NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type | subtype | subsubtype |
1867 | 1b2t | 4397 | cing | recoord | dress | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI ( (segid " " and resid "0 " and name "HB2 ") OR (segid " " and resid "0 " and name "HB1 ") )( (segid " " and resid "0 " and name "HA ") ) 6.000 6.000 0.000 peak 1698 weight 0.10000E+01 volume -0.19100E+00 ppm1 2.071 ppm2 4.079 ASSI ( (segid " " and resid "0 " and name "HB2 ") OR (segid " " and resid "0 " and name "HB1 ") )( (segid " " and resid "0 " and name "HG1 ") ) 5.000 5.000 0.000 peak 1699 weight 0.10000E+01 volume -0.13590E+01 ppm1 2.070 ppm2 2.499 ASSI ( (segid " " and resid "0 " and name "HB2 ") OR (segid " " and resid "0 " and name "HB1 ") )( (segid " " and resid "0 " and name "HG2 ") ) 5.000 5.000 0.000 peak 1700 weight 0.10000E+01 volume -0.80000E+00 ppm1 2.070 ppm2 2.431 ASSI ( (segid " " and resid "1 " and name "HA ") )( (segid " " and resid "1 " and name "HB2 ") OR (segid " " and resid "1 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4509 weight 0.10000E+01 volume 0.50200E+00 ppm1 4.294 ppm2 1.891 ASSI ( (segid " " and resid "2 " and name "HB1 ") )( (segid " " and resid "2 " and name "HA ") ) 6.000 6.000 0.000 peak 1703 weight 0.10000E+01 volume 0.14300E+00 ppm1 3.149 ppm2 4.602 ASSI ( (segid " " and resid "3 " and name "HB1 ") )( (segid " " and resid "3 " and name "HA ") ) 6.000 6.000 0.000 peak 1704 weight 0.10000E+01 volume 0.21100E+00 ppm1 3.217 ppm2 4.687 ASSI ( (segid " " and resid "3 " and name "HB2 ") )( (segid " " and resid "3 " and name "HA ") ) 6.000 6.000 0.000 peak 1705 weight 0.10000E+01 volume 0.23400E+00 ppm1 3.109 ppm2 4.692 ASSI ( (segid " " and resid "5 " and name "HA ") )( (segid " " and resid "5 " and name "HB ") ) 5.000 5.000 0.000 peak 1710 weight 0.10000E+01 volume 0.62300E+00 ppm1 4.172 ppm2 2.041 ASSI ( (segid " " and resid "5 " and name "HG13") OR (segid " " and resid "5 " and name "HG12") OR (segid " " and resid "5 " and name "HG11") )( (segid " " and resid "5 " and name "HA ") ) 5.000 5.000 0.000 peak 1720 weight 0.10000E+01 volume 0.78900E+00 ppm1 0.878 ppm2 4.177 ASSI ( (segid " " and resid "5 " and name "HG13") OR (segid " " and resid "5 " and name "HG12") OR (segid " " and resid "5 " and name "HG11") )( (segid " " and resid "5 " and name "HB ") ) 5.000 5.000 0.000 peak 1717 weight 0.10000E+01 volume 0.13360E+01 ppm1 0.881 ppm2 2.031 ASSI ( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG22") OR (segid " " and resid "5 " and name "HG21") )( (segid " " and resid "5 " and name "HA ") ) 5.000 5.000 0.000 peak 1725 weight 0.10000E+01 volume 0.54400E+00 ppm1 0.879 ppm2 4.177 ASSI ( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG22") OR (segid " " and resid "5 " and name "HG21") )( (segid " " and resid "5 " and name "HB ") ) 5.000 5.000 0.000 peak 1724 weight 0.10000E+01 volume 0.94500E+00 ppm1 0.878 ppm2 2.030 ASSI ( (segid " " and resid "6 " and name "HA ") )( (segid " " and resid "6 " and name "HB ") ) 3.300 3.300 0.000 peak 1730 weight 0.10000E+01 volume 0.18330E+01 ppm1 4.260 ppm2 4.060 ASSI ( (segid " " and resid "6 " and name "HB ") )( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") ) 3.300 3.300 0.000 peak 1732 weight 0.10000E+01 volume 0.16350E+01 ppm1 4.050 ppm2 1.112 ASSI ( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") )( (segid " " and resid "6 " and name "HA ") ) 3.300 3.300 0.000 peak 1738 weight 0.10000E+01 volume 0.15530E+01 ppm1 1.108 ppm2 4.268 ASSI ( (segid " " and resid "7 " and name "HA ") )( (segid " " and resid "7 " and name "HG2 ") OR (segid " " and resid "7 " and name "HG1 ") ) 5.000 5.000 0.000 peak 1744 weight 0.10000E+01 volume 0.53100E+00 ppm1 4.248 ppm2 1.295 ASSI ( (segid " " and resid "7 " and name "HB1 ") )( (segid " " and resid "7 " and name "HA ") ) 5.000 5.000 0.000 peak 1747 weight 0.10000E+01 volume 0.43600E+00 ppm1 1.723 ppm2 4.260 ASSI ( (segid " " and resid "7 " and name "HB2 ") )( (segid " " and resid "7 " and name "HA ") ) 5.000 5.000 0.000 peak 1750 weight 0.10000E+01 volume 0.51500E+00 ppm1 1.661 ppm2 4.256 ASSI ( (segid " " and resid "7 " and name "HB2 ") )( (segid " " and resid "7 " and name "HG2 ") OR (segid " " and resid "7 " and name "HG1 ") ) 6.000 6.000 0.000 peak 1749 weight 0.10000E+01 volume 0.26400E+00 ppm1 1.659 ppm2 1.302 ASSI ( (segid " " and resid "7 " and name "HD2 ") OR (segid " " and resid "7 " and name "HD1 ") )( (segid " " and resid "7 " and name "HA ") ) 6.000 6.000 0.000 peak 1757 weight 0.10000E+01 volume 0.26900E+00 ppm1 1.597 ppm2 4.258 ASSI ( (segid " " and resid "7 " and name "HD2 ") OR (segid " " and resid "7 " and name "HD1 ") )( (segid " " and resid "7 " and name "HE2 ") OR (segid " " and resid "7 " and name "HE1 ") ) 5.000 5.000 0.000 peak 8435 weight 0.10000E+01 volume 0.57700E+00 ppm1 1.597 ppm2 2.917 ASSI ( (segid " " and resid "7 " and name "HE2 ") OR (segid " " and resid "7 " and name "HE1 ") )( (segid " " and resid "7 " and name "HG2 ") OR (segid " " and resid "7 " and name "HG1 ") ) 5.000 5.000 0.000 peak 1758 weight 0.10000E+01 volume 0.55900E+00 ppm1 2.908 ppm2 1.295 ASSI ( (segid " " and resid "7 " and name "HG2 ") OR (segid " " and resid "7 " and name "HG1 ") )( (segid " " and resid "7 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3705 weight 0.10000E+01 volume 0.17520E+01 ppm1 1.292 ppm2 1.721 ASSI ( (segid " " and resid "7 " and name "HG2 ") OR (segid " " and resid "7 " and name "HG1 ") )( (segid " " and resid "7 " and name "HD2 ") OR (segid " " and resid "7 " and name "HD1 ") ) 3.300 3.300 0.000 peak 3707 weight 0.10000E+01 volume 0.28960E+01 ppm1 1.291 ppm2 1.601 ASSI ( (segid " " and resid "8 " and name "HA ") )( (segid " " and resid "8 " and name "HB1 ") ) 5.000 5.000 0.000 peak 1760 weight 0.10000E+01 volume 0.12920E+01 ppm1 4.606 ppm2 2.928 ASSI ( (segid " " and resid "8 " and name "HA ") )( (segid " " and resid "8 " and name "HB2 ") ) 5.000 5.000 0.000 peak 1759 weight 0.10000E+01 volume 0.96100E+00 ppm1 4.604 ppm2 2.632 ASSI ( (segid " " and resid "8 " and name "HB2 ") )( (segid " " and resid "8 " and name "HB1 ") ) 2.700 2.700 0.000 peak 1775 weight 0.10000E+01 volume 0.35400E+01 ppm1 2.624 ppm2 2.942 ASSI ( (segid " " and resid "9 " and name "HA ") )( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") ) 2.700 2.700 0.000 peak 1785 weight 0.10000E+01 volume 0.39880E+01 ppm1 4.449 ppm2 2.717 ASSI ( (segid " " and resid "10 " and name "HA ") )( (segid " " and resid "10 " and name "HB ") ) 3.300 3.300 0.000 peak 1804 weight 0.10000E+01 volume 0.17110E+01 ppm1 4.224 ppm2 1.734 ASSI ( (segid " " and resid "10 " and name "HA ") )( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") ) 3.300 3.300 0.000 peak 1802 weight 0.10000E+01 volume 0.17320E+01 ppm1 4.223 ppm2 0.753 ASSI ( (segid " " and resid "10 " and name "HA ") )( (segid " " and resid "10 " and name "HG11") ) 5.000 5.000 0.000 peak 1800 weight 0.10000E+01 volume 0.12590E+01 ppm1 4.224 ppm2 1.464 ASSI ( (segid " " and resid "10 " and name "HA ") )( (segid " " and resid "10 " and name "HG12") ) 5.000 5.000 0.000 peak 1801 weight 0.10000E+01 volume 0.82500E+00 ppm1 4.224 ppm2 0.837 ASSI ( (segid " " and resid "10 " and name "HA ") )( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 3.300 3.300 0.000 peak 1803 weight 0.10000E+01 volume 0.15130E+01 ppm1 4.223 ppm2 0.721 ASSI ( (segid " " and resid "10 " and name "HB ") )( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") ) 2.700 2.700 0.000 peak 1811 weight 0.10000E+01 volume 0.52000E+01 ppm1 1.728 ppm2 0.750 ASSI ( (segid " " and resid "10 " and name "HB ") )( (segid " " and resid "10 " and name "HG11") ) 5.000 5.000 0.000 peak 1813 weight 0.10000E+01 volume 0.10970E+01 ppm1 1.728 ppm2 1.461 ASSI ( (segid " " and resid "10 " and name "HB ") )( (segid " " and resid "10 " and name "HG12") ) 5.000 5.000 0.000 peak 1809 weight 0.10000E+01 volume 0.12690E+01 ppm1 1.728 ppm2 0.835 ASSI ( (segid " " and resid "10 " and name "HB ") )( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 2.700 2.700 0.000 peak 1810 weight 0.10000E+01 volume 0.47040E+01 ppm1 1.728 ppm2 0.716 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "10 " and name "HG11") ) 2.700 2.700 0.000 peak 1854 weight 0.10000E+01 volume 0.39600E+01 ppm1 0.751 ppm2 1.456 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "10 " and name "HG12") ) 2.700 2.700 0.000 peak 6660 weight 0.10000E+01 volume 0.77640E+01 ppm1 0.749 ppm2 0.836 ASSI ( (segid " " and resid "10 " and name "HG12") )( (segid " " and resid "10 " and name "HG11") ) 2.700 2.700 0.000 peak 1827 weight 0.10000E+01 volume 0.39560E+01 ppm1 0.832 ppm2 1.460 ASSI ( (segid " " and resid "11 " and name "HA ") )( (segid " " and resid "11 " and name "HB ") ) 5.000 5.000 0.000 peak 1878 weight 0.10000E+01 volume 0.10950E+01 ppm1 4.482 ppm2 3.914 ASSI ( (segid " " and resid "11 " and name "HB ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 3.300 3.300 0.000 peak 1883 weight 0.10000E+01 volume 0.25360E+01 ppm1 3.900 ppm2 1.014 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "11 " and name "HA ") ) 3.300 3.300 0.000 peak 1897 weight 0.10000E+01 volume 0.16980E+01 ppm1 1.007 ppm2 4.489 ASSI ( (segid " " and resid "12 " and name "HA ") )( (segid " " and resid "12 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4441 weight 0.10000E+01 volume 0.98000E+00 ppm1 5.054 ppm2 2.630 ASSI ( (segid " " and resid "12 " and name "HA ") )( (segid " " and resid "12 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4442 weight 0.10000E+01 volume 0.12010E+01 ppm1 5.054 ppm2 3.035 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "12 " and name "HB1 ") ) 2.700 2.700 0.000 peak 1907 weight 0.10000E+01 volume 0.32000E+01 ppm1 3.031 ppm2 2.630 ASSI ( (segid " " and resid "13 " and name "HA ") )( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") ) 2.700 2.700 0.000 peak 1931 weight 0.10000E+01 volume 0.35620E+01 ppm1 4.373 ppm2 3.838 ASSI ( (segid " " and resid "14 " and name "HA ") )( (segid " " and resid "14 " and name "HB1 ") ) 3.300 3.300 0.000 peak 1947 weight 0.10000E+01 volume 0.15480E+01 ppm1 4.477 ppm2 1.852 ASSI ( (segid " " and resid "14 " and name "HA ") )( (segid " " and resid "14 " and name "HB2 ") ) 5.000 5.000 0.000 peak 1948 weight 0.10000E+01 volume 0.12610E+01 ppm1 4.477 ppm2 1.785 ASSI ( (segid " " and resid "14 " and name "HA ") )( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") ) 5.000 5.000 0.000 peak 1945 weight 0.10000E+01 volume 0.73000E+00 ppm1 4.480 ppm2 1.419 ASSI ( (segid " " and resid "14 " and name "HB1 ") )( (segid " " and resid "14 " and name "HD2 ") OR (segid " " and resid "14 " and name "HD1 ") ) 3.300 3.300 0.000 peak 6784 weight 0.10000E+01 volume 0.20120E+01 ppm1 1.841 ppm2 1.698 ASSI ( (segid " " and resid "14 " and name "HB2 ") )( (segid " " and resid "14 " and name "HD2 ") OR (segid " " and resid "14 " and name "HD1 ") ) 5.000 5.000 0.000 peak 6785 weight 0.10000E+01 volume 0.12540E+01 ppm1 1.780 ppm2 1.705 ASSI ( (segid " " and resid "14 " and name "HB1 ") )( (segid " " and resid "14 " and name "HE2 ") OR (segid " " and resid "14 " and name "HE1 ") ) 6.000 6.000 0.000 peak 1955 weight 0.10000E+01 volume 0.59000E-01 ppm1 1.837 ppm2 3.023 ASSI ( (segid " " and resid "14 " and name "HB2 ") )( (segid " " and resid "14 " and name "HE2 ") OR (segid " " and resid "14 " and name "HE1 ") ) 6.000 6.000 0.000 peak 1964 weight 0.10000E+01 volume 0.64000E-01 ppm1 1.768 ppm2 3.016 ASSI ( (segid " " and resid "14 " and name "HB1 ") )( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") ) 5.000 5.000 0.000 peak 1953 weight 0.10000E+01 volume 0.11190E+01 ppm1 1.840 ppm2 1.417 ASSI ( (segid " " and resid "14 " and name "HB2 ") )( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") ) 5.000 5.000 0.000 peak 1959 weight 0.10000E+01 volume 0.11170E+01 ppm1 1.782 ppm2 1.422 ASSI ( (segid " " and resid "14 " and name "HD2 ") OR (segid " " and resid "14 " and name "HD1 ") )( (segid " " and resid "14 " and name "HA ") ) 5.000 5.000 0.000 peak 1978 weight 0.10000E+01 volume 0.30800E+00 ppm1 1.700 ppm2 4.486 ASSI ( (segid " " and resid "14 " and name "HD2 ") OR (segid " " and resid "14 " and name "HD1 ") )( (segid " " and resid "14 " and name "HE2 ") OR (segid " " and resid "14 " and name "HE1 ") ) 5.000 5.000 0.000 peak 1977 weight 0.10000E+01 volume 0.52100E+00 ppm1 1.703 ppm2 3.008 ASSI ( (segid " " and resid "14 " and name "HD2 ") OR (segid " " and resid "14 " and name "HD1 ") )( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") ) 2.700 2.700 0.000 peak 1976 weight 0.10000E+01 volume 0.33330E+01 ppm1 1.703 ppm2 1.426 ASSI ( (segid " " and resid "14 " and name "HE2 ") OR (segid " " and resid "14 " and name "HE1 ") )( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") ) 3.300 3.300 0.000 peak 6717 weight 0.10000E+01 volume 0.17190E+01 ppm1 3.003 ppm2 1.425 ASSI ( (segid " " and resid "15 " and name "HB1 ") )( (segid " " and resid "15 " and name "HA ") ) 6.000 6.000 0.000 peak 1984 weight 0.10000E+01 volume 0.65000E-01 ppm1 2.275 ppm2 4.838 ASSI ( (segid " " and resid "15 " and name "HB2 ") )( (segid " " and resid "15 " and name "HA ") ) 6.000 6.000 0.000 peak 1995 weight 0.10000E+01 volume 0.27000E-01 ppm1 2.143 ppm2 4.836 ASSI ( (segid " " and resid "15 " and name "HB1 ") )( (segid " " and resid "15 " and name "HG1 ") ) 5.000 5.000 0.000 peak 1982 weight 0.10000E+01 volume 0.30100E+00 ppm1 2.278 ppm2 2.881 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "15 " and name "HA ") ) 5.000 5.000 0.000 peak 5786 weight 0.10000E+01 volume 0.11600E+01 ppm1 1.918 ppm2 4.820 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "15 " and name "HG1 ") ) 5.000 5.000 0.000 peak 6795 weight 0.10000E+01 volume 0.14870E+01 ppm1 1.917 ppm2 2.876 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "15 " and name "HG2 ") ) 3.300 3.300 0.000 peak 6794 weight 0.10000E+01 volume 0.24560E+01 ppm1 1.919 ppm2 2.549 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "15 " and name "HA ") ) 5.000 5.000 0.000 peak 2009 weight 0.10000E+01 volume 0.41900E+00 ppm1 2.869 ppm2 4.824 ASSI ( (segid " " and resid "15 " and name "HG2 ") )( (segid " " and resid "15 " and name "HA ") ) 5.000 5.000 0.000 peak 2018 weight 0.10000E+01 volume 0.42500E+00 ppm1 2.543 ppm2 4.829 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "15 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2003 weight 0.10000E+01 volume 0.11570E+01 ppm1 2.871 ppm2 2.155 ASSI ( (segid " " and resid "15 " and name "HG2 ") )( (segid " " and resid "15 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2014 weight 0.10000E+01 volume 0.13720E+01 ppm1 2.544 ppm2 2.155 ASSI ( (segid " " and resid "15 " and name "HG2 ") )( (segid " " and resid "15 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2015 weight 0.10000E+01 volume 0.25970E+01 ppm1 2.544 ppm2 2.881 ASSI ( (segid " " and resid "16 " and name "HA ") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 5.000 5.000 0.000 peak 2022 weight 0.10000E+01 volume 0.64300E+00 ppm1 4.472 ppm2 1.397 ASSI ( (segid " " and resid "16 " and name "HB ") )( (segid " " and resid "16 " and name "HA ") ) 3.300 3.300 0.000 peak 2035 weight 0.10000E+01 volume 0.19560E+01 ppm1 4.293 ppm2 4.476 ASSI ( (segid " " and resid "16 " and name "HB ") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 3.300 3.300 0.000 peak 2032 weight 0.10000E+01 volume 0.23070E+01 ppm1 4.296 ppm2 1.405 ASSI ( (segid " " and resid "17 " and name "HA ") )( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") ) 2.700 2.700 0.000 peak 2023 weight 0.10000E+01 volume 0.39460E+01 ppm1 4.546 ppm2 3.817 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "18 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2085 weight 0.10000E+01 volume 0.11100E+01 ppm1 0.675 ppm2 0.784 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "18 " and name "HG1 ") ) 5.000 5.000 0.000 peak 6832 weight 0.10000E+01 volume 0.99100E+00 ppm1 0.674 ppm2 0.378 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "18 " and name "HG2 ") ) 5.000 5.000 0.000 peak 2083 weight 0.10000E+01 volume 0.57500E+00 ppm1 0.674 ppm2 0.200 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "18 " and name "HA ") ) 3.300 3.300 0.000 peak 2108 weight 0.10000E+01 volume 0.16340E+01 ppm1 0.440 ppm2 0.681 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "18 " and name "HB1 ") ) 3.300 3.300 0.000 peak 2109 weight 0.10000E+01 volume 0.29370E+01 ppm1 0.441 ppm2 0.776 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "18 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2101 weight 0.10000E+01 volume 0.72600E+00 ppm1 0.772 ppm2 1.294 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "18 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2111 weight 0.10000E+01 volume 0.77700E+00 ppm1 0.439 ppm2 1.293 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "18 " and name "HD2 ") ) 5.000 5.000 0.000 peak 2100 weight 0.10000E+01 volume 0.66200E+00 ppm1 0.772 ppm2 1.258 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "18 " and name "HD2 ") ) 5.000 5.000 0.000 peak 2112 weight 0.10000E+01 volume 0.62400E+00 ppm1 0.438 ppm2 1.256 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2102 weight 0.10000E+01 volume 0.15900E+00 ppm1 0.770 ppm2 2.744 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2113 weight 0.10000E+01 volume 0.16300E+00 ppm1 0.436 ppm2 2.746 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "18 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2098 weight 0.10000E+01 volume 0.16310E+01 ppm1 0.771 ppm2 0.378 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "18 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2107 weight 0.10000E+01 volume 0.20080E+01 ppm1 0.440 ppm2 0.377 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "18 " and name "HG2 ") ) 5.000 5.000 0.000 peak 2096 weight 0.10000E+01 volume 0.10810E+01 ppm1 0.772 ppm2 0.193 ASSI ( (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "18 " and name "HA ") ) 6.000 6.000 0.000 peak 2148 weight 0.10000E+01 volume 0.27000E+00 ppm1 1.291 ppm2 0.680 ASSI ( (segid " " and resid "18 " and name "HD2 ") )( (segid " " and resid "18 " and name "HA ") ) 6.000 6.000 0.000 peak 2156 weight 0.10000E+01 volume 0.27000E+00 ppm1 1.255 ppm2 0.680 ASSI ( (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") ) 5.000 5.000 0.000 peak 2149 weight 0.10000E+01 volume 0.88600E+00 ppm1 1.293 ppm2 2.752 ASSI ( (segid " " and resid "18 " and name "HD2 ") )( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") ) 5.000 5.000 0.000 peak 2158 weight 0.10000E+01 volume 0.86300E+00 ppm1 1.255 ppm2 2.753 ASSI ( (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "18 " and name "HG1 ") ) 5.000 5.000 0.000 peak 2145 weight 0.10000E+01 volume 0.13150E+01 ppm1 1.292 ppm2 0.376 ASSI ( (segid " " and resid "18 " and name "HD2 ") )( (segid " " and resid "18 " and name "HG1 ") ) 5.000 5.000 0.000 peak 2154 weight 0.10000E+01 volume 0.12890E+01 ppm1 1.255 ppm2 0.377 ASSI ( (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "18 " and name "HG2 ") ) 5.000 5.000 0.000 peak 2144 weight 0.10000E+01 volume 0.98500E+00 ppm1 1.290 ppm2 0.193 ASSI ( (segid " " and resid "18 " and name "HD2 ") )( (segid " " and resid "18 " and name "HG2 ") ) 5.000 5.000 0.000 peak 2153 weight 0.10000E+01 volume 0.96500E+00 ppm1 1.255 ppm2 0.195 ASSI ( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") )( (segid " " and resid "18 " and name "HG1 ") ) 5.000 5.000 0.000 peak 2166 weight 0.10000E+01 volume 0.58100E+00 ppm1 2.743 ppm2 0.386 ASSI ( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") )( (segid " " and resid "18 " and name "HG2 ") ) 5.000 5.000 0.000 peak 2165 weight 0.10000E+01 volume 0.65300E+00 ppm1 2.742 ppm2 0.205 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "18 " and name "HB2 ") ) 3.300 3.300 0.000 peak 2133 weight 0.10000E+01 volume 0.27070E+01 ppm1 0.186 ppm2 0.443 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "18 " and name "HG1 ") ) 2.700 2.700 0.000 peak 2132 weight 0.10000E+01 volume 0.39660E+01 ppm1 0.187 ppm2 0.376 ASSI ( (segid " " and resid "19 " and name "HA ") )( (segid " " and resid "19 " and name "HB ") ) 5.000 5.000 0.000 peak 2178 weight 0.10000E+01 volume 0.71100E+00 ppm1 4.141 ppm2 1.318 ASSI ( (segid " " and resid "19 " and name "HA ") )( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 5.000 5.000 0.000 peak 2173 weight 0.10000E+01 volume 0.44500E+00 ppm1 4.141 ppm2 0.247 ASSI ( (segid " " and resid "19 " and name "HA ") )( (segid " " and resid "19 " and name "HG11") ) 5.000 5.000 0.000 peak 2179 weight 0.10000E+01 volume 0.10540E+01 ppm1 4.139 ppm2 1.465 ASSI ( (segid " " and resid "19 " and name "HA ") )( (segid " " and resid "19 " and name "HG12") ) 5.000 5.000 0.000 peak 2174 weight 0.10000E+01 volume 0.82100E+00 ppm1 4.140 ppm2 0.539 ASSI ( (segid " " and resid "19 " and name "HA ") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 3.300 3.300 0.000 peak 2175 weight 0.10000E+01 volume 0.16540E+01 ppm1 4.141 ppm2 0.750 ASSI ( (segid " " and resid "19 " and name "HB ") )( (segid " " and resid "19 " and name "HG11") ) 5.000 5.000 0.000 peak 2189 weight 0.10000E+01 volume 0.12470E+01 ppm1 1.312 ppm2 1.469 ASSI ( (segid " " and resid "19 " and name "HB ") )( (segid " " and resid "19 " and name "HG12") ) 5.000 5.000 0.000 peak 2186 weight 0.10000E+01 volume 0.73800E+00 ppm1 1.312 ppm2 0.536 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "19 " and name "HB ") ) 2.700 2.700 0.000 peak 2249 weight 0.10000E+01 volume 0.32340E+01 ppm1 0.243 ppm2 1.319 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "19 " and name "HG11") ) 2.700 2.700 0.000 peak 2250 weight 0.10000E+01 volume 0.30140E+01 ppm1 0.242 ppm2 1.469 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "19 " and name "HG12") ) 2.700 2.700 0.000 peak 2244 weight 0.10000E+01 volume 0.36070E+01 ppm1 0.242 ppm2 0.534 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 2.700 2.700 0.000 peak 2245 weight 0.10000E+01 volume 0.45540E+01 ppm1 0.242 ppm2 0.748 ASSI ( (segid " " and resid "19 " and name "HG12") )( (segid " " and resid "19 " and name "HG11") ) 2.700 2.700 0.000 peak 2219 weight 0.10000E+01 volume 0.40570E+01 ppm1 0.525 ppm2 1.465 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "19 " and name "HB ") ) 2.700 2.700 0.000 peak 2232 weight 0.10000E+01 volume 0.37340E+01 ppm1 0.745 ppm2 1.324 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "19 " and name "HG11") ) 3.300 3.300 0.000 peak 2233 weight 0.10000E+01 volume 0.16450E+01 ppm1 0.744 ppm2 1.471 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "19 " and name "HG12") ) 3.300 3.300 0.000 peak 2227 weight 0.10000E+01 volume 0.15200E+01 ppm1 0.744 ppm2 0.535 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "20 " and name "HB1 ") ) 3.300 3.300 0.000 peak 2271 weight 0.10000E+01 volume 0.17750E+01 ppm1 4.118 ppm2 2.276 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "20 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2274 weight 0.10000E+01 volume 0.22300E+00 ppm1 4.119 ppm2 3.602 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "20 " and name "HD2 ") ) 6.000 6.000 0.000 peak 2272 weight 0.10000E+01 volume 0.17800E+00 ppm1 4.119 ppm2 3.442 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "20 " and name "HG1 ") ) 5.000 5.000 0.000 peak 2270 weight 0.10000E+01 volume 0.75400E+00 ppm1 4.119 ppm2 1.971 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "20 " and name "HA ") ) 3.300 3.300 0.000 peak 2298 weight 0.10000E+01 volume 0.17100E+01 ppm1 1.762 ppm2 4.133 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "20 " and name "HB1 ") ) 2.700 2.700 0.000 peak 2294 weight 0.10000E+01 volume 0.50620E+01 ppm1 1.763 ppm2 2.282 ASSI ( (segid " " and resid "20 " and name "HB1 ") )( (segid " " and resid "20 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2286 weight 0.10000E+01 volume 0.45900E+00 ppm1 2.269 ppm2 3.603 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "20 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2297 weight 0.10000E+01 volume 0.13250E+01 ppm1 1.763 ppm2 3.613 ASSI ( (segid " " and resid "20 " and name "HB1 ") )( (segid " " and resid "20 " and name "HD2 ") ) 5.000 5.000 0.000 peak 2285 weight 0.10000E+01 volume 0.52300E+00 ppm1 2.268 ppm2 3.446 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "20 " and name "HD2 ") ) 5.000 5.000 0.000 peak 2296 weight 0.10000E+01 volume 0.82500E+00 ppm1 1.761 ppm2 3.448 ASSI ( (segid " " and resid "20 " and name "HB1 ") )( (segid " " and resid "20 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2284 weight 0.10000E+01 volume 0.21350E+01 ppm1 2.272 ppm2 1.991 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "20 " and name "HG1 ") ) 2.700 2.700 0.000 peak 2293 weight 0.10000E+01 volume 0.37250E+01 ppm1 1.763 ppm2 1.982 ASSI ( (segid " " and resid "20 " and name "HB1 ") )( (segid " " and resid "20 " and name "HG2 ") ) 2.700 2.700 0.000 peak 2283 weight 0.10000E+01 volume 0.61060E+01 ppm1 2.270 ppm2 1.805 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "20 " and name "HG2 ") ) 2.700 2.700 0.000 peak 6978 weight 0.10000E+01 volume 0.92770E+01 ppm1 1.757 ppm2 1.811 ASSI ( (segid " " and resid "20 " and name "HD2 ") )( (segid " " and resid "20 " and name "HD1 ") ) 2.700 2.700 0.000 peak 2351 weight 0.10000E+01 volume 0.48390E+01 ppm1 3.439 ppm2 3.605 ASSI ( (segid " " and resid "20 " and name "HD1 ") )( (segid " " and resid "20 " and name "HG1 ") ) 5.000 5.000 0.000 peak 2332 weight 0.10000E+01 volume 0.14190E+01 ppm1 3.596 ppm2 1.984 ASSI ( (segid " " and resid "20 " and name "HD2 ") )( (segid " " and resid "20 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2349 weight 0.10000E+01 volume 0.15200E+01 ppm1 3.436 ppm2 1.987 ASSI ( (segid " " and resid "20 " and name "HD1 ") )( (segid " " and resid "20 " and name "HG2 ") ) 3.300 3.300 0.000 peak 2331 weight 0.10000E+01 volume 0.17210E+01 ppm1 3.596 ppm2 1.808 ASSI ( (segid " " and resid "20 " and name "HD2 ") )( (segid " " and resid "20 " and name "HG2 ") ) 3.300 3.300 0.000 peak 2348 weight 0.10000E+01 volume 0.20850E+01 ppm1 3.438 ppm2 1.806 ASSI ( (segid " " and resid "20 " and name "HG2 ") )( (segid " " and resid "20 " and name "HG1 ") ) 2.700 2.700 0.000 peak 6995 weight 0.10000E+01 volume 0.54960E+01 ppm1 1.806 ppm2 1.983 ASSI ( (segid " " and resid "21 " and name "HA ") )( (segid " " and resid "21 " and name "HB ") ) 3.300 3.300 0.000 peak 2360 weight 0.10000E+01 volume 0.25330E+01 ppm1 3.674 ppm2 1.939 ASSI ( (segid " " and resid "21 " and name "HA ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 3.300 3.300 0.000 peak 2356 weight 0.10000E+01 volume 0.15970E+01 ppm1 3.673 ppm2 0.807 ASSI ( (segid " " and resid "21 " and name "HA ") )( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 5.000 5.000 0.000 peak 2355 weight 0.10000E+01 volume 0.97400E+00 ppm1 3.673 ppm2 0.721 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 3.300 3.300 0.000 peak 2370 weight 0.10000E+01 volume 0.15670E+01 ppm1 1.942 ppm2 0.817 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "21 " and name "HB ") ) 3.300 3.300 0.000 peak 2400 weight 0.10000E+01 volume 0.18750E+01 ppm1 0.716 ppm2 1.937 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") ) 2.700 2.700 0.000 peak 2419 weight 0.10000E+01 volume 0.46980E+01 ppm1 4.166 ppm2 1.346 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") ) 3.300 3.300 0.000 peak 2434 weight 0.10000E+01 volume 0.28230E+01 ppm1 4.245 ppm2 1.710 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") ) 2.700 2.700 0.000 peak 2476 weight 0.10000E+01 volume 0.34410E+01 ppm1 1.697 ppm2 0.881 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") ) 2.700 2.700 0.000 peak 2475 weight 0.10000E+01 volume 0.32580E+01 ppm1 1.698 ppm2 0.821 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "23 " and name "HG ") ) 2.700 2.700 0.000 peak 8555 weight 0.10000E+01 volume 0.52700E+01 ppm1 1.706 ppm2 1.627 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "23 " and name "HA ") ) 5.000 5.000 0.000 peak 2459 weight 0.10000E+01 volume 0.76800E+00 ppm1 0.873 ppm2 4.252 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "23 " and name "HG ") ) 2.700 2.700 0.000 peak 3341 weight 0.10000E+01 volume 0.32810E+01 ppm1 0.874 ppm2 1.622 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "23 " and name "HA ") ) 2.700 2.700 0.000 peak 2467 weight 0.10000E+01 volume 0.33320E+01 ppm1 0.816 ppm2 4.251 ASSI ( (segid " " and resid "23 " and name "HG ") )( (segid " " and resid "23 " and name "HA ") ) 5.000 5.000 0.000 peak 2445 weight 0.10000E+01 volume 0.82800E+00 ppm1 1.614 ppm2 4.251 ASSI ( (segid " " and resid "23 " and name "HG ") )( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") ) 2.700 2.700 0.000 peak 2441 weight 0.10000E+01 volume 0.30800E+01 ppm1 1.616 ppm2 0.820 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "24 " and name "HB2 ") ) 2.700 2.700 0.000 peak 2492 weight 0.10000E+01 volume 0.30680E+01 ppm1 2.162 ppm2 1.294 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") ) 3.300 3.300 0.000 peak 2490 weight 0.10000E+01 volume 0.22230E+01 ppm1 2.162 ppm2 0.801 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") ) 3.300 3.300 0.000 peak 2499 weight 0.10000E+01 volume 0.24510E+01 ppm1 1.287 ppm2 0.796 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "24 " and name "HG ") ) 5.000 5.000 0.000 peak 2493 weight 0.10000E+01 volume 0.74600E+00 ppm1 2.164 ppm2 1.914 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "24 " and name "HG ") ) 5.000 5.000 0.000 peak 2502 weight 0.10000E+01 volume 0.69300E+00 ppm1 1.281 ppm2 1.916 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 2528 weight 0.10000E+01 volume 0.27400E+00 ppm1 0.991 ppm2 4.692 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "24 " and name "HB1 ") ) 3.300 3.300 0.000 peak 2523 weight 0.10000E+01 volume 0.15420E+01 ppm1 0.992 ppm2 2.168 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "24 " and name "HB2 ") ) 3.300 3.300 0.000 peak 2520 weight 0.10000E+01 volume 0.19670E+01 ppm1 0.991 ppm2 1.286 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") ) 2.700 2.700 0.000 peak 2518 weight 0.10000E+01 volume 0.67650E+01 ppm1 0.995 ppm2 0.801 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "24 " and name "HG ") ) 3.300 3.300 0.000 peak 2522 weight 0.10000E+01 volume 0.22640E+01 ppm1 0.990 ppm2 1.920 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "24 " and name "HA ") ) 3.300 3.300 0.000 peak 2549 weight 0.10000E+01 volume 0.15210E+01 ppm1 0.793 ppm2 4.687 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "24 " and name "HG ") ) 3.300 3.300 0.000 peak 2545 weight 0.10000E+01 volume 0.16820E+01 ppm1 0.792 ppm2 1.918 ASSI ( (segid " " and resid "24 " and name "HG ") )( (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 2515 weight 0.10000E+01 volume 0.20200E+00 ppm1 1.921 ppm2 4.690 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "25 " and name "HA ") ) 3.300 3.300 0.000 peak 2570 weight 0.10000E+01 volume 0.17280E+01 ppm1 1.768 ppm2 4.700 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") ) 2.700 2.700 0.000 peak 2567 weight 0.10000E+01 volume 0.45150E+01 ppm1 1.767 ppm2 0.700 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "25 " and name "HG11") ) 5.000 5.000 0.000 peak 2568 weight 0.10000E+01 volume 0.10570E+01 ppm1 1.767 ppm2 1.074 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "25 " and name "HG12") ) 5.000 5.000 0.000 peak 2564 weight 0.10000E+01 volume 0.91600E+00 ppm1 1.767 ppm2 0.619 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") ) 2.700 2.700 0.000 peak 2566 weight 0.10000E+01 volume 0.47420E+01 ppm1 1.767 ppm2 0.731 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "25 " and name "HA ") ) 5.000 5.000 0.000 peak 2634 weight 0.10000E+01 volume 0.66700E+00 ppm1 0.699 ppm2 4.700 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "25 " and name "HG11") ) 2.700 2.700 0.000 peak 2621 weight 0.10000E+01 volume 0.36830E+01 ppm1 0.699 ppm2 1.075 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "25 " and name "HG12") ) 2.700 2.700 0.000 peak 2618 weight 0.10000E+01 volume 0.67790E+01 ppm1 0.700 ppm2 0.611 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "25 " and name "HG11") ) 3.300 3.300 0.000 peak 2591 weight 0.10000E+01 volume 0.23190E+01 ppm1 0.617 ppm2 1.074 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") ) 3.300 3.300 0.000 peak 2575 weight 0.10000E+01 volume 0.25490E+01 ppm1 1.072 ppm2 0.731 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") ) 2.700 2.700 0.000 peak 2589 weight 0.10000E+01 volume 0.30890E+01 ppm1 0.614 ppm2 0.730 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "25 " and name "HA ") ) 3.300 3.300 0.000 peak 3063 weight 0.10000E+01 volume 0.26230E+01 ppm1 0.721 ppm2 4.690 ASSI ( (segid " " and resid "26 " and name "HA ") )( (segid " " and resid "26 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2650 weight 0.10000E+01 volume 0.14530E+01 ppm1 4.993 ppm2 3.353 ASSI ( (segid " " and resid "26 " and name "HA ") )( (segid " " and resid "26 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2649 weight 0.10000E+01 volume 0.11130E+01 ppm1 4.999 ppm2 3.136 ASSI ( (segid " " and resid "26 " and name "HB2 ") )( (segid " " and resid "26 " and name "HB1 ") ) 2.700 2.700 0.000 peak 2680 weight 0.10000E+01 volume 0.45800E+01 ppm1 3.135 ppm2 3.352 ASSI ( (segid " " and resid "26 " and name "HB1 ") )( (segid " " and resid "26 " and name "HD2 ") ) 6.000 6.000 0.000 peak 2667 weight 0.10000E+01 volume 0.27400E+00 ppm1 3.351 ppm2 7.303 ASSI ( (segid " " and resid "26 " and name "HB2 ") )( (segid " " and resid "26 " and name "HD2 ") ) 6.000 6.000 0.000 peak 2684 weight 0.10000E+01 volume 0.28500E+00 ppm1 3.136 ppm2 7.306 ASSI ( (segid " " and resid "26 " and name "HB1 ") )( (segid " " and resid "26 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2670 weight 0.10000E+01 volume 0.13600E+00 ppm1 3.346 ppm2 8.544 ASSI ( (segid " " and resid "26 " and name "HB2 ") )( (segid " " and resid "26 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2687 weight 0.10000E+01 volume 0.16700E+00 ppm1 3.138 ppm2 8.541 ASSI ( (segid " " and resid "26 " and name "HD2 ") )( (segid " " and resid "26 " and name "HA ") ) 6.000 6.000 0.000 peak 5843 weight 0.10000E+01 volume 0.12300E+00 ppm1 7.301 ppm2 5.003 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "27 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2695 weight 0.10000E+01 volume 0.12260E+01 ppm1 5.901 ppm2 2.559 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "27 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2696 weight 0.10000E+01 volume 0.12660E+01 ppm1 5.902 ppm2 2.826 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2700 weight 0.10000E+01 volume 0.45000E+00 ppm1 5.900 ppm2 6.711 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2701 weight 0.10000E+01 volume 0.79000E-01 ppm1 5.901 ppm2 6.817 ASSI ( (segid " " and resid "27 " and name "HB1 ") )( (segid " " and resid "27 " and name "HB2 ") ) 3.300 3.300 0.000 peak 2720 weight 0.10000E+01 volume 0.21650E+01 ppm1 2.555 ppm2 2.827 ASSI ( (segid " " and resid "27 " and name "HB1 ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2724 weight 0.10000E+01 volume 0.99400E+00 ppm1 2.556 ppm2 6.708 ASSI ( (segid " " and resid "27 " and name "HB2 ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2711 weight 0.10000E+01 volume 0.88000E+00 ppm1 2.822 ppm2 6.709 ASSI ( (segid " " and resid "27 " and name "HB1 ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2725 weight 0.10000E+01 volume 0.19000E+00 ppm1 2.555 ppm2 6.815 ASSI ( (segid " " and resid "27 " and name "HB2 ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2712 weight 0.10000E+01 volume 0.17900E+00 ppm1 2.823 ppm2 6.813 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 2.700 2.700 0.000 peak 5663 weight 0.10000E+01 volume 0.38910E+01 ppm1 6.703 ppm2 6.821 ASSI ( (segid " " and resid "28 " and name "HA ") )( (segid " " and resid "28 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4444 weight 0.10000E+01 volume 0.15820E+01 ppm1 4.472 ppm2 2.005 ASSI ( (segid " " and resid "28 " and name "HA ") )( (segid " " and resid "28 " and name "HG1 ") ) 5.000 5.000 0.000 peak 2652 weight 0.10000E+01 volume 0.36000E+00 ppm1 4.472 ppm2 2.294 ASSI ( (segid " " and resid "28 " and name "HA ") )( (segid " " and resid "28 " and name "HG2 ") ) 3.300 3.300 0.000 peak 2656 weight 0.10000E+01 volume 0.17420E+01 ppm1 4.472 ppm2 2.150 ASSI ( (segid " " and resid "28 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB1 ") )( (segid " " and resid "28 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2752 weight 0.10000E+01 volume 0.27950E+01 ppm1 2.005 ppm2 2.294 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "28 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB1 ") ) 2.700 2.700 0.000 peak 2742 weight 0.10000E+01 volume 0.51910E+01 ppm1 2.149 ppm2 2.004 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "28 " and name "HG1 ") ) 2.700 2.700 0.000 peak 2743 weight 0.10000E+01 volume 0.59530E+01 ppm1 2.148 ppm2 2.294 ASSI ( (segid " " and resid "29 " and name "HA ") )( (segid " " and resid "29 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4449 weight 0.10000E+01 volume 0.12050E+01 ppm1 4.506 ppm2 2.178 ASSI ( (segid " " and resid "29 " and name "HA ") )( (segid " " and resid "29 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4451 weight 0.10000E+01 volume 0.11910E+01 ppm1 4.508 ppm2 1.997 ASSI ( (segid " " and resid "29 " and name "HA ") )( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4450 weight 0.10000E+01 volume 0.77400E+00 ppm1 4.508 ppm2 2.472 ASSI ( (segid " " and resid "29 " and name "HB1 ") )( (segid " " and resid "29 " and name "HB2 ") ) 2.700 2.700 0.000 peak 2759 weight 0.10000E+01 volume 0.60910E+01 ppm1 2.172 ppm2 1.992 ASSI ( (segid " " and resid "29 " and name "HB1 ") )( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2760 weight 0.10000E+01 volume 0.18370E+01 ppm1 2.164 ppm2 2.470 ASSI ( (segid " " and resid "29 " and name "HB2 ") )( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2765 weight 0.10000E+01 volume 0.18190E+01 ppm1 1.992 ppm2 2.468 ASSI ( (segid " " and resid "30 " and name "HB1 ") )( (segid " " and resid "30 " and name "HA ") ) 5.000 5.000 0.000 peak 2785 weight 0.10000E+01 volume 0.94500E+00 ppm1 2.822 ppm2 4.745 ASSI ( (segid " " and resid "30 " and name "HB2 ") )( (segid " " and resid "30 " and