10000E+01 volume 0.96200E+00 ppm1 8.526 ppm2 2.747 ASSI ( (( segid " " and resid 1643 and name HN )) )( (( segid " " and resid 1642 and name HD2 )) OR (( segid " " and resid 1642 and name HD1 )) ) 5.000 5.000 0.000 peak 2011 weight 0.10000E+01 volume 0.52500E+00 ppm1 8.526 ppm2 6.610 ASSI ( (( segid " " and resid 1643 and name HN )) )( (( segid " " and resid 1644 and name HN )) ) 5.000 5.000 0.000 peak 2012 weight 0.10000E+01 volume 0.10320E+01 ppm1 8.526 ppm2 7.632 ASSI ( (( segid " " and resid 1644 and name HN )) )( (( segid " " and resid 1642 and name HA )) ) 5.000 5.000 0.000 peak 1990 weight 0.10000E+01 volume 0.36600E+00 ppm1 7.627 ppm2 3.947 ASSI ( (( segid " " and resid 1644 and name HN )) )( (( segid " " and resid 1643 and name HA )) ) 5.000 5.000 0.000 peak 1989 weight 0.10000E+01 volume 0.42100E+00 ppm1 7.627 ppm2 3.484 ASSI ( (( segid " " and resid 1644 and name HN )) )( (( segid " " and resid 1643 and name HD13)) OR (( segid " " and resid 1643 and name HD12)) OR (( segid " " and resid 1643 and name HD11)) ) 6.000 6.000 0.000 peak 1986 weight 0.10000E+01 volume 0.29500E+00 ppm1 7.626 ppm2 0.990 ASSI ( (( segid " " and resid 1644 and name HN )) )( (( segid " " and resid 1643 and name HD23)) OR (( segid " " and resid 1643 and name HD22)) OR (( segid " " and resid 1643 and name HD21)) ) 6.000 6.000 0.000 peak 1987 weight 0.10000E+01 volume 0.23200E+00 ppm1 7.625 ppm2 0.794 ASSI ( (( segid " " and resid 1644 and name HN )) )( (( segid " " and resid 1644 and name HA )) ) 3.300 3.300 0.000 peak 1991 weight 0.10000E+01 volume 0.20260E+01 ppm1 7.629 ppm2 4.143 ASSI ( (( segid " " and resid 1645 and name HN )) )( (( segid " " and resid 1644 and name HA )) ) 5.000 5.000 0.000 peak 1977 weight 0.10000E+01 volume 0.46000E+00 ppm1 7.188 ppm2 4.138 ASSI ( (( segid " " and resid 1645 and name HN )) )( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) ) 3.300 3.300 0.000 peak 1976 weight 0.10000E+01 volume 0.17770E+01 ppm1 7.190 ppm2 1.459 ASSI ( (( segid " " and resid 1645 and name HN )) )( (( segid " " and resid 1644 and name HN )) ) 3.300 3.300 0.000 peak 1979 weight 0.10000E+01 volume 0.15850E+01 ppm1 7.190 ppm2 7.631 ASSI ( (( segid " " and resid 1645 and name HN )) )( (( segid " " and resid 1645 and name HA )) ) 5.000 5.000 0.000 peak 1978 weight 0.10000E+01 volume 0.12510E+01 ppm1 7.191 ppm2 4.409 ASSI ( (( segid " " and resid 1645 and name HN )) )( (( segid " " and resid 1645 and name HB1 )) ) 3.300 3.300 0.000 peak 1974 weight 0.10000E+01 volume 0.16830E+01 ppm1 7.191 ppm2 2.924 ASSI ( (( segid " " and resid 1645 and name HN )) )( (( segid " " and resid 1645 and name HB2 )) ) 5.000 5.000 0.000 peak 1975 weight 0.10000E+01 volume 0.10770E+01 ppm1 7.190 ppm2 2.373 ASSI ( (( segid " " and resid 1645 and name HN )) )( (( segid " " and resid 1646 and name HN )) ) 3.300 3.300 0.000 peak 1981 weight 0.10000E+01 volume 0.17600E+01 ppm1 7.191 ppm2 7.054 ASSI ( (( segid " " and resid 1645 and name HN )) )( (( segid " " and resid 1647 and name HN )) ) 5.000 5.000 0.000 peak 1980 weight 0.10000E+01 volume 0.38000E+00 ppm1 7.191 ppm2 8.563 ASSI ( (( segid " " and resid 1645 and name HD22)) )( (( segid " " and resid 1523 and name HD23)) OR (( segid " " and resid 1523 and name HD22)) OR (( segid " " and resid 1523 and name HD21)) ) 5.000 5.000 0.000 peak 1820 weight 0.10000E+01 volume 0.35200E+00 ppm1 7.147 ppm2 1.014 ASSI ( (( segid " " and resid 1645 and name HD22)) )( (( segid " " and resid 1645 and name HB1 )) ) 5.000 5.000 0.000 peak 1817 weight 0.10000E+01 volume 0.63600E+00 ppm1 7.143 ppm2 2.925 ASSI ( (( segid " " and resid 1645 and name HD22)) )( (( segid " " and resid 1645 and name HB2 )) ) 5.000 5.000 0.000 peak 1818 weight 0.10000E+01 volume 0.46700E+00 ppm1 7.143 ppm2 2.368 ASSI ( (( segid " " and resid 1646 and name HN )) )( (( segid " " and resid 1644 and name HB3 )) OR (( segid " " and resid 1644 and name HB2 )) OR (( segid " " and resid 1644 and name HB1 )) ) 5.000 5.000 0.000 peak 1960 weight 0.10000E+01 volume 0.33300E+00 ppm1 7.043 ppm2 1.454 ASSI ( (( segid " " and resid 1646 and name HN )) )( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) ) 5.000 5.000 0.000 peak 1965 weight 0.10000E+01 volume 0.35000E+00 ppm1 7.039 ppm2 -0.600 ASSI ( (( segid " " and resid 1646 and name HN )) )( (( segid " " and resid 1647 and name HN )) ) 5.000 5.000 0.000 peak 1971 weight 0.10000E+01 volume 0.89600E+00 ppm1 7.041 ppm2 8.563 ASSI ( (( segid " " and resid 1646 and name HN )) )( (( segid " " and resid 1648 and name HN )) ) 6.000 6.000 0.000 peak 1970 weight 0.10000E+01 volume 0.20500E+00 ppm1 7.046 ppm2 7.854 ASSI ( (( segid " " and resid 1647 and name HN )) )( (( segid " " and resid 1646 and name HB2 )) ) 5.000 5.000 0.000 peak 1951 weight 0.10000E+01 volume 0.66400E+00 ppm1 8.563 ppm2 0.127 ASSI ( (( segid " " and resid 1647 and name HN )) )( (( segid " " and resid 1646 and name HD13)) OR (( segid " " and resid 1646 and name HD12)) OR (( segid " " and resid 1646 and name HD11)) ) 6.000 6.000 0.000 peak 1952 weight 0.10000E+01 volume 0.19500E+00 ppm1 8.563 ppm2 -0.619 ASSI ( (( segid " " and resid 1647 and name HN )) )( (( segid " " and resid 1646 and name HG )) ) 6.000 6.000 0.000 peak 1950 weight 0.10000E+01 volume 0.25200E+00 ppm1 8.563 ppm2 0.305 ASSI ( (( segid " " and resid 1647 and name HN )) )( (( segid " " and resid 1648 and name HN )) ) 5.000 5.000 0.000 peak 1956 weight 0.10000E+01 volume 0.12090E+01 ppm1 8.563 ppm2 7.853 ASSI ( (( segid " " and resid 1648 and name HN )) )( (( segid " " and resid 1649 and name HB1 )) ) 6.000 6.000 0.000 peak 5229 weight 0.10000E+01 volume 0.24400E+00 ppm1 7.854 ppm2 3.194 ASSI ( (( segid " " and resid 1648 and name HN )) )( (( segid " " and resid 1649 and name HB2 )) ) 6.000 6.000 0.000 peak 1933 weight 0.10000E+01 volume 0.29800E+00 ppm1 7.848 ppm2 3.058 ASSI ( (( segid " " and resid 1648 and name HN )) )( (( segid " " and resid 1649 and name HN )) ) 5.000 5.000 0.000 peak 1940 weight 0.10000E+01 volume 0.13480E+01 ppm1 7.848 ppm2 7.454 ASSI ( (( segid " " and resid 1649 and name HN )) )( (( segid " " and resid 1648 and name HA )) ) 5.000 5.000 0.000 peak 1926 weight 0.10000E+01 volume 0.32100E+00 ppm1 7.447 ppm2 3.990 ASSI ( (( segid " " and resid 1649 and name HN )) )( (( segid " " and resid 1649 and name HB1 )) ) 3.300 3.300 0.000 peak 1919 weight 0.10000E+01 volume 0.17310E+01 ppm1 7.448 ppm2 3.190 ASSI ( (( segid " " and resid 1649 and name HN )) )( (( segid " " and resid 1649 and name HB2 )) ) 3.300 3.300 0.000 peak 1920 weight 0.10000E+01 volume 0.21270E+01 ppm1 7.448 ppm2 3.060 ASSI ( (( segid " " and resid 1649 and name HN )) )( (( segid " " and resid 1650 and name HN )) ) 5.000 5.000 0.000 peak 1931 weight 0.10000E+01 volume 0.10310E+01 ppm1 7.449 ppm2 8.203 ASSI ( (( segid " " and resid 1650 and name HN )) )( (( segid " " and resid 1646 and name HA )) ) 6.000 6.000 0.000 peak 1911 weight 0.10000E+01 volume 0.21300E+00 ppm1 8.192 ppm2 3.502 ASSI ( (( segid " " and resid 1650 and name HN )) )( (( segid " " and resid 1647 and name HA )) ) 5.000 5.000 0.000 peak 1912 weight 0.10000E+01 volume 0.75200E+00 ppm1 8.196 ppm2 4.479 ASSI ( (( segid " " and resid 1650 and name HN )) )( (( segid " " and resid 1649 and name HB1 )) ) 5.000 5.000 0.000 peak 1907 weight 0.10000E+01 volume 0.76500E+00 ppm1 8.192 ppm2 3.191 ASSI ( (( segid " " and resid 1650 and name HN )) )( (( segid " " and resid 1649 and name HB2 )) ) 5.000 5.000 0.000 peak 1906 weight 0.10000E+01 volume 0.10980E+01 ppm1 8.192 ppm2 3.059 ASSI ( (( segid " " and resid 1650 and name HN )) )( (( segid " " and resid 1649 and name HD2 )) OR (( segid " " and resid 1649 and name HD1 )) ) 5.000 5.000 0.000 peak 1914 weight 0.10000E+01 volume 0.12560E+01 ppm1 8.192 ppm2 6.876 ASSI ( (( segid " " and resid 1650 and name HN )) )( (( segid " " and resid 1651 and name HB2 )) OR (( segid " " and resid 1651 and name HB1 )) ) 5.000 5.000 0.000 peak 1909 weight 0.10000E+01 volume 0.33600E+00 ppm1 8.192 ppm2 2.037 ASSI ( (( segid " " and resid 1651 and name HN )) )( (( segid " " and resid 1647 and name HA )) ) 5.000 5.000 0.000 peak 1903 weight 0.10000E+01 volume 0.33700E+00 ppm1 8.079 ppm2 4.479 ASSI ( (( segid " " and resid 1651 and name HN )) )( (( segid " " and resid 1651 and name HB2 )) OR (( segid " " and resid 1651 and name HB1 )) ) 2.700 2.700 0.000 peak 1901 weight 0.10000E+01 volume 0.53960E+01 ppm1 8.078 ppm2 2.037 ASSI ( (( segid " " and resid 1651 and name HN )) )( (( segid " " and resid 1652 and name HN )) ) 3.300 3.300 0.000 peak 1905 weight 0.10000E+01 volume 0.16850E+01 ppm1 8.077 ppm2 7.668 ASSI ( (( segid " " and resid 1652 and name HN )) )( (( segid " " and resid 1650 and name HB3 )) OR (( segid " " and resid 1650 and name HB2 )) OR (( segid " " and resid 1650 and name HB1 )) ) 5.000 5.000 0.000 peak 1892 weight 0.10000E+01 volume 0.36400E+00 ppm1 7.659 ppm2 1.194 ASSI ( (( segid " " and resid 1652 and name HN )) )( (( segid " " and resid 1651 and name HA )) ) 5.000 5.000 0.000 peak 1883 weight 0.10000E+01 volume 0.57800E+00 ppm1 7.658 ppm2 4.034 ASSI ( (( segid " " and resid 1652 and name HN )) )( (( segid " " and resid 1651 and name HB2 )) OR (( segid " " and resid 1651 and name HB1 )) ) 3.300 3.300 0.000 peak 1891 weight 0.10000E+01 volume 0.20320E+01 ppm1 7.662 ppm2 2.037 ASSI ( (( segid " " and resid 1652 and