name "HA ") ) 5.000 5.000 0.000 peak 2796 weight 0.10000E+01 volume 0.72900E+00 ppm1 2.709 ppm2 4.745 ASSI ( (segid " " and resid "31 " and name "HA ") )( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2813 weight 0.10000E+01 volume 0.23110E+01 ppm1 4.242 ppm2 2.458 ASSI ( (segid " " and resid "31 " and name "HB1 ") )( (segid " " and resid "31 " and name "HA ") ) 5.000 5.000 0.000 peak 2824 weight 0.10000E+01 volume 0.11980E+01 ppm1 2.189 ppm2 4.239 ASSI ( (segid " " and resid "31 " and name "HB2 ") )( (segid " " and resid "31 " and name "HA ") ) 5.000 5.000 0.000 peak 2836 weight 0.10000E+01 volume 0.11570E+01 ppm1 1.974 ppm2 4.244 ASSI ( (segid " " and resid "31 " and name "HB2 ") )( (segid " " and resid "31 " and name "HB1 ") ) 2.700 2.700 0.000 peak 2831 weight 0.10000E+01 volume 0.57720E+01 ppm1 1.976 ppm2 2.202 ASSI ( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") )( (segid " " and resid "31 " and name "HB1 ") ) 2.700 2.700 0.000 peak 2841 weight 0.10000E+01 volume 0.35550E+01 ppm1 2.451 ppm2 2.199 ASSI ( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") )( (segid " " and resid "31 " and name "HB2 ") ) 3.300 3.300 0.000 peak 2840 weight 0.10000E+01 volume 0.22050E+01 ppm1 2.451 ppm2 1.985 ASSI ( (segid " " and resid "32 " and name "HA ") )( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") ) 2.700 2.700 0.000 peak 2852 weight 0.10000E+01 volume 0.34960E+01 ppm1 4.101 ppm2 1.415 ASSI ( (segid " " and resid "33 " and name "HB1 ") )( (segid " " and resid "33 " and name "HA ") ) 3.300 3.300 0.000 peak 2872 weight 0.10000E+01 volume 0.21440E+01 ppm1 3.981 ppm2 4.357 ASSI ( (segid " " and resid "33 " and name "HB2 ") )( (segid " " and resid "33 " and name "HA ") ) 3.300 3.300 0.000 peak 2884 weight 0.10000E+01 volume 0.23190E+01 ppm1 3.899 ppm2 4.356 ASSI ( (segid " " and resid "33 " and name "HB2 ") )( (segid " " and resid "33 " and name "HB1 ") ) 2.700 2.700 0.000 peak 2882 weight 0.10000E+01 volume 0.10509E+02 ppm1 3.900 ppm2 3.986 ASSI ( (segid " " and resid "34 " and name "HA ") )( (segid " " and resid "34 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2891 weight 0.10000E+01 volume 0.13690E+01 ppm1 5.036 ppm2 3.821 ASSI ( (segid " " and resid "34 " and name "HA ") )( (segid " " and resid "34 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7312 weight 0.10000E+01 volume 0.13860E+01 ppm1 5.031 ppm2 2.996 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "34 " and name "HB1 ") ) 2.700 2.700 0.000 peak 2913 weight 0.10000E+01 volume 0.35330E+01 ppm1 2.985 ppm2 3.819 ASSI ( (segid " " and resid "35 " and name "HA2 ") )( (segid " " and resid "35 " and name "HA1 ") ) 2.700 2.700 0.000 peak 2933 weight 0.10000E+01 volume 0.36440E+01 ppm1 3.657 ppm2 4.286 ASSI ( (segid " " and resid "36 " and name "HA ") )( (segid " " and resid "36 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4517 weight 0.10000E+01 volume 0.10440E+01 ppm1 4.047 ppm2 1.354 ASSI ( (segid " " and resid "36 " and name "HA ") )( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2937 weight 0.10000E+01 volume 0.91000E-01 ppm1 4.044 ppm2 3.005 ASSI ( (segid " " and resid "36 " and name "HA ") )( (segid " " and resid "36 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4518 weight 0.10000E+01 volume 0.83000E+00 ppm1 4.046 ppm2 1.467 ASSI ( (segid " " and resid "36 " and name "HA ") )( (segid " " and resid "36 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4520 weight 0.10000E+01 volume 0.13840E+01 ppm1 4.046 ppm2 1.419 ASSI ( (segid " " and resid "36 " and name "HB1 ") )( (segid " " and resid "36 " and name "HA ") ) 5.000 5.000 0.000 peak 2945 weight 0.10000E+01 volume 0.10720E+01 ppm1 1.670 ppm2 4.057 ASSI ( (segid " " and resid "36 " and name "HB2 ") )( (segid " " and resid "36 " and name "HB1 ") ) 2.700 2.700 0.000 peak 2948 weight 0.10000E+01 volume 0.35540E+01 ppm1 1.344 ppm2 1.670 ASSI ( (segid " " and resid "36 " and name "HB1 ") )( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2944 weight 0.10000E+01 volume 0.24500E+00 ppm1 1.670 ppm2 3.007 ASSI ( (segid " " and resid "36 " and name "HB2 ") )( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2953 weight 0.10000E+01 volume 0.25700E+00 ppm1 1.348 ppm2 3.013 ASSI ( (segid " " and resid "36 " and name "HB1 ") )( (segid " " and resid "36 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2940 weight 0.10000E+01 volume 0.20180E+01 ppm1 1.670 ppm2 1.471 ASSI ( (segid " " and resid "36 " and name "HB2 ") )( (segid " " and resid "36 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2949 weight 0.10000E+01 volume 0.19270E+01 ppm1 1.344 ppm2 1.470 ASSI ( (segid " " and resid "36 " and name "HB1 ") )( (segid " " and resid "36 " and name "HG2 ") ) 2.700 2.700 0.000 peak 2941 weight 0.10000E+01 volume 0.33350E+01 ppm1 1.670 ppm2 1.422 ASSI ( (segid " " and resid "36 " and name "HB2 ") )( (segid " " and resid "36 " and name "HG2 ") ) 2.700 2.700 0.000 peak 2950 weight 0.10000E+01 volume 0.31460E+01 ppm1 1.345 ppm2 1.421 ASSI ( (segid " " and resid "36 " and name "HD2 ") OR (segid " " and resid "36 " and name "HD1 ") )( (segid " " and resid "36 " and name "HA ") ) 6.000 6.000 0.000 peak 2971 weight 0.10000E+01 volume 0.26900E+00 ppm1 1.572 ppm2 4.054 ASSI ( (segid " " and resid "36 " and name "HD2 ") OR (segid " " and resid "36 " and name "HD1 ") )( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") ) 5.000 5.000 0.000 peak 2970 weight 0.10000E+01 volume 0.94600E+00 ppm1 1.571 ppm2 2.974 ASSI ( (segid " " and resid "36 " and name "HG1 ") )( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") ) 5.000 5.000 0.000 peak 2959 weight 0.10000E+01 volume 0.41900E+00 ppm1 1.468 ppm2 2.994 ASSI ( (segid " " and resid "36 " and name "HG2 ") )( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") ) 5.000 5.000 0.000 peak 2965 weight 0.10000E+01 volume 0.44500E+00 ppm1 1.417 ppm2 2.998 ASSI ( (segid " " and resid "37 " and name "HA ") )( (segid " " and resid "37 " and name "HB2 ") OR (segid " " and resid "37 " and name "HB1 ") ) 3.300 3.300 0.000 peak 2978 weight 0.10000E+01 volume 0.23100E+01 ppm1 4.179 ppm2 1.717 ASSI ( (segid " " and resid "37 " and name "HA ") )( (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2981 weight 0.10000E+01 volume 0.40700E+00 ppm1 4.178 ppm2 3.195 ASSI ( (segid " " and resid "37 " and name "HB2 ") OR (segid " " and resid "37 " and name "HB1 ") )( (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2985 weight 0.10000E+01 volume 0.11020E+01 ppm1 1.718 ppm2 3.191 ASSI ( (segid " " and resid "37 " and name "HB2 ") OR (segid " " and resid "37 " and name "HB1 ") )( (segid " " and resid "37 " and name "HG2 ") OR (segid " " and resid "37 " and name "HG1 ") ) 2.700 2.700 0.000 peak 2984 weight 0.10000E+01 volume 0.35780E+01 ppm1 1.718 ppm2 1.541 ASSI ( (segid " " and resid "37 " and name "HG2 ") OR (segid " " and resid "37 " and name "HG1 ") )( (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") ) 3.300 3.300 0.000 peak 2990 weight 0.10000E+01 volume 0.15770E+01 ppm1 1.540 ppm2 3.187 ASSI ( (segid " " and resid "38 " and name "HA ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4456 weight 0.10000E+01 volume 0.18270E+01 ppm1 4.627 ppm2 1.374 ASSI ( (segid " " and resid "39 " and name "HA ") )( (segid " " and resid "39 " and name "HB ") ) 5.000 5.000 0.000 peak 4465 weight 0.10000E+01 volume 0.57700E+00 ppm1 4.483 ppm2 1.698 ASSI ( (segid " " and resid "39 " and name "HA ") )( (segid " " and resid "39 " and name "HG12") ) 5.000 5.000 0.000 peak 4463 weight 0.10000E+01 volume 0.59900E+00 ppm1 4.483 ppm2 1.266 ASSI ( (segid " " and resid "39 " and name "HA ") )( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 3.300 3.300 0.000 peak 4460 weight 0.10000E+01 volume 0.24510E+01 ppm1 4.485 ppm2 0.720 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 3.300 3.300 0.000 peak 3029 weight 0.10000E+01 volume 0.17880E+01 ppm1 1.696 ppm2 0.674 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") ) 3.300 3.300 0.000 peak 3032 weight 0.10000E+01 volume 0.19860E+01 ppm1 1.694 ppm2 1.268 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 3.300 3.300 0.000 peak 3028 weight 0.10000E+01 volume 0.27820E+01 ppm1 1.696 ppm2 0.722 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "39 " and name "HA ") ) 2.700 2.700 0.000 peak 3094 weight 0.10000E+01 volume 0.33560E+01 ppm1 0.663 ppm2 4.501 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") ) 2.700 2.700 0.000 peak 3078 weight 0.10000E+01 volume 0.45430E+01 ppm1 0.665 ppm2 1.273 ASSI ( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") )( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 2.700 2.700 0.000 peak 3104 weight 0.10000E+01 volume 0.37480E+01 ppm1 1.264 ppm2 0.720 ASSI ( (segid " " and resid "40 " and name "HA ") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") ) 3.300 3.300 0.000 peak 4469 weight 0.10000E+01 volume 0.18580E+01 ppm1 4.913 ppm2 0.750 ASSI ( (segid " " and resid "40 " and name "HA ") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") ) 3.300 3.300 0.000 peak 4470 weight 0.10000E+01 volume 0.15310E+01 ppm1 4.916 ppm2 0.838 ASSI ( (segid " " and resid "40 " and name "HB ") )( (segid " " and resid "40 " and name "HA ") ) 5.000 5.000 0.000 peak 3123 weight 0.10000E+01 volume 0.30600E+00 ppm1 1.971 ppm2 4.926 ASSI ( (segid " " and resid "40 " and name "HB ") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") ) 5.000 5.000 0.000 peak 3115 weight 0.10000E+01 volume 0.11560E+01 ppm1 1.970 ppm2 0.738 ASSI ( (segid " " and resid "40 " and name "HB ") )( (segid " " and resid "40 " and name "HG11") ) 5.000 5.000 0.000 peak 3119 weight 0.10000E+01 volume 0.11390E+01 ppm1 1.972 ppm2 1.387 ASSI ( (segid " " and resid "40 " and name "HB ") )( (segid " " and resid "40 " and name "HG12") ) 5.000 5.000 0.000 peak 3118 weight 0.10000E+01 volume 0.11390E+01 ppm1 1.974 ppm2 1.240 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "40 " and name "HG11") ) 2.700 2.700 0.000 peak 3179 weight 0.10000E+01 volume 0.37410E+01 ppm1 0.749 ppm2 1.386 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") ) 2.700 2.700 0.000 peak 7480 weight 0.10000E+01 volume 0.46400E+01 ppm1 0.746 ppm2 0.836 ASSI ( (segid " " and resid "40 " and name "HG11") )( (segid " " and resid "40 " and name "HA ") ) 6.000 6.000 0.000 peak 3135 weight 0.10000E+01 volume 0.23200E+00 ppm1 1.372 ppm2 4.919 ASSI ( (segid " " and resid "40 " and name "HG12") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") ) 2.700 2.700 0.000 peak 3139 weight 0.10000E+01 volume 0.32250E+01 ppm1 1.236 ppm2 0.751 ASSI ( (segid " " and resid "40 " and name "HG12") )( (segid " " and resid "40 " and name "HG11") ) 2.700 2.700 0.000 peak 3140 weight 0.10000E+01 volume 0.46350E+01 ppm1 1.236 ppm2 1.382 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "40 " and name "HB ") ) 2.700 2.700 0.000 peak 3154 weight 0.10000E+01 volume 0.31970E+01 ppm1 0.829 ppm2 1.979 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "40 " and name "HG11") ) 3.300 3.300 0.000 peak 7470 weight 0.10000E+01 volume 0.25970E+01 ppm1 0.828 ppm2 1.380 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "40 " and name "HG12") ) 3.300 3.300 0.000 peak 7468 weight 0.10000E+01 volume 0.17730E+01 ppm1 0.828 ppm2 1.240 ASSI ( (segid " " and resid "41 " and name "HA ") )( (segid " " and resid "41 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4478 weight 0.10000E+01 volume 0.72100E+00 ppm1 4.971 ppm2 1.495 ASSI ( (segid " " and resid "41 " and name "HA ") )( (segid " " and resid "41 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4479 weight 0.10000E+01 volume 0.84100E+00 ppm1 4.970 ppm2 1.824 ASSI ( (segid " " and resid "41 " and name "HA ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 4477 weight 0.10000E+01 volume 0.10960E+01 ppm1 4.971 ppm2 0.853 ASSI ( (segid " " and resid "41 " and name "HB2 ") )( (segid " " and resid "41 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3213 weight 0.10000E+01 volume 0.18650E+01 ppm1 1.826 ppm2 1.491 ASSI ( (segid " " and resid "41 " and name "HB1 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 3.300 3.300 0.000 peak 3223 weight 0.10000E+01 volume 0.15480E+01 ppm1 1.480 ppm2 0.848 ASSI ( (segid " " and resid "41 " and name "HB2 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 3210 weight 0.10000E+01 volume 0.14460E+01 ppm1 1.826 ppm2 0.851 ASSI ( (segid " " and resid "41 " and name "HB1 ") )( (segid " " and resid "41 " and name "HG ") ) 5.000 5.000 0.000 peak 7521 weight 0.10000E+01 volume 0.11400E+01 ppm1 1.480 ppm2 1.661 ASSI ( (segid " " and resid "41 " and name "HB2 ") )( (segid " " and resid "41 " and name "HG ") ) 5.000 5.000 0.000 peak 3214 weight 0.10000E+01 volume 0.83400E+00 ppm1 1.825 ppm2 1.660 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "41 " and name "HG ") ) 3.300 3.300 0.000 peak 3250 weight 0.10000E+01 volume 0.18980E+01 ppm1 0.845 ppm2 1.661 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "41 " and name "HA ") ) 2.700 2.700 0.000 peak 3265 weight 0.10000E+01 volume 0.32390E+01 ppm1 0.751 ppm2 4.984 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "41 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7556 weight 0.10000E+01 volume 0.25630E+01 ppm1 0.749 ppm2 1.490 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "41 " and name "HG ") ) 2.700 2.700 0.000 peak 7558 weight 0.10000E+01 volume 0.51860E+01 ppm1 0.749 ppm2 1.665 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "41 " and name "HA ") ) 5.000 5.000 0.000 peak 3239 weight 0.10000E+01 volume 0.39000E+00 ppm1 1.661 ppm2 4.973 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "42 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3276 weight 0.10000E+01 volume 0.73300E+00 ppm1 5.625 ppm2 1.958 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "42 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3275 weight 0.10000E+01 volume 0.94600E+00 ppm1 5.626 ppm2 1.781 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "42 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3278 weight 0.10000E+01 volume 0.56500E+00 ppm1 5.625 ppm2 2.728 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "42 " and name "HG2 ") ) 5.000 5.000 0.000 peak 3277 weight 0.10000E+01 volume 0.82300E+00 ppm1 5.625 ppm2 2.097 ASSI ( (segid " " and resid "42 " and name "HG1 ") )( (segid " " and resid "42 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3315 weight 0.10000E+01 volume 0.67800E+00 ppm1 2.720 ppm2 1.969 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "42 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3328 weight 0.10000E+01 volume 0.75700E+00 ppm1 2.094 ppm2 1.968 ASSI ( (segid " " and resid "42 " and name "HG1 ") )( (segid " " and resid "42 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3314 weight 0.10000E+01 volume 0.66000E+00 ppm1 2.720 ppm2 1.780 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "42 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3327 weight 0.10000E+01 volume 0.65900E+00 ppm1 2.094 ppm2 1.785 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "42 " and name "HG1 ") ) 3.300 3.300 0.000 peak 3329 weight 0.10000E+01 volume 0.18220E+01 ppm1 2.094 ppm2 2.730 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "43 " and name "HB ") ) 5.000 5.000 0.000 peak 3346 weight 0.10000E+01 volume 0.12650E+01 ppm1 5.442 ppm2 4.865 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 3339 weight 0.10000E+01 volume 0.14620E+01 ppm1 5.445 ppm2 1.353 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "43 " and name "HB ") ) 3.300 3.300 0.000 peak 3371 weight 0.10000E+01 volume 0.18680E+01 ppm1 1.351 ppm2 4.863 ASSI ( (segid " " and resid "44 " and name "HA ") )( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3392 weight 0.10000E+01 volume 0.26480E+01 ppm1 3.774 ppm2 1.788 ASSI ( (segid " " and resid "44 " and name "HA ") )( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3391 weight 0.10000E+01 volume 0.14710E+01 ppm1 3.773 ppm2 1.586 ASSI ( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") )( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3408 weight 0.10000E+01 volume 0.12890E+01 ppm1 1.781 ppm2 3.190 ASSI ( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") )( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 2.700 2.700 0.000 peak 3407 weight 0.10000E+01 volume 0.43240E+01 ppm1 1.782 ppm2 1.576 ASSI ( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") )( (segid " " and resid "44 " and name "HA ") ) 5.000 5.000 0.000 peak 4529 weight 0.10000E+01 volume 0.59300E+00 ppm1 3.178 ppm2 3.777 ASSI ( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") )( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") ) 2.700 2.700 0.000 peak 3416 weight 0.10000E+01 volume 0.30390E+01 ppm1 1.577 ppm2 3.199 ASSI ( (segid " " and resid "45 " and name "HB1 ") )( (segid " " and resid "45 " and name "HA ") ) 3.300 3.300 0.000 peak 3430 weight 0.10000E+01 volume 0.15270E+01 ppm1 2.308 ppm2 4.272 ASSI ( (segid " " and resid "45 " and name "HB2 ") )( (segid " " and resid "45 " and name "HA ") ) 5.000 5.000 0.000 peak 3440 weight 0.10000E+01 volume 0.12320E+01 ppm1 1.792 ppm2 4.273 ASSI ( (segid " " and resid "45 " and name "HB2 ") )( (segid " " and resid "45 " and name "HB1 ") ) 2.700 2.700 0.000 peak 3439 weight 0.10000E+01 volume 0.54190E+01 ppm1 1.791 ppm2 2.309 ASSI ( (segid " " and resid "45 " and name "HB2 ") )( (segid " " and resid "45 " and name "HG1 ") ) 3.300 3.300 0.000 peak 3437 weight 0.10000E+01 volume 0.21580E+01 ppm1 1.792 ppm2 2.428 ASSI ( (segid " " and resid "45 " and name "HB2 ") )( (segid " " and resid "45 " and name "HG2 ") ) 2.700 2.700 0.000 peak 3438 weight 0.10000E+01 volume 0.56900E+01 ppm1 1.792 ppm2 2.358 ASSI ( (segid " " and resid "45 " and name "HG1 ") )( (segid " " and resid "45 " and name "HA ") ) 3.300 3.300 0.000 peak 3448 weight 0.10000E+01 volume 0.15030E+01 ppm1 2.417 ppm2 4.271 ASSI ( (segid " " and resid "45 " and name "HG2 ") )( (segid " " and resid "45 " and name "HA ") ) 5.000 5.000 0.000 peak 3454 weight 0.10000E+01 volume 0.11640E+01 ppm1 2.353 ppm2 4.272 ASSI ( (segid " " and resid "46 " and name "HA ") )( (segid " " and resid "46 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3462 weight 0.10000E+01 volume 0.11690E+01 ppm1 4.395 ppm2 3.333 ASSI ( (segid " " and resid "46 " and name "HA ") )( (segid " " and resid "46 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3461 weight 0.10000E+01 volume 0.97900E+00 ppm1 4.397 ppm2 3.605 ASSI ( (segid " " and resid "46 " and name "HB2 ") )( (segid " " and resid "46 " and name "HB1 ") ) 2.700 2.700 0.000 peak 3470 weight 0.10000E+01 volume 0.48800E+01 ppm1 3.598 ppm2 3.337 ASSI ( (segid " " and resid "46 " and name "HB1 ") )( (segid " " and resid "46 " and name "HD2 ") ) 5.000 5.000 0.000 peak 3478 weight 0.10000E+01 volume 0.34200E+00 ppm1 3.328 ppm2 7.177 ASSI ( (segid " " and resid "46 " and name "HB2 ") )( (segid " " and resid "46 " and name "HD2 ") ) 5.000 5.000 0.000 peak 2338 weight 0.10000E+01 volume 0.50400E+00 ppm1 3.597 ppm2 7.178 ASSI ( (segid " " and resid "47 " and name "HA ") )( (segid " " and resid "47 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4485 weight 0.10000E+01 volume 0.12100E+01 ppm1 4.406 ppm2 1.717 ASSI ( (segid " " and resid "47 " and name "HA ") )( (segid " " and resid "47 " and name "HB2 ") ) 3.300 3.300 0.000 peak 4484 weight 0.10000E+01 volume 0.19440E+01 ppm1 4.407 ppm2 1.618 ASSI ( (segid " " and resid "47 " and name "HA ") )( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4486 weight 0.10000E+01 volume 0.41000E+00 ppm1 4.406 ppm2 3.167 ASSI ( (segid " " and resid "47 " and name "HA ") )( (segid " " and resid "47 " and name "HG1 ") ) 3.300 3.300 0.000 peak 4483 weight 0.10000E+01 volume 0.18070E+01 ppm1 4.407 ppm2 1.560 ASSI ( (segid " " and resid "47 " and name "HA ") )( (segid " " and resid "47 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4482 weight 0.10000E+01 volume 0.94100E+00 ppm1 4.407 ppm2 1.396 ASSI ( (segid " " and resid "47 " and name "HB2 ") )( (segid " " and resid "47 " and name "HB1 ") ) 2.700 2.700 0.000 peak 1875 weight 0.10000E+01 volume 0.31360E+01 ppm1 1.614 ppm2 1.713 ASSI ( (segid " " and resid "47 " and name "HB1 ") )( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3481 weight 0.10000E+01 volume 0.40900E+00 ppm1 1.717 ppm2 3.175 ASSI ( (segid " " and resid "47 " and name "HB2 ") )( (segid " " and resid "47 " and name "HD2 ") ) 5.000 5.000 0.000 peak 3490 weight 0.10000E+01 volume 0.41600E+00 ppm1 1.613 ppm2 3.171 ASSI ( (segid " " and resid "47 " and name "HB1 ") )( (segid " " and resid "47 " and name "HG1 ") ) 2.700 2.700 0.000 peak 7695 weight 0.10000E+01 volume 0.34560E+01 ppm1 1.714 ppm2 1.554 ASSI ( (segid " " and resid "47 " and name "HB2 ") )( (segid " " and resid "47 " and name "HG1 ") ) 3.300 3.300 0.000 peak 3489 weight 0.10000E+01 volume 0.28010E+01 ppm1 1.613 ppm2 1.554 ASSI ( (segid " " and resid "47 " and name "HB1 ") )( (segid " " and resid "47 " and name "HG2 ") ) 3.300 3.300 0.000 peak 3480 weight 0.10000E+01 volume 0.19020E+01 ppm1 1.714 ppm2 1.396 ASSI ( (segid " " and resid "47 " and name "HB2 ") )( (segid " " and resid "47 " and name "HG2 ") ) 5.000 5.000 0.000 peak 3488 weight 0.10000E+01 volume 0.13720E+01 ppm1 1.612 ppm2 1.398 ASSI ( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") )( (segid " " and resid "47 " and name "HG2 ") ) 3.300 3.300 0.000 peak 3514 weight 0.10000E+01 volume 0.17360E+01 ppm1 3.165 ppm2 1.400 ASSI ( (segid " " and resid "47 " and name "HG1 ") )( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") ) 3.300 3.300 0.000 peak 3498 weight 0.10000E+01 volume 0.16670E+01 ppm1 1.549 ppm2 3.174 ASSI ( (segid " " and resid "47 " and name "HG1 ") )( (segid " " and resid "47 " and name "HG2 ") ) 2.700 2.700 0.000 peak 3497 weight 0.10000E+01 volume 0.53390E+01 ppm1 1.550 ppm2 1.397 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "48 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3517 weight 0.10000E+01 volume 0.92600E+00 ppm1 5.458 ppm2 1.027 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "48 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3519 weight 0.10000E+01 volume 0.10320E+01 ppm1 5.458 ppm2 1.574 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") ) 5.000 5.000 0.000 peak 7725 weight 0.10000E+01 volume 0.14890E+01 ppm1 5.458 ppm2 0.747 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") ) 3.300 3.300 0.000 peak 3515 weight 0.10000E+01 volume 0.19850E+01 ppm1 5.459 ppm2 0.691 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "48 " and name "HG ") ) 5.000 5.000 0.000 peak 7731 weight 0.10000E+01 volume 0.88500E+00 ppm1 5.458 ppm2 1.547 ASSI ( (segid " " and resid "48 " and name "HB1 ") )( (segid " " and resid "48 " and name "HB2 ") ) 2.700 2.700 0.000 peak 3539 weight 0.10000E+01 volume 0.33830E+01 ppm1 1.020 ppm2 1.575 ASSI ( (segid " " and resid "48 " and name "HB1 ") )( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") ) 3.300 3.300 0.000 peak 3536 weight 0.10000E+01 volume 0.27130E+01 ppm1 1.022 ppm2 0.751 ASSI ( (segid " " and resid "48 " and name "HB2 ") )( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") ) 3.300 3.300 0.000 peak 3527 weight 0.10000E+01 volume 0.26210E+01 ppm1 1.571 ppm2 0.747 ASSI ( (segid " " and resid "48 " and name "HB1 ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") ) 3.300 3.300 0.000 peak 3537 weight 0.10000E+01 volume 0.19750E+01 ppm1 1.022 ppm2 0.690 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "48 " and name "HG ") ) 3.300 3.300 0.000 peak 7763 weight 0.10000E+01 volume 0.26120E+01 ppm1 0.745 ppm2 1.547 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "48 " and name "HG ") ) 2.700 2.700 0.000 peak 7769 weight 0.10000E+01 volume 0.35820E+01 ppm1 0.679 ppm2 1.544 ASSI ( (segid " " and resid "48 " and name "HG ") )( (segid " " and resid "48 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3545 weight 0.10000E+01 volume 0.81500E+00 ppm1 1.548 ppm2 1.033 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "49 " and name "HA ") ) 5.000 5.000 0.000 peak 3607 weight 0.10000E+01 volume 0.52600E+00 ppm1 2.560 ppm2 4.709 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "49 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3605 weight 0.10000E+01 volume 0.22980E+01 ppm1 2.562 ppm2 3.108 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3595 weight 0.10000E+01 volume 0.11570E+01 ppm1 3.100 ppm2 7.142 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3609 weight 0.10000E+01 volume 0.11520E+01 ppm1 2.559 ppm2 7.143 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") ) 5.000 5.000 0.000 peak 3596 weight 0.10000E+01 volume 0.31600E+00 ppm1 3.100 ppm2 7.248 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") ) 5.000 5.000 0.000 peak 3610 weight 0.10000E+01 volume 0.34400E+00 ppm1 2.558 ppm2 7.242 ASSI ( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") )( (segid " " and resid "49 " and name "HA ") ) 6.000 6.000 0.000 peak 5693 weight 0.10000E+01 volume 0.23500E+00 ppm1 7.136 ppm2 4.707 ASSI ( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") )( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") ) 2.700 2.700 0.000 peak 8661 weight 0.10000E+01 volume 0.58160E+01 ppm1 7.137 ppm2 7.222 ASSI ( (segid " " and resid "50 " and name "HA ") )( (segid " " and resid "50 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3619 weight 0.10000E+01 volume 0.91700E+00 ppm1 5.116 ppm2 2.537 ASSI ( (segid " " and resid "50 " and name "HA ") )( (segid " " and resid "50 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3620 weight 0.10000E+01 volume 0.71100E+00 ppm1 5.112 ppm2 3.729 ASSI ( (segid " " and resid "50 " and name "HB2 ") )( (segid " " and resid "50 " and name "HB1 ") ) 2.700 2.700 0.000 peak 3629 weight 0.10000E+01 volume 0.33730E+01 ppm1 3.721 ppm2 2.533 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "51 " and name "HA ") ) 3.300 3.300 0.000 peak 3667 weight 0.10000E+01 volume 0.24390E+01 ppm1 1.077 ppm2 4.854 ASSI ( (segid " " and resid "52 " and name "HB2 ") )( (segid " " and resid "52 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3691 weight 0.10000E+01 volume 0.24160E+01 ppm1 2.445 ppm2 3.058 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "53 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3704 weight 0.10000E+01 volume 0.16790E+01 ppm1 3.904 ppm2 2.011 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") ) 3.300 3.300 0.000 peak 3702 weight 0.10000E+01 volume 0.15540E+01 ppm1 3.903 ppm2 1.803 ASSI ( (segid " " and resid "53 " and name "HB2 ") )( (segid " " and resid "53 " and name "HA ") ) 3.300 3.300 0.000 peak 3725 weight 0.10000E+01 volume 0.16810E+01 ppm1 1.884 ppm2 3.914 ASSI ( (segid " " and resid "53 " and name "HB1 ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3718 weight 0.10000E+01 volume 0.58400E+00 ppm1 2.005 ppm2 4.052 ASSI ( (segid " " and resid "53 " and name "HB2 ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3726 weight 0.10000E+01 volume 0.74300E+00 ppm1 1.885 ppm2 4.051 ASSI ( (segid " " and resid "53 " and name "HB1 ") )( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") ) 2.700 2.700 0.000 peak 3716 weight 0.10000E+01 volume 0.33320E+01 ppm1 2.007 ppm2 1.802 ASSI ( (segid " " and resid "53 " and name "HB2 ") )( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") ) 2.700 2.700 0.000 peak 7875 weight 0.10000E+01 volume 0.58210E+01 ppm1 1.883 ppm2 1.802 ASSI ( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "53 " and name "HA ") ) 5.000 5.000 0.000 peak 3755 weight 0.10000E+01 volume 0.99700E+00 ppm1 4.046 ppm2 3.908 ASSI ( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") ) 2.700 2.700 0.000 peak 3750 weight 0.10000E+01 volume 0.33140E+01 ppm1 4.047 ppm2 1.800 ASSI ( (segid " " and resid "54 " and name "HA ") )( (segid " " and resid "54 " and name "HB2 ") OR (segid " " and resid "54 " and name "HB1 ") ) 2.700 2.700 0.000 peak 3763 weight 0.10000E+01 volume 0.31270E+01 ppm1 3.983 ppm2 1.727 ASSI ( (segid " " and resid "54 " and name "HA ") )( (segid " " and resid "54 " and name "HD2 ") OR (segid " " and resid "54 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3764 weight 0.10000E+01 volume 0.13730E+01 ppm1 3.984 ppm2 1.640 ASSI ( (segid " " and resid "54 " and name "HA ") )( (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") ) 3.300 3.300 0.000 peak 3762 weight 0.10000E+01 volume 0.18940E+01 ppm1 3.985 ppm2 1.346 ASSI ( (segid " " and resid "54 " and name "HB2 ") OR (segid " " and resid "54 " and name "HB1 ") )( (segid " " and resid "54 " and name "HE2 ") OR (segid " " and resid "54 " and name "HE1 ") ) 6.000 6.000 0.000 peak 3772 weight 0.10000E+01 volume 0.28600E+00 ppm1 1.718 ppm2 2.959 ASSI ( (segid " " and resid "54 " and name "HB2 ") OR (segid " " and resid "54 " and name "HB1 ") )( (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") ) 2.700 2.700 0.000 peak 3771 weight 0.10000E+01 volume 0.34780E+01 ppm1 1.717 ppm2 1.342 ASSI ( (segid " " and resid "54 " and name "HD2 ") OR (segid " " and resid "54 " and name "HD1 ") )( (segid " " and resid "54 " and name "HE2 ") OR (segid " " and resid "54 " and name "HE1 ") ) 3.300 3.300 0.000 peak 3785 weight 0.10000E+01 volume 0.20070E+01 ppm1 1.630 ppm2 2.956 ASSI ( (segid " " and resid "54 " and name "HD2 ") OR (segid " " and resid "54 " and name "HD1 ") )( (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") ) 2.700 2.700 0.000 peak 3784 weight 0.10000E+01 volume 0.67510E+01 ppm1 1.633 ppm2 1.337 ASSI ( (segid " " and resid "54 " and name "HE2 ") OR (segid " " and resid "54 " and name "HE1 ") )( (segid " " and resid "54 " and name "HA ") ) 6.000 6.000 0.000 peak 3793 weight 0.10000E+01 volume 0.17700E+00 ppm1 2.951 ppm2 3.990 ASSI ( (segid " " and resid "54 " and name "HE2 ") OR (segid " " and resid "54 " and name "HE1 ") )( (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3789 weight 0.10000E+01 volume 0.12370E+01 ppm1 2.953 ppm2 1.340 ASSI ( (segid " " and resid "55 " and name "HA ") )( (segid " " and resid "55 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3796 weight 0.10000E+01 volume 0.12170E+01 ppm1 4.150 ppm2 1.970 ASSI ( (segid " " and resid "55 " and name "HA ") )( (segid " " and resid "55 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3797 weight 0.10000E+01 volume 0.95800E+00 ppm1 4.149 ppm2 1.786 ASSI ( (segid " " and resid "55 " and name "HA ") )( (segid " " and resid "55 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3800 weight 0.10000E+01 volume 0.76200E+00 ppm1 4.147 ppm2 2.461 ASSI ( (segid " " and resid "55 " and name "HA ") )( (segid " " and resid "55 " and name "HG2 ") ) 3.300 3.300 0.000 peak 3798 weight 0.10000E+01 volume 0.17330E+01 ppm1 4.149 ppm2 2.254 ASSI ( (segid " " and resid "55 " and name "HB2 ") )( (segid " " and resid "55 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3818 weight 0.10000E+01 volume 0.28550E+01 ppm1 1.784 ppm2 1.971 ASSI ( (segid " " and resid "55 " and name "HB2 ") )( (segid " " and resid "55 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3821 weight 0.10000E+01 volume 0.11130E+01 ppm1 1.786 ppm2 2.458 ASSI ( (segid " " and resid "55 " and name "HB1 ") )( (segid " " and resid "55 " and name "HG2 ") ) 2.700 2.700 0.000 peak 3806 weight 0.10000E+01 volume 0.34980E+01 ppm1 1.968 ppm2 2.249 ASSI ( (segid " " and resid "55 " and name "HB2 ") )( (segid " " and resid "55 " and name "HG2 ") ) 5.000 5.000 0.000 peak 3819 weight 0.10000E+01 volume 0.10730E+01 ppm1 1.785 ppm2 2.250 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "55 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3831 weight 0.10000E+01 volume 0.84500E+00 ppm1 2.456 ppm2 1.968 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "55 " and name "HG1 ") ) 2.700 2.700 0.000 peak 3847 weight 0.10000E+01 volume 0.32590E+01 ppm1 2.243 ppm2 2.465 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "56 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3862 weight 0.10000E+01 volume 0.11400E+01 ppm1 3.604 ppm2 2.139 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "56 " and name "HB2 ") ) 3.300 3.300 0.000 peak 3863 weight 0.10000E+01 volume 0.15220E+01 ppm1 3.604 ppm2 2.263 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "56 " and name "HG2 ") ) 5.000 5.000 0.000 peak 3864 weight 0.10000E+01 volume 0.13590E+01 ppm1 3.602 ppm2 2.401 ASSI ( (segid " " and resid "56 " and name "HB2 ") )( (segid " " and resid "56 " and name "HB1 ") ) 2.700 2.700 0.000 peak 3876 weight 0.10000E+01 volume 0.30270E+01 ppm1 2.258 ppm2 2.139 ASSI ( (segid " " and resid "56 " and name "HB1 ") )( (segid " " and resid "56 " and name "HG1 ") ) 2.700 2.700 0.000 peak 3883 weight 0.10000E+01 volume 0.36590E+01 ppm1 2.132 ppm2 2.394 ASSI ( (segid " " and resid "56 " and name "HB2 ") )( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") ) 2.700 2.700 0.000 peak 3877 weight 0.10000E+01 volume 0.37200E+01 ppm1 2.258 ppm2 2.398 ASSI ( (segid " " and resid "57 " and name "HA ") )( (segid " " and resid "57 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4494 weight 0.10000E+01 volume 0.15870E+01 ppm1 4.447 ppm2 3.218 ASSI ( (segid " " and resid "57 " and name "HA ") )( (segid " " and resid "57 " and name "HB2 ") ) 3.300 3.300 0.000 peak 4495 weight 0.10000E+01 volume 0.15590E+01 ppm1 4.447 ppm2 3.503 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "57 " and name "HA ") ) 6.000 6.000 0.000 peak 5707 weight 0.10000E+01 volume 0.13100E+00 ppm1 7.623 ppm2 4.457 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "57 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5704 weight 0.10000E+01 volume 0.47500E+00 ppm1 7.622 ppm2 3.215 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "57 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5705 weight 0.10000E+01 volume 0.27300E+00 ppm1 7.621 ppm2 3.511 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "57 " and name "HA ") ) 6.000 6.000 0.000 peak 5724 weight 0.10000E+01 volume 0.22100E+00 ppm1 7.325 ppm2 4.457 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "57 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5722 weight 0.10000E+01 volume 0.48100E+00 ppm1 7.324 ppm2 3.216 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "57 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5723 weight 0.10000E+01 volume 0.82700E+00 ppm1 7.324 ppm2 3.510 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "57 " and name "HH2 ") ) 6.000 6.000 0.000 peak 5726 weight 0.10000E+01 volume 0.26700E+00 ppm1 7.323 ppm2 6.558 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "57 " and name "HZ3 ") ) 5.000 5.000 0.000 peak 5727 weight 0.10000E+01 volume 0.12100E+01 ppm1 7.324 ppm2 6.673 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "57 " and name "HZ3 ") ) 3.300 3.300 0.000 peak 5764 weight 0.10000E+01 volume 0.21130E+01 ppm1 6.571 ppm2 6.676 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "57 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5742 weight 0.10000E+01 volume 0.15300E+00 ppm1 7.318 ppm2 7.613 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "57 " and name "HE1 ") ) 5.000 5.000 0.000 peak 5743 weight 0.10000E+01 volume 0.76400E+00 ppm1 7.319 ppm2 10.308 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "57 " and name "HH2 ") ) 5.000 5.000 0.000 peak 5738 weight 0.10000E+01 volume 0.11970E+01 ppm1 7.320 ppm2 6.578 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "57 " and name "HZ3 ") ) 5.000 5.000 0.000 peak 5739 weight 0.10000E+01 volume 0.40600E+00 ppm1 7.321 ppm2 6.682 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "58 " and name "HB ") ) 5.000 5.000 0.000 peak 3921 weight 0.10000E+01 volume 0.97500E+00 ppm1 2.555 ppm2 1.712 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 3.300 3.300 0.000 peak 3914 weight 0.10000E+01 volume 0.19530E+01 ppm1 2.555 ppm2 0.222 ASSI ( (segid " " and resid "58 " and name "HB ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 3.300 3.300 0.000 peak 3932 weight 0.10000E+01 volume 0.18960E+01 ppm1 1.707 ppm2 -0.833 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "58 " and name "HB ") ) 2.700 2.700 0.000 peak 3946 weight 0.10000E+01 volume 0.44130E+01 ppm1 0.211 ppm2 1.714 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 3.300 3.300 0.000 peak 3940 weight 0.10000E+01 volume 0.29840E+01 ppm1 0.214 ppm2 -0.838 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "58 " and name "HA ") ) 3.300 3.300 0.000 peak 3973 weight 0.10000E+01 volume 0.20230E+01 ppm1 -0.843 ppm2 2.571 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "59 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4554 weight 0.10000E+01 volume 0.24240E+01 ppm1 3.785 ppm2 1.786 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "59 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3988 weight 0.10000E+01 volume 0.68300E+00 ppm1 3.784 ppm2 1.553 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "59 " and name "HD2 ") ) 5.000 5.000 0.000 peak 4553 weight 0.10000E+01 volume 0.13400E+01 ppm1 3.781 ppm2 1.406 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") ) 6.000 6.000 0.000 peak 3993 weight 0.10000E+01 volume 0.10300E+00 ppm1 3.786 ppm2 2.819 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "59 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8083 weight 0.10000E+01 volume 0.12290E+01 ppm1 3.781 ppm2 1.385 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "59 " and name "HG2 ") ) 5.000 5.000 0.000 peak 3987 weight 0.10000E+01 volume 0.11620E+01 ppm1 3.785 ppm2 1.195 ASSI ( (segid " " and resid "59 " and name "HB1 ") )( (segid " " and resid "59 " and name "HD1 ") ) 3.300 3.300 0.000 peak 4011 weight 0.10000E+01 volume 0.16910E+01 ppm1 1.781 ppm2 1.560 ASSI ( (segid " " and resid "59 " and name "HB2 ") )( (segid " " and resid "59 " and name "HD1 ") ) 3.300 3.300 0.000 peak 4014 weight 0.10000E+01 volume 0.22850E+01 ppm1 1.710 ppm2 1.557 ASSI ( (segid " " and resid "59 " and name "HB1 ") )( (segid " " and resid "59 " and name "HD2 ") ) 3.300 3.300 0.000 peak 4003 weight 0.10000E+01 volume 0.26270E+01 ppm1 1.780 ppm2 1.406 ASSI ( (segid " " and resid "59 " and name "HB2 ") )( (segid " " and resid "59 " and name "HD2 ") ) 2.700 2.700 0.000 peak 4013 weight 0.10000E+01 volume 0.33950E+01 ppm1 1.712 ppm2 1.407 ASSI ( (segid " " and resid "59 " and name "HB1 ") )( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") ) 5.000 5.000 0.000 peak 4004 weight 0.10000E+01 volume 0.30000E+00 ppm1 1.781 ppm2 2.802 ASSI ( (segid " " and resid "59 " and name "HB2 ") )( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") ) 5.000 5.000 0.000 peak 4015 weight 0.10000E+01 volume 0.37000E+00 ppm1 1.713 ppm2 2.801 ASSI ( (segid " " and resid "59 " and name "HB1 ") )( (segid " " and resid "59 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4002 weight 0.10000E+01 volume 0.11040E+01 ppm1 1.781 ppm2 1.191 ASSI ( (segid " " and resid "59 " and name "HD2 ") )( (segid " " and resid "59 " and name "HD1 ") ) 2.700 2.700 0.000 peak 4052 weight 0.10000E+01 volume 0.67670E+01 ppm1 1.406 ppm2 1.554 ASSI ( (segid " " and resid "59 " and name "HD1 ") )( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") ) 5.000 5.000 0.000 peak 4044 weight 0.10000E+01 volume 0.79400E+00 ppm1 1.548 ppm2 2.805 ASSI ( (segid " " and resid "59 " and name "HD1 ") )( (segid " " and resid "59 " and name "HG2 ") ) 3.300 3.300 0.000 peak 4040 weight 0.10000E+01 volume 0.16260E+01 ppm1 1.547 ppm2 1.193 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") )( (segid " " and resid "59 " and name "HD2 ") ) 3.300 3.300 0.000 peak 4064 weight 0.10000E+01 volume 0.25870E+01 ppm1 2.798 ppm2 1.407 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") )( (segid " " and resid "59 " and name "HG1 ") ) 3.300 3.300 0.000 peak 8139 weight 0.10000E+01 volume 0.24670E+01 ppm1 2.799 ppm2 1.374 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") )( (segid " " and resid "59 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4063 weight 0.10000E+01 volume 0.10710E+01 ppm1 2.800 ppm2 1.193 ASSI ( (segid " " and resid "59 " and name "HG1 ") )( (segid " " and resid "59 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4022 weight 0.10000E+01 volume 0.18550E+01 ppm1 1.377 ppm2 1.784 ASSI ( (segid " " and resid "59 " and name "HG1 ") )( (segid " " and resid "59 " and name "HB2 ") ) 2.700 2.700 0.000 peak 8113 weight 0.10000E+01 volume 0.39840E+01 ppm1 1.375 ppm2 1.722 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "59 " and name "HB2 ") ) 3.300 3.300 0.000 peak 4030 weight 0.10000E+01 volume 0.17570E+01 ppm1 1.188 ppm2 1.722 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "59 " and name "HD2 ") ) 2.700 2.700 0.000 peak 4028 weight 0.10000E+01 volume 0.51230E+01 ppm1 1.188 ppm2 1.404 ASSI ( (segid " " and resid "59 " and name "HG1 ") )( (segid " " and resid "59 " and name "HG2 ") ) 2.700 2.700 0.000 peak 4021 weight 0.10000E+01 volume 0.32220E+01 ppm1 1.377 ppm2 1.195 ASSI ( (segid " " and resid "60 " and name "HA ") )( (segid " " and resid "60 " and name "HB1 ") ) 3.300 3.300 0.000 peak 1786 weight 0.10000E+01 volume 0.29680E+01 ppm1 4.301 ppm2 2.716 ASSI ( (segid " " and resid "60 " and name "HA ") )( (segid " " and resid "60 " and name "HB2 ") ) 3.300 3.300 0.000 peak 1784 weight 0.10000E+01 volume 0.27910E+01 ppm1 4.301 ppm2 2.673 ASSI ( (segid " " and resid "61 " and name "HA ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 2.700 2.700 0.000 peak 4082 weight 0.10000E+01 volume 0.31850E+01 ppm1 4.001 ppm2 1.424 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "62 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4125 weight 0.10000E+01 volume 0.53000E+00 ppm1 3.360 ppm2 1.519 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "62 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4127 weight 0.10000E+01 volume 0.47500E+00 ppm1 3.358 ppm2 1.866 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "62 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8649 weight 0.10000E+01 volume 0.62100E+00 ppm1 3.359 ppm2 2.031 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "62 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4122 weight 0.10000E+01 volume 0.44700E+00 ppm1 3.359 ppm2 0.442 ASSI ( (segid " " and resid "62 " and name "HB2 ") )( (segid " " and resid "62 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4139 weight 0.10000E+01 volume 0.24800E+01 ppm1 1.855 ppm2 1.519 ASSI ( (segid " " and resid "62 " and name "HB1 ") )( (segid " " and resid "62 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4149 weight 0.10000E+01 volume 0.89800E+00 ppm1 1.513 ppm2 2.024 ASSI ( (segid " " and resid "62 " and name "HB2 ") )( (segid " " and resid "62 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4140 weight 0.10000E+01 volume 0.11080E+01 ppm1 1.854 ppm2 2.025 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 5822 weight 0.10000E+01 volume 0.44600E+00 ppm1 1.746 ppm2 3.367 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "62 " and name "HB1 ") ) 3.300 3.300 0.000 peak 5821 weight 0.10000E+01 volume 0.19760E+01 ppm1 1.748 ppm2 1.500 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "62 " and name "HG1 ") ) 3.300 3.300 0.000 peak 8218 weight 0.10000E+01 volume 0.29870E+01 ppm1 1.752 ppm2 2.030 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "62 " and name "HG2 ") ) 5.000 5.000 0.000 peak 5817 weight 0.10000E+01 volume 0.10910E+01 ppm1 1.747 ppm2 0.438 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "62 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4170 weight 0.10000E+01 volume 0.10950E+01 ppm1 0.432 ppm2 1.518 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "62 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4173 weight 0.10000E+01 volume 0.96500E+00 ppm1 0.430 ppm2 1.862 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "62 " and name "HG1 ") ) 2.700 2.700 0.000 peak 4174 weight 0.10000E+01 volume 0.34270E+01 ppm1 0.433 ppm2 2.035 ASSI ( (segid " " and resid "63 " and name "HA ") )( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4182 weight 0.10000E+01 volume 0.29130E+01 ppm1 4.062 ppm2 2.144 ASSI ( (segid " " and resid "63 " and name "HA ") )( (segid " " and resid "63 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4184 weight 0.10000E+01 volume 0.73500E+00 ppm1 4.058 ppm2 2.515 ASSI ( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") )( (segid " " and resid "63 " and name "HG2 ") ) 2.700 2.700 0.000 peak 4216 weight 0.10000E+01 volume 0.41560E+01 ppm1 2.125 ppm2 2.310 ASSI ( (segid " " and resid "63 " and name "HG2 ") )( (segid " " and resid "63 " and name "HA ") ) 3.300 3.300 0.000 peak 4208 weight 0.10000E+01 volume 0.16330E+01 ppm1 2.307 ppm2 4.075 ASSI ( (segid " " and resid "63 " and name "HG1 ") )( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4195 weight 0.10000E+01 volume 0.22610E+01 ppm1 2.509 ppm2 2.138 ASSI ( (segid " " and resid "63 " and name "HG2 ") )( (segid " " and resid "63 " and name "HG1 ") ) 2.700 2.700 0.000 peak 4205 weight 0.10000E+01 volume 0.74380E+01 ppm1 2.307 ppm2 2.513 ASSI ( (segid " " and resid "64 " and name "HA ") )( (segid " " and resid "64 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4232 weight 0.10000E+01 volume 0.49600E+00 ppm1 4.196 ppm2 3.358 ASSI ( (segid " " and resid "64 " and name "HA ") )( (segid " " and resid "64 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4233 weight 0.10000E+01 volume 0.38800E+00 ppm1 4.198 ppm2 3.283 ASSI ( (segid " " and resid "65 " and name "HA ") )( (segid " " and resid "65 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4261 weight 0.10000E+01 volume 0.14590E+01 ppm1 4.032 ppm2 1.697 ASSI ( (segid " " and resid "65 " and name "HA ") )( (segid " " and resid "65 " and name "HB2 ") ) 3.300 3.300 0.000 peak 4264 weight 0.10000E+01 volume 0.17130E+01 ppm1 4.031 ppm2 2.118 ASSI ( (segid " " and resid "65 " and name "HA ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 2.700 2.700 0.000 peak 4259 weight 0.10000E+01 volume 0.34360E+01 ppm1 4.031 ppm2 0.762 ASSI ( (segid " " and resid "65 " and name "HA ") )( (segid " " and resid "65 " and name "HG ") ) 5.000 5.000 0.000 peak 4262 weight 0.10000E+01 volume 0.12840E+01 ppm1 4.032 ppm2 1.872 ASSI ( (segid " " and resid "65 " and name "HB2 ") )( (segid " " and resid "65 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4273 weight 0.10000E+01 volume 0.25230E+01 ppm1 2.110 ppm2 1.695 ASSI ( (segid " " and resid "65 " and name "HB1 ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") ) 3.300 3.300 0.000 peak 4282 weight 0.10000E+01 volume 0.17270E+01 ppm1 1.690 ppm2 0.829 ASSI ( (segid " " and resid "65 " and name "HB2 ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") ) 3.300 3.300 0.000 peak 4271 weight 0.10000E+01 volume 0.15370E+01 ppm1 2.110 ppm2 0.829 ASSI ( (segid " " and resid "65 " and name "HB2 ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 5.000 5.000 0.000 peak 4272 weight 0.10000E+01 volume 0.13940E+01 ppm1 2.109 ppm2 0.760 ASSI ( (segid " " and resid "65 " and name "HB2 ") )( (segid " " and resid "65 " and name "HG ") ) 5.000 5.000 0.000 peak 4274 weight 0.10000E+01 volume 0.11410E+01 ppm1 2.109 ppm2 1.865 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 2.700 2.700 0.000 peak 4311 weight 0.10000E+01 volume 0.22144E+02 ppm1 0.818 ppm2 0.760 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "65 " and name "HG ") ) 3.300 3.300 0.000 peak 4315 weight 0.10000E+01 volume 0.22620E+01 ppm1 0.818 ppm2 1.883 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") )( (segid " " and resid "65 " and name "HB1 ") ) 2.700 2.700 0.000 peak 8298 weight 0.10000E+01 volume 0.42550E+01 ppm1 0.756 ppm2 1.693 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "65 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4297 weight 0.10000E+01 volume 0.19280E+01 ppm1 1.866 ppm2 1.696 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 3.300 3.300 0.000 peak 4294 weight 0.10000E+01 volume 0.25210E+01 ppm1 1.866 ppm2 0.761 ASSI ( (segid " " and resid "66 " and name "HA ") )( (segid " " and resid "66 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4504 weight 0.10000E+01 volume 0.20860E+01 ppm1 4.524 ppm2 2.687 ASSI ( (segid " " and resid "66 " and name "HA ") )( (segid " " and resid "66 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4503 weight 0.10000E+01 volume 0.12670E+01 ppm1 4.524 ppm2 2.889 ASSI ( (segid " " and resid "66 " and name "HB2 ") )( (segid " " and resid "66 " and name "HB1 ") ) 2.700 2.700 0.000 peak 4340 weight 0.10000E+01 volume 0.38350E+01 ppm1 2.889 ppm2 2.687 ASSI ( (segid " " and resid "67 " and name "HA ") )( (segid " " and resid "67 " and name "HB2 ") OR (segid " " and resid "67 " and name "HB1 ") ) 2.700 2.700 0.000 peak 4353 weight 0.10000E+01 volume 0.36100E+01 ppm1 4.112 ppm2 1.886 ASSI ( (segid " " and resid "67 " and name "HA ") )( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4355 weight 0.10000E+01 volume 0.37700E+00 ppm1 4.112 ppm2 3.150 ASSI ( (segid " " and resid "67 " and name "HA ") )( (segid " " and resid "67 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4352 weight 0.10000E+01 volume 0.12550E+01 ppm1 4.113 ppm2 1.813 ASSI ( (segid " " and resid "67 " and name "HA ") )( (segid " " and resid "67 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4351 weight 0.10000E+01 volume 0.12760E+01 ppm1 4.111 ppm2 1.642 ASSI ( (segid " " and resid "67 " and name "HB2 ") OR (segid " " and resid "67 " and name "HB1 ") )( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4361 weight 0.10000E+01 volume 0.11720E+01 ppm1 1.878 ppm2 3.150 ASSI ( (segid " " and resid "67 " and name "HG1 ") )( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4354 weight 0.10000E+01 volume 0.90300E+00 ppm1 1.797 ppm2 3.153 ASSI ( (segid " " and resid "67 " and name "HG2 ") )( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4358 weight 0.10000E+01 volume 0.12150E+01 ppm1 1.636 ppm2 3.149 ASSI ( (segid " " and resid "68 " and name "HA ") )( (segid " " and resid "68 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4367 weight 0.10000E+01 volume 0.19610E+01 ppm1 4.088 ppm2 2.124 ASSI ( (segid " " and resid "68 " and name "HA ") )( (segid " " and resid "68 " and name "HB2 ") ) 3.300 3.300 0.000 peak 4366 weight 0.10000E+01 volume 0.15700E+01 ppm1 4.089 ppm2 2.035 ASSI ( (segid " " and resid "68 " and name "HA ") )( (segid " " and resid "68 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4368 weight 0.10000E+01 volume 0.11310E+01 ppm1 4.090 ppm2 2.324 ASSI ( (segid " " and resid "68 " and name "HG2 ") )( (segid " " and resid "68 " and name "HA ") ) 3.300 3.300 0.000 peak 4382 weight 0.10000E+01 volume 0.16330E+01 ppm1 2.275 ppm2 4.094 ASSI ( (segid " " and resid "69 " and name "HA ") )( (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "69 " and name "HB2 ") OR (segid " " and resid "69 " and name "HB1 ") ) 2.700 2.700 0.000 peak 4388 weight 0.10000E+01 volume 0.48730E+01 ppm1 4.219 ppm2 1.515 ASSI ( (segid " " and resid "70 " and name "HA ") )( (segid " " and resid "70 " and name "HB3 ") OR (segid " " and resid "70 " and name "HB2 ") OR (segid " " and resid "70 " and name "HB1 ") ) 2.700 2.700 0.000 peak 4399 weight 0.10000E+01 volume 0.89550E+01 ppm1 4.212 ppm2 1.431 ASSI ( (segid " " and resid "71 " and name "HB3 ") OR (segid " " and resid "71 " and name "HB2 ") OR (segid " " and resid "71 " and name "HB1 ") )( (segid " " and resid "71 " and name "HA ") ) 2.700 2.700 0.000 peak 1853 weight 0.10000E+01 volume 0.10675E+02 ppm1 1.412 ppm2 4.223 ASSI ( (segid " " and resid "72 " and name "HA ") )( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "72 " and name "HD11") ) 5.000 5.000 0.000 peak 1954 weight 0.10000E+01 volume 0.67400E+00 ppm1 4.312 ppm2 0.924 ASSI ( (segid " " and resid "72 " and name "HB1 ") )( (segid " " and resid "72 " and name "HA ") ) 5.000 5.000 0.000 peak 4403 weight 0.10000E+01 volume 0.14600E+01 ppm1 1.738 ppm2 4.323 ASSI ( (segid " " and resid "72 " and name "HB2 ") )( (segid " " and resid "72 " and name "HA ") ) 5.000 5.000 0.000 peak 4405 weight 0.10000E+01 volume 0.13080E+01 ppm1 1.616 ppm2 4.315 ASSI ( (segid " " and resid "72 " and name "HB1 ") )( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "72 " and name "HD11") ) 3.300 3.300 0.000 peak 4564 weight 0.10000E+01 volume 0.15690E+01 ppm1 1.738 ppm2 0.932 ASSI ( (segid " " and resid "72 " and name "HB2 ") )( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "72 " and name "HD11") ) 5.000 5.000 0.000 peak 4566 weight 0.10000E+01 volume 0.12330E+01 ppm1 1.611 ppm2 0.932 ASSI ( (segid " " and resid "72 " and name "HB1 ") )( (segid " " and resid "72 " and name "HD23") OR (segid " " and resid "72 " and name "HD22") OR (segid " " and resid "72 " and name "HD21") ) 3.300 3.300 0.000 peak 4565 weight 0.10000E+01 volume 0.18830E+01 ppm1 1.738 ppm2 0.871 ASSI ( (segid " " and resid "72 " and name "HB2 ") )( (segid " " and resid "72 " and name "HD23") OR (segid " " and resid "72 " and name "HD22") OR (segid " " and resid "72 " and name "HD21") ) 5.000 5.000 0.000 peak 4567 weight 0.10000E+01 volume 0.11940E+01 ppm1 1.612 ppm2 0.869 ASSI ( (segid " " and resid "72 " and name "HD23") OR (segid " " and resid "72 " and name "HD22") OR (segid " " and resid "72 " and name "HD21") )( (segid " " and resid "72 " and name "HA ") ) 3.300 3.300 0.000 peak 4412 weight 0.10000E+01 volume 0.21830E+01 ppm1 0.865 ppm2 4.320 ASSI ( (segid " " and resid "72 " and name "HG ") )( (segid " " and resid "72 " and name "HA ") ) 5.000 5.000 0.000 peak 4407 weight 0.10000E+01 volume 0.43100E+00 ppm1 1.707 ppm2 4.316 ASSI ( (segid " " and resid "72 " and name "HG ") )( (segid " " and resid "72 " and name "HB1 ") ) 2.700 2.700 0.000 peak 8625 weight 0.10000E+01 volume 0.23392E+02 ppm1 1.707 ppm2 1.744 ASSI ( (segid " " and resid "72 " and name "HG ") )( (segid " " and resid "72 " and name "HB2 ") ) 2.700 2.700 0.000 peak 8624 weight 0.10000E+01 volume 0.31400E+01 ppm1 1.707 ppm2 1.625 ASSI ( (segid " " and resid "73 " and name "HB ") )( (segid " " and resid "73 " and name "HG23") OR (segid " " and resid "73 " and name "HG22") OR (segid " " and resid "73 " and name "HG21") ) 3.300 3.300 0.000 peak 4418 weight 0.10000E+01 volume 0.15930E+01 ppm1 4.222 ppm2 1.194 ASSI ( (segid " " and resid "73 " and name "HG23") OR (segid " " and resid "73 " and name "HG22") OR (segid " " and resid "73 " and name "HG21") )( (segid " " and resid "73 " and name "HA ") ) 3.300 3.300 0.000 peak 4422 weight 0.10000E+01 volume 0.18110E+01 ppm1 1.187 ppm2 4.310 ASSI ( (segid " " and resid "74 " and name "HA ") )( (segid " " and resid "74 " and name "HG2 ") OR (segid " " and resid "74 " and name "HG1 ") ) 5.000 5.000 0.000 peak 1858 weight 0.10000E+01 volume 0.87300E+00 ppm1 4.327 ppm2 1.605 ASSI ( (segid " " and resid "74 " and name "HB1 ") )( (segid " " and resid "74 " and name "HA ") ) 5.000 5.000 0.000 peak 4430 weight 0.10000E+01 volume 0.58900E+00 ppm1 1.847 ppm2 4.337 ASSI ( (segid " " and resid "74 " and name "HB2 ") )( (segid " " and resid "74 " and name "HA ") ) 5.000 5.000 0.000 peak 4434 weight 0.10000E+01 volume 0.60600E+00 ppm1 1.768 ppm2 4.338 ASSI ( (segid " " and resid "74 " and name "HB1 ") )( (segid " " and resid "74 " and name "HG2 ") OR (segid " " and resid "74 " and name "HG1 ") ) 2.700 2.700 0.000 peak 4428 weight 0.10000E+01 volume 0.48920E+01 ppm1 1.846 ppm2 1.598 ASSI ( (segid " " and resid "74 " and name "HB2 ") )( (segid " " and resid "74 " and name "HG2 ") OR (segid " " and resid "74 " and name "HG1 ") ) 2.700 2.700 0.000 peak 4432 weight 0.10000E+01 volume 0.48970E+01 ppm1 1.769 ppm2 1.596 ASSI ( (segid " " and resid "74 " and name "HG2 ") OR (segid " " and resid "74 " and name "HG1 ") )( (segid " " and resid "74 " and name "HD2 ") OR (segid " " and resid "74 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4436 weight 0.10000E+01 volume 0.72000E+00 ppm1 1.608 ppm2 3.167 ASSI ( (segid " " and resid "5 " and name "HN ") )( (segid " " and resid "5 " and name "HA ") ) 5.000 5.000 0.000 peak 5108 weight 0.10000E+01 volume 0.54700E+00 ppm1 8.149 ppm2 4.154 ASSI ( (segid " " and resid "5 " and name "HN ") )( (segid " " and resid "5 " and name "HB ") ) 5.000 5.000 0.000 peak 5105 weight 0.10000E+01 volume 0.94500E+00 ppm1 8.148 ppm2 2.017 ASSI ( (segid " " and resid "6 " and name "HN ") )( (segid " " and resid "6 " and name "HA ") ) 5.000 5.000 0.000 peak 5130 weight 0.10000E+01 volume 0.59100E+00 ppm1 8.335 ppm2 4.271 ASSI ( (segid " " and resid "7 " and name "HN ") )( (segid " " and resid "7 " and name "HA ") ) 2.700 2.700 0.000 peak 4715 weight 0.10000E+01 volume 0.45500E+01 ppm1 8.398 ppm2 4.250 ASSI ( (segid " " and resid "8 " and name "HN ") )( (segid " " and resid "8 " and name "HA ") ) 5.000 5.000 0.000 peak 5298 weight 0.10000E+01 volume 0.88700E+00 ppm1 8.481 ppm2 4.597 ASSI ( (segid " " and resid "9 " and name "HN ") )( (segid " " and resid "9 " and name "HA ") ) 5.000 5.000 0.000 peak 4573 weight 0.10000E+01 volume 0.62300E+00 ppm1 9.149 ppm2 4.437 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "10 " and name "HA ") ) 5.000 5.000 0.000 peak 4886 weight 0.10000E+01 volume 0.11020E+01 ppm1 7.691 ppm2 4.211 ASSI ( (segid " " and resid "11 " and name "HN ") )( (segid " " and resid "11 " and name "HA ") ) 5.000 5.000 0.000 peak 5119 weight 0.10000E+01 volume 0.79000E+00 ppm1 8.204 ppm2 4.481 ASSI ( (segid " " and resid "12 " and name "HN ") )( (segid " " and resid "12 " and name "HA ") ) 5.000 5.000 0.000 peak 5574 weight 0.10000E+01 volume 0.95500E+00 ppm1 8.200 ppm2 5.044 ASSI ( (segid " " and resid "13 " and name "HN ") )( (segid " " and resid "13 " and name "HA ") ) 6.000 6.000 0.000 peak 5205 weight 0.10000E+01 volume 0.13000E+00 ppm1 9.323 ppm2 4.357 ASSI ( (segid " " and resid "14 " and name "HN ") )( (segid " " and resid "14 " and name "HA ") ) 5.000 5.000 0.000 peak 5545 weight 0.10000E+01 volume 0.72800E+00 ppm1 8.099 ppm2 4.469 ASSI ( (segid " " and resid "15 " and name "HN ") )( (segid " " and resid "15 " and name "HA ") ) 5.000 5.000 0.000 peak 5249 weight 0.10000E+01 volume 0.94800E+00 ppm1 8.821 ppm2 4.814 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "16 " and name "HA ") ) 5.000 5.000 0.000 peak 4779 weight 0.10000E+01 volume 0.10110E+01 ppm1 9.071 ppm2 4.464 ASSI ( (segid " " and resid "17 " and name "HN ") )( (segid " " and resid "17 " and name "HA ") ) 3.300 3.300 0.000 peak 1884 weight 0.10000E+01 volume 0.24320E+01 ppm1 7.788 ppm2 4.533 ASSI ( (segid " " and resid "21 " and name "HN ") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 5555 weight 0.10000E+01 volume 0.12400E+01 ppm1 8.040 ppm2 3.666 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "23 " and name "HA ") ) 3.300 3.300 0.000 peak 5280 weight 0.10000E+01 volume 0.20720E+01 ppm1 8.430 ppm2 4.151 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "23 " and name "HA ") ) 5.000 5.000 0.000 peak 4831 weight 0.10000E+01 volume 0.11510E+01 ppm1 7.738 ppm2 4.229 ASSI ( (segid " " and resid "24 " and name "HN ") )( (segid " " and resid "24 " and name "HA ") ) 5.000 5.000 0.000 peak 1886 weight 0.10000E+01 volume 0.12350E+01 ppm1 7.697 ppm2 4.674 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "25 " and name "HA ") ) 3.300 3.300 0.000 peak 5265 weight 0.10000E+01 volume 0.19540E+01 ppm1 8.824 ppm2 4.672 ASSI ( (segid " " and resid "26 " and name "HN ") )( (segid " " and resid "26 " and name "HA ") ) 5.000 5.000 0.000 peak 5008 weight 0.10000E+01 volume 0.98200E+00 ppm1 7.673 ppm2 4.985 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "27 " and name "HA ") ) 5.000 5.000 0.000 peak 5067 weight 0.10000E+01 volume 0.68300E+00 ppm1 7.850 ppm2 5.891 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "28 " and name "HA ") ) 5.000 5.000 0.000 peak 4696 weight 0.10000E+01 volume 0.11560E+01 ppm1 8.702 ppm2 4.469 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "30 " and name "HA ") ) 5.000 5.000 0.000 peak 5209 weight 0.10000E+01 volume 0.93000E+00 ppm1 8.688 ppm2 4.726 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "31 " and name "HA ") ) 5.000 5.000 0.000 peak 5373 weight 0.10000E+01 volume 0.10190E+01 ppm1 7.977 ppm2 4.227 ASSI ( (segid " " and resid "32 " and name "HN ") )( (segid " " and resid "32 " and name "HA ") ) 5.000 5.000 0.000 peak 4628 weight 0.10000E+01 volume 0.12510E+01 ppm1 8.766 ppm2 4.089 ASSI ( (segid " " and resid "33 " and name "HN ") )( (segid " " and resid "33 " and name "HA ") ) 3.300 3.300 0.000 peak 5501 weight 0.10000E+01 volume 0.18590E+01 ppm1 8.059 ppm2 4.340 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "34 " and name "HA ") ) 5.000 5.000 0.000 peak 5044 weight 0.10000E+01 volume 0.11930E+01 ppm1 7.635 ppm2 5.021 ASSI ( (segid " " and resid "35 " and name "HN ") )( (segid " " and resid "35 " and name "HA1 ") ) 3.300 3.300 0.000 peak 5342 weight 0.10000E+01 volume 0.16350E+01 ppm1 8.340 ppm2 4.275 ASSI ( (segid " " and resid "35 " and name "HN ") )( (segid " " and resid "35 " and name "HA2 ") ) 3.300 3.300 0.000 peak 5341 weight 0.10000E+01 volume 0.18980E+01 ppm1 8.340 ppm2 3.647 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "36 " and name "HA ") ) 5.000 5.000 0.000 peak 5528 weight 0.10000E+01 volume 0.94800E+00 ppm1 8.030 ppm2 4.038 ASSI ( (segid " " and resid "37 " and name "HN ") )( (segid " " and resid "37 " and name "HA ") ) 5.000 5.000 0.000 peak 5332 weight 0.10000E+01 volume 0.86100E+00 ppm1 8.307 ppm2 4.173 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "39 " and name "HA ") ) 5.000 5.000 0.000 peak 4907 weight 0.10000E+01 volume 0.54300E+00 ppm1 9.040 ppm2 4.473 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "40 " and name "HA ") ) 5.000 5.000 0.000 peak 4588 weight 0.10000E+01 volume 0.41900E+00 ppm1 9.347 ppm2 4.907 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "42 " and name "HA ") ) 5.000 5.000 0.000 peak 5312 weight 0.10000E+01 volume 0.51700E+00 ppm1 8.552 ppm2 5.618 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "43 " and name "HA ") ) 5.000 5.000 0.000 peak 4676 weight 0.10000E+01 volume 0.10340E+01 ppm1 8.954 ppm2 5.440 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "44 " and name "HA ") ) 5.000 5.000 0.000 peak 4921 weight 0.10000E+01 volume 0.11440E+01 ppm1 8.647 ppm2 3.757 ASSI ( (segid " " and resid "44 " and name "HE ") )( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4992 weight 0.10000E+01 volume 0.76100E+00 ppm1 7.207 ppm2 3.173 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "45 " and name "HA ") ) 5.000 5.000 0.000 peak 4814 weight 0.10000E+01 volume 0.11340E+01 ppm1 7.408 ppm2 4.253 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "46 " and name "HA ") ) 2.700 2.700 0.000 peak 5351 weight 0.10000E+01 volume 0.36700E+01 ppm1 8.394 ppm2 4.402 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "47 " and name "HA ") ) 3.300 3.300 0.000 peak 4969 weight 0.10000E+01 volume 0.25250E+01 ppm1 7.079 ppm2 4.397 ASSI ( (segid " " and resid "47 " and name "HE ") )( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") ) 5.000 5.000 0.000 peak 5612 weight 0.10000E+01 volume 0.35500E+00 ppm1 7.084 ppm2 3.151 ASSI ( (segid " " and resid "48 " and name "HN ") )( (segid " " and resid "48 " and name "HA ") ) 5.000 5.000 0.000 peak 5455 weight 0.10000E+01 volume 0.59000E+00 ppm1 7.854 ppm2 5.451 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "49 " and name "HA ") ) 5.000 5.000 0.000 peak 4802 weight 0.10000E+01 volume 0.60900E+00 ppm1 8.976 ppm2 4.682 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "50 " and name "HA ") ) 5.000 5.000 0.000 peak 4959 weight 0.10000E+01 volume 0.65200E+00 ppm1 9.220 ppm2 5.098 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "51 " and name "HA ") ) 5.000 5.000 0.000 peak 4602 weight 0.10000E+01 volume 0.78900E+00 ppm1 9.812 ppm2 4.839 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "52 " and name "HA ") ) 5.000 5.000 0.000 peak 1938 weight 0.10000E+01 volume 0.11520E+01 ppm1 8.684 ppm2 4.749 ASSI ( (segid " " and resid "54 " and name "HN ") )( (segid " " and resid "54 " and name "HA ") ) 3.300 3.300 0.000 peak 4750 weight 0.10000E+01 volume 0.17350E+01 ppm1 8.204 ppm2 3.990 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "55 " and name "HA ") ) 5.000 5.000 0.000 peak 5032 weight 0.10000E+01 volume 0.11920E+01 ppm1 7.567 ppm2 4.138 ASSI ( (segid " " and resid "56 " and name "HN ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 4617 weight 0.10000E+01 volume 0.98700E+00 ppm1 9.025 ppm2 3.592 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "57 " and name "HA ") ) 5.000 5.000 0.000 peak 4658 weight 0.10000E+01 volume 0.13540E+01 ppm1 8.963 ppm2 4.439 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "57 " and name "HD1 ") ) 2.700 2.700 0.000 peak 4761 weight 0.10000E+01 volume 0.32040E+01 ppm1 10.308 ppm2 7.611 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "58 " and name "HA ") ) 5.000 5.000 0.000 peak 5622 weight 0.10000E+01 volume 0.76900E+00 ppm1 6.179 ppm2 2.549 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "59 " and name "HA ") ) 5.000 5.000 0.000 peak 5591 weight 0.10000E+01 volume 0.99700E+00 ppm1 7.295 ppm2 3.776 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "60 " and name "HA ") ) 3.300 3.300 0.000 peak 4936 weight 0.10000E+01 volume 0.15940E+01 ppm1 8.702 ppm2 4.287 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "61 " and name "HA ") ) 5.000 5.000 0.000 peak 4729 weight 0.10000E+01 volume 0.13110E+01 ppm1 8.073 ppm2 3.994 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 4847 weight 0.10000E+01 volume 0.10680E+01 ppm1 8.242 ppm2 3.351 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "63 " and name "HA ") ) 5.000 5.000 0.000 peak 4866 weight 0.10000E+01 volume 0.13490E+01 ppm1 7.704 ppm2 4.040 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "65 " and name "HA ") ) 5.000 5.000 0.000 peak 5150 weight 0.10000E+01 volume 0.12540E+01 ppm1 8.534 ppm2 4.014 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "66 " and name "HA ") ) 5.000 5.000 0.000 peak 5184 weight 0.10000E+01 volume 0.13110E+01 ppm1 8.923 ppm2 4.516 ASSI ( (segid " " and resid "68 " and name "HN ") )( (segid " " and resid "68 " and name "HA ") ) 3.300 3.300 0.000 peak 5079 weight 0.10000E+01 volume 0.22360E+01 ppm1 7.908 ppm2 4.069 ASSI ( (segid " " and resid "69 " and name "HN ") )( (segid " " and resid "69 " and name "HA ") ) 3.300 3.300 0.000 peak 5515 weight 0.10000E+01 volume 0.17680E+01 ppm1 7.936 ppm2 4.203 ASSI ( (segid " " and resid "70 " and name "HN ") )( (segid " " and resid "70 " and name "HA ") ) 3.300 3.300 0.000 peak 5479 weight 0.10000E+01 volume 0.26480E+01 ppm1 7.866 ppm2 4.203 ASSI ( (segid " " and resid "71 " and name "HN ") )( (segid " " and resid "71 " and name "HA ") ) 2.700 2.700 0.000 peak 5491 weight 0.10000E+01 volume 0.30020E+01 ppm1 7.782 ppm2 4.202 ASSI ( (segid " " and resid "72 " and name "HN ") )( (segid " " and resid "72 " and name "HA ") ) 3.300 3.300 0.000 peak 5096 weight 0.10000E+01 volume 0.15270E+01 ppm1 7.837 ppm2 4.304 ASSI ( (segid " " and resid "73 " and name "HN ") )( (segid " " and resid "73 " and name "HA ") ) 3.300 3.300 0.000 peak 5403 weight 0.10000E+01 volume 0.26780E+01 ppm1 7.868 ppm2 4.297 ASSI ( (segid " " and resid "74 " and name "HN ") )( (segid " " and resid "74 " and name "HA ") ) 3.300 3.300 0.000 peak 5562 weight 0.10000E+01 volume 0.29400E+01 ppm1 8.162 ppm2 4.300 ASSI ( (segid " " and resid "75 " and name "HN ") )( (segid " " and resid "75 " and name "HA ") ) 5.000 5.000 0.000 peak 5137 weight 0.10000E+01 volume 0.12650E+01 ppm1 8.440 ppm2 4.739 ASSI ( (segid " " and resid "76 " and name "HN ") )( (segid " " and resid "76 " and name "HA2 ") OR (segid " " and resid "76 " and name "HA1 ") ) 5.000 5.000 0.000 peak 4840 weight 0.10000E+01 volume 0.44700E+00 ppm1 7.940 ppm2 3.709 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "30 " and name "HD22") ) 6.000 6.000 0.000 peak 3196 weight 0.10000E+01 volume 0.23800E+00 ppm1 0.747 ppm2 6.787 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "38 " and name "HN ") ) 6.000 6.000 0.000 peak 3200 weight 0.10000E+01 volume 0.78000E-01 ppm1 0.745 ppm2 7.818 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 5.000 5.000 0.000 peak 5730 weight 0.10000E+01 volume 0.31000E+00 ppm1 7.319 ppm2 -0.834 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "18 " and name "HA ") ) 5.000 5.000 0.000 peak 5732 weight 0.10000E+01 volume 0.35100E+00 ppm1 7.319 ppm2 0.700 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5734 weight 0.10000E+01 volume 0.41400E+00 ppm1 7.319 ppm2 1.085 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "17 " and name "HA ") ) 6.000 6.000 0.000 peak 5736 weight 0.10000E+01 volume 0.14100E+00 ppm1 7.319 ppm2 4.551 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "19 " and name "HN ") ) 6.000 6.000 0.000 peak 5737 weight 0.10000E+01 volume 0.14700E+00 ppm1 7.320 ppm2 5.312 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") ) 5.000 5.000 0.000 peak 7262 weight 0.10000E+01 volume 0.10160E+01 ppm1 6.814 ppm2 1.742 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "62 " and name "HG2 ") ) 6.000 6.000 0.000 peak 5669 weight 0.10000E+01 volume 0.19600E+00 ppm1 6.815 ppm2 0.442 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 5.000 5.000 0.000 peak 5670 weight 0.10000E+01 volume 0.63900E+00 ppm1 6.815 ppm2 0.719 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") ) 5.000 5.000 0.000 peak 5671 weight 0.10000E+01 volume 0.65300E+00 ppm1 6.814 ppm2 0.819 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "62 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5672 weight 0.10000E+01 volume 0.23800E+00 ppm1 6.815 ppm2 1.520 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "65 " and name "HG ") OR (segid " " and resid "62 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5674 weight 0.10000E+01 volume 0.40500E+00 ppm1 6.812 ppm2 1.881 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "65 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5675 weight 0.10000E+01 volume 0.72200E+00 ppm1 6.816 ppm2 2.112 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 5678 weight 0.10000E+01 volume 0.69800E+00 ppm1 6.814 ppm2 3.365 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "65 " and name "HA ") OR (segid " " and resid "63 " and name "HA ") ) 6.000 6.000 0.000 peak 5679 weight 0.10000E+01 volume 0.12500E+00 ppm1 6.814 ppm2 4.050 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "66 " and name "HA ") OR (segid " " and resid "28 " and name "HA ") ) 5.000 5.000 0.000 peak 5680 weight 0.10000E+01 volume 0.32200E+00 ppm1 6.813 ppm2 4.503 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "27 " and name "HN ") ) 6.000 6.000 0.000 peak 5684 weight 0.10000E+01 volume 0.13300E+00 ppm1 6.814 ppm2 7.864 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "65 " and name "HN ") OR (segid " " and resid "26 " and name "HE1 ") ) 6.000 6.000 0.000 peak 5685 weight 0.10000E+01 volume 0.16000E+00 ppm1 6.815 ppm2 8.529 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "66 " and name "HN ") ) 5.000 5.000 0.000 peak 5686 weight 0.10000E+01 volume 0.32000E+00 ppm1 6.815 ppm2 8.909 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 5.000 5.000 0.000 peak 8400 weight 0.10000E+01 volume 0.46300E+00 ppm1 6.971 ppm2 0.717 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 8402 weight 0.10000E+01 volume 0.59000E+00 ppm1 6.971 ppm2 0.757 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 8404 weight 0.10000E+01 volume 0.47400E+00 ppm1 6.973 ppm2 0.808 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "65 " and name "HG ") ) 5.000 5.000 0.000 peak 8409 weight 0.10000E+01 volume 0.34500E+00 ppm1 6.974 ppm2 1.876 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "21 " and name "HB ") ) 6.000 6.000 0.000 peak 8410 weight 0.10000E+01 volume 0.24100E+00 ppm1 6.974 ppm2 1.939 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "68 " and name "HB1 ") OR (segid " " and resid "65 " and name "HB2 ") OR (segid " " and resid "24 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8411 weight 0.10000E+01 volume 0.97000E-01 ppm1 6.971 ppm2 2.128 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "64 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8413 weight 0.10000E+01 volume 0.27200E+00 ppm1 6.973 ppm2 3.294 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "64 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8415 weight 0.10000E+01 volume 0.35400E+00 ppm1 6.973 ppm2 3.357 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "65 " and name "HN ") ) 6.000 6.000 0.000 peak 8419 weight 0.10000E+01 volume 0.91000E-01 ppm1 6.973 ppm2 8.528 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "65 " and name "HA ") ) 6.000 6.000 0.000 peak 8417 weight 0.10000E+01 volume 0.26800E+00 ppm1 6.978 ppm2 4.037 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 5.000 5.000 0.000 peak 5746 weight 0.10000E+01 volume 0.46800E+00 ppm1 6.662 ppm2 0.712 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") OR (segid " " and resid "24 " and name "HD23") ) 5.000 5.000 0.000 peak 5747 weight 0.10000E+01 volume 0.10220E+01 ppm1 6.665 ppm2 0.845 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 5748 weight 0.10000E+01 volume 0.47300E+00 ppm1 6.663 ppm2 1.003 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 5751 weight 0.10000E+01 volume 0.51500E+00 ppm1 6.664 ppm2 5.314 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "57 " and name "HE3 ") ) 5.000 5.000 0.000 peak 5754 weight 0.10000E+01 volume 0.13050E+01 ppm1 6.666 ppm2 7.330 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "19 " and name "HB ") ) 5.000 5.000 0.000 peak 5749 weight 0.10000E+01 volume 0.40600E+00 ppm1 6.662 ppm2 1.315 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "19 " and name "HG11") OR (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG21") ) 5.000 5.000 0.000 peak 5750 weight 0.10000E+01 volume 0.50900E+00 ppm1 6.665 ppm2 1.423 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "64 " and name "HA ") ) 6.000 6.000 0.000 peak 8418 weight 0.10000E+01 volume 0.89000E-01 ppm1 6.973 ppm2 4.199 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "64 " and name "HN ") ) 6.000 6.000 0.000 peak 8420 weight 0.10000E+01 volume 0.64000E-01 ppm1 6.979 ppm2 8.135 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 5744 weight 0.10000E+01 volume 0.11500E+00 ppm1 6.663 ppm2 -0.836 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "58 " and name "HA ") OR (segid " " and resid "49 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8010 weight 0.10000E+01 volume 0.76000E-01 ppm1 6.667 ppm2 2.575 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "28 " and name "HE22") OR (segid " " and resid "9 " and name "HD22") ) 6.000 6.000 0.000 peak 3197 weight 0.10000E+01 volume 0.12000E+00 ppm1 0.746 ppm2 6.863 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "34 " and name "HB2 ") OR (segid " " and resid "12 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3189 weight 0.10000E+01 volume 0.21500E+00 ppm1 0.747 ppm2 3.001 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "39 " and name "HB ") OR (segid " " and resid "10 " and name "HB ") ) 5.000 5.000 0.000 peak 3182 weight 0.10000E+01 volume 0.36200E+00 ppm1 0.742 ppm2 1.735 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "29 " and name "HB1 ") OR (segid " " and resid "28 " and name "HG2 ") ) 5.000 5.000 0.000 peak 3183 weight 0.10000E+01 volume 0.37100E+00 ppm1 0.744 ppm2 2.152 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "28 " and name "HG1 ") ) 6.000 6.000 0.000 peak 3185 weight 0.10000E+01 volume 0.18000E+00 ppm1 0.746 ppm2 2.287 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "50 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3186 weight 0.10000E+01 volume 0.33500E+00 ppm1 0.746 ppm2 2.529 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "30 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3187 weight 0.10000E+01 volume 0.85500E+00 ppm1 0.746 ppm2 2.709 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "30 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3188 weight 0.10000E+01 volume 0.66800E+00 ppm1 0.747 ppm2 2.838 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "37 " and name "HA ") OR (segid " " and resid "10 " and name "HA ") ) 6.000 6.000 0.000 peak 3191 weight 0.10000E+01 volume 0.11100E+00 ppm1 0.747 ppm2 4.225 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "39 " and name "HA ") OR (segid " " and resid "29 " and name "HA ") ) 5.000 5.000 0.000 peak 3192 weight 0.10000E+01 volume 0.42600E+00 ppm1 0.748 ppm2 4.495 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "50 " and name "HA ") ) 5.000 5.000 0.000 peak 3195 weight 0.10000E+01 volume 0.10210E+01 ppm1 0.749 ppm2 5.123 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "30 " and name "HD21") ) 6.000 6.000 0.000 peak 3198 weight 0.10000E+01 volume 