name HN )) )( (( segid " " and resid 1651 and name HG1 )) ) 6.000 6.000 0.000 peak 1889 weight 0.10000E+01 volume 0.25700E+00 ppm1 7.661 ppm2 2.391 ASSI ( (( segid " " and resid 1652 and name HN )) )( (( segid " " and resid 1652 and name HB1 )) ) 3.300 3.300 0.000 peak 1887 weight 0.10000E+01 volume 0.28220E+01 ppm1 7.658 ppm2 2.829 ASSI ( (( segid " " and resid 1652 and name HN )) )( (( segid " " and resid 1652 and name HB2 )) ) 3.300 3.300 0.000 peak 1888 weight 0.10000E+01 volume 0.24590E+01 ppm1 7.658 ppm2 2.702 ASSI ( (( segid " " and resid 1653 and name HN )) )( (( segid " " and resid 1652 and name HN )) ) 5.000 5.000 0.000 peak 1882 weight 0.10000E+01 volume 0.12280E+01 ppm1 8.068 ppm2 7.668 ASSI ( (( segid " " and resid 1653 and name HN )) )( (( segid " " and resid 1653 and name HA )) ) 5.000 5.000 0.000 peak 1875 weight 0.10000E+01 volume 0.10130E+01 ppm1 8.068 ppm2 3.813 ASSI ( (( segid " " and resid 1654 and name HN )) )( (( segid " " and resid 1653 and name HA )) ) 5.000 5.000 0.000 peak 1864 weight 0.10000E+01 volume 0.43800E+00 ppm1 7.959 ppm2 3.812 ASSI ( (( segid " " and resid 1654 and name HN )) )( (( segid " " and resid 1654 and name HA )) ) 3.300 3.300 0.000 peak 1869 weight 0.10000E+01 volume 0.15450E+01 ppm1 7.959 ppm2 4.560 ASSI ( (( segid " " and resid 1654 and name HN )) )( (( segid " " and resid 1654 and name HB1 )) ) 3.300 3.300 0.000 peak 1865 weight 0.10000E+01 volume 0.20710E+01 ppm1 7.959 ppm2 3.394 ASSI ( (( segid " " and resid 1654 and name HN )) )( (( segid " " and resid 1654 and name HB2 )) ) 3.300 3.300 0.000 peak 1866 weight 0.10000E+01 volume 0.21090E+01 ppm1 7.961 ppm2 3.191 ASSI ( (( segid " " and resid 1654 and name HN )) )( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) ) 5.000 5.000 0.000 peak 1870 weight 0.10000E+01 volume 0.34600E+00 ppm1 7.960 ppm2 7.321 ASSI ( (( segid " " and resid 1654 and name HN )) )( (( segid " " and resid 1655 and name HN )) ) 5.000 5.000 0.000 peak 374 weight 0.10000E+01 volume 0.14350E+01 ppm1 7.961 ppm2 8.229 ASSI ( (( segid " " and resid 1655 and name HN )) )( (( segid " " and resid 1652 and name HA )) ) 5.000 5.000 0.000 peak 1852 weight 0.10000E+01 volume 0.35000E+00 ppm1 8.235 ppm2 4.345 ASSI ( (( segid " " and resid 1655 and name HN )) )( (( segid " " and resid 1654 and name HA )) ) 5.000 5.000 0.000 peak 1853 weight 0.10000E+01 volume 0.32000E+00 ppm1 8.230 ppm2 4.567 ASSI ( (( segid " " and resid 1655 and name HN )) )( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) ) 5.000 5.000 0.000 peak 1859 weight 0.10000E+01 volume 0.32400E+00 ppm1 8.231 ppm2 7.321 ASSI ( (( segid " " and resid 1655 and name HN )) )( (( segid " " and resid 1655 and name HA )) ) 3.300 3.300 0.000 peak 1846 weight 0.10000E+01 volume 0.16730E+01 ppm1 8.233 ppm2 4.044 ASSI ( (( segid " " and resid 1655 and name HN )) )( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) OR (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) ) 5.000 5.000 0.000 peak 1858 weight 0.10000E+01 volume 0.87100E+00 ppm1 8.230 ppm2 0.883 ASSI ( (( segid " " and resid 1655 and name HN )) )( (( segid " " and