0.23700E+00 ppm1 0.745 ppm2 7.293 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "28 " and name "HE21") OR (segid " " and resid "9 " and name "HD21") ) 6.000 6.000 0.000 peak 3199 weight 0.10000E+01 volume 0.13000E+00 ppm1 0.748 ppm2 7.579 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "31 " and name "HN ") ) 6.000 6.000 0.000 peak 3201 weight 0.10000E+01 volume 0.28300E+00 ppm1 0.746 ppm2 7.972 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "30 " and name "HN ") ) 5.000 5.000 0.000 peak 3203 weight 0.10000E+01 volume 0.36900E+00 ppm1 0.746 ppm2 8.685 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "49 " and name "HN ") OR (segid " " and resid "39 " and name "HN ") ) 6.000 6.000 0.000 peak 3204 weight 0.10000E+01 volume 0.15100E+00 ppm1 0.747 ppm2 9.018 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "40 " and name "HN ") ) 5.000 5.000 0.000 peak 3205 weight 0.10000E+01 volume 0.58600E+00 ppm1 0.745 ppm2 9.345 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "41 " and name "HN ") ) 5.000 5.000 0.000 peak 3206 weight 0.10000E+01 volume 0.40700E+00 ppm1 0.745 ppm2 9.430 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "51 " and name "HN ") ) 5.000 5.000 0.000 peak 3207 weight 0.10000E+01 volume 0.31000E+00 ppm1 0.746 ppm2 9.811 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "12 " and name "HN ") OR (segid " " and resid "11 " and name "HN ") ) 6.000 6.000 0.000 peak 3202 weight 0.10000E+01 volume 0.86000E-01 ppm1 0.745 ppm2 8.200 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "50 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3190 weight 0.10000E+01 volume 0.13400E+00 ppm1 0.747 ppm2 3.747 ASSI ( (segid " " and resid "46 " and name "HD2 ") )( (segid " " and resid "45 " and name "HA ") ) 6.000 6.000 0.000 peak 8398 weight 0.10000E+01 volume 0.21200E+00 ppm1 7.168 ppm2 4.268 ASSI ( (segid " " and resid "26 " and name "HD2 ") )( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") OR (segid " " and resid "25 " and name "HG23") ) 5.000 5.000 0.000 peak 5839 weight 0.10000E+01 volume 0.36400E+00 ppm1 7.302 ppm2 0.711 ASSI ( (segid " " and resid "26 " and name "HD2 ") )( (segid " " and resid "25 " and name "HG11") ) 6.000 6.000 0.000 peak 5840 weight 0.10000E+01 volume 0.12900E+00 ppm1 7.304 ppm2 1.078 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 5714 weight 0.10000E+01 volume 0.13200E+00 ppm1 7.323 ppm2 -0.837 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "19 " and name "HD11") OR (segid " " and resid "18 " and name "HG2 ") ) 6.000 6.000 0.000 peak 5715 weight 0.10000E+01 volume 0.15100E+00 ppm1 7.322 ppm2 0.211 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "18 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5716 weight 0.10000E+01 volume 0.19400E+00 ppm1 7.324 ppm2 0.388 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") OR (segid " " and resid "24 " and name "HD23") ) 6.000 6.000 0.000 peak 5718 weight 0.10000E+01 volume 0.24900E+00 ppm1 7.325 ppm2 0.827 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5720 weight 0.10000E+01 volume 0.51000E+00 ppm1 7.324 ppm2 1.427 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "58 " and name "HA ") ) 6.000 6.000 0.000 peak 5721 weight 0.10000E+01 volume 0.26100E+00 ppm1 7.324 ppm2 2.566 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "19 " and name "HN ") ) 6.000 6.000 0.000 peak 5725 weight 0.10000E+01 volume 0.16200E+00 ppm1 7.323 ppm2 5.309 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "19 " and name "HB ") ) 6.000 6.000 0.000 peak 5719 weight 0.10000E+01 volume 0.15300E+00 ppm1 7.323 ppm2 1.298 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 5755 weight 0.10000E+01 volume 0.17900E+00 ppm1 6.570 ppm2 -0.837 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 5.000 5.000 0.000 peak 5756 weight 0.10000E+01 volume 0.38100E+00 ppm1 6.570 ppm2 0.249 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "19 " and name "HG12") ) 6.000 6.000 0.000 peak 5757 weight 0.10000E+01 volume 0.96000E-01 ppm1 6.568 ppm2 0.546 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") OR (segid " " and resid "18 " and name "HA ") ) 5.000 5.000 0.000 peak 5758 weight 0.10000E+01 volume 0.31400E+00 ppm1 6.572 ppm2 0.704 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 5759 weight 0.10000E+01 volume 0.11640E+01 ppm1 6.570 ppm2 0.846 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5760 weight 0.10000E+01 volume 0.48500E+00 ppm1 6.571 ppm2 1.081 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "19 " and name "HB ") ) 5.000 5.000 0.000 peak 8024 weight 0.10000E+01 volume 0.40600E+00 ppm1 6.570 ppm2 1.315 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "57 " and name "HZ2 ") ) 5.000 5.000 0.000 peak 5766 weight 0.10000E+01 volume 0.14810E+01 ppm1 6.572 ppm2 7.331 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 5762 weight 0.10000E+01 volume 0.31700E+00 ppm1 6.568 ppm2 5.310 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "55 " and name "HG2 ") ) 6.000 6.000 0.000 peak 5702 weight 0.10000E+01 volume 0.17500E+00 ppm1 7.622 ppm2 2.255 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 5699 weight 0.10000E+01 volume 0.11600E+00 ppm1 7.620 ppm2 -0.827 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "55 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5700 weight 0.10000E+01 volume 0.30900E+00 ppm1 7.621 ppm2 1.797 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "55 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5701 weight 0.10000E+01 volume 0.46800E+00 ppm1 7.621 ppm2 1.971 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 5708 weight 0.10000E+01 volume 0.11800E+00 ppm1 7.619 ppm2 6.175 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "59 " and name "HN ") OR (segid " " and resid "57 " and name "HZ2 ") OR (segid " " and resid "57 " and name "HE3 ") ) 6.000 6.000 0.000 peak 5709 weight 0.10000E+01 volume 0.13700E+00 ppm1 7.622 ppm2 7.331 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "57 " and name "HN ") ) 5.000 5.000 0.000 peak 5712 weight 0.10000E+01 volume 0.66400E+00 ppm1 7.622 ppm2 8.952 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "55 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5703 weight 0.10000E+01 volume 0.14600E+00 ppm1 7.621 ppm2 2.449 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "55 " and name "HA ") ) 6.000 6.000 0.000 peak 5706 weight 0.10000E+01 volume 0.84000E-01 ppm1 7.618 ppm2 4.157 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 3.300 3.300 0.000 peak 2246 weight 0.10000E+01 volume 0.25260E+01 ppm1 0.243 ppm2 0.853 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 2247 weight 0.10000E+01 volume 0.57100E+00 ppm1 0.240 ppm2 1.002 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2565 weight 0.10000E+01 volume 0.32800E+00 ppm1 0.241 ppm2 1.083 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "19 " and name "HB ") ) 2.700 2.700 0.000 peak 8515 weight 0.10000E+01 volume 0.40110E+01 ppm1 0.247 ppm2 1.350 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") OR (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 2.700 2.700 0.000 peak 8517 weight 0.10000E+01 volume 0.39120E+01 ppm1 0.245 ppm2 1.403 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "41 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2251 weight 0.10000E+01 volume 0.36000E+00 ppm1 0.241 ppm2 1.838 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "49 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2254 weight 0.10000E+01 volume 0.61800E+00 ppm1 0.241 ppm2 2.567 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "49 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2255 weight 0.10000E+01 volume 0.47700E+00 ppm1 0.240 ppm2 3.111 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "20 " and name "HD2 ") ) 6.000 6.000 0.000 peak 2256 weight 0.10000E+01 volume 0.16100E+00 ppm1 0.242 ppm2 3.451 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "20 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2257 weight 0.10000E+01 volume 0.15700E+00 ppm1 0.242 ppm2 3.610 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "16 " and name "HB ") ) 6.000 6.000 0.000 peak 2259 weight 0.10000E+01 volume 0.23300E+00 ppm1 0.241 ppm2 4.296 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "49 " and name "HA ") OR (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 2260 weight 0.10000E+01 volume 0.14600E+00 ppm1 0.243 ppm2 4.702 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 2261 weight 0.10000E+01 volume 0.37100E+00 ppm1 0.242 ppm2 5.308 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "57 " and name "HZ3 ") ) 5.000 5.000 0.000 peak 2263 weight 0.10000E+01 volume 0.31000E+00 ppm1 0.241 ppm2 6.676 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2264 weight 0.10000E+01 volume 0.11660E+01 ppm1 0.242 ppm2 7.139 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "57 " and name "HZ2 ") ) 5.000 5.000 0.000 peak 2265 weight 0.10000E+01 volume 0.31700E+00 ppm1 0.241 ppm2 7.315 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "49 " and name "HN ") OR (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 2266 weight 0.10000E+01 volume 0.11300E+00 ppm1 0.241 ppm2 8.964 ASSI ( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") )( (segid " " and resid "48 " and name "HB2 ") OR (segid " " and resid "47 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5697 weight 0.10000E+01 volume 0.26000E+00 ppm1 7.223 ppm2 1.613 ASSI ( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") )( (segid " " and resid "47 " and name "HG2 ") ) 5.000 5.000 0.000 peak 2052 weight 0.10000E+01 volume 0.72400E+00 ppm1 7.222 ppm2 1.359 ASSI ( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") )( (segid " " and resid "49 " and name "HN ") ) 6.000 6.000 0.000 peak 5695 weight 0.10000E+01 volume 0.27500E+00 ppm1 7.137 ppm2 8.970 ASSI ( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") )( (segid " " and resid "48 " and name "HA ") ) 6.000 6.000 0.000 peak 5694 weight 0.10000E+01 volume 0.10900E+00 ppm1 7.136 ppm2 5.472 ASSI ( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") )( (segid " " and resid "47 " and name "HG2 ") OR (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG21") ) 5.000 5.000 0.000 peak 1930 weight 0.10000E+01 volume 0.76100E+00 ppm1 7.138 ppm2 1.360 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "40 " and name "HG12") OR (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") OR (segid " " and resid "24 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5650 weight 0.10000E+01 volume 0.10500E+00 ppm1 6.703 ppm2 1.259 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "29 " and name "HN ") ) 6.000 6.000 0.000 peak 5668 weight 0.10000E+01 volume 0.10900E+00 ppm1 6.703 ppm2 9.081 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "62 " and name "HG2 ") ) 6.000 6.000 0.000 peak 5586 weight 0.10000E+01 volume 0.20500E+00 ppm1 6.703 ppm2 0.442 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 3.300 3.300 0.000 peak 5648 weight 0.10000E+01 volume 0.19390E+01 ppm1 6.703 ppm2 0.720 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") ) 3.300 3.300 0.000 peak 5649 weight 0.10000E+01 volume 0.21290E+01 ppm1 6.704 ppm2 0.829 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "62 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5651 weight 0.10000E+01 volume 0.12000E+00 ppm1 6.704 ppm2 1.519 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "65 " and name "HB1 ") OR (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") ) 5.000 5.000 0.000 peak 5652 weight 0.10000E+01 volume 0.77500E+00 ppm1 6.703 ppm2 1.705 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "65 " and name "HG ") OR (segid " " and resid "62 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5653 weight 0.10000E+01 volume 0.40900E+00 ppm1 6.703 ppm2 1.869 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "62 " and name "HG1 ") OR (segid " " and resid "28 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7244 weight 0.10000E+01 volume 0.34000E+00 ppm1 6.704 ppm2 2.023 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "65 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5654 weight 0.10000E+01 volume 0.74200E+00 ppm1 6.703 ppm2 2.125 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 5657 weight 0.10000E+01 volume 0.49800E+00 ppm1 6.704 ppm2 3.365 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "65 " and name "HA ") OR (segid " " and resid "63 " and name "HA ") OR (segid " " and resid "61 " and name "HA ") ) 6.000 6.000 0.000 peak 5658 weight 0.10000E+01 volume 0.12200E+00 ppm1 6.702 ppm2 4.050 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "29 " and name "HA ") OR (segid " " and resid "28 " and name "HA ") ) 5.000 5.000 0.000 peak 5659 weight 0.10000E+01 volume 0.57600E+00 ppm1 6.703 ppm2 4.489 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "41 " and name "HA ") OR (segid " " and resid "26 " and name "HA ") ) 6.000 6.000 0.000 peak 5660 weight 0.10000E+01 volume 0.18700E+00 ppm1 6.703 ppm2 4.992 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "27 " and name "HN ") ) 5.000 5.000 0.000 peak 5664 weight 0.10000E+01 volume 0.44100E+00 ppm1 6.704 ppm2 7.859 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "65 " and name "HN ") OR (segid " " and resid "42 " and name "HN ") OR (segid " " and resid "26 " and name "HE1 ") ) 6.000 6.000 0.000 peak 5665 weight 0.10000E+01 volume 0.18800E+00 ppm1 6.703 ppm2 8.531 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "28 " and name "HN ") ) 5.000 5.000 0.000 peak 5666 weight 0.10000E+01 volume 0.35700E+00 ppm1 6.702 ppm2 8.702 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "66 " and name "HN ") ) 6.000 6.000 0.000 peak 5667 weight 0.10000E+01 volume 0.14900E+00 ppm1 6.703 ppm2 8.902 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "42 " and name "HG2 ") ) 5.000 5.000 0.000 peak 2627 weight 0.10000E+01 volume 0.61600E+00 ppm1 0.697 ppm2 2.096 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "42 " and name "HG1 ") ) 5.000 5.000 0.000 peak 2628 weight 0.10000E+01 volume 0.86100E+00 ppm1 0.700 ppm2 2.729 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "26 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2630 weight 0.10000E+01 volume 0.37300E+00 ppm1 0.700 ppm2 3.159 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "26 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2629 weight 0.10000E+01 volume 0.38800E+00 ppm1 0.700 ppm2 3.345 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "44 " and name "HA ") ) 3.300 3.300 0.000 peak 2631 weight 0.10000E+01 volume 0.20250E+01 ppm1 0.700 ppm2 3.784 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "46 " and name "HA ") ) 6.000 6.000 0.000 peak 2633 weight 0.10000E+01 volume 0.29000E+00 ppm1 0.698 ppm2 4.405 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 2635 weight 0.10000E+01 volume 0.12500E+00 ppm1 0.697 ppm2 5.449 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "42 " and name "HA ") ) 6.000 6.000 0.000 peak 2636 weight 0.10000E+01 volume 0.10300E+00 ppm1 0.698 ppm2 5.626 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "46 " and name "HD2 ") OR (segid " " and resid "44 " and name "HE ") ) 6.000 6.000 0.000 peak 2637 weight 0.10000E+01 volume 0.19200E+00 ppm1 0.699 ppm2 7.180 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "26 " and name "HD2 ") ) 5.000 5.000 0.000 peak 2638 weight 0.10000E+01 volume 0.40700E+00 ppm1 0.699 ppm2 7.307 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "26 " and name "HN ") ) 5.000 5.000 0.000 peak 2640 weight 0.10000E+01 volume 0.41100E+00 ppm1 0.699 ppm2 7.675 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "46 " and name "HE1 ") ) 5.000 5.000 0.000 peak 2643 weight 0.10000E+01 volume 0.11580E+01 ppm1 0.699 ppm2 8.473 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "44 " and name "HN ") ) 6.000 6.000 0.000 peak 2641 weight 0.10000E+01 volume 0.23700E+00 ppm1 0.698 ppm2 8.640 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "25 " and name "HN ") ) 5.000 5.000 0.000 peak 2642 weight 0.10000E+01 volume 0.62400E+00 ppm1 0.700 ppm2 8.820 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 2644 weight 0.10000E+01 volume 0.12000E+00 ppm1 0.696 ppm2 8.947 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "45 " and name "HN ") ) 6.000 6.000 0.000 peak 2639 weight 0.10000E+01 volume 0.10600E+00 ppm1 0.695 ppm2 7.419 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "48 " and name "HB1 ") ) 3.300 3.300 0.000 peak 2883 weight 0.10000E+01 volume 0.16690E+01 ppm1 0.751 ppm2 1.023 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "48 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2054 weight 0.10000E+01 volume 0.12840E+01 ppm1 0.750 ppm2 1.572 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "50 " and name "HB1 ") OR (segid " " and resid "49 " and name "HB2 ") ) 6.000 6.000 0.000 peak 1861 weight 0.10000E+01 volume 0.12900E+00 ppm1 0.749 ppm2 2.558 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "30 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") ) 6.000 6.000 0.000 peak 1862 weight 0.10000E+01 volume 0.14600E+00 ppm1 0.750 ppm2 2.716 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "49 " and name "HB1 ") ) 6.000 6.000 0.000 peak 1863 weight 0.10000E+01 volume 0.98000E-01 ppm1 0.750 ppm2 3.107 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "11 " and name "HA ") OR (segid " " and resid "9 " and name "HA ") ) 6.000 6.000 0.000 peak 1865 weight 0.10000E+01 volume 0.11800E+00 ppm1 0.749 ppm2 4.476 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "49 " and name "HA ") ) 5.000 5.000 0.000 peak 1866 weight 0.10000E+01 volume 0.53900E+00 ppm1 0.748 ppm2 4.699 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "50 " and name "HA ") OR (segid " " and resid "12 " and name "HA ") ) 6.000 6.000 0.000 peak 1867 weight 0.10000E+01 volume 0.12300E+00 ppm1 0.749 ppm2 5.086 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "48 " and name "HA ") ) 6.000 6.000 0.000 peak 1868 weight 0.10000E+01 volume 0.17600E+00 ppm1 0.749 ppm2 5.469 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "10 " and name "HN ") ) 6.000 6.000 0.000 peak 1869 weight 0.10000E+01 volume 0.19100E+00 ppm1 0.749 ppm2 7.691 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "48 " and name "HN ") ) 6.000 6.000 0.000 peak 1870 weight 0.10000E+01 volume 0.16200E+00 ppm1 0.750 ppm2 7.851 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "11 " and name "HN ") ) 5.000 5.000 0.000 peak 1871 weight 0.10000E+01 volume 0.64300E+00 ppm1 0.750 ppm2 8.197 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "49 " and name "HN ") ) 6.000 6.000 0.000 peak 1872 weight 0.10000E+01 volume 0.20500E+00 ppm1 0.750 ppm2 8.971 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "50 " and name "HN ") ) 6.000 6.000 0.000 peak 1873 weight 0.10000E+01 volume 0.27600E+00 ppm1 0.749 ppm2 9.215 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 6.000 6.000 0.000 peak 6666 weight 0.10000E+01 volume 0.73000E-01 ppm1 0.750 ppm2 7.131 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 5837 weight 0.10000E+01 volume 0.84000E-01 ppm1 1.750 ppm2 -0.843 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 3.300 3.300 0.000 peak 5816 weight 0.10000E+01 volume 0.15770E+01 ppm1 1.748 ppm2 0.224 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") OR (segid " " and resid "39 " and name "HG21") ) 3.300 3.300 0.000 peak 5818 weight 0.10000E+01 volume 0.27190E+01 ppm1 1.752 ppm2 0.672 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "39 " and name "HG11") ) 5.000 5.000 0.000 peak 5819 weight 0.10000E+01 volume 0.11520E+01 ppm1 1.752 ppm2 1.261 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "59 " and name "HA ") ) 3.300 3.300 0.000 peak 5825 weight 0.10000E+01 volume 0.27610E+01 ppm1 1.753 ppm2 3.795 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "53 " and name "HA ") ) 5.000 5.000 0.000 peak 5824 weight 0.10000E+01 volume 0.71200E+00 ppm1 1.750 ppm2 3.915 ASSI ( (segid " " and resid "72 " and name "HB1 ") OR (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "68 " and name "HA ") OR (segid " " and resid "63 " and name "HA ") OR (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5826 weight 0.10000E+01 volume 0.24500E+00 ppm1 1.747 ppm2 4.050 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "39 " and name "HA ") OR (segid " " and resid "29 " and name "HA ") OR (segid " " and resid "28 " and name "HA ") ) 6.000 6.000 0.000 peak 5827 weight 0.10000E+01 volume 0.20700E+00 ppm1 1.750 ppm2 4.495 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "29 " and name "HE22") OR (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 5.000 5.000 0.000 peak 5828 weight 0.10000E+01 volume 0.64600E+00 ppm1 1.750 ppm2 6.710 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "59 " and name "HN ") ) 6.000 6.000 0.000 peak 5830 weight 0.10000E+01 volume 0.24800E+00 ppm1 1.750 ppm2 7.297 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "29 " and name "HE21") ) 6.000 6.000 0.000 peak 3093 weight 0.10000E+01 volume 0.13700E+00 ppm1 1.750 ppm2 7.608 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "63 " and name "HN ") ) 5.000 5.000 0.000 peak 3106 weight 0.10000E+01 volume 0.40000E+00 ppm1 1.748 ppm2 7.715 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "62 " and name "HN ") ) 5.000 5.000 0.000 peak 5834 weight 0.10000E+01 volume 0.54100E+00 ppm1 1.747 ppm2 8.248 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "60 " and name "HN ") OR (segid " " and resid "28 " and name "HN ") ) 6.000 6.000 0.000 peak 5835 weight 0.10000E+01 volume 0.11000E+00 ppm1 1.749 ppm2 8.689 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "64 " and name "HN ") OR (segid " " and resid "61 " and name "HN ") ) 6.000 6.000 0.000 peak 5833 weight 0.10000E+01 volume 0.82000E-01 ppm1 1.746 ppm2 8.096 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "50 " and name "HA ") OR (segid " " and resid "12 " and name "HA ") ) 6.000 6.000 0.000 peak 1846 weight 0.10000E+01 volume 0.97000E-01 ppm1 0.715 ppm2 5.075 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "30 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") ) 5.000 5.000 0.000 peak 1839 weight 0.10000E+01 volume 0.47000E+00 ppm1 0.714 ppm2 2.709 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "30 " and name "HA ") ) 6.000 6.000 0.000 peak 1844 weight 0.10000E+01 volume 0.17400E+00 ppm1 0.716 ppm2 4.733 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "40 " and name "HA ") ) 6.000 6.000 0.000 peak 1845 weight 0.10000E+01 volume 0.12100E+00 ppm1 0.715 ppm2 4.915 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "10 " and name "HN ") ) 5.000 5.000 0.000 peak 1849 weight 0.10000E+01 volume 0.14810E+01 ppm1 0.716 ppm2 7.692 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") OR (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "48 " and name "HN ") OR (segid " " and resid "38 " and name "HN ") OR (segid " " and resid "17 " and name "HN ") ) 6.000 6.000 0.000 peak 1850 weight 0.10000E+01 volume 0.86000E-01 ppm1 0.713 ppm2 7.830 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "12 " and name "HN ") OR (segid " " and resid "11 " and name "HN ") ) 5.000 5.000 0.000 peak 1851 weight 0.10000E+01 volume 0.57200E+00 ppm1 0.714 ppm2 8.198 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "9 " and name "HN ") ) 6.000 6.000 0.000 peak 1852 weight 0.10000E+01 volume 0.11800E+00 ppm1 0.713 ppm2 9.149 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") OR (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") OR (segid " " and resid "10 " and name "HG12") ) 2.700 2.700 0.000 peak 6656 weight 0.10000E+01 volume 0.76700E+01 ppm1 0.713 ppm2 0.836 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "30 " and name "HD22") ) 6.000 6.000 0.000 peak 1847 weight 0.10000E+01 volume 0.10900E+00 ppm1 0.715 ppm2 6.802 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "11 " and name "HA ") ) 5.000 5.000 0.000 peak 1843 weight 0.10000E+01 volume 0.34100E+00 ppm1 0.715 ppm2 4.480 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") OR (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "48 " and name "HB1 ") OR (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 2353 weight 0.10000E+01 volume 0.12730E+01 ppm1 0.742 ppm2 0.994 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "19 " and name "HB ") ) 2.700 2.700 0.000 peak 1879 weight 0.10000E+01 volume 0.37210E+01 ppm1 0.745 ppm2 1.357 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "20 " and name "HG2 ") OR (segid " " and resid "20 " and name "HB2 ") ) 3.300 3.300 0.000 peak 2317 weight 0.10000E+01 volume 0.17300E+01 ppm1 0.737 ppm2 1.804 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "24 " and name "HG ") ) 5.000 5.000 0.000 peak 2281 weight 0.10000E+01 volume 0.69300E+00 ppm1 0.737 ppm2 1.914 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") OR (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "40 " and name "HB ") OR (segid " " and resid "20 " and name "HG1 ") ) 5.000 5.000 0.000 peak 2314 weight 0.10000E+01 volume 0.87900E+00 ppm1 0.739 ppm2 1.978 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "20 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2235 weight 0.10000E+01 volume 0.11730E+01 ppm1 0.745 ppm2 3.607 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") OR (segid " " and resid "10 " and name "HG23") )( (segid " " and resid "50 " and name "HB2 ") OR (segid " " and resid "21 " and name "HA ") ) 6.000 6.000 0.000 peak 8501 weight 0.10000E+01 volume 0.26200E+00 ppm1 0.741 ppm2 3.680 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 2238 weight 0.10000E+01 volume 0.97000E-01 ppm1 0.742 ppm2 4.862 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 2239 weight 0.10000E+01 volume 0.34200E+00 ppm1 0.745 ppm2 5.307 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "57 " and name "HH2 ") ) 6.000 6.000 0.000 peak 2240 weight 0.10000E+01 volume 0.88000E-01 ppm1 0.745 ppm2 6.578 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2242 weight 0.10000E+01 volume 0.16200E+00 ppm1 0.742 ppm2 7.162 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 4095 weight 0.10000E+01 volume 0.42400E+00 ppm1 1.417 ppm2 0.227 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "62 " and name "HG2 ") ) 6.000 6.000 0.000 peak 4096 weight 0.10000E+01 volume 0.21100E+00 ppm1 1.420 ppm2 0.428 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 3.300 3.300 0.000 peak 2404 weight 0.10000E+01 volume 0.17560E+01 ppm1 1.423 ppm2 0.719 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD11") OR (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 3.300 3.300 0.000 peak 2403 weight 0.10000E+01 volume 0.25270E+01 ppm1 1.423 ppm2 0.810 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 3.300 3.300 0.000 peak 2374 weight 0.10000E+01 volume 0.23930E+01 ppm1 1.423 ppm2 0.994 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "24 " and name "HG ") OR (segid " " and resid "21 " and name "HB ") ) 5.000 5.000 0.000 peak 3175 weight 0.10000E+01 volume 0.66100E+00 ppm1 1.421 ppm2 1.938 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "58 " and name "HA ") ) 3.300 3.300 0.000 peak 4103 weight 0.10000E+01 volume 0.18560E+01 ppm1 1.420 ppm2 2.571 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "64 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8169 weight 0.10000E+01 volume 0.20900E+00 ppm1 1.416 ppm2 3.285 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "61 " and name "HN ") ) 2.700 2.700 0.000 peak 4117 weight 0.10000E+01 volume 0.30940E+01 ppm1 1.425 ppm2 8.072 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "62 " and name "HN ") ) 5.000 5.000 0.000 peak 4118 weight 0.10000E+01 volume 0.11420E+01 ppm1 1.416 ppm2 8.253 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "65 " and name "HN ") ) 6.000 6.000 0.000 peak 4121 weight 0.10000E+01 volume 0.12100E+00 ppm1 1.418 ppm2 8.531 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 4114 weight 0.10000E+01 volume 0.10400E+00 ppm1 1.417 ppm2 6.173 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "57 " and name "HZ3 ") ) 5.000 5.000 0.000 peak 4115 weight 0.10000E+01 volume 0.42500E+00 ppm1 1.419 ppm2 6.676 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "64 " and name "HB1 ") OR (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 4108 weight 0.10000E+01 volume 0.66200E+00 ppm1 1.419 ppm2 3.356 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 4094 weight 0.10000E+01 volume 0.27900E+00 ppm1 1.416 ppm2 -0.838 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4104 weight 0.10000E+01 volume 0.52900E+00 ppm1 1.420 ppm2 2.700 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "63 " and name "HN ") OR (segid " " and resid "24 " and name "HN ") ) 6.000 6.000 0.000 peak 4119 weight 0.10000E+01 volume 0.24400E+00 ppm1 1.419 ppm2 7.703 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "60 " and name "HN ") ) 6.000 6.000 0.000 peak 4120 weight 0.10000E+01 volume 0.23600E+00 ppm1 1.418 ppm2 8.690 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "21 " and name "HA ") ) 6.000 6.000 0.000 peak 4109 weight 0.10000E+01 volume 0.24300E+00 ppm1 1.417 ppm2 3.683 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2609 weight 0.10000E+01 volume 0.45500E+00 ppm1 0.721 ppm2 3.180 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "44 " and name "HA ") ) 3.300 3.300 0.000 peak 2610 weight 0.10000E+01 volume 0.23460E+01 ppm1 0.724 ppm2 3.784 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 2613 weight 0.10000E+01 volume 0.22700E+00 ppm1 0.723 ppm2 5.448 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "26 " and name "HN ") OR (segid " " and resid "24 " and name "HN ") ) 5.000 5.000 0.000 peak 2614 weight 0.10000E+01 volume 0.49800E+00 ppm1 0.726 ppm2 7.670 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "44 " and name "HN ") ) 5.000 5.000 0.000 peak 2615 weight 0.10000E+01 volume 0.97300E+00 ppm1 0.724 ppm2 8.663 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "25 " and name "HN ") ) 5.000 5.000 0.000 peak 2616 weight 0.10000E+01 volume 0.90600E+00 ppm1 0.724 ppm2 8.816 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2626 weight 0.10000E+01 volume 0.22170E+01 ppm1 0.725 ppm2 1.578 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG21") OR (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "62 " and name "HA ") OR (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3057 weight 0.10000E+01 volume 0.28300E+00 ppm1 0.716 ppm2 3.358 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "53 " and name "HA ") ) 6.000 6.000 0.000 peak 3058 weight 0.10000E+01 volume 0.25600E+00 ppm1 0.714 ppm2 3.914 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "62 " and name "HG2 ") ) 5.000 5.000 0.000 peak 2623 weight 0.10000E+01 volume 0.55900E+00 ppm1 0.716 ppm2 0.434 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "39 " and name "HB ") ) 2.700 2.700 0.000 peak 2665 weight 0.10000E+01 volume 0.33610E+01 ppm1 0.710 ppm2 1.664 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 3047 weight 0.10000E+01 volume 0.84000E-01 ppm1 0.712 ppm2 -0.827 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 3046 weight 0.10000E+01 volume 0.10260E+01 ppm1 0.714 ppm2 0.218 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "27 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3054 weight 0.10000E+01 volume 0.10470E+01 ppm1 0.714 ppm2 2.565 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "27 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3056 weight 0.10000E+01 volume 0.13590E+01 ppm1 0.714 ppm2 2.829 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3059 weight 0.10000E+01 volume 0.17300E+00 ppm1 0.715 ppm2 4.051 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "41 " and name "HA ") ) 5.000 5.000 0.000 peak 3061 weight 0.10000E+01 volume 0.35200E+00 ppm1 0.715 ppm2 4.973 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "27 " and name "HA ") ) 5.000 5.000 0.000 peak 3062 weight 0.10000E+01 volume 0.44000E+00 ppm1 0.714 ppm2 5.909 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 3.300 3.300 0.000 peak 3065 weight 0.10000E+01 volume 0.15640E+01 ppm1 0.711 ppm2 6.713 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 5.000 5.000 0.000 peak 3064 weight 0.10000E+01 volume 0.39500E+00 ppm1 0.712 ppm2 6.818 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "39 " and name "HN ") ) 5.000 5.000 0.000 peak 3069 weight 0.10000E+01 volume 0.57200E+00 ppm1 0.713 ppm2 9.046 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "40 " and name "HN ") ) 5.000 5.000 0.000 peak 3070 weight 0.10000E+01 volume 0.11450E+01 ppm1 0.713 ppm2 9.346 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "51 " and name "HN ") ) 6.000 6.000 0.000 peak 3071 weight 0.10000E+01 volume 0.12000E+00 ppm1 0.712 ppm2 9.813 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "62 " and name "HG1 ") OR (segid " " and resid "53 " and name "HB1 ") OR (segid " " and resid "29 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2645 weight 0.10000E+01 volume 0.10300E+01 ppm1 0.719 ppm2 2.027 ASSI ( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") )( (segid " " and resid "33 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3658 weight 0.10000E+01 volume 0.33800E+00 ppm1 1.413 ppm2 3.961 ASSI ( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") )( (segid " " and resid "34 " and name "HN ") ) 6.000 6.000 0.000 peak 2861 weight 0.10000E+01 volume 0.17400E+00 ppm1 1.414 ppm2 7.624 ASSI ( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") )( (segid " " and resid "33 " and name "HN ") ) 5.000 5.000 0.000 peak 2863 weight 0.10000E+01 volume 0.80600E+00 ppm1 1.416 ppm2 8.054 ASSI ( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") )( (segid " " and resid "32 " and name "HN ") ) 3.300 3.300 0.000 peak 2862 weight 0.10000E+01 volume 0.24830E+01 ppm1 1.413 ppm2 8.755 ASSI ( (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "69 " and name "HB2 ") OR (segid " " and resid "69 " and name "HB1 ") )( (segid " " and resid "68 " and name "HA ") OR (segid " " and resid "67 " and name "HA ") ) 5.000 5.000 0.000 peak 3243 weight 0.10000E+01 volume 0.38600E+00 ppm1 1.509 ppm2 4.082 ASSI ( (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "69 " and name "HB2 ") OR (segid " " and resid "69 " and name "HB1 ") )( (segid " " and resid "66 " and name "HA ") ) 5.000 5.000 0.000 peak 4395 weight 0.10000E+01 volume 0.11370E+01 ppm1 1.507 ppm2 4.535 ASSI ( (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "69 " and name "HB2 ") OR (segid " " and resid "69 " and name "HB1 ") )( (segid " " and resid "70 " and name "HN ") ) 3.300 3.300 0.000 peak 4397 weight 0.10000E+01 volume 0.15800E+01 ppm1 1.507 ppm2 7.842 ASSI ( (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "69 " and name "HB2 ") OR (segid " " and resid "69 " and name "HB1 ") )( (segid " " and resid "69 " and name "HN ") ) 2.700 2.700 0.000 peak 4396 weight 0.10000E+01 volume 0.50180E+01 ppm1 1.510 ppm2 7.933 ASSI ( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "20 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2424 weight 0.10000E+01 volume 0.35400E+00 ppm1 1.332 ppm2 2.287 ASSI ( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "21 " and name "HA ") ) 6.000 6.000 0.000 peak 2423 weight 0.10000E+01 volume 0.12900E+00 ppm1 1.337 ppm2 3.684 ASSI ( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2426 weight 0.10000E+01 volume 0.13100E+01 ppm1 1.335 ppm2 7.721 ASSI ( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "21 " and name "HN ") ) 6.000 6.000 0.000 peak 2427 weight 0.10000E+01 volume 0.27100E+00 ppm1 1.337 ppm2 8.038 ASSI ( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "23 " and name "HN ") ) 2.700 2.700 0.000 peak 2428 weight 0.10000E+01 volume 0.39950E+01 ppm1 1.341 ppm2 8.432 ASSI ( (segid " " and resid "71 " and name "HB3 ") OR (segid " " and resid "71 " and name "HB2 ") OR (segid " " and resid "71 " and name "HB1 ") OR (segid " " and resid "70 " and name "HB3 ") OR (segid " " and resid "70 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") )( (segid " " and resid "74 " and name "HA ") OR (segid " " and resid "72 " and name "HA ") OR (segid " " and resid "33 " and name "HA ") ) 5.000 5.000 0.000 peak 3669 weight 0.10000E+01 volume 0.78300E+00 ppm1 1.416 ppm2 4.360 ASSI ( (segid " " and resid "71 " and name "HB3 ") OR (segid " " and resid "71 " and name "HB2 ") OR (segid " " and resid "71 " and name "HB1 ") OR (segid " " and resid "70 " and name "HB3 ") OR (segid " " and resid "70 " and name "HB2 ") OR (segid " " and resid "70 " and name "HB1 ") )( (segid " " and resid "71 " and name "HN ") OR (segid " " and resid "70 " and name "HN ") ) 2.700 2.700 0.000 peak 4401 weight 0.10000E+01 volume 0.78820E+01 ppm1 1.431 ppm2 7.842 ASSI ( (segid " " and resid "70 " and name "HB3 ") OR (segid " " and resid "70 " and name "HB2 ") OR (segid " " and resid "70 " and name "HB1 ") OR (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") )( (segid " " and resid "74 " and name "HD2 ") OR (segid " " and resid "74 " and name "HD1 ") OR (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") OR (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3245 weight 0.10000E+01 volume 0.27700E+00 ppm1 1.416 ppm2 3.169 ASSI ( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") )( (segid " " and resid "32 " and name "HA ") ) 2.700 2.700 0.000 peak 1836 weight 0.10000E+01 volume 0.62390E+01 ppm1 1.421 ppm2 4.115 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "49 " and name "HB1 ") OR (segid " " and resid "26 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3160 weight 0.10000E+01 volume 0.91000E-01 ppm1 0.827 ppm2 3.103 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "48 " and name "HG ") OR (segid " " and resid "48 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2444 weight 0.10000E+01 volume 0.12250E+01 ppm1 0.828 ppm2 1.572 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "30 " and name "HB1 ") OR (segid " " and resid "27 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3159 weight 0.10000E+01 volume 0.17700E+00 ppm1 0.829 ppm2 2.830 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "39 " and name "HA ") OR (segid " " and resid "29 " and name "HA ") OR (segid " " and resid "28 " and name "HA ") ) 6.000 6.000 0.000 peak 3161 weight 0.10000E+01 volume 0.20400E+00 ppm1 0.829 ppm2 4.481 