resid 1656 and name HB1 )) ) 6.000 6.000 0.000 peak 4780 weight 0.10000E+01 volume 0.16400E+00 ppm1 8.232 ppm2 2.792 ASSI ( (( segid " " and resid 1655 and name HN )) )( (( segid " " and resid 1656 and name HB2 )) ) 6.000 6.000 0.000 peak 4779 weight 0.10000E+01 volume 0.20100E+00 ppm1 8.230 ppm2 2.702 ASSI ( (( segid " " and resid 1656 and name HN )) )( (( segid " " and resid 1652 and name HA )) ) 5.000 5.000 0.000 peak 1838 weight 0.10000E+01 volume 0.44600E+00 ppm1 8.515 ppm2 4.344 ASSI ( (( segid " " and resid 1656 and name HN )) )( (( segid " " and resid 1655 and name HD23)) OR (( segid " " and resid 1655 and name HD22)) OR (( segid " " and resid 1655 and name HD21)) OR (( segid " " and resid 1655 and name HD13)) OR (( segid " " and resid 1655 and name HD12)) OR (( segid " " and resid 1655 and name HD11)) ) 5.000 5.000 0.000 peak 1847 weight 0.10000E+01 volume 0.37400E+00 ppm1 8.518 ppm2 0.882 ASSI ( (( segid " " and resid 1656 and name HN )) )( (( segid " " and resid 1655 and name HN )) ) 3.300 3.300 0.000 peak 1851 weight 0.10000E+01 volume 0.19170E+01 ppm1 8.519 ppm2 8.233 ASSI ( (( segid " " and resid 1656 and name HN )) )( (( segid " " and resid 1656 and name HA )) ) 5.000 5.000 0.000 peak 1837 weight 0.10000E+01 volume 0.13150E+01 ppm1 8.521 ppm2 4.817 ASSI ( (( segid " " and resid 1656 and name HN )) )( (( segid " " and resid 1656 and name HB1 )) ) 3.300 3.300 0.000 peak 1842 weight 0.10000E+01 volume 0.17840E+01 ppm1 8.517 ppm2 2.792 ASSI ( (( segid " " and resid 1656 and name HN )) )( (( segid " " and resid 1656 and name HB2 )) ) 3.300 3.300 0.000 peak 1843 weight 0.10000E+01 volume 0.15110E+01 ppm1 8.518 ppm2 2.691 ASSI ( (( segid " " and resid 1656 and name HN )) )( (( segid " " and resid 1657 and name HN )) ) 3.300 3.300 0.000 peak 1849 weight 0.10000E+01 volume 0.28830E+01 ppm1 8.520 ppm2 7.894 ASSI ( (( segid " " and resid 1656 and name HD21)) )( (( segid " " and resid 1654 and name HD2 )) OR (( segid " " and resid 1654 and name HD1 )) ) 6.000 6.000 0.000 peak 1667 weight 0.10000E+01 volume 0.12200E+00 ppm1 8.055 ppm2 7.320 ASSI ( (( segid " " and resid 1656 and name HD21)) )( (( segid " " and resid 1655 and name HB2 )) ) 6.000 6.000 0.000 peak 2352 weight 0.10000E+01 volume 0.14000E+00 ppm1 8.062 ppm2 1.462 ASSI ( (( segid " " and resid 1656 and name HD22)) )( (( segid " " and resid 1655 and name HB2 )) ) 6.000 6.000 0.000 peak 2351 weight 0.10000E+01 volume 0.18300E+00 ppm1 6.952 ppm2 1.459 ASSI ( (( segid " " and resid 1656 and name HD21)) )( (( segid " " and resid 1656 and name HA )) ) 6.000 6.000 0.000 peak 2358 weight 0.10000E+01 volume 0.16100E+00 ppm1 8.063 ppm2 4.833 ASSI ( (( segid " " and resid 1656 and name HD22)) )( (( segid " " and resid 1656 and name HA )) ) 6.000 6.000 0.000 peak 2359 weight 0.10000E+01 volume 0.10400E+00 ppm1 6.946 ppm2 4.820 ASSI ( (( segid " " and resid 1656 and name HD21)) )( (( segid " " and resid 1656 and name HB1 )) ) 3.300 3.300 0.000 peak 2348 weight 0.10000E+01 volume 0.17910E+01 ppm1 8.061 ppm2 2.792 ASSI ( (( segid " " and resid 1656 and name HD21)) )( (( segid " " and resid 1656 and name HB2 )) ) 3.300 3.300 0.000 peak 2349 weight 0.10000E+01 volume 0.15010E+01 ppm1 8.060 ppm2 2.700 ASSI ( (( segid " " and resid 1656 and name HD22)) )( (( segid " " and resid 1656 and name HB2 )) ) 5.000 5.000 0.000 peak 2347 weight 0.10000E+01 volume 0.10640E+01 ppm1 6.947 ppm2 2.699 ASSI ( (( segid " " and resid 1656 and name HD22)) )( (( segid " " and resid 1656 and name HN )) ) 5.000 5.000 0.000 peak 2356 weight 0.10000E+01 volume 0.34300E+00 ppm1 6.953 ppm2 8.519 ASSI ( (( segid " " and resid 1657 and name HN )) )( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) ) 5.000 5.000 0.000 peak 1831 weight 0.10000E+01 volume 0.42400E+00 ppm1 7.887 ppm2 1.148 ASSI ( (( segid " " and resid 1657 and name HN )) )( (( segid " " and resid 1655 and name HN )) ) 5.000 5.000 0.000 peak 1835 weight 0.10000E+01 volume 0.33100E+00 ppm1 7.884 ppm2 8.249 ASSI ( (( segid " " and resid 1657 and name HN )) )( (( segid " " and resid 1656 and name HA )) ) 5.000 5.000 0.000 peak 1833 weight 0.10000E+01 volume 0.59800E+00 ppm1 7.885 ppm2 4.814 ASSI ( (( segid " " and resid 1657 and name HN )) )( (( segid " " and resid 1656 and name HB1 )) ) 5.000 5.000 0.000 peak 1829 weight 0.10000E+01 volume 0.70000E+00 ppm1 7.886 ppm2 2.791 ASSI ( (( segid " " and resid 1657 and name HN )) )( (( segid " " and resid 1656 and name HB2 )) ) 5.000 5.000 0.000 peak 1830 weight 0.10000E+01 volume 0.56000E+00 ppm1 7.887 ppm2 2.676 ASSI ( (( segid " " and resid 1657 and name HN )) )( (( segid " " and resid 1657 and name HA2 )) OR (( segid " " and resid 1657 and name HA1 )) ) 2.700 2.700 0.000 peak 1827 weight 0.10000E+01 volume 0.51420E+01 ppm1 7.888 ppm2 3.997 ASSI ( (( segid " " and resid 1657 and name HN )) )( (( segid " " and resid 1658 and name HN )) ) 5.000 5.000 0.000 peak 1836 weight 0.10000E+01 volume 0.91700E+00 ppm1 7.887 ppm2 8.031 ASSI ( (( segid " " and resid 1658 and name HN )) )( (( segid " " and resid 1653 and name HA )) ) 5.000 5.000 0.000 peak 4756 weight 0.10000E+01 volume 0.38100E+00 ppm1 8.041 ppm2 3.811 ASSI ( (( segid " " and resid 1658 and name HN )) )( (( segid " " and resid 1653 and name HG12)) OR (( segid " " and resid 1653 and name HG11)) ) 6.000 6.000 0.000 peak 4755 weight 0.10000E+01 volume 0.18900E+00 ppm1 8.048 ppm2 1.148 ASSI ( (( segid " " and resid 1658 and name HN )) )( (( segid " " and resid 1657 and name HA2 )) OR (( segid " " and resid 1657 and name HA1 )) ) 2.700 2.700 0.000 peak 1824 weight 0.10000E+01 volume 0.63000E+01 ppm1 8.045 ppm2 4.007 ASSI ( (( segid " " and resid 1658 and name HN )) )( (( segid " " and resid 1658 and name HA )) ) 3.300 3.300 0.000 peak 1823 weight 0.10000E+01 volume 0.19300E+01 ppm1 8.046 ppm2 4.630 ASSI ( (( segid " " and resid 1658 and name HN )) )( (( segid " " and resid 1658 and name HB1 )) ) 3.300 3.300 0.000 peak 1825 weight 0.10000E+01 volume 0.15770E+01 ppm1 8.043 ppm2 3.147 ASSI ( (( segid " " and resid 1658 and name HN )) )( (( segid " " and resid 1658 and name HB2 )) ) 3.300 3.300 0.000 peak 1826 weight 0.10000E+01 volume 0.29910E+01 ppm1 8.044 ppm2 2.649
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