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "48 " and name "HA ") ) 5.000 5.000 0.000 peak 3165 weight 0.10000E+01 volume 0.57700E+00 ppm1 0.828 ppm2 5.464 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "28 " and name "HE21") ) 6.000 6.000 0.000 peak 3170 weight 0.10000E+01 volume 0.12900E+00 ppm1 0.828 ppm2 7.582 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "48 " and name "HN ") OR (segid " " and resid "27 " and name "HN ") ) 6.000 6.000 0.000 peak 3169 weight 0.10000E+01 volume 0.13400E+00 ppm1 0.831 ppm2 7.845 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 3173 weight 0.10000E+01 volume 0.12300E+00 ppm1 0.829 ppm2 8.549 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "28 " and name "HN ") ) 5.000 5.000 0.000 peak 3172 weight 0.10000E+01 volume 0.30500E+00 ppm1 0.829 ppm2 8.700 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "49 " and name "HN ") ) 5.000 5.000 0.000 peak 3171 weight 0.10000E+01 volume 0.67000E+00 ppm1 0.830 ppm2 8.976 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "41 " and name "HN ") ) 5.000 5.000 0.000 peak 3174 weight 0.10000E+01 volume 0.11340E+01 ppm1 0.829 ppm2 9.402 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "42 " and name "HA ") ) 6.000 6.000 0.000 peak 3166 weight 0.10000E+01 volume 0.16900E+00 ppm1 0.826 ppm2 5.636 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "28 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3155 weight 0.10000E+01 volume 0.36000E+00 ppm1 0.828 ppm2 2.296 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "27 " and name "HA ") ) 6.000 6.000 0.000 peak 3167 weight 0.10000E+01 volume 0.13500E+00 ppm1 0.830 ppm2 5.911 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "42 " and name "HG1 ") OR (segid " " and resid "30 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3157 weight 0.10000E+01 volume 0.20200E+00 ppm1 0.827 ppm2 2.707 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "28 " and name "HG2 ") ) 5.000 5.000 0.000 peak 3153 weight 0.10000E+01 volume 0.59100E+00 ppm1 0.827 ppm2 2.142 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "28 " and name "HE22") ) 6.000 6.000 0.000 peak 3168 weight 0.10000E+01 volume 0.11400E+00 ppm1 0.830 ppm2 6.852 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "50 " and name "HB1 ") OR (segid " " and resid "49 " and name "HB2 ") OR (segid " " and resid "27 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3158 weight 0.10000E+01 volume 0.20200E+00 ppm1 0.826 ppm2 2.573 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "50 " and name "HA ") ) 5.000 5.000 0.000 peak 3164 weight 0.10000E+01 volume 0.30400E+00 ppm1 0.826 ppm2 5.122 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") OR (segid " " and resid "36 " and name "HB2 ") ) 2.700 2.700 0.000 peak 3714 weight 0.10000E+01 volume 0.49880E+01 ppm1 1.922 ppm2 1.370 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "52 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5799 weight 0.10000E+01 volume 0.11700E+01 ppm1 1.918 ppm2 2.445 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "12 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5797 weight 0.10000E+01 volume 0.10660E+01 ppm1 1.918 ppm2 2.653 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "52 " and name "HB1 ") OR (segid " " and resid "12 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5795 weight 0.10000E+01 volume 0.14190E+01 ppm1 1.917 ppm2 3.040 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "50 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5793 weight 0.10000E+01 volume 0.60300E+00 ppm1 1.917 ppm2 3.721 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") OR (segid " " and resid "36 " and name "HA ") ) 5.000 5.000 0.000 peak 5792 weight 0.10000E+01 volume 0.79600E+00 ppm1 1.917 ppm2 4.051 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "16 " and name "HB ") OR (segid " " and resid "13 " and name "HA ") ) 6.000 6.000 0.000 peak 5790 weight 0.10000E+01 volume 0.22600E+00 ppm1 1.918 ppm2 4.342 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "14 " and name "HA ") ) 5.000 5.000 0.000 peak 5789 weight 0.10000E+01 volume 0.33500E+00 ppm1 1.920 ppm2 4.474 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "38 " and name "HA ") ) 5.000 5.000 0.000 peak 5788 weight 0.10000E+01 volume 0.49400E+00 ppm1 1.918 ppm2 4.648 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "50 " and name "HA ") OR (segid " " and resid "12 " and name "HA ") ) 5.000 5.000 0.000 peak 5787 weight 0.10000E+01 volume 0.34800E+00 ppm1 1.916 ppm2 5.095 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "38 " and name "HN ") ) 6.000 6.000 0.000 peak 5784 weight 0.10000E+01 volume 0.13300E+00 ppm1 1.917 ppm2 7.807 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "54 " and name "HN ") OR (segid " " and resid "12 " and name "HN ") ) 6.000 6.000 0.000 peak 5782 weight 0.10000E+01 volume 0.10400E+00 ppm1 1.918 ppm2 8.187 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "37 " and name "HN ") ) 6.000 6.000 0.000 peak 5781 weight 0.10000E+01 volume 0.12200E+00 ppm1 1.917 ppm2 8.294 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "52 " and name "HN ") ) 6.000 6.000 0.000 peak 5780 weight 0.10000E+01 volume 0.23700E+00 ppm1 1.918 ppm2 8.673 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "15 " and name "HN ") ) 5.000 5.000 0.000 peak 5779 weight 0.10000E+01 volume 0.41600E+00 ppm1 1.917 ppm2 8.811 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "36 " and name "HN ") ) 6.000 6.000 0.000 peak 5783 weight 0.10000E+01 volume 0.28100E+00 ppm1 1.915 ppm2 8.042 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "57 " and name "HZ2 ") OR (segid " " and resid "30 " and name "HD21") ) 6.000 6.000 0.000 peak 5785 weight 0.10000E+01 volume 0.10700E+00 ppm1 1.916 ppm2 7.299 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "39 " and name "HN ") OR (segid " " and resid "16 " and name "HN ") ) 5.000 5.000 0.000 peak 5778 weight 0.10000E+01 volume 0.36600E+00 ppm1 1.918 ppm2 9.051 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "50 " and name "HN ") ) 6.000 6.000 0.000 peak 5777 weight 0.10000E+01 volume 0.77000E-01 ppm1 1.916 ppm2 9.217 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "51 " and name "HN ") ) 6.000 6.000 0.000 peak 5776 weight 0.10000E+01 volume 0.14200E+00 ppm1 1.916 ppm2 9.806 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 2043 weight 0.10000E+01 volume 0.21600E+00 ppm1 1.397 ppm2 -0.838 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 3.300 3.300 0.000 peak 2044 weight 0.10000E+01 volume 0.18080E+01 ppm1 1.397 ppm2 0.253 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") OR (segid " " and resid "18 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2543 weight 0.10000E+01 volume 0.72200E+00 ppm1 1.397 ppm2 0.743 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 2453 weight 0.10000E+01 volume 0.13840E+01 ppm1 1.397 ppm2 0.846 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "57 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2074 weight 0.10000E+01 volume 0.14600E+00 ppm1 1.396 ppm2 10.311 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "49 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2049 weight 0.10000E+01 volume 0.99600E+00 ppm1 1.394 ppm2 2.566 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "49 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2050 weight 0.10000E+01 volume 0.11900E+01 ppm1 1.394 ppm2 3.109 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2057 weight 0.10000E+01 volume 0.11400E+00 ppm1 1.396 ppm2 3.810 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "49 " and name "HA ") ) 5.000 5.000 0.000 peak 2060 weight 0.10000E+01 volume 0.32300E+00 ppm1 1.396 ppm2 4.716 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "51 " and name "HA ") ) 5.000 5.000 0.000 peak 2061 weight 0.10000E+01 volume 0.10880E+01 ppm1 1.395 ppm2 4.842 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "19 " and name "HN ") ) 6.000 6.000 0.000 peak 2062 weight 0.10000E+01 volume 0.20100E+00 ppm1 1.397 ppm2 5.302 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "57 " and name "HH2 ") ) 3.300 3.300 0.000 peak 2063 weight 0.10000E+01 volume 0.20230E+01 ppm1 1.396 ppm2 6.575 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "57 " and name "HZ3 ") ) 5.000 5.000 0.000 peak 2064 weight 0.10000E+01 volume 0.40200E+00 ppm1 1.396 ppm2 6.684 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2065 weight 0.10000E+01 volume 0.63100E+00 ppm1 1.396 ppm2 7.140 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "57 " and name "HZ2 ") ) 3.300 3.300 0.000 peak 2066 weight 0.10000E+01 volume 0.18510E+01 ppm1 1.396 ppm2 7.326 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "18 " and name "HN ") ) 6.000 6.000 0.000 peak 2067 weight 0.10000E+01 volume 0.15500E+00 ppm1 1.395 ppm2 7.488 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "17 " and name "HN ") ) 5.000 5.000 0.000 peak 2068 weight 0.10000E+01 volume 0.33700E+00 ppm1 1.395 ppm2 7.781 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "52 " and name "HN ") ) 6.000 6.000 0.000 peak 2069 weight 0.10000E+01 volume 0.16000E+00 ppm1 1.396 ppm2 8.668 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "16 " and name "HN ") ) 3.300 3.300 0.000 peak 2071 weight 0.10000E+01 volume 0.19680E+01 ppm1 1.399 ppm2 9.064 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "50 " and name "HN ") ) 6.000 6.000 0.000 peak 2072 weight 0.10000E+01 volume 0.26400E+00 ppm1 1.395 ppm2 9.213 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "51 " and name "HN ") ) 6.000 6.000 0.000 peak 2073 weight 0.10000E+01 volume 0.13000E+00 ppm1 1.396 ppm2 9.807 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "49 " and name "HN ") ) 6.000 6.000 0.000 peak 2070 weight 0.10000E+01 volume 0.14500E+00 ppm1 1.395 ppm2 8.954 ASSI ( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG22") OR (segid " " and resid "5 " and name "HG21") )( (segid " " and resid "4 " and name "HA1 ") ) 6.000 6.000 0.000 peak 1721 weight 0.10000E+01 volume 0.83000E-01 ppm1 0.878 ppm2 4.000 ASSI ( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG22") OR (segid " " and resid "5 " and name "HG21") )( (segid " " and resid "5 " and name "HN ") ) 5.000 5.000 0.000 peak 1727 weight 0.10000E+01 volume 0.68200E+00 ppm1 0.880 ppm2 8.147 ASSI ( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG22") OR (segid " " and resid "5 " and name "HG21") )( (segid " " and resid "6 " and name "HN ") ) 6.000 6.000 0.000 peak 1726 weight 0.10000E+01 volume 0.15500E+00 ppm1 0.880 ppm2 8.332 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "20 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2402 weight 0.10000E+01 volume 0.12500E+00 ppm1 0.713 ppm2 2.299 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3967 weight 0.10000E+01 volume 0.71500E+00 ppm1 0.715 ppm2 1.343 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3668 weight 0.10000E+01 volume 0.80300E+00 ppm1 0.717 ppm2 1.431 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2406 weight 0.10000E+01 volume 0.10500E+00 ppm1 0.714 ppm2 2.710 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "64 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7036 weight 0.10000E+01 volume 0.50600E+00 ppm1 0.715 ppm2 3.290 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "64 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2407 weight 0.10000E+01 volume 0.60500E+00 ppm1 0.715 ppm2 3.359 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "61 " and name "HA ") ) 5.000 5.000 0.000 peak 2409 weight 0.10000E+01 volume 0.81200E+00 ppm1 0.716 ppm2 4.005 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "23 " and name "HA ") OR (segid " " and resid "20 " and name "HA ") ) 5.000 5.000 0.000 peak 2410 weight 0.10000E+01 volume 0.73600E+00 ppm1 0.714 ppm2 4.164 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "64 " and name "HD2 ") ) 6.000 6.000 0.000 peak 2411 weight 0.10000E+01 volume 0.27900E+00 ppm1 0.715 ppm2 6.979 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "24 " and name "HN ") OR (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2412 weight 0.10000E+01 volume 0.20300E+00 ppm1 0.714 ppm2 7.722 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "21 " and name "HN ") ) 5.000 5.000 0.000 peak 2413 weight 0.10000E+01 volume 0.12330E+01 ppm1 0.716 ppm2 8.042 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2415 weight 0.10000E+01 volume 0.11380E+01 ppm1 0.716 ppm2 8.431 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "65 " and name "HN ") ) 6.000 6.000 0.000 peak 2416 weight 0.10000E+01 volume 0.11500E+00 ppm1 0.714 ppm2 8.537 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "12 " and name "HB1 ") OR (segid " " and resid "8 " and name "HB2 ") ) 6.000 6.000 0.000 peak 1891 weight 0.10000E+01 volume 0.26600E+00 ppm1 1.008 ppm2 2.632 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "35 " and name "HA1 ") ) 5.000 5.000 0.000 peak 1896 weight 0.10000E+01 volume 0.77100E+00 ppm1 1.006 ppm2 4.279 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "36 " and name "HN ") ) 6.000 6.000 0.000 peak 1900 weight 0.10000E+01 volume 0.19900E+00 ppm1 1.008 ppm2 8.038 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8455 weight 0.10000E+01 volume 0.37000E+00 ppm1 1.008 ppm2 3.812 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "34 " and name "HB2 ") OR (segid " " and resid "12 " and name "HB2 ") ) 6.000 6.000 0.000 peak 1893 weight 0.10000E+01 volume 0.29200E+00 ppm1 1.007 ppm2 3.018 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "35 " and name "HA2 ") ) 5.000 5.000 0.000 peak 1894 weight 0.10000E+01 volume 0.48600E+00 ppm1 1.008 ppm2 3.659 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "35 " and name "HN ") ) 5.000 5.000 0.000 peak 1902 weight 0.10000E+01 volume 0.32400E+00 ppm1 1.007 ppm2 8.329 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "12 " and name "HA ") ) 5.000 5.000 0.000 peak 1899 weight 0.10000E+01 volume 0.56000E+00 ppm1 1.005 ppm2 5.042 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "11 " and name "HN ") ) 5.000 5.000 0.000 peak 1901 weight 0.10000E+01 volume 0.12710E+01 ppm1 1.008 ppm2 8.197 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "34 " and name "HB2 ") OR (segid " " and resid "8 " and name "HB1 ") ) 6.000 6.000 0.000 peak 1892 weight 0.10000E+01 volume 0.27900E+00 ppm1 1.008 ppm2 2.943 ASSI ( (segid " " and resid "5 " and name "HG13") OR (segid " " and resid "5 " and name "HG12") OR (segid " " and resid "5 " and name "HG11") )( (segid " " and resid "6 " and name "HB ") OR (segid " " and resid "4 " and name "HA1 ") ) 6.000 6.000 0.000 peak 1719 weight 0.10000E+01 volume 0.12800E+00 ppm1 0.879 ppm2 4.005 ASSI ( (segid " " and resid "5 " and name "HG13") OR (segid " " and resid "5 " and name "HG12") OR (segid " " and resid "5 " and name "HG11") )( (segid " " and resid "5 " and name "HN ") ) 6.000 6.000 0.000 peak 1722 weight 0.10000E+01 volume 0.25400E+00 ppm1 0.879 ppm2 8.146 ASSI ( (segid " " and resid "5 " and name "HG13") OR (segid " " and resid "5 " and name "HG12") OR (segid " " and resid "5 " and name "HG11") )( (segid " " and resid "6 " and name "HN ") ) 5.000 5.000 0.000 peak 1723 weight 0.10000E+01 volume 0.32000E+00 ppm1 0.878 ppm2 8.335 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "61 " and name "HN ") ) 6.000 6.000 0.000 peak 3960 weight 0.10000E+01 volume 0.11100E+00 ppm1 0.212 ppm2 8.072 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "62 " and name "HG2 ") ) 5.000 5.000 0.000 peak 2607 weight 0.10000E+01 volume 0.70300E+00 ppm1 0.215 ppm2 0.456 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 3.300 3.300 0.000 peak 3942 weight 0.10000E+01 volume 0.21020E+01 ppm1 0.212 ppm2 0.717 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 2612 weight 0.10000E+01 volume 0.82400E+00 ppm1 0.216 ppm2 0.852 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3943 weight 0.10000E+01 volume 0.15520E+01 ppm1 0.213 ppm2 1.087 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "58 " and name "HB ") ) 2.700 2.700 0.000 peak 8062 weight 0.10000E+01 volume 0.42280E+01 ppm1 0.210 ppm2 1.753 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "62 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8071 weight 0.10000E+01 volume 0.81900E+00 ppm1 0.215 ppm2 2.022 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "62 " and name "HA ") ) 6.000 6.000 0.000 peak 3950 weight 0.10000E+01 volume 0.84000E-01 ppm1 0.214 ppm2 3.358 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "59 " and name "HA ") ) 6.000 6.000 0.000 peak 3951 weight 0.10000E+01 volume 0.22600E+00 ppm1 0.214 ppm2 3.787 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "53 " and name "HA ") ) 3.300 3.300 0.000 peak 3952 weight 0.10000E+01 volume 0.18540E+01 ppm1 0.212 ppm2 3.914 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3953 weight 0.10000E+01 volume 0.28300E+00 ppm1 0.214 ppm2 4.047 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "57 " and name "HA ") OR (segid " " and resid "39 " and name "HA ") ) 6.000 6.000 0.000 peak 3954 weight 0.10000E+01 volume 0.14700E+00 ppm1 0.214 ppm2 4.488 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "51 " and name "HA ") ) 6.000 6.000 0.000 peak 3955 weight 0.10000E+01 volume 0.98000E-01 ppm1 0.210 ppm2 4.821 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "58 " and name "HN ") ) 5.000 5.000 0.000 peak 3956 weight 0.10000E+01 volume 0.59000E+00 ppm1 0.216 ppm2 6.172 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "59 " and name "HN ") ) 5.000 5.000 0.000 peak 3958 weight 0.10000E+01 volume 0.57100E+00 ppm1 0.213 ppm2 7.299 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "55 " and name "HN ") ) 6.000 6.000 0.000 peak 3959 weight 0.10000E+01 volume 0.15200E+00 ppm1 0.213 ppm2 7.565 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "62 " and name "HN ") OR (segid " " and resid "54 " and name "HN ") ) 6.000 6.000 0.000 peak 3961 weight 0.10000E+01 volume 0.25800E+00 ppm1 0.211 ppm2 8.235 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "60 " and name "HN ") OR (segid " " and resid "52 " and name "HN ") ) 6.000 6.000 0.000 peak 3962 weight 0.10000E+01 volume 0.18400E+00 ppm1 0.213 ppm2 8.676 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "39 " and name "HN ") ) 6.000 6.000 0.000 peak 3963 weight 0.10000E+01 volume 0.15200E+00 ppm1 0.212 ppm2 9.031 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "57 " and name "HZ3 ") OR (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3957 weight 0.10000E+01 volume 0.10900E+00 ppm1 0.211 ppm2 6.691 ASSI ( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") )( (segid " " and resid "11 " and name "HB ") OR (segid " " and resid "4 " and name "HA2 ") ) 6.000 6.000 0.000 peak 1736 weight 0.10000E+01 volume 0.13400E+00 ppm1 1.104 ppm2 3.898 ASSI ( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") )( (segid " " and resid "11 " and name "HA ") OR (segid " " and resid "9 " and name "HA ") ) 6.000 6.000 0.000 peak 1739 weight 0.10000E+01 volume 0.13700E+00 ppm1 1.106 ppm2 4.441 ASSI ( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") )( (segid " " and resid "6 " and name "HN ") ) 5.000 5.000 0.000 peak 1740 weight 0.10000E+01 volume 0.57600E+00 ppm1 1.106 ppm2 8.347 ASSI ( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") )( (segid " " and resid "7 " and name "HN ") ) 5.000 5.000 0.000 peak 8427 weight 0.10000E+01 volume 0.33100E+00 ppm1 1.104 ppm2 8.430 ASSI ( (segid " " and resid "73 " and name "HG23") OR (segid " " and resid "73 " and name "HG22") OR (segid " " and resid "73 " and name "HG21") )( (segid " " and resid "73 " and name "HN ") ) 5.000 5.000 0.000 peak 4425 weight 0.10000E+01 volume 0.67700E+00 ppm1 1.186 ppm2 7.872 ASSI ( (segid " " and resid "73 " and name "HG23") OR (segid " " and resid "73 " and name "HG22") OR (segid " " and resid "73 " and name "HG21") )( (segid " " and resid "74 " and name "HN ") ) 6.000 6.000 0.000 peak 4424 weight 0.10000E+01 volume 0.18200E+00 ppm1 1.186 ppm2 8.168 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "61 " and name "HA ") ) 5.000 5.000 0.000 peak 2392 weight 0.10000E+01 volume 0.14690E+01 ppm1 0.811 ppm2 4.008 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "64 " and name "HA ") OR (segid " " and resid "23 " and name "HA ") OR (segid " " and resid "20 " and name "HA ") ) 5.000 5.000 0.000 peak 2393 weight 0.10000E+01 volume 0.56000E+00 ppm1 0.811 ppm2 4.164 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3557 weight 0.10000E+01 volume 0.15950E+01 ppm1 0.806 ppm2 1.425 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "24 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2248 weight 0.10000E+01 volume 0.37400E+00 ppm1 0.804 ppm2 2.173 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "24 " and name "HN ") OR (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2395 weight 0.10000E+01 volume 0.27100E+00 ppm1 0.810 ppm2 7.710 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2398 weight 0.10000E+01 volume 0.67100E+00 ppm1 0.813 ppm2 8.429 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2388 weight 0.10000E+01 volume 0.14700E+00 ppm1 0.805 ppm2 2.700 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "61 " and name "HN ") OR (segid " " and resid "21 " and name "HN ") ) 5.000 5.000 0.000 peak 2396 weight 0.10000E+01 volume 0.11500E+01 ppm1 0.805 ppm2 8.044 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "64 " and name "HN ") ) 6.000 6.000 0.000 peak 2397 weight 0.10000E+01 volume 0.23100E+00 ppm1 0.810 ppm2 8.133 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "65 " and name "HN ") ) 6.000 6.000 0.000 peak 2399 weight 0.10000E+01 volume 0.20000E+00 ppm1 0.812 ppm2 8.527 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "64 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7025 weight 0.10000E+01 volume 0.80700E+00 ppm1 0.808 ppm2 3.293 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "64 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2390 weight 0.10000E+01 volume 0.97900E+00 ppm1 0.808 ppm2 3.357 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "18 " and name "HA ") ) 5.000 5.000 0.000 peak 3076 weight 0.10000E+01 volume 0.30700E+00 ppm1 -0.845 ppm2 0.712 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 1993 weight 0.10000E+01 volume 0.58400E+00 ppm1 -0.844 ppm2 0.849 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") OR (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 5.000 5.000 0.000 peak 3966 weight 0.10000E+01 volume 0.61600E+00 ppm1 -0.844 ppm2 1.410 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "55 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3969 weight 0.10000E+01 volume 0.12970E+01 ppm1 -0.843 ppm2 1.809 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "55 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3970 weight 0.10000E+01 volume 0.86600E+00 ppm1 -0.843 ppm2 1.970 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "57 " and name "HE1 ") ) 5.000 5.000 0.000 peak 3986 weight 0.10000E+01 volume 0.37200E+00 ppm1 -0.843 ppm2 10.308 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "55 " and name "HG2 ") ) 6.000 6.000 0.000 peak 3971 weight 0.10000E+01 volume 0.27700E+00 ppm1 -0.845 ppm2 2.254 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "55 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3972 weight 0.10000E+01 volume 0.37600E+00 ppm1 -0.843 ppm2 2.444 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "52 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3974 weight 0.10000E+01 volume 0.14500E+00 ppm1 -0.845 ppm2 3.059 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "53 " and name "HA ") ) 6.000 6.000 0.000 peak 3975 weight 0.10000E+01 volume 0.25500E+00 ppm1 -0.844 ppm2 3.912 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "55 " and name "HA ") ) 6.000 6.000 0.000 peak 3976 weight 0.10000E+01 volume 0.10100E+00 ppm1 -0.842 ppm2 4.157 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "51 " and name "HA ") ) 6.000 6.000 0.000 peak 3977 weight 0.10000E+01 volume 0.16300E+00 ppm1 -0.845 ppm2 4.838 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "58 " and name "HN ") ) 3.300 3.300 0.000 peak 3978 weight 0.10000E+01 volume 0.18340E+01 ppm1 -0.841 ppm2 6.173 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "59 " and name "HN ") OR (segid " " and resid "57 " and name "HZ2 ") ) 5.000 5.000 0.000 peak 3981 weight 0.10000E+01 volume 0.10180E+01 ppm1 -0.842 ppm2 7.315 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "55 " and name "HN ") ) 5.000 5.000 0.000 peak 3982 weight 0.10000E+01 volume 0.50300E+00 ppm1 -0.844 ppm2 7.558 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "52 " and name "HN ") ) 5.000 5.000 0.000 peak 3984 weight 0.10000E+01 volume 0.40800E+00 ppm1 -0.844 ppm2 8.675 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "57 " and name "HN ") ) 6.000 6.000 0.000 peak 3985 weight 0.10000E+01 volume 0.22200E+00 ppm1 -0.844 ppm2 8.960 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "46 " and name "HN ") ) 6.000 6.000 0.000 peak 3584 weight 0.10000E+01 volume 0.72000E-01 ppm1 0.678 ppm2 8.398 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 5.000 5.000 0.000 peak 3355 weight 0.10000E+01 volume 0.87100E+00 ppm1 1.351 ppm2 0.256 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 3.300 3.300 0.000 peak 3384 weight 0.10000E+01 volume 0.23440E+01 ppm1 1.348 ppm2 0.746 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") ) 2.700 2.700 0.000 peak 2417 weight 0.10000E+01 volume 0.31040E+01 ppm1 1.351 ppm2 0.796 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "47 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2437 weight 0.10000E+01 volume 0.13790E+01 ppm1 1.351 ppm2 1.616 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "47 " and name "HB1 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3356 weight 0.10000E+01 volume 0.17490E+01 ppm1 1.346 ppm2 1.722 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "47 " and name "HD2 ") ) 6.000 6.000 0.000 peak 3368 weight 0.10000E+01 volume 0.16400E+00 ppm1 1.349 ppm2 3.152 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "23 " and name "HA ") ) 6.000 6.000 0.000 peak 3369 weight 0.10000E+01 volume 0.16500E+00 ppm1 1.349 ppm2 4.262 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "47 " and name "HA ") OR (segid " " and resid "46 " and name "HA ") ) 6.000 6.000 0.000 peak 3370 weight 0.10000E+01 volume 0.17000E+00 ppm1 1.349 ppm2 4.409 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "24 " and name "HA ") ) 5.000 5.000 0.000 peak 3372 weight 0.10000E+01 volume 0.54200E+00 ppm1 1.349 ppm2 4.693 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "42 " and name "HA ") ) 5.000 5.000 0.000 peak 3373 weight 0.10000E+01 volume 0.39300E+00 ppm1 1.348 ppm2 5.629 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "45 " and name "HN ") ) 5.000 5.000 0.000 peak 3378 weight 0.10000E+01 volume 0.39500E+00 ppm1 1.348 ppm2 7.393 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "24 " and name "HN ") OR (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 3379 weight 0.10000E+01 volume 0.18700E+00 ppm1 1.349 ppm2 7.708 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "46 " and name "HN ") ) 6.000 6.000 0.000 peak 3380 weight 0.10000E+01 volume 0.10000E+00 ppm1 1.350 ppm2 8.396 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "44 " and name "HN ") ) 5.000 5.000 0.000 peak 3381 weight 0.10000E+01 volume 0.68900E+00 ppm1 1.349 ppm2 8.652 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "25 " and name "HN ") ) 6.000 6.000 0.000 peak 3382 weight 0.10000E+01 volume 0.20900E+00 ppm1 1.349 ppm2 8.801 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "43 " and name "HN ") ) 5.000 5.000 0.000 peak 3383 weight 0.10000E+01 volume 0.14910E+01 ppm1 1.348 ppm2 8.954 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "42 " and name "HG2 ") ) 3.300 3.300 0.000 peak 3572 weight 0.10000E+01 volume 0.17000E+01 ppm1 0.681 ppm2 2.105 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "42 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3574 weight 0.10000E+01 volume 0.10520E+01 ppm1 0.681 ppm2 2.725 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "47 " and name "HA ") OR (segid " " and resid "46 " and name "HA ") ) 5.000 5.000 0.000 peak 3577 weight 0.10000E+01 volume 0.45500E+00 ppm1 0.679 ppm2 4.412 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "42 " and name "HA ") ) 3.300 3.300 0.000 peak 3578 weight 0.10000E+01 volume 0.18120E+01 ppm1 0.680 ppm2 5.634 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "47 " and name "HN ") ) 6.000 6.000 0.000 peak 3580 weight 0.10000E+01 volume 0.14400E+00 ppm1 0.681 ppm2 7.080 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") OR (segid " " and resid "46 " and name "HD2 ") ) 6.000 6.000 0.000 peak 3581 weight 0.10000E+01 volume 0.16000E+00 ppm1 0.680 ppm2 7.137 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "48 " and name "HN ") ) 5.000 5.000 0.000 peak 3582 weight 0.10000E+01 volume 0.56700E+00 ppm1 0.680 ppm2 7.857 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "42 " and name "HN ") ) 5.000 5.000 0.000 peak 3583 weight 0.10000E+01 volume 0.31200E+00 ppm1 0.679 ppm2 8.545 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "49 " and name "HN ") OR (segid " " and resid "43 " and name "HN ") ) 5.000 5.000 0.000 peak 3585 weight 0.10000E+01 volume 0.13920E+01 ppm1 0.682 ppm2 8.967 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") OR (segid " " and resid "26 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3575 weight 0.10000E+01 volume 0.19200E+00 ppm1 0.682 ppm2 3.140 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "46 " and name "HB1 ") OR (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3576 weight 0.10000E+01 volume 0.17500E+00 ppm1 0.682 ppm2 3.352 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") )( (segid " " and resid "68 " and name "HE21") ) 6.000 6.000 0.000 peak 4542 weight 0.10000E+01 volume 0.13800E+00 ppm1 0.757 ppm2 7.397 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") )( (segid " " and resid "25 " and name "HA ") ) 5.000 5.000 0.000 peak 4537 weight 0.10000E+01 volume 0.11580E+01 ppm1 0.753 ppm2 4.697 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2464 weight 0.10000E+01 volume 0.65600E+00 ppm1 0.815 ppm2 3.189 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "20 " and name "HD2 ") ) 6.000 6.000 0.000 peak 2465 weight 0.10000E+01 volume 0.19000E+00 ppm1 0.815 ppm2 3.446 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "20 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2466 weight 0.10000E+01 volume 0.98000E-01 ppm1 0.814 ppm2 3.603 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 2469 weight 0.10000E+01 volume 0.14900E+00 ppm1 0.815 ppm2 4.862 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "45 " and name "HE22") ) 6.000 6.000 0.000 peak 2470 weight 0.10000E+01 volume 0.11600E+00 ppm1 0.814 ppm2 6.737 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "44 " and name "HE ") ) 6.000 6.000 0.000 peak 2471 weight 0.10000E+01 volume 0.12600E+00 ppm1 0.814 ppm2 7.200 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2472 weight 0.10000E+01 volume 0.68100E+00 ppm1 0.816 ppm2 7.727 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2473 weight 0.10000E+01 volume 0.75000E-01 ppm1 0.818 ppm2 8.425 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "44 " and name "HN ") ) 6.000 6.000 0.000 peak 2474 weight 0.10000E+01 volume 0.13100E+00 ppm1 0.813 ppm2 8.654 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") OR (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 5.000 5.000 0.000 peak 4539 weight 0.10000E+01 volume 0.34000E+00 ppm1 0.752 ppm2 6.842 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") OR (segid " " and resid "41 " and name "HD23") )( (segid " " and resid "26 " and name "HN ") OR (segid " " and resid "24 " and name "HN ") ) 5.000 5.000 0.000 peak 4540 weight 0.10000E+01 volume 0.71700E+00 ppm1 0.753 ppm2 7.686 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") OR (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "68 " and name "HN ") OR (segid " " and resid "27 " and name "HN ") ) 5.000 5.000 0.000 peak 4541 weight 0.10000E+01 volume 0.53200E+00 ppm1 0.754 ppm2 7.875 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") OR (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "66 " and name "HA ") OR (segid " " and resid "39 " and name "HA ") OR (segid " " and resid "29 " and name "HA ") OR (segid " " and resid "28 " and name "HA ") ) 6.000 6.000 0.000 peak 4530 weight 0.10000E+01 volume 0.23100E+00 ppm1 0.751 ppm2 4.495 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") OR (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") )( (segid " " and resid "65 " and name "HN ") OR (segid " " and resid "42 " and name "HN ") ) 5.000 5.000 0.000 peak 4532 weight 0.10000E+01 volume 0.14110E+01 ppm1 0.750 ppm2 8.540 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "57 " and name "HZ3 ") OR (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3269 weight 0.10000E+01 volume 0.12570E+01 ppm1 0.750 ppm2 6.702 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 4531 weight 0.10000E+01 volume 0.82800E+00 ppm1 0.748 ppm2 0.226 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "27 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3263 weight 0.10000E+01 volume 0.21890E+01 ppm1 0.751 ppm2 2.563 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "27 " and name "HB2 ") ) 3.300 3.300 0.000 peak 3264 weight 0.10000E+01 volume 0.16250E+01 ppm1 0.749 ppm2 2.824 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "27 " and name "HA ") ) 5.000 5.000 0.000 peak 3266 weight 0.10000E+01 volume 0.93200E+00 ppm1 0.750 ppm2 5.907 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "28 " and name "HN ") ) 5.000 5.000 0.000 peak 3268 weight 0.10000E+01 volume 0.44200E+00 ppm1 0.749 ppm2 8.700 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "41 " and name "HN ") ) 5.000 5.000 0.000 peak 3267 weight 0.10000E+01 volume 0.43500E+00 ppm1 0.747 ppm2 9.403 ASSI ( (segid " " and resid "72 " and name "HD23") OR (segid " " and resid "72 " and name "HD22") OR (segid " " and resid "72 " and name "HD21") )( (segid " " and resid "73 " and name "HN ") OR (segid " " and resid "72 " and name "HN ") ) 5.000 5.000 0.000 peak 4414 weight 0.10000E+01 volume 0.38500E+00 ppm1 0.864 ppm2 7.851 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "50 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3010 weight 0.10000E+01 volume 0.77400E+00 ppm1 1.369 ppm2 3.725 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 3.300 3.300 0.000 peak 3776 weight 0.10000E+01 volume 0.25140E+01 ppm1 1.371 ppm2 1.925 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "12 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7377 weight 0.10000E+01 volume 0.80200E+00 ppm1 1.369 ppm2 2.626 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") OR (segid " " and resid "39 " and name "HG22") ) 5.000 5.000 0.000 peak 2997 weight 0.10000E+01 volume 0.13700E+01 ppm1 1.367 ppm2 0.747 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "50 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3004 weight 0.10000E+01 volume 0.15690E+01 ppm1 1.371 ppm2 2.536 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "30 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3005 weight 0.10000E+01 volume 0.88100E+00 ppm1 1.369 ppm2 2.717 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "30 " and name "HB1 ") OR (segid " " and resid "15 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3006 weight 0.10000E+01 volume 0.72000E+00 ppm1 1.371 ppm2 2.842 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "12 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3007 weight 0.10000E+01 volume 0.76200E+00 ppm1 1.369 ppm2 3.035 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "37 " and name "HA ") ) 5.000 5.000 0.000 peak 3008 weight 0.10000E+01 volume 0.43000E+00 ppm1 1.369 ppm2 4.184 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "39 " and name "HA ") ) 5.000 5.000 0.000 peak 3011 weight 0.10000E+01 volume 0.40600E+00 ppm1 1.367 ppm2 4.494 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "50 " and name "HA ") ) 5.000 5.000 0.000 peak 3014 weight 0.10000E+01 volume 0.78400E+00 ppm1 1.367 ppm2 5.113 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "30 " and name "HD22") ) 5.000 5.000 0.000 peak 3016 weight 0.10000E+01 volume 0.32800E+00 ppm1 1.367 ppm2 6.773 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "30 " and name "HD21") ) 5.000 5.000 0.000 peak 3017 weight 0.10000E+01 volume 0.44100E+00 ppm1 1.365 ppm2 7.298 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "38 " and name "HN ") ) 5.000 5.000 0.000 peak 3018 weight 0.10000E+01 volume 0.12090E+01 ppm1 1.363 ppm2 7.817 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "36 " and name "HN ") ) 6.000 6.000 0.000 peak 3019 weight 0.10000E+01 volume 0.16000E+00 ppm1 1.365 ppm2 8.013 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "54 " and name "HN ") OR (segid " " and resid "12 " and name "HN ") ) 6.000 6.000 0.000 peak 3020 weight 0.10000E+01 volume 0.13000E+00 ppm1 1.367 ppm2 8.188 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "52 " and name "HN ") OR (segid " " and resid "30 " and name "HN ") ) 6.000 6.000 0.000 peak 3022 weight 0.10000E+01 volume 0.28400E+00 ppm1 1.367 ppm2 8.679 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "39 " and name "HN ") ) 3.300 3.300 0.000 peak 3023 weight 0.10000E+01 volume 0.20450E+01 ppm1 1.365 ppm2 9.036 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "51 " and name "HN ") ) 5.000 5.000 0.000 peak 3024 weight 0.10000E+01 volume 0.99200E+00 ppm1 1.364 ppm2 9.806 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "37 " and name "HN ") ) 6.000 6.000 0.000 peak 3021 weight 0.10000E+01 volume 0.95000E-01 ppm1 1.363 ppm2 8.312 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3009 weight 0.10000E+01 volume 0.74100E+00 ppm1 1.369 ppm2 4.049 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "40 " and name "HN ") OR (segid " " and resid "13 " and name "HN ") ) 6.000 6.000 0.000 peak 3025 weight 0.10000E+01 volume 0.11100E+00 ppm1 1.365 ppm2 9.359 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "50 " and name "HN ") ) 6.000 6.000 0.000 peak 3026 weight 0.10000E+01 volume 0.13500E+00 ppm1 1.361 ppm2 9.203 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "20 " and name "HA ") OR (segid " " and resid "19 " and name "HA ") ) 6.000 6.000 0.000 peak 2140 weight 0.10000E+01 volume 0.13600E+00 ppm1 0.184 ppm2 4.136 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 2141 weight 0.10000E+01 volume 0.36400E+00 ppm1 0.185 ppm2 5.312 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "57 " and name "HE3 ") ) 6.000 6.000 0.000 peak 2142 weight 0.10000E+01 volume 0.12300E+00 ppm1 0.188 ppm2 7.330 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "18 " and name "HN ") ) 5.000 5.000 0.000 peak 2143 weight 0.10000E+01 volume 0.33900E+00 ppm1 0.186 ppm2 7.496 ASSI ( (segid " " and resid "18 " and name "HG1 ") )( (segid " " and resid "18 " and name "HN ") ) 6.000 6.000 0.000 peak 2131 weight 0.10000E+01 volume 0.27300E+00 ppm1 0.374 ppm2 7.496 ASSI ( (segid " " and resid "18 " and name "HG1 ") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 2129 weight 0.10000E+01 volume 0.36100E+00 ppm1 0.376 ppm2 5.311 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "57 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2139 weight 0.10000E+01 volume 0.13700E+00 ppm1 0.185 ppm2 3.501 ASSI ( (segid " " and resid "18 " and name "HG1 ") )( (segid " " and resid "57 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2128 weight 0.10000E+01 volume 0.18400E+00 ppm1 0.373 ppm2 3.510 ASSI ( (segid " " and resid "18 " and name "HG1 ") )( (segid " " and resid "57 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2127 weight 0.10000E+01 volume 0.13600E+00 ppm1 0.371 ppm2 3.219 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "41 " and name "HN ") OR (segid " " and resid "40 " and name "HN ") ) 6.000 6.000 0.000 peak 3678 weight 0.10000E+01 volume 0.13400E+00 ppm1 1.077 ppm2 9.402 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "53 " and name "HA ") ) 6.000 6.000 0.000 peak 3663 weight 0.10000E+01 volume 0.11600E+00 ppm1 1.075 ppm2 3.911 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "27 " and name "HB2 ") OR (segid " " and resid "15 " and name "HG1 ") ) 6.000 6.000 0.000 peak 3661 weight 0.10000E+01 volume 0.86000E-01 ppm1 1.075 ppm2 2.846 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3664 weight 0.10000E+01 volume 0.97000E-01 ppm1 1.076 ppm2 4.049 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "16 " and name "HB ") ) 6.000 6.000 0.000 peak 3665 weight 0.10000E+01 volume 0.14600E+00 ppm1 1.076 ppm2 4.306 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 2.700 2.700 0.000 peak 3647 weight 0.10000E+01 volume 0.32600E+01 ppm1 1.082 ppm2 -0.832 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 3.300 3.300 0.000 peak 2576 weight 0.10000E+01 volume 0.17270E+01 ppm1 1.080 ppm2 0.715 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 2.700 2.700 0.000 peak 2521 weight 0.10000E+01 volume 0.34060E+01 ppm1 1.079 ppm2 0.843 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 2.700 2.700 0.000 peak 2532 weight 0.10000E+01 volume 0.30200E+01 ppm1 1.080 ppm2 1.402 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "41 " and name "HG ") OR (segid " " and resid "39 " and name "HB ") ) 3.300 3.300 0.000 peak 2604 weight 0.10000E+01 volume 0.20360E+01 ppm1 1.078 ppm2 1.665 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "55 " and name "HB2 ") OR (segid " " and resid "41 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2958 weight 0.10000E+01 volume 0.72800E+00 ppm1 1.078 ppm2 1.826 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "55 " and name "HG2 ") OR (segid " " and resid "15 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2980 weight 0.10000E+01 volume 0.14300E+00 ppm1 1.077 ppm2 2.286 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "55 " and name "HG1 ") OR (segid " " and resid "52 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3659 weight 0.10000E+01 volume 0.32900E+00 ppm1 1.080 ppm2 2.459 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "58 " and name "HA ") OR (segid " " and resid "49 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3660 weight 0.10000E+01 volume 0.60700E+00 ppm1 1.078 ppm2 2.566 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "52 " and name "HB1 ") OR (segid " " and resid "49 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3662 weight 0.10000E+01 volume 0.25900E+00 ppm1 1.080 ppm2 3.070 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "39 " and name "HA ") OR (segid " " and resid "16 " and name "HA ") ) 6.000 6.000 0.000 peak 3666 weight 0.10000E+01 volume 0.18200E+00 ppm1 1.078 ppm2 4.487 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "50 " and name "HA ") ) 5.000 5.000 0.000 peak 3670 weight 0.10000E+01 volume 0.38300E+00 ppm1 1.076 ppm2 5.123 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 3671 weight 0.10000E+01 volume 0.12000E+00 ppm1 1.075 ppm2 6.172 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "57 " and name "HZ3 ") ) 5.000 5.000 0.000 peak 3673 weight 0.10000E+01 volume 0.32700E+00 ppm1 1.076 ppm2 6.679 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "52 " and name "HN ") ) 5.000 5.000 0.000 peak 3675 weight 0.10000E+01 volume 0.11160E+01 ppm1 1.077 ppm2 8.675 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "39 " and name "HN ") OR (segid " " and resid "16 " and name "HN ") ) 5.000 5.000 0.000 peak 3677 weight 0.10000E+01 volume 0.54000E+00 ppm1 1.077 ppm2 9.046 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "51 " and name "HN ") ) 5.000 5.000 0.000 peak 3679 weight 0.10000E+01 volume 0.14660E+01 ppm1 1.077 ppm2 9.808 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 5.000 5.000 0.000 peak 2538 weight 0.10000E+01 volume 0.12140E+01 ppm1 0.792 ppm2 0.252 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") OR (segid " " and resid "24 " and name "HB2 ") ) 2.700 2.700 0.000 peak 2201 weight 0.10000E+01 volume 0.30820E+01 ppm1 0.795 ppm2 1.319 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "41 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2385 weight 0.10000E+01 volume 0.11610E+01 ppm1 0.795 ppm2 1.495 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "41 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2086 weight 0.10000E+01 volume 0.11360E+01 ppm1 0.795 ppm2 1.829 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 2550 weight 0.10000E+01 volume 0.28500E+00 ppm1 0.791 ppm2 4.846 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "41 " and name "HA ") ) 6.000 6.000 0.000 peak 2551 weight 0.10000E+01 volume 0.29600E+00 ppm1 0.791 ppm2 4.985 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "43 " and name "HA ") ) 5.000 5.000 0.000 peak 2553 weight 0.10000E+01 volume 0.85000E+00 ppm1 0.790 ppm2 5.440 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "57 " and name "HZ3 ") ) 6.000 6.000 0.000 peak 2556 weight 0.10000E+01 volume 0.17200E+00 ppm1 0.792 ppm2 6.669 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "26 " and name "HN ") OR (segid " " and resid "24 " and name "HN ") ) 5.000 5.000 0.000 peak 2558 weight 0.10000E+01 volume 0.78200E+00 ppm1 0.793 ppm2 7.700 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 2559 weight 0.10000E+01 volume 0.24900E+00 ppm1 0.791 ppm2 8.547 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "44 " and name "HN ") ) 6.000 6.000 0.000 peak 2560 weight 0.10000E+01 volume 0.19500E+00 ppm1 0.793 ppm2 8.658 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "25 " and name "HN ") ) 5.000 5.000 0.000 peak 2561 weight 0.10000E+01 volume 0.45000E+00 ppm1 0.794 ppm2 8.818 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "49 " and name "HN ") OR (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 2562 weight 0.10000E+01 volume 0.15800E+00 ppm1 0.791 ppm2 8.950 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2557 weight 0.10000E+01 volume 0.18400E+00 ppm1 0.793 ppm2 7.145 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "49 " and name "HB2 ") OR (segid " " and resid "27 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2547 weight 0.10000E+01 volume 0.18300E+00 ppm1 0.790 ppm2 2.562 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 2548 weight 0.10000E+01 volume 0.31500E+00 ppm1 0.793 ppm2 3.676 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "23 " and name "HA ") OR (segid " " and resid "20 " and name "HA ") OR (segid " " and resid "19 " and name "HA ") ) 6.000 6.000 0.000 peak 2552 weight 0.10000E+01 volume 0.11800E+00 ppm1 0.790 ppm2 4.150 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "42 " and name "HA ") ) 6.000 6.000 0.000 peak 2555 weight 0.10000E+01 volume 0.76000E-01 ppm1 0.789 ppm2 5.632 ASSI ( (segid " " and resid "7 " and name "HG2 ") OR (segid " " and resid "7 " and name "HG1 ") )( (segid " " and resid "7 " and name "HN ") ) 6.000 6.000 0.000 peak 1755 weight 0.10000E+01 volume 0.27200E+00 ppm1 1.293 ppm2 8.385 ASSI ( (segid " " and resid "7 " and name "HG2 ") OR (segid " " and resid "7 " and name "HG1 ") )( (segid " " and resid "8 " and name "HN ") ) 6.000 6.000 0.000 peak 1756 weight 0.10000E+01 volume 0.16200E+00 ppm1 1.294 ppm2 8.457 ASSI ( (segid " " and resid "46 " and name "HB1 ") )( (segid " " and resid "47 " and name "HN ") ) 6.000 6.000 0.000 peak 2204 weight 0.10000E+01 volume 0.10100E+00 ppm1 3.330 ppm2 7.058 ASSI ( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") )( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") ) 6.000 6.000 0.000 peak 1969 weight 0.10000E+01 volume 0.22100E+00 ppm1 1.408 ppm2 3.826 ASSI ( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") )( (segid " " and resid "14 " and name "HN ") ) 6.000 6.000 0.000 peak 1971 weight 0.10000E+01 volume 0.16600E+00 ppm1 1.412 ppm2 8.096 ASSI ( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") )( (segid " " and resid "15 " and name "HN ") ) 5.000 5.000 0.000 peak 1972 weight 0.10000E+01 volume 0.30600E+00 ppm1 1.411 ppm2 8.808 ASSI ( (segid " " and resid "46 " and name "HB1 ") )( (segid " " and resid "46 " and name "HN ") ) 5.000 5.000 0.000 peak 3479 weight 0.10000E+01 volume 0.33000E+00 ppm1 3.329 ppm2 8.401 ASSI ( (segid " " and resid "46 " and name "HB2 ") )( (segid " " and resid "46 " and name "HN ") ) 6.000 6.000 0.000 peak 2339 weight 0.10000E+01 volume 0.28300E+00 ppm1 3.596 ppm2 8.404 ASSI ( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "72 " and name "HD11") OR (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "72 " and name "HB1 ") OR (segid " " and resid "20 " and name "HG2 ") ) 2.700 2.700 0.000 peak 1848 weight 0.10000E+01 volume 0.34200E+01 ppm1 0.872 ppm2 1.768 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "20 " and name "HG1 ") ) 5.000 5.000 0.000 peak 2449 weight 0.10000E+01 volume 0.11710E+01 ppm1 0.870 ppm2 1.982 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "20 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2451 weight 0.10000E+01 volume 0.49700E+00 ppm1 0.869 ppm2 2.279 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") OR (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2455 weight 0.10000E+01 volume 0.12500E+00 ppm1 0.869 ppm2 3.179 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "20 " and name "HD2 ") ) 5.000 5.000 0.000 peak 2456 weight 0.10000E+01 volume 0.13000E+01 ppm1 0.871 ppm2 3.447 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "20 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2457 weight 0.10000E+01 volume 0.73500E+00 ppm1 0.871 ppm2 3.605 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "20 " and name "HA ") OR (segid " " and resid "19 " and name "HA ") ) 5.000 5.000 0.000 peak 2458 weight 0.10000E+01 volume 0.52000E+00 ppm1 0.871 ppm2 4.133 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 2460 weight 0.10000E+01 volume 0.13700E+00 ppm1 0.868 ppm2 4.864 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2461 weight 0.10000E+01 volume 0.61900E+00 ppm1 0.871 ppm2 7.730 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "44 " and name "HN ") ) 6.000 6.000 0.000 peak 2462 weight 0.10000E+01 volume 0.91000E-01 ppm1 0.874 ppm2 8.641 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2463 weight 0.10000E+01 volume 0.82000E-01 ppm1 0.873 ppm2 8.436 ASSI ( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "69 " and name "HA ") OR (segid " " and resid "23 " and name "HA ") ) 5.000 5.000 0.000 peak 4410 weight 0.10000E+01 volume 0.39900E+00 ppm1 0.920 ppm2 4.210 ASSI ( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "72 " and name "HD11") )( (segid " " and resid "73 " and name "HN ") OR (segid " " and resid "72 " and name "HN ") ) 6.000 6.000 0.000 peak 4411 weight 0.10000E+01 volume 0.19500E+00 ppm1 0.922 ppm2 7.871 ASSI ( (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") )( (segid " " and resid "54 " and name "HN ") ) 5.000 5.000 0.000 peak 3783 weight 0.10000E+01 volume 0.10450E+01 ppm1 1.337 ppm2 8.208 ASSI ( (segid " " and resid "59 " and name "HG1 ") OR (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") )( (segid " " and resid "55 " and name "HN ") ) 6.000 6.000 0.000 peak 3782 weight 0.10000E+01 volume 0.21600E+00 ppm1 1.337 ppm2 7.567 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "56 " and name "HA ") ) 6.000 6.000 0.000 peak 4033 weight 0.10000E+01 volume 0.25700E+00 ppm1 1.185 ppm2 3.613 ASSI ( (segid " " and resid "59 " and name "HG1 ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 4037 weight 0.10000E+01 volume 0.85000E-01 ppm1 1.378 ppm2 6.168 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 4036 weight 0.10000E+01 volume 0.72000E-01 ppm1 1.186 ppm2 6.167 ASSI ( (segid " " and resid "59 " and name "HG1 ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 4024 weight 0.10000E+01 volume 0.33500E+00 ppm1 1.377 ppm2 3.618 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "59 " and name "HN ") ) 5.000 5.000 0.000 peak 4038 weight 0.10000E+01 volume 0.65200E+00 ppm1 1.188 ppm2 7.296 ASSI ( (segid " " and resid "59 " and name "HG1 ") )( (segid " " and resid "59 " and name "HN ") ) 5.000 5.000 0.000 peak 4026 weight 0.10000E+01 volume 0.74600E+00 ppm1 1.378 ppm2 7.296 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "60 " and name "HN ") ) 6.000 6.000 0.000 peak 4039 weight 0.10000E+01 volume 0.12700E+00 ppm1 1.182 ppm2 8.688 ASSI ( (segid " " and resid "59 " and name "HG1 ") )( (segid " " and resid "60 " and name "HN ") ) 6.000 6.000 0.000 peak 4027 weight 0.10000E+01 volume 0.11300E+00 ppm1 1.376 ppm2 8.688 ASSI ( (segid " " and resid "36 " and name "HG2 ") OR (segid " " and resid "36 " and name "HG1 ") )( (segid " " and resid "13 " and name "HA ") ) 6.000 6.000 0.000 peak 2961 weight 0.10000E+01 volume 0.17800E+00 ppm1 1.469 ppm2 4.371 ASSI ( (segid " " and resid "36 " and name "HG2 ") )( (segid " " and resid "13 " and name "HA ") ) 6.000 6.000 0.000 peak 2967 weight 0.10000E+01 volume 0.23900E+00 ppm1 1.418 ppm2 4.373 ASSI ( (segid " " and resid "36 " and name "HG2 ") )( (segid " " and resid "36 " and name "HN ") ) 5.000 5.000 0.000 peak 2969 weight 0.10000E+01 volume 0.50900E+00 ppm1 1.413 ppm2 8.030 ASSI ( (segid " " and resid "36 " and name "HG2 ") )( (segid " " and resid "37 " and name "HN ") ) 6.000 6.000 0.000 peak 2968 weight 0.10000E+01 volume 0.20800E+00 ppm1 1.415 ppm2 8.305 ASSI ( (segid " " and resid "36 " and name "HG2 ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 5.000 5.000 0.000 peak 3767 weight 0.10000E+01 volume 0.34800E+00 ppm1 1.416 ppm2 1.923 ASSI ( (segid " " and resid "36 " and name "HG2 ") OR (segid " " and resid "36 " and name "HG1 ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 6.000 6.000 0.000 peak 3749 weight 0.10000E+01 volume 0.24700E+00 ppm1 1.467 ppm2 1.924 ASSI ( (segid " " and resid "36 " and name "HG1 ") )( (segid " " and resid "37 " and name "HN ") ) 6.000 6.000 0.000 peak 2963 weight 0.10000E+01 volume 0.20100E+00 ppm1 1.470 ppm2 8.306 ASSI ( (segid " " and resid "36 " and name "HG1 ") )( (segid " " and resid "36 " and name "HN ") ) 5.000 5.000 0.000 peak 2962 weight 0.10000E+01 volume 0.51700E+00 ppm1 1.470 ppm2 8.029 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "10 " and name "HA ") ) 6.000 6.000 0.000 peak 3559 weight 0.10000E+01 volume 0.75000E-01 ppm1 0.744 ppm2 4.238 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "42 " and name "HG1 ") OR (segid " " and resid "9 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3558 weight 0.10000E+01 volume 0.92800E+00 ppm1 0.743 ppm2 2.718 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "47 " and name "HA ") OR (segid " " and resid "46 " and name "HA ") ) 6.000 6.000 0.000 peak 3560 weight 0.10000E+01 volume 0.21600E+00 ppm1 0.744 ppm2 4.432 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "28 " and name "HE22") ) 6.000 6.000 0.000 peak 3563 weight 0.10000E+01 volume 0.13400E+00 ppm1 0.743 ppm2 6.858 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "28 " and name "HE21") OR (segid " " and resid "9 " and name "HD21") ) 6.000 6.000 0.000 peak 3564 weight 0.10000E+01 volume 0.18100E+00 ppm1 0.743 ppm2 7.578 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "48 " and name "HN ") ) 5.000 5.000 0.000 peak 3565 weight 0.10000E+01 volume 0.32700E+00 ppm1 0.743 ppm2 7.852 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "49 " and name "HN ") OR (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 3566 weight 0.10000E+01 volume 0.15500E+00 ppm1 0.744 ppm2 8.969 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "42 " and name "HA ") ) 6.000 6.000 0.000 peak 3562 weight 0.10000E+01 volume 0.10300E+00 ppm1 0.743 ppm2 5.633 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "42 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2578 weight 0.10000E+01 volume 0.27100E+00 ppm1 1.070 ppm2 1.959 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "42 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2594 weight 0.10000E+01 volume 0.18100E+00 ppm1 0.614 ppm2 1.974 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "42 " and name "HG2 ") ) 6.000 6.000 0.000 peak 2579 weight 0.10000E+01 volume 0.18600E+00 ppm1 1.068 ppm2 2.100 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "42 " and name "HG2 ") ) 6.000 6.000 0.000 peak 2595 weight 0.10000E+01 volume 0.16700E+00 ppm1 0.614 ppm2 2.103 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "42 " and name "HG1 ") ) 6.000 6.000 0.000 peak 2580 weight 0.10000E+01 volume 0.25000E+00 ppm1 1.068 ppm2 2.727 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "42 " and name "HG1 ") ) 6.000 6.000 0.000 peak 2596 weight 0.10000E+01 volume 0.19100E+00 ppm1 0.614 ppm2 2.730 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "26 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2597 weight 0.10000E+01 volume 0.13600E+00 ppm1 0.614 ppm2 3.147 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "26 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2581 weight 0.10000E+01 volume 0.32700E+00 ppm1 1.069 ppm2 3.149 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2598 weight 0.10000E+01 volume 0.18200E+00 ppm1 0.616 ppm2 3.356 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "26 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2582 weight 0.10000E+01 volume 0.36000E+00 ppm1 1.069 ppm2 3.356 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "44 " and name "HA ") ) 6.000 6.000 0.000 peak 2583 weight 0.10000E+01 volume 0.18700E+00 ppm1 1.068 ppm2 3.782 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "25 " and name "HA ") ) 5.000 5.000 0.000 peak 2584 weight 0.10000E+01 volume 0.32400E+00 ppm1 1.071 ppm2 4.696 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "25 " and name "HA ") OR (segid " " and resid "24 " and name "HA ") ) 5.000 5.000 0.000 peak 2600 weight 0.10000E+01 volume 0.33300E+00 ppm1 0.615 ppm2 4.698 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 2601 weight 0.10000E+01 volume 0.99000E-01 ppm1 0.613 ppm2 5.452 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 2585 weight 0.10000E+01 volume 0.77000E-01 ppm1 1.070 ppm2 5.458 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "26 " and name "HN ") ) 5.000 5.000 0.000 peak 2602 weight 0.10000E+01 volume 0.32000E+00 ppm1 0.612 ppm2 7.673 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "26 " and name "HN ") ) 5.000 5.000 0.000 peak 2587 weight 0.10000E+01 volume 0.50900E+00 ppm1 1.068 ppm2 7.675 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "25 " and name "HN ") ) 5.000 5.000 0.000 peak 2588 weight 0.10000E+01 volume 0.49000E+00 ppm1 1.071 ppm2 8.819 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "25 " and name "HN ") ) 5.000 5.000 0.000 peak 2603 weight 0.10000E+01 volume 0.60700E+00 ppm1 0.616 ppm2 8.820 ASSI ( (segid " " and resid "24 " and name "HG ") )( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") OR (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 5.000 5.000 0.000 peak 2509 weight 0.10000E+01 volume 0.81600E+00 ppm1 1.916 ppm2 0.744 ASSI ( (segid " " and resid "24 " and name "HG ") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 2514 weight 0.10000E+01 volume 0.65400E+00 ppm1 1.915 ppm2 3.681 ASSI ( (segid " " and resid "24 " and name "HG ") )( (segid " " and resid "24 " and name "HN ") ) 5.000 5.000 0.000 peak 2516 weight 0.10000E+01 volume 0.99500E+00 ppm1 1.915 ppm2 7.702 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "62 " and name "HG2 ") ) 6.000 6.000 0.000 peak 4307 weight 0.10000E+01 volume 0.12300E+00 ppm1 0.821 ppm2 0.439 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "24 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3143 weight 0.10000E+01 volume 0.87200E+00 ppm1 0.820 ppm2 1.290 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3156 weight 0.10000E+01 volume 0.67400E+00 ppm1 0.817 ppm2 1.421 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "24 " and name "HB1 ") ) 3.300 3.300 0.000 peak 2182 weight 0.10000E+01 volume 0.15690E+01 ppm1 0.818 ppm2 2.165 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "27 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4319 weight 0.10000E+01 volume 0.76400E+00 ppm1 0.816 ppm2 2.564 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "27 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4321 weight 0.10000E+01 volume 0.49200E+00 ppm1 0.818 ppm2 2.835 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "26 " and name "HB2 ") ) 6.000 6.000 0.000 peak 4322 weight 0.10000E+01 volume 0.11000E+00 ppm1 0.819 ppm2 3.142 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 4323 weight 0.10000E+01 volume 0.84500E+00 ppm1 0.817 ppm2 3.362 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "25 " and name "HA ") OR (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 4325 weight 0.10000E+01 volume 0.22400E+00 ppm1 0.817 ppm2 4.694 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "26 " and name "HA ") ) 5.000 5.000 0.000 peak 4326 weight 0.10000E+01 volume 0.61900E+00 ppm1 0.817 ppm2 4.999 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "27 " and name "HA ") ) 6.000 6.000 0.000 peak 4327 weight 0.10000E+01 volume 0.21800E+00 ppm1 0.819 ppm2 5.909 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "26 " and name "HN ") ) 5.000 5.000 0.000 peak 4332 weight 0.10000E+01 volume 0.43700E+00 ppm1 0.820 ppm2 7.677 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "27 " and name "HN ") ) 5.000 5.000 0.000 peak 4333 weight 0.10000E+01 volume 0.41700E+00 ppm1 0.818 ppm2 7.855 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "65 " and name "HN ") ) 5.000 5.000 0.000 peak 4334 weight 0.10000E+01 volume 0.62000E+00 ppm1 0.818 ppm2 8.533 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "66 " and name "HN ") ) 6.000 6.000 0.000 peak 4335 weight 0.10000E+01 volume 0.16200E+00 ppm1 0.817 ppm2 8.899 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "44 " and name "HN ") OR (segid " " and resid "28 " and name "HN ") ) 6.000 6.000 0.000 peak 4337 weight 0.10000E+01 volume 0.10700E+00 ppm1 0.816 ppm2 8.698 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "64 " and name "HD2 ") ) 6.000 6.000 0.000 peak 4330 weight 0.10000E+01 volume 0.18700E+00 ppm1 0.818 ppm2 6.973 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 3232 weight 0.10000E+01 volume 0.11300E+00 ppm1 1.657 ppm2 0.230 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 3241 weight 0.10000E+01 volume 0.86000E-01 ppm1 1.656 ppm2 8.552 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "41 " and name "HN ") ) 5.000 5.000 0.000 peak 3240 weight 0.10000E+01 volume 0.47400E+00 ppm1 1.659 ppm2 9.412 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3235 weight 0.10000E+01 volume 0.57700E+00 ppm1 1.657 ppm2 1.083 ASSI ( (segid " " and resid "57 " and name "HB1 ") )( (segid " " and resid "18 " and name "HG2 ") ) 6.000 6.000 0.000 peak 3905 weight 0.10000E+01 volume 0.10600E+00 ppm1 3.214 ppm2 0.201 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "58 " and name "HA ") OR (segid " " and resid "49 " and name "HB2 ") OR (segid " " and resid "27 " and name "HB1 ") ) 6.000 6.000 0.000 peak 1718 weight 0.10000E+01 volume 0.15100E+00 ppm1 1.656 ppm2 2.569 ASSI ( (segid " " and resid "57 " and name "HB2 ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 3900 weight 0.10000E+01 volume 0.11200E+00 ppm1 3.506 ppm2 6.171 ASSI ( (segid " " and resid "57 " and name "HB2 ") )( (segid " " and resid "57 " and name "HE3 ") ) 5.000 5.000 0.000 peak 3901 weight 0.10000E+01 volume 0.75900E+00 ppm1 3.502 ppm2 7.327 ASSI ( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") )( (segid " " and resid "29 " and name "HE22") OR (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3113 weight 0.10000E+01 volume 0.89000E-01 ppm1 1.258 ppm2 6.708 ASSI ( (segid " " and resid "57 " and name "HB2 ") )( (segid " " and resid "57 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3902 weight 0.10000E+01 volume 0.35600E+00 ppm1 3.499 ppm2 7.635 ASSI ( (segid " " and resid "57 " and name "HB2 ") )( (segid " " and resid "57 " and name "HN ") ) 5.000 5.000 0.000 peak 3903 weight 0.10000E+01 volume 0.68600E+00 ppm1 3.497 ppm2 8.953 ASSI ( (segid " " and resid "39 " and name "HG11") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 3103 weight 0.10000E+01 volume 0.88000E+00 ppm1 1.268 ppm2 0.220 ASSI ( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") )( (segid " " and resid "53 " and name "HG1 ") ) 3.300 3.300 0.000 peak 3117 weight 0.10000E+01 volume 0.17420E+01 ppm1 1.267 ppm2 1.754 ASSI ( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") )( (segid " " and resid "53 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3066 weight 0.10000E+01 volume 0.11280E+01 ppm1 1.263 ppm2 2.012 ASSI ( (segid " " and resid "39 " and name "HG11") )( (segid " " and resid "53 " and name "HA ") ) 5.000 5.000 0.000 peak 3109 weight 0.10000E+01 volume 0.57900E+00 ppm1 1.263 ppm2 3.917 ASSI ( (segid " " and resid "39 " and name "HG12") )( (segid " " and resid "53 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3110 weight 0.10000E+01 volume 0.52200E+00 ppm1 1.266 ppm2 4.048 ASSI ( (segid " " and resid "39 " and name "HG12") )( (segid " " and resid "39 " and name "HN ") ) 5.000 5.000 0.000 peak 3114 weight 0.10000E+01 volume 0.59000E+00 ppm1 1.267 ppm2 9.030 ASSI ( (segid " " and resid "57 " and name "HB1 ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 3910 weight 0.10000E+01 volume 0.11800E+00 ppm1 3.210 ppm2 6.182 ASSI ( (segid " " and resid "57 " and name "HB1 ") )( (segid " " and resid "57 " and name "HE3 ") ) 5.000 5.000 0.000 peak 3912 weight 0.10000E+01 volume 0.42400E+00 ppm1 3.208 ppm2 7.323 ASSI ( (segid " " and resid "57 " and name "HB1 ") )( (segid " " and resid "57 " and name "HD1 ") ) 5.000 5.000 0.000 peak 3911 weight 0.10000E+01 volume 0.55500E+00 ppm1 3.212 ppm2 7.638 ASSI ( (segid " " and resid "57 " and name "HB1 ") )( (segid " " and resid "57 " and name "HN ") ) 5.000 5.000 0.000 peak 3913 weight 0.10000E+01 volume 0.99800E+00 ppm1 3.210 ppm2 8.954 ASSI ( (segid " " and resid "57 " and name "HB2 ") )( (segid " " and resid "57 " and name "HB1 ") ) 2.700 2.700 0.000 peak 3898 weight 0.10000E+01 volume 0.30200E+01 ppm1 3.500 ppm2 3.215 ASSI ( (segid " " and resid "39 " and name "HG12") )( (segid " " and resid "38 " and name "HA ") ) 6.000 6.000 0.000 peak 3112 weight 0.10000E+01 volume 0.14000E+00 ppm1 1.263 ppm2 4.631 ASSI ( (segid " " and resid "19 " and name "HG12") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 3.300 3.300 0.000 peak 2554 weight 0.10000E+01 volume 0.21150E+01 ppm1 0.529 ppm2 1.394 ASSI ( (segid " " and resid "19 " and name "HG12") )( (segid " " and resid "20 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2221 weight 0.10000E+01 volume 0.21600E+00 ppm1 0.527 ppm2 3.607 ASSI ( (segid " " and resid "19 " and name "HG12") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 2223 weight 0.10000E+01 volume 0.37700E+00 ppm1 0.527 ppm2 5.312 ASSI ( (segid " " and resid "19 " and name "HG11") )( (segid " " and resid "20 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2208 weight 0.10000E+01 volume 0.17800E+00 ppm1 1.459 ppm2 3.611 ASSI ( (segid " " and resid "19 " and name "HG11") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 2210 weight 0.10000E+01 volume 0.49900E+00 ppm1 1.456 ppm2 5.317 ASSI ( (segid " " and resid "19 " and name "HG11") )( (segid " " and resid "57 " and name "HH2 ") ) 6.000 6.000 0.000 peak 2211 weight 0.10000E+01 volume 0.21800E+00 ppm1 1.455 ppm2 6.579 ASSI ( (segid " " and resid "19 " and name "HG11") )( (segid " " and resid "20 " and name "HD2 ") ) 6.000 6.000 0.000 peak 2207 weight 0.10000E+01 volume 0.10900E+00 ppm1 1.457 ppm2 3.446 ASSI ( (segid " " and resid "19 " and name "HG12") )( (segid " " and resid "20 " and name "HD2 ") ) 6.000 6.000 0.000 peak 2220 weight 0.10000E+01 volume 0.15000E+00 ppm1 0.526 ppm2 3.445 ASSI ( (segid " " and resid "19 " and name "HG12") )( (segid " " and resid "57 " and name "HZ3 ") ) 6.000 6.000 0.000 peak 2225 weight 0.10000E+01 volume 0.10200E+00 ppm1 0.530 ppm2 6.667 ASSI ( (segid " " and resid "19 " and name "HG11") )( (segid " " and resid "57 " and name "HZ3 ") ) 6.000 6.000 0.000 peak 2212 weight 0.10000E+01 volume 0.15300E+00 ppm1 1.456 ppm2 6.669 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3737 weight 0.10000E+01 volume 0.13200E+00 ppm1 1.793 ppm2 3.194 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 3729 weight 0.10000E+01 volume 0.16900E+00 ppm1 1.797 ppm2 0.222 ASSI ( (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 3730 weight 0.10000E+01 volume 0.70500E+00 ppm1 1.799 ppm2 0.681 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") OR (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3732 weight 0.10000E+01 volume 0.49900E+00 ppm1 1.799 ppm2 1.364 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "38 " and name "HA ") ) 5.000 5.000 0.000 peak 3741 weight 0.10000E+01 volume 0.32800E+00 ppm1 1.795 ppm2 4.637 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "52 " and name "HA ") ) 5.000 5.000 0.000 peak 3742 weight 0.10000E+01 volume 0.49800E+00 ppm1 1.796 ppm2 4.773 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "54 " and name "HN ") ) 5.000 5.000 0.000 peak 3743 weight 0.10000E+01 volume 0.51500E+00 ppm1 1.797 ppm2 8.203 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "39 " and name "HN ") ) 6.000 6.000 0.000 peak 3744 weight 0.10000E+01 volume 0.18000E+00 ppm1 1.797 ppm2 9.027 ASSI ( (segid " " and resid "40 " and name "HG12") )( (segid " " and resid "40 " and name "HN ") ) 5.000 5.000 0.000 peak 3148 weight 0.10000E+01 volume 0.63700E+00 ppm1 1.236 ppm2 9.349 ASSI ( (segid " " and resid "40 " and name "HG12") )( (segid " " and resid "30 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3144 weight 0.10000E+01 volume 0.25400E+00 ppm1 1.235 ppm2 2.828 ASSI ( (segid " " and resid "40 " and name "HG12") )( (segid " " and resid "30 " and name "HN ") OR (segid " " and resid "28 " and name "HN ") ) 6.000 6.000 0.000 peak 3149 weight 0.10000E+01 volume 0.23100E+00 ppm1 1.239 ppm2 8.689 ASSI ( (segid " " and resid "40 " and name "HG12") )( (segid " " and resid "30 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3145 weight 0.10000E+01 volume 0.27300E+00 ppm1 1.234 ppm2 2.706 ASSI ( (segid " " and resid "40 " and name "HG12") )( (segid " " and resid "40 " and name "HA ") ) 6.000 6.000 0.000 peak 3146 weight 0.10000E+01 volume 0.27000E+00 ppm1 1.234 ppm2 4.920 ASSI ( (segid " " and resid "40 " and name "HG11") )( (segid " " and resid "30 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3131 weight 0.10000E+01 volume 0.25700E+00 ppm1 1.371 ppm2 2.713 ASSI ( (segid " " and resid "40 " and name "HG11") )( (segid " " and resid "30 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3132 weight 0.10000E+01 volume 0.22200E+00 ppm1 1.371 ppm2 2.836 ASSI ( (segid " " and resid "40 " and name "HG11") )( (segid " " and resid "39 " and name "HA ") OR (segid " " and resid "29 " and name "HA ") ) 6.000 6.000 0.000 peak 3133 weight 0.10000E+01 volume 0.19400E+00 ppm1 1.372 ppm2 4.497 ASSI ( (segid " " and resid "40 " and name "HG11") )( (segid " " and resid "40 " and name "HN ") ) 5.000 5.000 0.000 peak 3137 weight 0.10000E+01 volume 0.53600E+00 ppm1 1.372 ppm2 9.346 ASSI ( (segid " " and resid "48 " and name "HG ") )( (segid " " and resid "49 " and name "HN ") OR (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 3549 weight 0.10000E+01 volume 0.19200E+00 ppm1 1.561 ppm2 8.970 ASSI ( (segid " " and resid "40 " and name "HG11") )( (segid " " and resid "30 " and name "HN ") OR (segid " " and resid "28 " and name "HN ") ) 6.000 6.000 0.000 peak 3136 weight 0.10000E+01 volume 0.19300E+00 ppm1 1.372 ppm2 8.688 ASSI ( (segid " " and resid "48 " and name "HG ") )( (segid " " and resid "48 " and name "HN ") ) 5.000 5.000 0.000 peak 3548 weight 0.10000E+01 volume 0.11060E+01 ppm1 1.555 ppm2 7.851 ASSI ( (segid " " and resid "72 " and name "HG ") )( (segid " " and resid "73 " and name "HN ") OR (segid " " and resid "72 " and name "HN ") ) 5.000 5.000 0.000 peak 4408 weight 0.10000E+01 volume 0.12110E+01 ppm1 1.710 ppm2 7.842 ASSI ( (segid " " and resid "37 " and name "HG2 ") OR (segid " " and resid "37 " and name "HG1 ") )( (segid " " and resid "36 " and name "HA ") OR (segid " " and resid "32 " and name "HA ") ) 6.000 6.000 0.000 peak 2991 weight 0.10000E+01 volume 0.16000E+00 ppm1 1.540 ppm2 4.052 ASSI ( (segid " " and resid "37 " and name "HG2 ") OR (segid " " and resid "37 " and name "HG1 ") )( (segid " " and resid "37 " and name "HN ") ) 5.000 5.000 0.000 peak 2992 weight 0.10000E+01 volume 0.57900E+00 ppm1 1.540 ppm2 8.297 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") OR (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 5.000 5.000 0.000 peak 2517 weight 0.10000E+01 volume 0.30600E+00 ppm1 0.991 ppm2 0.241 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 2.700 2.700 0.000 peak 2336 weight 0.10000E+01 volume 0.45110E+01 ppm1 0.994 ppm2 0.745 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "24 " and name "HB2 ") ) 3.300 3.300 0.000 peak 1874 weight 0.10000E+01 volume 0.22440E+01 ppm1 0.993 ppm2 1.317 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "58 " and name "HA ") OR (segid " " and resid "27 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2524 weight 0.10000E+01 volume 0.19200E+00 ppm1 0.988 ppm2 2.560 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "21 " and name "HA ") ) 3.300 3.300 0.000 peak 2525 weight 0.10000E+01 volume 0.21710E+01 ppm1 0.990 ppm2 3.683 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "61 " and name "HA ") ) 6.000 6.000 0.000 peak 2526 weight 0.10000E+01 volume 0.26700E+00 ppm1 0.990 ppm2 4.016 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "23 " and name "HA ") OR (segid " " and resid "20 " and name "HA ") OR (segid " " and resid "19 " and name "HA ") ) 6.000 6.000 0.000 peak 2527 weight 0.10000E+01 volume 0.17200E+00 ppm1 0.990 ppm2 4.152 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "41 " and name "HA ") ) 6.000 6.000 0.000 peak 2529 weight 0.10000E+01 volume 0.87000E-01 ppm1 0.990 ppm2 4.982 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "19 " and name "HN ") ) 6.000 6.000 0.000 peak 2530 weight 0.10000E+01 volume 0.11000E+00 ppm1 0.990 ppm2 5.309 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "57 " and name "HE3 ") ) 6.000 6.000 0.000 peak 2534 weight 0.10000E+01 volume 0.18200E+00 ppm1 0.990 ppm2 7.330 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "24 " and name "HN ") ) 5.000 5.000 0.000 peak 2533 weight 0.10000E+01 volume 0.62800E+00 ppm1 0.991 ppm2 7.700 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "61 " and name "HN ") OR (segid " " and resid "21 " and name "HN ") ) 6.000 6.000 0.000 peak 2535 weight 0.10000E+01 volume 0.24400E+00 ppm1 0.991 ppm2 8.054 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "65 " and name "HN ") OR (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 2536 weight 0.10000E+01 volume 0.84000E-01 ppm1 0.990 ppm2 8.539 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "25 " and name "HN ") ) 6.000 6.000 0.000 peak 2537 weight 0.10000E+01 volume 0.66000E-01 ppm1 0.991 ppm2 8.822 ASSI ( (segid " " and resid "23 " and name "HG ") )( (segid " " and resid "20 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3396 weight 0.10000E+01 volume 0.43500E+00 ppm1 1.616 ppm2 2.276 ASSI ( (segid " " and resid "23 " and name "HG ") )( (segid " " and resid "20 " and name "HD2 ") ) 6.000 6.000 0.000 peak 3246 weight 0.10000E+01 volume 0.17200E+00 ppm1 1.615 ppm2 3.444 ASSI ( (segid " " and resid "23 " and name "HG ") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2446 weight 0.10000E+01 volume 0.12510E+01 ppm1 1.616 ppm2 7.731 ASSI ( (segid " " and resid "23 " and name "HG ") )( (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2447 weight 0.10000E+01 volume 0.15300E+00 ppm1 1.613 ppm2 8.434 ASSI ( (segid " " and resid "23 " and name "HG ") )( (segid " " and resid "20 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3247 weight 0.10000E+01 volume 0.14800E+00 ppm1 1.614 ppm2 3.610 ASSI ( (segid " " and resid "47 " and name "HG1 ") )( (segid " " and resid "45 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2682 weight 0.10000E+01 volume 0.33400E+00 ppm1 1.545 ppm2 2.315 ASSI ( (segid " " and resid "47 " and name "HG2 ") )( (segid " " and resid "47 " and name "HE ") OR (segid " " and resid "47 " and name "HN ") ) 5.000 5.000 0.000 peak 3508 weight 0.10000E+01 volume 0.56400E+00 ppm1 1.395 ppm2 7.075 ASSI ( (segid " " and resid "47 " and name "HG1 ") )( (segid " " and resid "47 " and name "HE ") ) 5.000 5.000 0.000 peak 3501 weight 0.10000E+01 volume 0.51200E+00 ppm1 1.546 ppm2 7.076 ASSI ( (segid " " and resid "47 " and name "HG1 ") )( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") ) 5.000 5.000 0.000 peak 3502 weight 0.10000E+01 volume 0.40400E+00 ppm1 1.550 ppm2 7.206 ASSI ( (segid " " and resid "47 " and name "HG1 ") )( (segid " " and resid "48 " and name "HN ") ) 5.000 5.000 0.000 peak 3503 weight 0.10000E+01 volume 0.38900E+00 ppm1 1.552 ppm2 7.856 ASSI ( (segid " " and resid "47 " and name "HG2 ") )( (segid " " and resid "48 " and name "HN ") ) 6.000 6.000 0.000 peak 3510 weight 0.10000E+01 volume 0.23600E+00 ppm1 1.390 ppm2 7.863 ASSI ( (segid " " and resid "20 " and name "HG1 ") )( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") OR (segid " " and resid "19 " and name "HB ") ) 6.000 6.000 0.000 peak 2304 weight 0.10000E+01 volume 0.14300E+00 ppm1 1.976 ppm2 1.334 ASSI ( (segid " " and resid "20 " and name "HG1 ") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 5.000 5.000 0.000 peak 2302 weight 0.10000E+01 volume 0.34000E+00 ppm1 1.978 ppm2 0.754 ASSI ( (segid " " and resid "20 " and name "HG1 ") )( (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2312 weight 0.10000E+01 volume 0.11400E+00 ppm1 1.976 ppm2 7.739 ASSI ( (segid " " and resid "20 " and name "HG2 ") )( (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2322 weight 0.10000E+01 volume 0.10600E+00 ppm1 1.802 ppm2 7.742 ASSI ( (segid " " and resid "67 " and name "HG1 ") )( (segid " " and resid "67 " and name "HN ") ) 5.000 5.000 0.000 peak 2321 weight 0.10000E+01 volume 0.88500E+00 ppm1 1.804 ppm2 7.920 ASSI ( (segid " " and resid "20 " and name "HG2 ") )( (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2323 weight 0.10000E+01 volume 0.13800E+00 ppm1 1.800 ppm2 8.427 ASSI ( (segid " " and resid "20 " and name "HG1 ") )( (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2313 weight 0.10000E+01 volume 0.10200E+00 ppm1 1.977 ppm2 8.436 ASSI ( (segid " " and resid "67 " and name "HG2 ") )( (segid " " and resid "67 " and name "HN ") ) 5.000 5.000 0.000 peak 4360 weight 0.10000E+01 volume 0.70500E+00 ppm1 1.637 ppm2 7.921 ASSI ( (segid " " and resid "47 " and name "HG2 ") )( (segid " " and resid "45 " and name "HG2 ") OR (segid " " and resid "45 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2681 weight 0.10000E+01 volume 0.18900E+00 ppm1 1.391 ppm2 2.312 ASSI ( (segid " " and resid "56 " and name "HB2 ") )( (segid " " and resid "56 " and name "HE21") ) 6.000 6.000 0.000 peak 3880 weight 0.10000E+01 volume 0.16300E+00 ppm1 2.256 ppm2 7.915 ASSI ( (segid " " and resid "56 " and name "HB1 ") )( (segid " " and resid "55 " and name "HA ") ) 5.000 5.000 0.000 peak 3885 weight 0.10000E+01 volume 0.30800E+00 ppm1 2.132 ppm2 4.151 ASSI ( (segid " " and resid "56 " and name "HB2 ") )( (segid " " and resid "55 " and name "HA ") ) 6.000 6.000 0.000 peak 3879 weight 0.10000E+01 volume 0.24900E+00 ppm1 2.257 ppm2 4.156 ASSI ( (segid " " and resid "56 " and name "HB1 ") )( (segid " " and resid "56 " and name "HE21") ) 6.000 6.000 0.000 peak 3886 weight 0.10000E+01 volume 0.22400E+00 ppm1 2.133 ppm2 7.917 ASSI ( (segid " " and resid "56 " and name "HB2 ") )( (segid " " and resid "56 " and name "HN ") ) 5.000 5.000 0.000 peak 3881 weight 0.10000E+01 volume 0.92500E+00 ppm1 2.257 ppm2 9.006 ASSI ( (segid " " and resid "56 " and name "HB1 ") )( (segid " " and resid "56 " and name "HN ") ) 5.000 5.000 0.000 peak 3887 weight 0.10000E+01 volume 0.13900E+01 ppm1 2.134 ppm2 9.010 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "64 " and name "HN ") ) 6.000 6.000 0.000 peak 4306 weight 0.10000E+01 volume 0.12100E+00 ppm1 1.863 ppm2 8.127 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 6.000 6.000 0.000 peak 3121 weight 0.10000E+01 volume 0.20900E+00 ppm1 1.873 ppm2 0.994 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3130 weight 0.10000E+01 volume 0.10800E+00 ppm1 1.874 ppm2 1.443 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "64 " and name "HB1 ") OR (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 4299 weight 0.10000E+01 volume 0.42300E+00 ppm1 1.865 ppm2 3.360 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4302 weight 0.10000E+01 volume 0.20800E+00 ppm1 1.867 ppm2 6.710 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 6.000 6.000 0.000 peak 4303 weight 0.10000E+01 volume 0.11100E+00 ppm1 1.862 ppm2 6.823 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "65 " and name "HN ") ) 5.000 5.000 0.000 peak 4305 weight 0.10000E+01 volume 0.10120E+01 ppm1 1.865 ppm2 8.527 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "66 " and name "HN ") ) 6.000 6.000 0.000 peak 4304 weight 0.10000E+01 volume 0.16900E+00 ppm1 1.865 ppm2 8.910 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "49 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3254 weight 0.10000E+01 volume 0.12900E+00 ppm1 0.845 ppm2 3.107 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") OR (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 5.000 5.000 0.000 peak 3244 weight 0.10000E+01 volume 0.13960E+01 ppm1 0.845 ppm2 0.242 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") OR (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 3.300 3.300 0.000 peak 2479 weight 0.10000E+01 volume 0.19700E+01 ppm1 0.846 ppm2 1.398 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "58 " and name "HA ") OR (segid " " and resid "49 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3253 weight 0.10000E+01 volume 0.55000E+00 ppm1 0.843 ppm2 2.563 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "51 " and name "HA ") ) 6.000 6.000 0.000 peak 3255 weight 0.10000E+01 volume 0.13300E+00 ppm1 0.845 ppm2 4.851 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "19 " and name "HN ") ) 6.000 6.000 0.000 peak 3257 weight 0.10000E+01 volume 0.14100E+00 ppm1 0.844 ppm2 5.308 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "57 " and name "HZ3 ") ) 5.000 5.000 0.000 peak 3258 weight 0.10000E+01 volume 0.13470E+01 ppm1 0.843 ppm2 6.675 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3260 weight 0.10000E+01 volume 0.11300E+00 ppm1 0.847 ppm2 7.155 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "57 " and name "HZ2 ") ) 5.000 5.000 0.000 peak 3261 weight 0.10000E+01 volume 0.47800E+00 ppm1 0.844 ppm2 7.326 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "41 " and name "HN ") ) 6.000 6.000 0.000 peak 3262 weight 0.10000E+01 volume 0.21100E+00 ppm1 0.843 ppm2 9.412 ASSI ( (segid " " and resid "45 " and name "HB2 ") )( (segid " " and resid "46 " and name "HN ") ) 6.000 6.000 0.000 peak 3445 weight 0.10000E+01 volume 0.22200E+00 ppm1 1.790 ppm2 8.396 ASSI ( (segid " " and resid "56 " and name "HB2 ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 3432 weight 0.10000E+01 volume 0.23500E+00 ppm1 2.304 ppm2 6.164 ASSI ( (segid " " and resid "45 " and name "HB2 ") )( (segid " " and resid "47 " and name "HA ") OR (segid " " and resid "46 " and name "HA ") ) 6.000 6.000 0.000 peak 3441 weight 0.10000E+01 volume 0.13300E+00 ppm1 1.791 ppm2 4.397 ASSI ( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") )( (segid " " and resid "23 " and name "HA ") ) 5.000 5.000 0.000 peak 2834 weight 0.10000E+01 volume 0.80900E+00 ppm1 1.576 ppm2 4.251 ASSI ( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 1885 weight 0.10000E+01 volume 0.20700E+00 ppm1 1.580 ppm2 4.860 ASSI ( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") )( (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 3420 weight 0.10000E+01 volume 0.17000E+00 ppm1 1.577 ppm2 5.457 ASSI ( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") )( (segid " " and resid "45 " and name "HN ") ) 5.000 5.000 0.000 peak 3421 weight 0.10000E+01 volume 0.33300E+00 ppm1 1.578 ppm2 7.410 ASSI ( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") )( (segid " " and resid "44 " and name "HN ") ) 5.000 5.000 0.000 peak 3422 weight 0.10000E+01 volume 0.11250E+01 ppm1 1.580 ppm2 8.651 ASSI ( (segid " " and resid "45 " and name "HB1 ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 6.000 6.000 0.000 peak 3425 weight 0.10000E+01 volume 0.16300E+00 ppm1 2.308 ppm2 1.387 ASSI ( (segid " " and resid "45 " and name "HB1 ") )( (segid " " and resid "47 " and name "HN ") ) 6.000 6.000 0.000 peak 3433 weight 0.10000E+01 volume 0.12300E+00 ppm1 2.307 ppm2 7.071 ASSI ( (segid " " and resid "45 " and name "HB2 ") )( (segid " " and resid "47 " and name "HN ") ) 6.000 6.000 0.000 peak 3443 weight 0.10000E+01 volume 0.19500E+00 ppm1 1.785 ppm2 7.076 ASSI ( (segid " " and resid "45 " and name "HB2 ") )( (segid " " and resid "45 " and name "HN ") ) 5.000 5.000 0.000 peak 3444 weight 0.10000E+01 volume 0.11010E+01 ppm1 1.789 ppm2 7.409 ASSI ( (segid " " and resid "45 " and name "HB1 ") )( (segid " " and resid "45 " and name "HN ") ) 5.000 5.000 0.000 peak 3434 weight 0.10000E+01 volume 0.65800E+00 ppm1 2.307 ppm2 7.410 ASSI ( (segid " " and resid "45 " and name "HB1 ") )( (segid " " and resid "46 " and name "HN ") ) 6.000 6.000 0.000 peak 3435 weight 0.10000E+01 volume 0.10100E+00 ppm1 2.308 ppm2 8.390 ASSI ( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") )( (segid " " and resid "25 " and name "HA ") OR (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 3419 weight 0.10000E+01 volume 0.90000E-01 ppm1 1.578 ppm2 4.684 ASSI ( (segid " " and resid "56 " and name "HB2 ") OR (segid " " and resid "45 " and name "HB1 ") )( (segid " " and resid "57 " and name "HB1 ") OR (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") ) 6.000 6.000 0.000 peak 1729 weight 0.10000E+01 volume 0.12700E+00 ppm1 2.302 ppm2 3.186 ASSI ( (segid " " and resid "10 " and name "HG12") )( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") ) 2.700 2.700 0.000 peak 6652 weight 0.10000E+01 volume 0.55810E+01 ppm1 0.830 ppm2 0.751 ASSI ( (segid " " and resid "10 " and name "HG11") )( (segid " " and resid "48 " and name "HB1 ") OR (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") ) 6.000 6.000 0.000 peak 2880 weight 0.10000E+01 volume 0.27300E+00 ppm1 1.452 ppm2 0.984 ASSI ( (segid " " and resid "10 " and name "HG11") )( (segid " " and resid "11 " and name "HA ") ) 6.000 6.000 0.000 peak 1824 weight 0.10000E+01 volume 0.79000E-01 ppm1 1.451 ppm2 4.477 ASSI ( (segid " " and resid "10 " and name "HG11") )( (segid " " and resid "10 " and name "HN ") ) 6.000 6.000 0.000 peak 1825 weight 0.10000E+01 volume 0.18400E+00 ppm1 1.449 ppm2 7.689 ASSI ( (segid " " and resid "10 " and name "HG12") )( (segid " " and resid "10 " and name "HN ") ) 6.000 6.000 0.000 peak 1830 weight 0.10000E+01 volume 0.14100E+00 ppm1 0.826 ppm2 7.694 ASSI ( (segid " " and resid "10 " and name "HG12") )( (segid " " and resid "11 " and name "HN ") ) 5.000 5.000 0.000 peak 1831 weight 0.10000E+01 volume 0.80000E+00 ppm1 0.828 ppm2 8.199 ASSI ( (segid " " and resid "10 " and name "HG11") )( (segid " " and resid "11 " and name "HN ") ) 5.000 5.000 0.000 peak 1826 weight 0.10000E+01 volume 0.94200E+00 ppm1 1.453 ppm2 8.200 ASSI ( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") )( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4214 weight 0.10000E+01 volume 0.38600E+00 ppm1 2.124 ppm2 2.687 ASSI ( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") )( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4218 weight 0.10000E+01 volume 0.79000E-01 ppm1 2.129 ppm2 3.151 ASSI ( (segid " " and resid "63 " and name "HB2 ") )( (segid " " and resid "59 " and name "HA ") ) 6.000 6.000 0.000 peak 4220 weight 0.10000E+01 volume 0.10400E+00 ppm1 2.130 ppm2 3.789 ASSI ( (segid " " and resid "63 " and name "HB1 ") )( (segid " " and resid "64 " and name "HA ") ) 6.000 6.000 0.000 peak 4223 weight 0.10000E+01 volume 0.29400E+00 ppm1 2.128 ppm2 4.184 ASSI ( (segid " " and resid "63 " and name "HB2 ") )( (segid " " and resid "63 " and name "HN ") ) 3.300 3.300 0.000 peak 4224 weight 0.10000E+01 volume 0.25670E+01 ppm1 2.128 ppm2 7.715 ASSI ( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") )( (segid " " and resid "64 " and name "HN ") ) 5.000 5.000 0.000 peak 4225 weight 0.10000E+01 volume 0.11310E+01 ppm1 2.124 ppm2 8.133 ASSI ( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") )( (segid " " and resid "62 " and name "HN ") ) 6.000 6.000 0.000 peak 4226 weight 0.10000E+01 volume 0.24900E+00 ppm1 2.133 ppm2 8.255 ASSI ( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") )( (segid " " and resid "64 " and name "HB1 ") OR (segid " " and resid "62 " and name "HA ") ) 6.000 6.000 0.000 peak 4219 weight 0.10000E+01 volume 0.25700E+00 ppm1 2.127 ppm2 3.342 ASSI ( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") )( (segid " " and resid "66 " and name "HB2 ") ) 6.000 6.000 0.000 peak 4213 weight 0.10000E+01 volume 0.14800E+00 ppm1 2.127 ppm2 2.893 ASSI ( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") )( (segid " " and resid "65 " and name "HN ") ) 6.000 6.000 0.000 peak 4227 weight 0.10000E+01 volume 0.13300E+00 ppm1 2.132 ppm2 8.526 ASSI ( (segid " " and resid "54 " and name "HD2 ") OR (segid " " and resid "54 " and name "HD1 ") )( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") ) 6.000 6.000 0.000 peak 3786 weight 0.10000E+01 volume 0.12900E+00 ppm1 1.631 ppm2 2.807 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "65 " and name "HN ") ) 5.000 5.000 0.000 peak 4247 weight 0.10000E+01 volume 0.69800E+00 ppm1 3.355 ppm2 8.528 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "64 " and name "HN ") ) 5.000 5.000 0.000 peak 4257 weight 0.10000E+01 volume 0.14130E+01 ppm1 3.281 ppm2 8.135 ASSI ( (segid " " and resid "54 " and name "HD2 ") OR (segid " " and resid "54 " and name "HD1 ") )( (segid " " and resid "54 " and name "HN ") ) 6.000 6.000 0.000 peak 3788 weight 0.10000E+01 volume 0.28600E+00 ppm1 1.629 ppm2 8.201 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "64 " and name "HN ") ) 3.300 3.300 0.000 peak 4248 weight 0.10000E+01 volume 0.16450E+01 ppm1 3.355 ppm2 8.134 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "65 " and name "HG ") OR (segid " " and resid "21 " and name "HB ") ) 6.000 6.000 0.000 peak 4241 weight 0.10000E+01 volume 0.24200E+00 ppm1 3.355 ppm2 1.889 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "65 " and name "HN ") ) 5.000 5.000 0.000 peak 4258 weight 0.10000E+01 volume 0.51400E+00 ppm1 3.287 ppm2 8.528 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "65 " and name "HG ") ) 6.000 6.000 0.000 peak 4252 weight 0.10000E+01 volume 0.22700E+00 ppm1 3.287 ppm2 1.885 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 5.000 5.000 0.000 peak 4238 weight 0.10000E+01 volume 0.34000E+00 ppm1 3.358 ppm2 0.724 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "61 " and name "HA ") ) 5.000 5.000 0.000 peak 4254 weight 0.10000E+01 volume 0.81900E+00 ppm1 3.285 ppm2 4.017 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4240 weight 0.10000E+01 volume 0.20200E+00 ppm1 3.355 ppm2 1.425 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 5.000 5.000 0.000 peak 4249 weight 0.10000E+01 volume 0.30900E+00 ppm1 3.286 ppm2 0.726 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "65 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4253 weight 0.10000E+01 volume 0.15100E+00 ppm1 3.287 ppm2 2.125 ASSI ( (segid " " and resid "68 " and name "HB2 ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 5.000 5.000 0.000 peak 4374 weight 0.10000E+01 volume 0.30000E+00 ppm1 2.031 ppm2 0.754 ASSI ( (segid " " and resid "68 " and name "HB1 ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 6.000 6.000 0.000 peak 4371 weight 0.10000E+01 volume 0.22000E+00 ppm1 2.117 ppm2 0.757 ASSI ( (segid " " and resid "68 " and name "HB2 ") )( (segid " " and resid "69 " and name "HN ") OR (segid " " and resid "68 " and name "HN ") ) 3.300 3.300 0.000 peak 4376 weight 0.10000E+01 volume 0.20290E+01 ppm1 2.031 ppm2 7.904 ASSI ( (segid " " and resid "68 " and name "HB1 ") )( (segid " " and resid "69 " and name "HN ") OR (segid " " and resid "68 " and name "HN ") ) 3.300 3.300 0.000 peak 4373 weight 0.10000E+01 volume 0.19000E+01 ppm1 2.118 ppm2 7.906 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "61 " and name "HA ") ) 5.000 5.000 0.000 peak 4243 weight 0.10000E+01 volume 0.92100E+00 ppm1 3.355 ppm2 4.022 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "65 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4242 weight 0.10000E+01 volume 0.22600E+00 ppm1 3.355 ppm2 2.130 ASSI ( (segid " " and resid "14 " and name "HD2 ") OR (segid " " and resid "14 " and name "HD1 ") )( (segid " " and resid "15 " and name "HN ") ) 6.000 6.000 0.000 peak 1979 weight 0.10000E+01 volume 0.96000E-01 ppm1 1.693 ppm2 8.815 ASSI ( (segid " " and resid "14 " and name "HD2 ") OR (segid " " and resid "14 " and name "HD1 ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 5.000 5.000 0.000 peak 6714 weight 0.10000E+01 volume 0.10350E+01 ppm1 1.702 ppm2 1.922 ASSI ( (segid " " and resid "29 " and name "HB2 ") )( (segid " " and resid "30 " and name "HN ") ) 5.000 5.000 0.000 peak 2767 weight 0.10000E+01 volume 0.39900E+00 ppm1 1.987 ppm2 8.684 ASSI ( (segid " " and resid "29 " and name "HB2 ") )( (segid " " and resid "29 " and name "HN ") ) 5.000 5.000 0.000 peak 2768 weight 0.10000E+01 volume 0.11290E+01 ppm1 1.993 ppm2 9.083 ASSI ( (segid " " and resid "29 " and name "HB1 ") )( (segid " " and resid "30 " and name "HN ") ) 5.000 5.000 0.000 peak 2763 weight 0.10000E+01 volume 0.40200E+00 ppm1 2.165 ppm2 8.682 ASSI ( (segid " " and resid "29 " and name "HB2 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 2764 weight 0.10000E+01 volume 0.39200E+00 ppm1 1.992 ppm2 0.689 ASSI ( (segid " " and resid "29 " and name "HB1 ") )( (segid " " and resid "29 " and name "HN ") ) 5.000 5.000 0.000 peak 2762 weight 0.10000E+01 volume 0.99500E+00 ppm1 2.158 ppm2 9.081 ASSI ( (segid " " and resid "36 " and name "HD2 ") OR (segid " " and resid "36 " and name "HD1 ") )( (segid " " and resid "36 " and name "HN ") ) 6.000 6.000 0.000 peak 2973 weight 0.10000E+01 volume 0.14200E+00 ppm1 1.573 ppm2 8.029 ASSI ( (segid " " and resid "37 " and name "HB2 ") OR (segid " " and resid "37 " and name "HB1 ") )( (segid " " and resid "36 " and name "HA ") OR (segid " " and resid "32 " and name "HA ") ) 5.000 5.000 0.000 peak 2987 weight 0.10000E+01 volume 0.45500E+00 ppm1 1.719 ppm2 4.054 ASSI ( (segid " " and resid "37 " and name "HB2 ") OR (segid " " and resid "37 " and name "HB1 ") )( (segid " " and resid "38 " and name "HN ") ) 5.000 5.000 0.000 peak 2989 weight 0.10000E+01 volume 0.45400E+00 ppm1 1.719 ppm2 7.815 ASSI ( (segid " " and resid "37 " and name "HB2 ") OR (segid " " and resid "37 " and name "HB1 ") )( (segid " " and resid "37 " and name "HN ") ) 3.300 3.300 0.000 peak 2988 weight 0.10000E+01 volume 0.16730E+01 ppm1 1.719 ppm2 8.300 ASSI ( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "57 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2159 weight 0.10000E+01 volume 0.31600E+00 ppm1 1.255 ppm2 3.212 ASSI ( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "57 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2151 weight 0.10000E+01 volume 0.30300E+00 ppm1 1.291 ppm2 3.505 ASSI ( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "19 " and name "HN ") ) 6.000 6.000 0.000 peak 2161 weight 0.10000E+01 volume 0.12200E+00 ppm1 1.255 ppm2 5.312 ASSI ( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "57 " and name "HE3 ") ) 6.000 6.000 0.000 peak 2164 weight 0.10000E+01 volume 0.75000E-01 ppm1 1.271 ppm2 7.333 ASSI ( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "18 " and name "HN ") ) 6.000 6.000 0.000 peak 2162 weight 0.10000E+01 volume 0.23800E+00 ppm1 1.253 ppm2 7.497 ASSI ( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "57 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2163 weight 0.10000E+01 volume 0.10200E+00 ppm1 1.264 ppm2 7.633 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "62 " and name "HG2 ") ) 2.700 2.700 0.000 peak 4157 weight 0.10000E+01 volume 0.33300E+01 ppm1 2.024 ppm2 0.436 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG21") ) 5.000 5.000 0.000 peak 4158 weight 0.10000E+01 volume 0.70400E+00 ppm1 2.024 ppm2 0.707 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG21") ) 5.000 5.000 0.000 peak 4168 weight 0.10000E+01 volume 0.58400E+00 ppm1 0.430 ppm2 0.720 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "27 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4175 weight 0.10000E+01 volume 0.14400E+00 ppm1 0.426 ppm2 2.559 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "59 " and name "HA ") ) 6.000 6.000 0.000 peak 4161 weight 0.10000E+01 volume 0.16300E+00 ppm1 2.023 ppm2 3.789 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4162 weight 0.10000E+01 volume 0.24400E+00 ppm1 2.026 ppm2 6.705 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 6.000 6.000 0.000 peak 4163 weight 0.10000E+01 volume 0.21100E+00 ppm1 2.029 ppm2 6.820 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "63 " and name "HN ") ) 6.000 6.000 0.000 peak 4180 weight 0.10000E+01 volume 0.13500E+00 ppm1 0.424 ppm2 7.709 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "63 " and name "HN ") ) 6.000 6.000 0.000 peak 4164 weight 0.10000E+01 volume 0.23200E+00 ppm1 2.026 ppm2 7.711 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "64 " and name "HN ") OR (segid " " and resid "61 " and name "HN ") ) 6.000 6.000 0.000 peak 4165 weight 0.10000E+01 volume 0.15900E+00 ppm1 2.029 ppm2 8.082 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "62 " and name "HN ") ) 5.000 5.000 0.000 peak 4181 weight 0.10000E+01 volume 0.97800E+00 ppm1 0.430 ppm2 8.248 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "62 " and name "HN ") ) 5.000 5.000 0.000 peak 4166 weight 0.10000E+01 volume 0.14480E+01 ppm1 2.026 ppm2 8.248 ASSI ( (segid " " and resid "59 " and name "HD2 ") )( (segid " " and resid "56 " and name "HG2 ") ) 6.000 6.000 0.000 peak 4055 weight 0.10000E+01 volume 0.84000E-01 ppm1 1.401 ppm2 2.398 ASSI ( (segid " " and resid "59 " and name "HD1 ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 4045 weight 0.10000E+01 volume 0.42400E+00 ppm1 1.548 ppm2 3.607 ASSI ( (segid " " and resid "59 " and name "HD2 ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 4057 weight 0.10000E+01 volume 0.70800E+00 ppm1 1.406 ppm2 3.610 ASSI ( (segid " " and resid "59 " and name "HD2 ") )( (segid " " and resid "56 " and name "HE22") ) 6.000 6.000 0.000 peak 4059 weight 0.10000E+01 volume 0.14700E+00 ppm1 1.404 ppm2 6.947 ASSI ( (segid " " and resid "59 " and name "HD1 ") )( (segid " " and resid "56 " and name "HE22") ) 6.000 6.000 0.000 peak 4047 weight 0.10000E+01 volume 0.14100E+00 ppm1 1.549 ppm2 6.948 ASSI ( (segid " " and resid "59 " and name "HD2 ") )( (segid " " and resid "56 " and name "HE21") ) 6.000 6.000 0.000 peak 4061 weight 0.10000E+01 volume 0.10300E+00 ppm1 1.401 ppm2 7.926 ASSI ( (segid " " and resid "59 " and name "HD2 ") )( (segid " " and resid "60 " and name "HN ") ) 6.000 6.000 0.000 peak 4062 weight 0.10000E+01 volume 0.80000E-01 ppm1 1.401 ppm2 8.689 ASSI ( (segid " " and resid "59 " and name "HD1 ") )( (segid " " and resid "59 " and name "HN ") ) 6.000 6.000 0.000 peak 4048 weight 0.10000E+01 volume 0.26600E+00 ppm1 1.551 ppm2 7.294 ASSI ( (segid " " and resid "59 " and name "HD2 ") )( (segid " " and resid "59 " and name "HN ") ) 5.000 5.000 0.000 peak 4060 weight 0.10000E+01 volume 0.31200E+00 ppm1 1.403 ppm2 7.295 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "59 " and name "HA ") ) 6.000 6.000 0.000 peak 4177 weight 0.10000E+01 volume 0.11000E+00 ppm1 0.428 ppm2 3.788 ASSI ( (segid " " and resid "59 " and name "HD1 ") )( (segid " " and resid "56 " and name "HE21") ) 6.000 6.000 0.000 peak 4049 weight 0.10000E+01 volume 0.10700E+00 ppm1 1.551 ppm2 7.920 ASSI ( (segid " " and resid "59 " and name "HD1 ") )( (segid " " and resid "60 " and name "HN ") ) 6.000 6.000 0.000 peak 4050 weight 0.10000E+01 volume 0.10100E+00 ppm1 1.553 ppm2 8.691 ASSI ( (segid " " and resid "67 " and name "HB2 ") )( (segid " " and resid "67 " and name "HN ") ) 3.300 3.300 0.000 peak 4364 weight 0.10000E+01 volume 0.28670E+01 ppm1 1.874 ppm2 7.921 ASSI ( (segid " " and resid "67 " and name "HB2 ") OR (segid " " and resid "67 " and name "HB1 ") )( (segid " " and resid "66 " and name "HB2 ") ) 6.000 6.000 0.000 peak 4362 weight 0.10000E+01 volume 0.14400E+00 ppm1 1.874 ppm2 2.886 ASSI ( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") )( (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 3411 weight 0.10000E+01 volume 0.11500E+00 ppm1 1.782 ppm2 5.450 ASSI ( (segid " " and resid "44 " and name "HB1 ") )( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") ) 5.000 5.000 0.000 peak 3405 weight 0.10000E+01 volume 0.77900E+00 ppm1 1.782 ppm2 0.724 ASSI ( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") )( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") ) 6.000 6.000 0.000 peak 2832 weight 0.10000E+01 volume 0.27600E+00 ppm1 1.786 ppm2 0.830 ASSI ( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 3410 weight 0.10000E+01 volume 0.18700E+00 ppm1 1.780 ppm2 4.860 ASSI ( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") )( (segid " " and resid "45 " and name "HN ") ) 5.000 5.000 0.000 peak 3412 weight 0.10000E+01 volume 0.42300E+00 ppm1 1.785 ppm2 7.409 ASSI ( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") )( (segid " " and resid "44 " and name "HN ") ) 5.000 5.000 0.000 peak 3413 weight 0.10000E+01 volume 0.99500E+00 ppm1 1.782 ppm2 8.647 ASSI ( (segid " " and resid "31 " and name "HB1 ") )( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2818 weight 0.10000E+01 volume 0.16300E+00 ppm1 2.190 ppm2 1.419 ASSI ( (segid " " and resid "31 " and name "HB2 ") )( (segid " " and resid "31 " and name "HN ") ) 5.000 5.000 0.000 peak 2838 weight 0.10000E+01 volume 0.11280E+01 ppm1 1.980 ppm2 7.972 ASSI ( (segid " " and resid "31 " and name "HB1 ") )( (segid " " and resid "31 " and name "HN ") ) 5.000 5.000 0.000 peak 2827 weight 0.10000E+01 volume 0.73000E+00 ppm1 2.189 ppm2 7.978 ASSI ( (segid " " and resid "31 " and name "HB1 ") )( (segid " " and resid "33 " and name "HN ") ) 6.000 6.000 0.000 peak 2828 weight 0.10000E+01 volume 0.23800E+00 ppm1 2.191 ppm2 8.062 ASSI ( (segid " " and resid "31 " and name "HB1 ") )( (segid " " and resid "32 " and name "HN ") ) 5.000 5.000 0.000 peak 2829 weight 0.10000E+01 volume 0.45200E+00 ppm1 2.191 ppm2 8.755 ASSI ( (segid " " and resid "31 " and name "HB1 ") )( (segid " " and resid "34 " and name "HN ") OR (segid " " and resid "31 " and name "HE21") ) 6.000 6.000 0.000 peak 2826 weight 0.10000E+01 volume 0.11500E+00 ppm1 2.195 ppm2 7.586 ASSI ( (segid " " and resid "31 " and name "HB1 ") )( (segid " " and resid "34 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2823 weight 0.10000E+01 volume 0.92000E-01 ppm1 2.190 ppm2 2.988 ASSI ( (segid " " and resid "55 " and name "HB2 ") )( (segid " " and resid "57 " and name "HE1 ") ) 6.000 6.000 0.000 peak 3829 weight 0.10000E+01 volume 0.18200E+00 ppm1 1.786 ppm2 10.309 ASSI ( (segid " " and resid "55 " and name "HB1 ") )( (segid " " and resid "57 " and name "HE1 ") ) 6.000 6.000 0.000 peak 3816 weight 0.10000E+01 volume 0.23500E+00 ppm1 1.965 ppm2 10.309 ASSI ( (segid " " and resid "31 " and name "HB2 ") )( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") ) 3.300 3.300 0.000 peak 3807 weight 0.10000E+01 volume 0.28250E+01 ppm1 1.966 ppm2 2.461 ASSI ( (segid " " and resid "55 " and name "HB1 ") )( (segid " " and resid "58 " and name "HN ") ) 5.000 5.000 0.000 peak 3810 weight 0.10000E+01 volume 0.31900E+00 ppm1 1.964 ppm2 6.174 ASSI ( (segid " " and resid "55 " and name "HB1 ") OR (segid " " and resid "31 " and name "HB2 ") )( (segid " " and resid "55 " and name "HN ") OR (segid " " and resid "31 " and name "HE21") ) 5.000 5.000 0.000 peak 3812 weight 0.10000E+01 volume 0.11420E+01 ppm1 1.964 ppm2 7.563 ASSI ( (segid " " and resid "55 " and name "HB2 ") )( (segid " " and resid "55 " and name "HN ") ) 5.000 5.000 0.000 peak 3825 weight 0.10000E+01 volume 0.11950E+01 ppm1 1.786 ppm2 7.567 ASSI ( (segid " " and resid "55 " and name "HB1 ") )( (segid " " and resid "57 " and name "HN ") ) 5.000 5.000 0.000 peak 3814 weight 0.10000E+01 volume 0.36800E+00 ppm1 1.964 ppm2 8.947 ASSI ( (segid " " and resid "55 " and name "HB2 ") )( (segid " " and resid "57 " and name "HN ") ) 6.000 6.000 0.000 peak 3827 weight 0.10000E+01 volume 0.29100E+00 ppm1 1.788 ppm2 8.953 ASSI ( (segid " " and resid "55 " and name "HB2 ") )( (segid " " and resid "56 " and name "HN ") ) 5.000 5.000 0.000 peak 3828 weight 0.10000E+01 volume 0.30300E+00 ppm1 1.786 ppm2 9.025 ASSI ( (segid " " and resid "55 " and name "HB1 ") )( (segid " " and resid "56 " and name "HN ") ) 5.000 5.000 0.000 peak 3815 weight 0.10000E+01 volume 0.43800E+00 ppm1 1.964 ppm2 9.026 ASSI ( (segid " " and resid "55 " and name "HB1 ") OR (segid " " and resid "31 " and name "HB2 ") )( (segid " " and resid "59 " and name "HN ") OR (segid " " and resid "57 " and name "HZ2 ") OR (segid " " and resid "30 " and name "HD21") ) 6.000 6.000 0.000 peak 3811 weight 0.10000E+01 volume 0.74000E-01 ppm1 1.964 ppm2 7.293 ASSI ( (segid " " and resid "74 " and name "HB1 ") )( (segid " " and resid "74 " and name "HN ") ) 5.000 5.000 0.000 peak 4431 weight 0.10000E+01 volume 0.46000E+00 ppm1 1.846 ppm2 8.172 ASSI ( (segid " " and resid "74 " and name "HB2 ") )( (segid " " and resid "74 " and name "HN ") ) 5.000 5.000 0.000 peak 4435 weight 0.10000E+01 volume 0.56300E+00 ppm1 1.764 ppm2 8.173 ASSI ( (segid " " and resid "58 " and name "HB ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3934 weight 0.10000E+01 volume 0.17200E+00 ppm1 1.709 ppm2 1.091 ASSI ( (segid " " and resid "58 " and name "HB ") )( (segid " " and resid "53 " and name "HA ") ) 5.000 5.000 0.000 peak 3936 weight 0.10000E+01 volume 0.64100E+00 ppm1 1.707 ppm2 3.909 ASSI ( (segid " " and resid "58 " and name "HB ") )( (segid " " and resid "58 " and name "HN ") ) 3.300 3.300 0.000 peak 3937 weight 0.10000E+01 volume 0.17100E+01 ppm1 1.708 ppm2 6.173 ASSI ( (segid " " and resid "58 " and name "HB ") )( (segid " " and resid "59 " and name "HN ") ) 5.000 5.000 0.000 peak 3938 weight 0.10000E+01 volume 0.11200E+01 ppm1 1.707 ppm2 7.300 ASSI ( (segid " " and resid "58 " and name "HB ") )( (segid " " and resid "55 " and name "HN ") ) 5.000 5.000 0.000 peak 3075 weight 0.10000E+01 volume 0.52000E+00 ppm1 1.708 ppm2 7.557 ASSI ( (segid " " and resid "58 " and name "HB ") )( (segid " " and resid "60 " and name "HN ") OR (segid " " and resid "52 " and name "HN ") ) 6.000 6.000 0.000 peak 3939 weight 0.10000E+01 volume 0.13600E+00 ppm1 1.708 ppm2 8.688 ASSI ( (segid " " and resid "47 " and name "HB2 ") )( (segid " " and resid "47 " and name "HG2 ") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 2435 weight 0.10000E+01 volume 0.93500E+00 ppm1 1.613 ppm2 1.353 ASSI ( (segid " " and resid "47 " and name "HB1 ") )( (segid " " and resid "47 " and name "HG2 ") OR (segid " " and resid "43 " and name "HG22") ) 5.000 5.000 0.000 peak 2429 weight 0.10000E+01 volume 0.12930E+01 ppm1 1.715 ppm2 1.355 ASSI ( (segid " " and resid "47 " and name "HB2 ") )( (segid " " and resid "47 " and name "HN ") ) 5.000 5.000 0.000 peak 3493 weight 0.10000E+01 volume 0.71900E+00 ppm1 1.610 ppm2 7.072 ASSI ( (segid " " and resid "47 " and name "HB1 ") )( (segid " " and resid "47 " and name "HN ") ) 5.000 5.000 0.000 peak 3484 weight 0.10000E+01 volume 0.74800E+00 ppm1 1.719 ppm2 7.074 ASSI ( (segid " " and resid "47 " and name "HB2 ") )( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") ) 5.000 5.000 0.000 peak 3494 weight 0.10000E+01 volume 0.63900E+00 ppm1 1.612 ppm2 7.207 ASSI ( (segid " " and resid "47 " and name "HB1 ") )( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") ) 5.000 5.000 0.000 peak 3485 weight 0.10000E+01 volume 0.78300E+00 ppm1 1.715 ppm2 7.223 ASSI ( (segid " " and resid "47 " and name "HB1 ") )( (segid " " and resid "48 " and name "HN ") ) 5.000 5.000 0.000 peak 3486 weight 0.10000E+01 volume 0.32100E+00 ppm1 1.716 ppm2 7.855 ASSI ( (segid " " and resid "47 " and name "HB2 ") )( (segid " " and resid "48 " and name "HN ") ) 5.000 5.000 0.000 peak 3495 weight 0.10000E+01 volume 0.35600E+00 ppm1 1.612 ppm2 7.858 ASSI ( (segid " " and resid "47 " and name "HB1 ") )( (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 3487 weight 0.10000E+01 volume 0.97000E-01 ppm1 1.716 ppm2 8.951 ASSI ( (segid " " and resid "47 " and name "HB2 ") )( (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 3496 weight 0.10000E+01 volume 0.10000E+00 ppm1 1.617 ppm2 8.951 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 2369 weight 0.10000E+01 volume 0.40800E+00 ppm1 1.937 ppm2 0.994 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3177 weight 0.10000E+01 volume 0.24400E+00 ppm1 1.934 ppm2 1.339 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3176 weight 0.10000E+01 volume 0.31700E+00 ppm1 1.934 ppm2 1.424 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "61 " and name "HA ") ) 6.000 6.000 0.000 peak 3868 weight 0.10000E+01 volume 0.25700E+00 ppm1 1.936 ppm2 3.997 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "23 " and name "HA ") OR (segid " " and resid "20 " and name "HA ") ) 5.000 5.000 0.000 peak 3212 weight 0.10000E+01 volume 0.52400E+00 ppm1 1.937 ppm2 4.143 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "24 " and name "HN ") OR (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2377 weight 0.10000E+01 volume 0.12000E+00 ppm1 1.942 ppm2 7.715 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "21 " and name "HN ") ) 3.300 3.300 0.000 peak 2378 weight 0.10000E+01 volume 0.17510E+01 ppm1 1.940 ppm2 8.046 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2379 weight 0.10000E+01 volume 0.43800E+00 ppm1 1.939 ppm2 8.434 ASSI ( (segid " " and resid "59 " and name "HB1 ") )( (segid " " and resid "56 " and name "HE22") ) 6.000 6.000 0.000 peak 4007 weight 0.10000E+01 volume 0.18700E+00 ppm1 1.783 ppm2 6.952 ASSI ( (segid " " and resid "59 " and name "HB1 ") )( (segid " " and resid "59 " and name "HN ") ) 5.000 5.000 0.000 peak 4008 weight 0.10000E+01 volume 0.75300E+00 ppm1 1.782 ppm2 7.298 ASSI ( (segid " " and resid "59 " and name "HB1 ") )( (segid " " and resid "56 " and name "HE21") ) 6.000 6.000 0.000 peak 4009 weight 0.10000E+01 volume 0.21900E+00 ppm1 1.781 ppm2 7.920 ASSI ( (segid " " and resid "59 " and name "HB1 ") )( (segid " " and resid "60 " and name "HN ") ) 5.000 5.000 0.000 peak 4010 weight 0.10000E+01 volume 0.57600E+00 ppm1 1.784 ppm2 8.689 ASSI ( (segid " " and resid "59 " and name "HB1 ") OR (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "56 " and name "HA ") OR (segid " " and resid "20 " and name "HD1 ") ) 5.000 5.000 0.000 peak 8101 weight 0.10000E+01 volume 0.11840E+01 ppm1 1.779 ppm2 3.612 ASSI ( (segid " " and resid "59 " and name "HB2 ") OR (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "56 " and name "HA ") OR (segid " " and resid "20 " and name "HD1 ") ) 5.000 5.000 0.000 peak 8109 weight 0.10000E+01 volume 0.10200E+01 ppm1 1.713 ppm2 3.614 ASSI ( (segid " " and resid "59 " and name "HB2 ") )( (segid " " and resid "56 " and name "HE22") ) 6.000 6.000 0.000 peak 4016 weight 0.10000E+01 volume 0.25000E+00 ppm1 1.714 ppm2 6.949 ASSI ( (segid " " and resid "59 " and name "HB2 ") )( (segid " " and resid "59 " and name "HN ") ) 5.000 5.000 0.000 peak 4018 weight 0.10000E+01 volume 0.11570E+01 ppm1 1.714 ppm2 7.297 ASSI ( (segid " " and resid "59 " and name "HB2 ") )( (segid " " and resid "56 " and name "HE21") ) 6.000 6.000 0.000 peak 4019 weight 0.10000E+01 volume 0.29300E+00 ppm1 1.713 ppm2 7.917 ASSI ( (segid " " and resid "59 " and name "HB2 ") )( (segid " " and resid "60 " and name "HN ") ) 5.000 5.000 0.000 peak 4020 weight 0.10000E+01 volume 0.83100E+00 ppm1 1.714 ppm2 8.687 ASSI ( (segid " " and resid "53 " and name "HB1 ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 3712 weight 0.10000E+01 volume 0.22400E+00 ppm1 2.005 ppm2 0.218 ASSI ( (segid " " and resid "53 " and name "HB2 ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 3721 weight 0.10000E+01 volume 0.30000E+00 ppm1 1.885 ppm2 0.221 ASSI ( (segid " " and resid "53 " and name "HB2 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 3722 weight 0.10000E+01 volume 0.57000E+00 ppm1 1.884 ppm2 0.680 ASSI ( (segid " " and resid "53 " and name "HB1 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 3052 weight 0.10000E+01 volume 0.56600E+00 ppm1 2.007 ppm2 0.684 ASSI ( (segid " " and resid "53 " and name "HB2 ") )( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") ) 5.000 5.000 0.000 peak 3053 weight 0.10000E+01 volume 0.70900E+00 ppm1 1.883 ppm2 1.272 ASSI ( (segid " " and resid "53 " and name "HB2 ") )( (segid " " and resid "52 " and name "HA ") ) 6.000 6.000 0.000 peak 3727 weight 0.10000E+01 volume 0.12700E+00 ppm1 1.884 ppm2 4.776 ASSI ( (segid " " and resid "53 " and name "HB2 ") )( (segid " " and resid "54 " and name "HN ") ) 6.000 6.000 0.000 peak 3728 weight 0.10000E+01 volume 0.23200E+00 ppm1 1.883 ppm2 8.199 ASSI ( (segid " " and resid "53 " and name "HB1 ") )( (segid " " and resid "52 " and name "HA ") ) 6.000 6.000 0.000 peak 3719 weight 0.10000E+01 volume 0.79000E-01 ppm1 2.005 ppm2 4.782 ASSI ( (segid " " and resid "53 " and name "HB1 ") )( (segid " " and resid "54 " and name "HN ") ) 6.000 6.000 0.000 peak 3720 weight 0.10000E+01 volume 0.14100E+00 ppm1 2.001 ppm2 8.200 ASSI ( (segid " " and resid "20 " and name "HB1 ") )( (segid " " and resid "21 " and name "HG21") OR (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 6.000 6.000 0.000 peak 2278 weight 0.10000E+01 volume 0.24600E+00 ppm1 2.270 ppm2 0.743 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 5.000 5.000 0.000 peak 2291 weight 0.10000E+01 volume 0.31900E+00 ppm1 1.762 ppm2 0.746 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") ) 5.000 5.000 0.000 peak 2292 weight 0.10000E+01 volume 0.56700E+00 ppm1 1.762 ppm2 0.875 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2300 weight 0.10000E+01 volume 0.36700E+00 ppm1 1.764 ppm2 7.732 ASSI ( (segid " " and resid "20 " and name "HB1 ") )( (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2290 weight 0.10000E+01 volume 0.17900E+00 ppm1 2.270 ppm2 7.732 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "21 " and name "HN ") ) 5.000 5.000 0.000 peak 2299 weight 0.10000E+01 volume 0.37000E+00 ppm1 1.760 ppm2 8.048 ASSI ( (segid " " and resid "20 " and name "HB1 ") )( (segid " " and resid "21 " and name "HN ") ) 5.000 5.000 0.000 peak 2288 weight 0.10000E+01 volume 0.54800E+00 ppm1 2.270 ppm2 8.049 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2301 weight 0.10000E+01 volume 0.39600E+00 ppm1 1.764 ppm2 8.436 ASSI ( (segid " " and resid "20 " and name "HB1 ") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2289 weight 0.10000E+01 volume 0.30700E+00 ppm1 2.272 ppm2 8.437 ASSI ( (segid " " and resid "54 " and name "HB2 ") OR (segid " " and resid "54 " and name "HB1 ") )( (segid " " and resid "55 " and name "HN ") ) 5.000 5.000 0.000 peak 3774 weight 0.10000E+01 volume 0.36800E+00 ppm1 1.718 ppm2 7.563 ASSI ( (segid " " and resid "54 " and name "HB2 ") OR (segid " " and resid "54 " and name "HB1 ") )( (segid " " and resid "54 " and name "HN ") ) 5.000 5.000 0.000 peak 3775 weight 0.10000E+01 volume 0.12310E+01 ppm1 1.720 ppm2 8.206 ASSI ( (segid " " and resid "26 " and name "HB2 ") )( (segid " " and resid "25 " and name "HN ") ) 6.000 6.000 0.000 peak 2688 weight 0.10000E+01 volume 0.50000E-01 ppm1 3.139 ppm2 8.820 ASSI ( (segid " " and resid "26 " and name "HB1 ") )( (segid " " and resid "42 " and name "HB2 ") OR (segid " " and resid "25 " and name "HB ") ) 5.000 5.000 0.000 peak 2660 weight 0.10000E+01 volume 0.58200E+00 ppm1 3.348 ppm2 1.780 ASSI ( (segid " " and resid "26 " and name "HB2 ") )( (segid " " and resid "42 " and name "HB2 ") OR (segid " " and resid "25 " and name "HB ") ) 5.000 5.000 0.000 peak 2676 weight 0.10000E+01 volume 0.61500E+00 ppm1 3.135 ppm2 1.781 ASSI ( (segid " " and resid "26 " and name "HB2 ") )( (segid " " and resid "42 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2677 weight 0.10000E+01 volume 0.57600E+00 ppm1 3.135 ppm2 1.968 ASSI ( (segid " " and resid "26 " and name "HB1 ") )( (segid " " and resid "42 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2661 weight 0.10000E+01 volume 0.43800E+00 ppm1 3.349 ppm2 1.968 ASSI ( (segid " " and resid "26 " and name "HB2 ") )( (segid " " and resid "26 " and name "HN ") ) 5.000 5.000 0.000 peak 2685 weight 0.10000E+01 volume 0.43900E+00 ppm1 3.138 ppm2 7.673 ASSI ( (segid " " and resid "26 " and name "HB1 ") )( (segid " " and resid "26 " and name "HN ") ) 5.000 5.000 0.000 peak 2668 weight 0.10000E+01 volume 0.37300E+00 ppm1 3.349 ppm2 7.674 ASSI ( (segid " " and resid "26 " and name "HB1 ") )( (segid " " and resid "27 " and name "HN ") ) 5.000 5.000 0.000 peak 2669 weight 0.10000E+01 volume 0.43300E+00 ppm1 3.347 ppm2 7.848 ASSI ( (segid " " and resid "26 " and name "HB2 ") )( (segid " " and resid "27 " and name "HN ") ) 5.000 5.000 0.000 peak 2686 weight 0.10000E+01 volume 0.51100E+00 ppm1 3.138 ppm2 7.851 ASSI ( (segid " " and resid "26 " and name "HB1 ") )( (segid " " and resid "25 " and name "HN ") ) 6.000 6.000 0.000 peak 2671 weight 0.10000E+01 volume 0.72000E-01 ppm1 3.349 ppm2 8.822 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2103 weight 0.10000E+01 volume 0.16700E+00 ppm1 0.772 ppm2 3.820 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 2105 weight 0.10000E+01 volume 0.50900E+00 ppm1 0.770 ppm2 5.309 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2114 weight 0.10000E+01 volume 0.14700E+00 ppm1 0.441 ppm2 3.820 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "57 " and name "HZ2 ") OR (segid " " and resid "57 " and name "HE3 ") ) 6.000 6.000 0.000 peak 8486 weight 0.10000E+01 volume 0.15100E+00 ppm1 0.769 ppm2 7.325 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "18 " and name "HN ") ) 5.000 5.000 0.000 peak 8487 weight 0.10000E+01 volume 0.11410E+01 ppm1 0.771 ppm2 7.506 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "57 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2119 weight 0.10000E+01 volume 0.10100E+00 ppm1 0.434 ppm2 7.630 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "17 " and name "HA ") ) 6.000 6.000 0.000 peak 2115 weight 0.10000E+01 volume 0.17400E+00 ppm1 0.438 ppm2 4.545 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "57 " and name "HZ2 ") OR (segid " " and resid "57 " and name "HE3 ") ) 6.000 6.000 0.000 peak 2117 weight 0.10000E+01 volume 0.11400E+00 ppm1 0.440 ppm2 7.333 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "18 " and name "HN ") ) 5.000 5.000 0.000 peak 2118 weight 0.10000E+01 volume 0.10100E+01 ppm1 0.440 ppm2 7.502 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "17 " and name "HA ") ) 6.000 6.000 0.000 peak 2104 weight 0.10000E+01 volume 0.15800E+00 ppm1 0.770 ppm2 4.549 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "57 " and name "HD1 ") ) 6.000 6.000 0.000 peak 8488 weight 0.10000E+01 volume 0.90000E-01 ppm1 0.771 ppm2 7.631 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 2116 weight 0.10000E+01 volume 0.40200E+00 ppm1 0.440 ppm2 5.312 ASSI ( (segid " " and resid "28 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB1 ") )( (segid " " and resid "28 " and name "HE22") ) 6.000 6.000 0.000 peak 2757 weight 0.10000E+01 volume 0.88000E-01 ppm1 2.000 ppm2 6.853 ASSI ( (segid " " and resid "28 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB1 ") )( (segid " " and resid "28 " and name "HE21") ) 6.000 6.000 0.000 peak 2754 weight 0.10000E+01 volume 0.18300E+00 ppm1 2.002 ppm2 7.590 ASSI ( (segid " " and resid "28 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB1 ") )( (segid " " and resid "28 " and name "HN ") ) 6.000 6.000 0.000 peak 2755 weight 0.10000E+01 volume 0.26300E+00 ppm1 2.004 ppm2 8.699 ASSI ( (segid " " and resid "28 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB1 ") )( (segid " " and resid "29 " and name "HN ") ) 5.000 5.000 0.000 peak 2756 weight 0.10000E+01 volume 0.49700E+00 ppm1 2.002 ppm2 9.084 ASSI ( (segid " " and resid "5 " and name "HB ") )( (segid " " and resid "5 " and name "HN ") ) 5.000 5.000 0.000 peak 1715 weight 0.10000E+01 volume 0.81100E+00 ppm1 2.029 ppm2 8.148 ASSI ( (segid " " and resid "5 " and name "HB ") )( (segid " " and resid "6 " and name "HN ") ) 5.000 5.000 0.000 peak 1716 weight 0.10000E+01 volume 0.30300E+00 ppm1 2.030 ppm2 8.333 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "40 " and name "HN ") ) 6.000 6.000 0.000 peak 2751 weight 0.10000E+01 volume 0.12200E+00 ppm1 2.141 ppm2 9.352 ASSI ( (segid " " and resid "5 " and name "HB ") )( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG22") OR (segid " " and resid "5 " and name "HG21") OR (segid " " and resid "5 " and name "HG12") OR (segid " " and resid "5 " and name "HG11") ) 3.300 3.300 0.000 peak 8886 weight 0.10000E+01 volume 0.18590E+01 ppm1 2.029 ppm2 0.887 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 2748 weight 0.10000E+01 volume 0.16000E+00 ppm1 2.148 ppm2 8.532 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "28 " and name "HE22") ) 6.000 6.000 0.000 peak 2746 weight 0.10000E+01 volume 0.22100E+00 ppm1 2.148 ppm2 6.861 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 6.000 6.000 0.000 peak 2738 weight 0.10000E+01 volume 0.22500E+00 ppm1 2.148 ppm2 0.731 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "40 " and name "HG12") ) 6.000 6.000 0.000 peak 2740 weight 0.10000E+01 volume 0.75000E-01 ppm1 2.143 ppm2 1.246 ASSI ( (segid " " and resid "28 " and name "HG1 ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") OR (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 6.000 6.000 0.000 peak 2729 weight 0.10000E+01 volume 0.11100E+00 ppm1 2.287 ppm2 0.733 ASSI ( (segid " " and resid "28 " and name "HG2 ") OR (segid " " and resid "15 " and name "HB2 ") )( (segid " " and resid "40 " and name "HG11") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") ) 6.000 6.000 0.000 peak 2741 weight 0.10000E+01 volume 0.15700E+00 ppm1 2.144 ppm2 1.390 ASSI ( (segid " " and resid "28 " and name "HG1 ") OR (segid " " and resid "15 " and name "HB1 ") )( (segid " " and resid "40 " and name "HG11") OR (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 6.000 6.000 0.000 peak 2731 weight 0.10000E+01 volume 0.89000E-01 ppm1 2.285 ppm2 1.391 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "28 " and name "HE21") ) 5.000 5.000 0.000 peak 2747 weight 0.10000E+01 volume 0.37000E+00 ppm1 2.148 ppm2 7.584 ASSI ( (segid " " and resid "28 " and name "HG1 ") )( (segid " " and resid "28 " and name "HE21") ) 6.000 6.000 0.000 peak 2735 weight 0.10000E+01 volume 0.18100E+00 ppm1 2.288 ppm2 7.586 ASSI ( (segid " " and resid "28 " and name "HG1 ") OR (segid " " and resid "15 " and name "HB1 ") )( (segid " " and resid "52 " and name "HN ") OR (segid " " and resid "28 " and name "HN ") ) 6.000 6.000 0.000 peak 2736 weight 0.10000E+01 volume 0.26100E+00 ppm1 2.288 ppm2 8.696 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "28 " and name "HN ") ) 5.000 5.000 0.000 peak 2749 weight 0.10000E+01 volume 0.47100E+00 ppm1 2.147 ppm2 8.701 ASSI ( (segid " " and resid "15 " and name "HB1 ") )( (segid " " and resid "16 " and name "HN ") ) 6.000 6.000 0.000 peak 2737 weight 0.10000E+01 volume 0.23200E+00 ppm1 2.286 ppm2 9.073 ASSI ( (segid " " and resid "28 " and name "HG2 ") OR (segid " " and resid "15 " and name "HB2 ") )( (segid " " and resid "29 " and name "HN ") OR (segid " " and resid "16 " and name "HN ") ) 5.000 5.000 0.000 peak 2750 weight 0.10000E+01 volume 0.63700E+00 ppm1 2.149 ppm2 9.080 ASSI ( (segid " " and resid "7 " and name "HB2 ") )( (segid " " and resid "7 " and name "HN ") ) 5.000 5.000 0.000 peak 1751 weight 0.10000E+01 volume 0.35500E+00 ppm1 1.660 ppm2 8.391 ASSI ( (segid " " and resid "7 " and name "HB2 ") )( (segid " " and resid "8 " and name "HN ") ) 6.000 6.000 0.000 peak 1752 weight 0.10000E+01 volume 0.15700E+00 ppm1 1.661 ppm2 8.487 ASSI ( (segid " " and resid "7 " and name "HB1 ") )( (segid " " and resid "8 " and name "HN ") ) 6.000 6.000 0.000 peak 1746 weight 0.10000E+01 volume 0.14700E+00 ppm1 1.724 ppm2 8.493 ASSI ( (segid " " and resid "56 " and name "HG2 ") )( (segid " " and resid "59 " and name "HD2 ") OR (segid " " and resid "59 " and name "HG1 ") ) 6.000 6.000 0.000 peak 3893 weight 0.10000E+01 volume 0.59000E-01 ppm1 2.391 ppm2 1.405 ASSI ( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") )( (segid " " and resid "55 " and name "HA ") ) 6.000 6.000 0.000 peak 3889 weight 0.10000E+01 volume 0.11000E-01 ppm1 2.392 ppm2 4.155 ASSI ( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") )( (segid " " and resid "56 " and name "HE22") ) 6.000 6.000 0.000 peak 3890 weight 0.10000E+01 volume 0.21100E+00 ppm1 2.398 ppm2 6.949 ASSI ( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") )( (segid " " and resid "56 " and name "HE21") ) 5.000 5.000 0.000 peak 3891 weight 0.10000E+01 volume 0.41200E+00 ppm1 2.396 ppm2 7.921 ASSI ( (segid " " and resid "7 " and name "HB1 ") )( (segid " " and resid "7 " and name "HN ") ) 5.000 5.000 0.000 peak 1745 weight 0.10000E+01 volume 0.30600E+00 ppm1 1.724 ppm2 8.392 ASSI ( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") )( (segid " " and resid "57 " and name "HN ") OR (segid " " and resid "56 " and name "HN ") ) 6.000 6.000 0.000 peak 3892 weight 0.10000E+01 volume 0.21800E+00 ppm1 2.394 ppm2 8.995 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") ) 6.000 6.000 0.000 peak 3296 weight 0.10000E+01 volume 0.11000E-01 ppm1 1.769 ppm2 0.693 ASSI ( (segid " " and resid "42 " and name "HB1 ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") OR (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") ) 6.000 6.000 0.000 peak 3284 weight 0.10000E+01 volume -0.26000E-01 ppm1 1.958 ppm2 0.694 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "48 " and name "HB1 ") OR (segid " " and resid "25 " and name "HG11") ) 6.000 6.000 0.000 peak 3298 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.772 ppm2 1.062 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "26 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3302 weight 0.10000E+01 volume 0.30000E-01 ppm1 1.773 ppm2 3.143 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3303 weight 0.10000E+01 volume 0.25000E-01 ppm1 1.767 ppm2 3.351 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "47 " and name "HA ") OR (segid " " and resid "46 " and name "HA ") ) 6.000 6.000 0.000 peak 3305 weight 0.10000E+01 volume -0.23000E-01 ppm1 1.765 ppm2 4.407 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "41 " and name "HA ") ) 6.000 6.000 0.000 peak 3304 weight 0.10000E+01 volume 0.10000E-01 ppm1 1.769 ppm2 4.996 ASSI ( (segid " " and resid "42 " and name "HB1 ") )( (segid " " and resid "41 " and name "HA ") OR (segid " " and resid "26 " and name "HA ") ) 6.000 6.000 0.000 peak 3290 weight 0.10000E+01 volume 0.90000E-02 ppm1 1.957 ppm2 4.996 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "42 " and name "HA ") ) 6.000 6.000 0.000 peak 3306 weight 0.10000E+01 volume 0.15000E-01 ppm1 1.767 ppm2 5.635 ASSI ( (segid " " and resid "42 " and name "HB1 ") )( (segid " " and resid "26 " and name "HN ") ) 6.000 6.000 0.000 peak 3292 weight 0.10000E+01 volume -0.60000E-02 ppm1 1.959 ppm2 7.668 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "26 " and name "HN ") ) 6.000 6.000 0.000 peak 3307 weight 0.10000E+01 volume 0.15000E-01 ppm1 1.764 ppm2 7.669 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 3308 weight 0.10000E+01 volume 0.15000E-01 ppm1 1.769 ppm2 8.544 ASSI ( (segid " " and resid "42 " and name "HB1 ") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 3293 weight 0.10000E+01 volume 0.10000E-01 ppm1 1.958 ppm2 8.547 ASSI ( (segid " " and resid "42 " and name "HB1 ") )( (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 3295 weight 0.10000E+01 volume 0.13000E-01 ppm1 1.957 ppm2 8.953 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 3309 weight 0.10000E+01 volume 0.21000E-01 ppm1 1.767 ppm2 8.963 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD11") OR (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 6.000 6.000 0.000 peak 1989 weight 0.10000E+01 volume -0.11400E+00 ppm1 2.152 ppm2 0.736 ASSI ( (segid " " and resid "28 " and name "HG1 ") OR (segid " " and resid "15 " and name "HB1 ") )( (segid " " and resid "28 " and name "HA ") OR (segid " " and resid "16 " and name "HA ") ) 6.000 6.000 0.000 peak 1983 weight 0.10000E+01 volume -0.17300E+00 ppm1 2.283 ppm2 4.483 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "28 " and name "HA ") ) 5.000 5.000 0.000 peak 1994 weight 0.10000E+01 volume -0.54500E+00 ppm1 2.147 ppm2 4.484 ASSI ( (segid " " and resid "15 " and name "HB1 ") )( (segid " " and resid "15 " and name "HN ") ) 6.000 6.000 0.000 peak 1987 weight 0.10000E+01 volume 0.11400E+00 ppm1 2.276 ppm2 8.809 ASSI ( (segid " " and resid "15 " and name "HB2 ") )( (segid " " and resid "15 " and name "HN ") ) 6.000 6.000 0.000 peak 1998 weight 0.10000E+01 volume 0.94000E-01 ppm1 2.147 ppm2 8.811 ASSI ( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") )( (segid " " and resid "29 " and name "HE21") ) 5.000 5.000 0.000 peak 2776 weight 0.10000E+01 volume 0.55500E+00 ppm1 2.465 ppm2 7.616 ASSI ( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") )( (segid " " and resid "30 " and name "HN ") ) 5.000 5.000 0.000 peak 2777 weight 0.10000E+01 volume 0.37700E+00 ppm1 2.465 ppm2 8.683 ASSI ( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") )( (segid " " and resid "29 " and name "HB1 ") ) 3.300 3.300 0.000 peak 8604 weight 0.10000E+01 volume 0.26160E+01 ppm1 2.466 ppm2 2.199 ASSI ( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 2769 weight 0.10000E+01 volume 0.10090E+01 ppm1 2.460 ppm2 0.683 ASSI ( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") )( (segid " " and resid "29 " and name "HE22") ) 5.000 5.000 0.000 peak 2774 weight 0.10000E+01 volume 0.37700E+00 ppm1 2.465 ppm2 6.712 ASSI ( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") )( (segid " " and resid "29 " and name "HN ") ) 5.000 5.000 0.000 peak 2778 weight 0.10000E+01 volume 0.98900E+00 ppm1 2.467 ppm2 9.085 ASSI ( (segid " " and resid "15 " and name "HG2 ") )( (segid " " and resid "52 " and name "HN ") ) 6.000 6.000 0.000 peak 2019 weight 0.10000E+01 volume 0.10800E+00 ppm1 2.542 ppm2 8.671 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "52 " and name "HN ") ) 6.000 6.000 0.000 peak 2010 weight 0.10000E+01 volume 0.12900E+00 ppm1 2.872 ppm2 8.669 ASSI ( (segid " " and resid "15 " and name "HG2 ") )( (segid " " and resid "14 " and name "HA ") ) 6.000 6.000 0.000 peak 2017 weight 0.10000E+01 volume 0.24300E+00 ppm1 2.540 ppm2 4.484 ASSI ( (segid " " and resid "15 " and name "HG2 ") )( (segid " " and resid "15 " and name "HN ") ) 5.000 5.000 0.000 peak 2020 weight 0.10000E+01 volume 0.74400E+00 ppm1 2.543 ppm2 8.811 ASSI ( (segid " " and resid "15 " and name "HG2 ") )( (segid " " and resid "16 " and name "HN ") ) 6.000 6.000 0.000 peak 2021 weight 0.10000E+01 volume 0.13400E+00 ppm1 2.543 ppm2 9.066 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "52 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2005 weight 0.10000E+01 volume 0.55400E+00 ppm1 2.875 ppm2 2.442 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "16 " and name "HA ") OR (segid " " and resid "14 " and name "HA ") ) 6.000 6.000 0.000 peak 2008 weight 0.10000E+01 volume 0.15100E+00 ppm1 2.871 ppm2 4.481 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "15 " and name "HN ") ) 5.000 5.000 0.000 peak 2011 weight 0.10000E+01 volume 0.59700E+00 ppm1 2.870 ppm2 8.810 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "16 " and name "HN ") ) 6.000 6.000 0.000 peak 2012 weight 0.10000E+01 volume 0.10600E+00 ppm1 2.870 ppm2 9.062 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "55 " and name "HB2 ") OR (segid " " and resid "54 " and name "HB2 ") OR (segid " " and resid "14 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2001 weight 0.10000E+01 volume 0.63000E-01 ppm1 2.875 ppm2 1.765 ASSI ( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 6.000 6.000 0.000 peak 2775 weight 0.10000E+01 volume 0.13800E+00 ppm1 2.463 ppm2 6.830 ASSI ( (segid " " and resid "36 " and name "HB1 ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 5.000 5.000 0.000 peak 3735 weight 0.10000E+01 volume 0.63400E+00 ppm1 1.668 ppm2 1.928 ASSI ( (segid " " and resid "36 " and name "HB2 ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 5.000 5.000 0.000 peak 2951 weight 0.10000E+01 volume 0.51200E+00 ppm1 1.346 ppm2 1.929 ASSI ( (segid " " and resid "36 " and name "HB2 ") )( (segid " " and resid "12 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2952 weight 0.10000E+01 volume 0.15400E+00 ppm1 1.347 ppm2 2.622 ASSI ( (segid " " and resid "36 " and name "HB1 ") )( (segid " " and resid "36 " and name "HN ") ) 5.000 5.000 0.000 peak 2946 weight 0.10000E+01 volume 0.62700E+00 ppm1 1.669 ppm2 8.028 ASSI ( (segid " " and resid "36 " and name "HB2 ") )( (segid " " and resid "36 " and name "HN ") ) 5.000 5.000 0.000 peak 2955 weight 0.10000E+01 volume 0.78700E+00 ppm1 1.347 ppm2 8.030 ASSI ( (segid " " and resid "36 " and name "HB1 ") )( (segid " " and resid "37 " and name "HN ") ) 5.000 5.000 0.000 peak 2947 weight 0.10000E+01 volume 0.61600E+00 ppm1 1.669 ppm2 8.299 ASSI ( (segid " " and resid "36 " and name "HB2 ") )( (segid " " and resid "37 " and name "HN ") ) 5.000 5.000 0.000 peak 2956 weight 0.10000E+01 volume 0.33000E+00 ppm1 1.345 ppm2 8.300 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") OR (segid " " and resid "36 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2000 weight 0.10000E+01 volume 0.71000E-01 ppm1 2.875 ppm2 1.389 ASSI ( (segid " " and resid "62 " and name "HB1 ") )( (segid " " and resid "62 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4147 weight 0.10000E+01 volume 0.82400E+00 ppm1 1.513 ppm2 0.440 ASSI ( (segid " " and resid "62 " and name "HB2 ") )( (segid " " and resid "62 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4138 weight 0.10000E+01 volume 0.64600E+00 ppm1 1.854 ppm2 0.440 ASSI ( (segid " " and resid "62 " and name "HB1 ") )( (segid " " and resid "59 " and name "HA ") ) 5.000 5.000 0.000 peak 4151 weight 0.10000E+01 volume 0.33000E+00 ppm1 1.513 ppm2 3.790 ASSI ( (segid " " and resid "62 " and name "HB2 ") )( (segid " " and resid "59 " and name "HA ") ) 5.000 5.000 0.000 peak 4143 weight 0.10000E+01 volume 0.42900E+00 ppm1 1.854 ppm2 3.794 ASSI ( (segid " " and resid "62 " and name "HB2 ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 6.000 6.000 0.000 peak 4144 weight 0.10000E+01 volume 0.10600E+00 ppm1 1.857 ppm2 6.816 ASSI ( (segid " " and resid "62 " and name "HB1 ") )( (segid " " and resid "63 " and name "HN ") ) 5.000 5.000 0.000 peak 4154 weight 0.10000E+01 volume 0.51600E+00 ppm1 1.510 ppm2 7.710 ASSI ( (segid " " and resid "62 " and name "HB2 ") )( (segid " " and resid "63 " and name "HN ") ) 5.000 5.000 0.000 peak 4145 weight 0.10000E+01 volume 0.62700E+00 ppm1 1.852 ppm2 7.713 ASSI ( (segid " " and resid "62 " and name "HB1 ") )( (segid " " and resid "62 " and name "HN ") ) 5.000 5.000 0.000 peak 4155 weight 0.10000E+01 volume 0.79200E+00 ppm1 1.511 ppm2 8.248 ASSI ( (segid " " and resid "62 " and name "HB2 ") )( (segid " " and resid "62 " and name "HN ") ) 5.000 5.000 0.000 peak 4146 weight 0.10000E+01 volume 0.82700E+00 ppm1 1.852 ppm2 8.251 ASSI ( (segid " " and resid "68 " and name "HG1 ") OR (segid " " and resid "63 " and name "HG2 ") )( (segid " " and resid "68 " and name "HE21") OR (segid " " and resid "63 " and name "HE21") ) 5.000 5.000 0.000 peak 4386 weight 0.10000E+01 volume 0.34800E+00 ppm1 2.327 ppm2 7.407 ASSI ( (segid " " and resid "68 " and name "HG2 ") OR (segid " " and resid "68 " and name "HG1 ") )( (segid " " and resid "69 " and name "HN ") OR (segid " " and resid "68 " and name "HN ") ) 5.000 5.000 0.000 peak 4384 weight 0.10000E+01 volume 0.10480E+01 ppm1 2.275 ppm2 7.897 ASSI ( (segid " " and resid "68 " and name "HG1 ") )( (segid " " and resid "69 " and name "HN ") OR (segid " " and resid "68 " and name "HN ") ) 5.000 5.000 0.000 peak 4380 weight 0.10000E+01 volume 0.93900E+00 ppm1 2.325 ppm2 7.900 ASSI ( (segid " " and resid "68 " and name "HG2 ") OR (segid " " and resid "68 " and name "HG1 ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 6.000 6.000 0.000 peak 4377 weight 0.10000E+01 volume 0.23500E+00 ppm1 2.321 ppm2 0.764 ASSI ( (segid " " and resid "68 " and name "HG2 ") OR (segid " " and resid "68 " and name "HG1 ") OR (segid " " and resid "63 " and name "HG2 ") )( (segid " " and resid "68 " and name "HE22") OR (segid " " and resid "63 " and name "HE22") ) 6.000 6.000 0.000 peak 4212 weight 0.10000E+01 volume 0.20000E+00 ppm1 2.307 ppm2 6.871 ASSI ( (segid " " and resid "14 " and name "HB1 ") )( (segid " " and resid "14 " and name "HN ") ) 5.000 5.000 0.000 peak 1957 weight 0.10000E+01 volume 0.47400E+00 ppm1 1.840 ppm2 8.096 ASSI ( (segid " " and resid "63 " and name "HG2 ") )( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4207 weight 0.10000E+01 volume 0.22000E+00 ppm1 2.303 ppm2 3.143 ASSI ( (segid " " and resid "63 " and name "HG1 ") )( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4197 weight 0.10000E+01 volume 0.11700E+00 ppm1 2.506 ppm2 3.149 ASSI ( (segid " " and resid "63 " and name "HG1 ") )( (segid " " and resid "60 " and name "HA ") ) 6.000 6.000 0.000 peak 4199 weight 0.10000E+01 volume 0.23000E+00 ppm1 2.507 ppm2 4.299 ASSI ( (segid " " and resid "68 " and name "HG2 ") OR (segid " " and resid "68 " and name "HG1 ") OR (segid " " and resid "63 " and name "HG2 ") )( (segid " " and resid "68 " and name "HE21") OR (segid " " and resid "63 " and name "HE21") ) 5.000 5.000 0.000 peak 4210 weight 0.10000E+01 volume 0.38300E+00 ppm1 2.309 ppm2 7.414 ASSI ( (segid " " and resid "63 " and name "HG1 ") )( (segid " " and resid "63 " and name "HE21") ) 6.000 6.000 0.000 peak 4201 weight 0.10000E+01 volume 0.27600E+00 ppm1 2.510 ppm2 7.436 ASSI ( (segid " " and resid "63 " and name "HG2 ") )( (segid " " and resid "63 " and name "HN ") ) 5.000 5.000 0.000 peak 4209 weight 0.10000E+01 volume 0.41900E+00 ppm1 2.304 ppm2 7.714 ASSI ( (segid " " and resid "63 " and name "HG1 ") )( (segid " " and resid "64 " and name "HN ") ) 6.000 6.000 0.000 peak 4203 weight 0.10000E+01 volume 0.12900E+00 ppm1 2.507 ppm2 8.125 ASSI ( (segid " " and resid "63 " and name "HG2 ") )( (segid " " and resid "64 " and name "HN ") ) 6.000 6.000 0.000 peak 4211 weight 0.10000E+01 volume 0.21200E+00 ppm1 2.302 ppm2 8.132 ASSI ( (segid " " and resid "14 " and name "HB2 ") )( (segid " " and resid "14 " and name "HN ") ) 5.000 5.000 0.000 peak 1966 weight 0.10000E+01 volume 0.43800E+00 ppm1 1.778 ppm2 8.094 ASSI ( (segid " " and resid "14 " and name "HB2 ") )( (segid " " and resid "15 " and name "HN ") ) 5.000 5.000 0.000 peak 1967 weight 0.10000E+01 volume 0.44000E+00 ppm1 1.777 ppm2 8.810 ASSI ( (segid " " and resid "14 " and name "HB1 ") )( (segid " " and resid "15 " and name "HN ") ) 5.000 5.000 0.000 peak 1958 weight 0.10000E+01 volume 0.39500E+00 ppm1 1.840 ppm2 8.808 ASSI ( (segid " " and resid "63 " and name "HG1 ") )( (segid " " and resid "63 " and name "HN ") ) 5.000 5.000 0.000 peak 4202 weight 0.10000E+01 volume 0.47500E+00 ppm1 2.510 ppm2 7.717 ASSI ( (segid " " and resid "63 " and name "HG1 ") OR (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") )( (segid " " and resid "63 " and name "HE22") OR (segid " " and resid "31 " and name "HE22") ) 6.000 6.000 0.000 peak 4200 weight 0.10000E+01 volume 0.21500E+00 ppm1 2.505 ppm2 6.850 ASSI ( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") )( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2839 weight 0.10000E+01 volume 0.13400E+00 ppm1 2.453 ppm2 1.423 ASSI ( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") )( (segid " " and resid "31 " and name "HE22") ) 5.000 5.000 0.000 peak 2846 weight 0.10000E+01 volume 0.30600E+00 ppm1 2.451 ppm2 6.885 ASSI ( (segid " " and resid "45 " and name "HG1 ") OR (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") )( (segid " " and resid "45 " and name "HE21") OR (segid " " and resid "31 " and name "HE21") ) 5.000 5.000 0.000 peak 2847 weight 0.10000E+01 volume 0.66900E+00 ppm1 2.451 ppm2 7.551 ASSI ( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") )( (segid " " and resid "34 " and name "HN ") ) 6.000 6.000 0.000 peak 2848 weight 0.10000E+01 volume 0.16100E+00 ppm1 2.451 ppm2 7.666 ASSI ( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") )( (segid " " and resid "31 " and name "HN ") ) 5.000 5.000 0.000 peak 2849 weight 0.10000E+01 volume 0.10080E+01 ppm1 2.452 ppm2 7.974 ASSI ( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") )( (segid " " and resid "33 " and name "HN ") ) 6.000 6.000 0.000 peak 2850 weight 0.10000E+01 volume 0.17400E+00 ppm1 2.454 ppm2 8.070 ASSI ( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") )( (segid " " and resid "32 " and name "HN ") ) 5.000 5.000 0.000 peak 2851 weight 0.10000E+01 volume 0.31200E+00 ppm1 2.454 ppm2 8.758 ASSI ( (segid " " and resid "45 " and name "HG2 ") )( (segid " " and resid "45 " and name "HE21") ) 6.000 6.000 0.000 peak 3457 weight 0.10000E+01 volume 0.15500E+00 ppm1 2.355 ppm2 7.580 ASSI ( (segid " " and resid "45 " and name "HG2 ") )( (segid " " and resid "47 " and name "HB2 ") OR (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 6.000 6.000 0.000 peak 3452 weight 0.10000E+01 volume 0.27600E+00 ppm1 2.355 ppm2 1.587 ASSI ( (segid " " and resid "45 " and name "HG1 ") )( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 6.000 6.000 0.000 peak 3446 weight 0.10000E+01 volume 0.23700E+00 ppm1 2.416 ppm2 1.588 ASSI ( (segid " " and resid "45 " and name "HG2 ") )( (segid " " and resid "45 " and name "HN ") ) 5.000 5.000 0.000 peak 3456 weight 0.10000E+01 volume 0.50500E+00 ppm1 2.355 ppm2 7.410 ASSI ( (segid " " and resid "45 " and name "HG1 ") )( (segid " " and resid "45 " and name "HN ") ) 5.000 5.000 0.000 peak 3450 weight 0.10000E+01 volume 0.42800E+00 ppm1 2.417 ppm2 7.411 ASSI ( (segid " " and resid "45 " and name "HG1 ") )( (segid " " and resid "45 " and name "HE21") ) 6.000 6.000 0.000 peak 3451 weight 0.10000E+01 volume 0.27000E+00 ppm1 2.418 ppm2 7.580 ASSI ( (segid " " and resid "42 " and name "HG1 ") )( (segid " " and resid "46 " and name "HN ") ) 6.000 6.000 0.000 peak 3321 weight 0.10000E+01 volume 0.17400E+00 ppm1 2.720 ppm2 8.398 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "48 " and name "HA ") OR (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 3333 weight 0.10000E+01 volume 0.12100E+00 ppm1 2.096 ppm2 5.467 ASSI ( (segid " " and resid "42 " and name "HG1 ") )( (segid " " and resid "48 " and name "HG ") ) 6.000 6.000 0.000 peak 3313 weight 0.10000E+01 volume 0.10400E+00 ppm1 2.720 ppm2 1.564 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "46 " and name "HN ") ) 6.000 6.000 0.000 peak 3335 weight 0.10000E+01 volume 0.16200E+00 ppm1 2.090 ppm2 8.398 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "46 " and name "HA ") ) 5.000 5.000 0.000 peak 3332 weight 0.10000E+01 volume 0.53600E+00 ppm1 2.094 ppm2 4.401 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") OR (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") ) 5.000 5.000 0.000 peak 3324 weight 0.10000E+01 volume 0.11560E+01 ppm1 2.095 ppm2 0.697 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "46 " and name "HB1 ") OR (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3330 weight 0.10000E+01 volume 0.11100E+00 ppm1 2.089 ppm2 3.336 ASSI ( (segid " " and resid "42 " and name "HG1 ") )( (segid " " and resid "46 " and name "HB1 ") OR (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3317 weight 0.10000E+01 volume 0.13500E+00 ppm1 2.720 ppm2 3.339 ASSI ( (segid " " and resid "42 " and name "HG1 ") )( (segid " " and resid "43 " and name "HN ") ) 5.000 5.000 0.000 peak 3323 weight 0.10000E+01 volume 0.33500E+00 ppm1 2.720 ppm2 8.955 ASSI ( (segid " " and resid "42 " and name "HG1 ") )( (segid " " and resid "46 " and name "HA ") ) 5.000 5.000 0.000 peak 3318 weight 0.10000E+01 volume 0.52700E+00 ppm1 2.720 ppm2 4.405 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "48 " and name "HG ") OR (segid " " and resid "47 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3325 weight 0.10000E+01 volume 0.13400E+00 ppm1 2.094 ppm2 1.573 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "26 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3331 weight 0.10000E+01 volume 0.11200E+00 ppm1 2.094 ppm2 3.147 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 3336 weight 0.10000E+01 volume 0.12100E+00 ppm1 2.094 ppm2 8.554 ASSI ( (segid " " and resid "42 " and name "HG1 ") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 3322 weight 0.10000E+01 volume 0.11600E+00 ppm1 2.718 ppm2 8.551 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "43 " and name "HN ") ) 5.000 5.000 0.000 peak 3337 weight 0.10000E+01 volume 0.32200E+00 ppm1 2.089 ppm2 8.951 ASSI ( (segid " " and resid "40 " and name "HB ") )( (segid " " and resid "28 " and name "HG1 ") ) 5.000 5.000 0.000 peak 1819 weight 0.10000E+01 volume 0.60800E+00 ppm1 1.969 ppm2 2.293 ASSI ( (segid " " and resid "40 " and name "HB ") )( (segid " " and resid "29 " and name "HA ") OR (segid " " and resid "28 " and name "HA ") ) 5.000 5.000 0.000 peak 3122 weight 0.10000E+01 volume 0.31800E+00 ppm1 1.971 ppm2 4.489 ASSI ( (segid " " and resid "40 " and name "HB ") )( (segid " " and resid "28 " and name "HN ") ) 5.000 5.000 0.000 peak 3124 weight 0.10000E+01 volume 0.54600E+00 ppm1 1.971 ppm2 8.705 ASSI ( (segid " " and resid "40 " and name "HB ") )( (segid " " and resid "40 " and name "HN ") ) 5.000 5.000 0.000 peak 3125 weight 0.10000E+01 volume 0.10920E+01 ppm1 1.971 ppm2 9.347 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 3837 weight 0.10000E+01 volume 0.92000E-01 ppm1 2.458 ppm2 6.162 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 3851 weight 0.10000E+01 volume 0.10400E+00 ppm1 2.237 ppm2 6.172 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "52 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3835 weight 0.10000E+01 volume 0.55500E+00 ppm1 2.456 ppm2 3.055 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "55 " and name "HN ") ) 5.000 5.000 0.000 peak 3838 weight 0.10000E+01 volume 0.62100E+00 ppm1 2.456 ppm2 7.561 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "57 " and name "HE1 ") ) 6.000 6.000 0.000 peak 3856 weight 0.10000E+01 volume 0.11400E+00 ppm1 2.246 ppm2 10.307 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "52 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3849 weight 0.10000E+01 volume 0.37200E+00 ppm1 2.245 ppm2 3.055 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "55 " and name "HN ") ) 5.000 5.000 0.000 peak 3852 weight 0.10000E+01 volume 0.51700E+00 ppm1 2.241 ppm2 7.556 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "56 " and name "HN ") ) 6.000 6.000 0.000 peak 3855 weight 0.10000E+01 volume 0.20200E+00 ppm1 2.243 ppm2 9.015 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "57 " and name "HE1 ") ) 6.000 6.000 0.000 peak 3843 weight 0.10000E+01 volume 0.18400E+00 ppm1 2.455 ppm2 10.311 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "57 " and name "HN ") OR (segid " " and resid "56 " and name "HN ") ) 6.000 6.000 0.000 peak 3841 weight 0.10000E+01 volume 0.12800E+00 ppm1 2.457 ppm2 9.004 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "54 " and name "HN ") ) 6.000 6.000 0.000 peak 3840 weight 0.10000E+01 volume 0.96000E-01 ppm1 2.456 ppm2 8.211 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "54 " and name "HN ") ) 6.000 6.000 0.000 peak 3854 weight 0.10000E+01 volume 0.10600E+00 ppm1 2.243 ppm2 8.204 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "52 " and name "HN ") ) 6.000 6.000 0.000 peak 3842 weight 0.10000E+01 volume 0.64000E-01 ppm1 2.454 ppm2 8.677 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3033 weight 0.10000E+01 volume 0.44700E+00 ppm1 1.694 ppm2 1.376 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "40 " and name "HN ") ) 5.000 5.000 0.000 peak 3044 weight 0.10000E+01 volume 0.30500E+00 ppm1 1.692 ppm2 9.342 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "38 " and name "HA ") ) 6.000 6.000 0.000 peak 3039 weight 0.10000E+01 volume 0.12300E+00 ppm1 1.693 ppm2 4.630 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "51 " and name "HN ") ) 6.000 6.000 0.000 peak 3045 weight 0.10000E+01 volume 0.18400E+00 ppm1 1.696 ppm2 9.807 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "39 " and name "HN ") ) 5.000 5.000 0.000 peak 3043 weight 0.10000E+01 volume 0.10780E+01 ppm1 1.696 ppm2 9.036 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3031 weight 0.10000E+01 volume 0.78100E+00 ppm1 1.696 ppm2 1.089 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 3027 weight 0.10000E+01 volume 0.72300E+00 ppm1 1.696 ppm2 0.224 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "62 " and name "HG1 ") OR (segid " " and resid "53 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3035 weight 0.10000E+01 volume 0.22700E+00 ppm1 1.692 ppm2 2.010 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "53 " and name "HA ") ) 6.000 6.000 0.000 peak 3037 weight 0.10000E+01 volume 0.12100E+00 ppm1 1.696 ppm2 3.911 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "52 " and name "HN ") OR (segid " " and resid "30 " and name "HN ") ) 6.000 6.000 0.000 peak 3042 weight 0.10000E+01 volume 0.13200E+00 ppm1 1.696 ppm2 8.685 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "29 " and name "HE22") OR (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3041 weight 0.10000E+01 volume 0.10700E+00 ppm1 1.690 ppm2 6.710 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "30 " and name "HB1 ") OR (segid " " and resid "27 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3036 weight 0.10000E+01 volume 0.86000E-01 ppm1 1.696 ppm2 2.838 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "53 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3038 weight 0.10000E+01 volume 0.12200E+00 ppm1 1.696 ppm2 4.055 ASSI ( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") )( (segid " " and resid "10 " and name "HA ") ) 6.000 6.000 0.000 peak 1793 weight 0.10000E+01 volume 0.12700E+00 ppm1 2.710 ppm2 4.238 ASSI ( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") )( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") OR (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 5.000 5.000 0.000 peak 1791 weight 0.10000E+01 volume 0.14520E+01 ppm1 2.713 ppm2 0.741 ASSI ( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") OR (segid " " and resid "10 " and name "HG12") ) 6.000 6.000 0.000 peak 3781 weight 0.10000E+01 volume 0.21200E+00 ppm1 2.710 ppm2 0.844 ASSI ( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") )( (segid " " and resid "8 " and name "HA ") ) 5.000 5.000 0.000 peak 1795 weight 0.10000E+01 volume 0.30200E+00 ppm1 2.712 ppm2 4.603 ASSI ( (segid " " and resid "9 " and name "HB2 ") )( (segid " " and resid "10 " and name "HB ") ) 6.000 6.000 0.000 peak 1792 weight 0.10000E+01 volume 0.13500E+00 ppm1 2.709 ppm2 1.727 ASSI ( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") )( (segid " " and resid "9 " and name "HD21") ) 5.000 5.000 0.000 peak 1797 weight 0.10000E+01 volume 0.10460E+01 ppm1 2.711 ppm2 7.577 ASSI ( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") )( (segid " " and resid "10 " and name "HN ") ) 5.000 5.000 0.000 peak 1798 weight 0.10000E+01 volume 0.64100E+00 ppm1 2.708 ppm2 7.691 ASSI ( (segid " " and resid "9 " and name "HB1 ") )( (segid " " and resid "9 " and name "HN ") ) 5.000 5.000 0.000 peak 1799 weight 0.10000E+01 volume 0.10970E+01 ppm1 2.715 ppm2 9.140 ASSI ( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") )( (segid " " and resid "9 " and name "HD22") ) 5.000 5.000 0.000 peak 1796 weight 0.10000E+01 volume 0.56000E+00 ppm1 2.708 ppm2 6.855 ASSI ( (segid " " and resid "30 " and name "HB1 ") )( (segid " " and resid "40 " and name "HG11") OR (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2781 weight 0.10000E+01 volume 0.42200E+00 ppm1 2.825 ppm2 1.372 ASSI ( (segid " " and resid "30 " and name "HB1 ") )( (segid " " and resid "39 " and name "HA ") OR (segid " " and resid "29 " and name "HA ") ) 5.000 5.000 0.000 peak 2784 weight 0.10000E+01 volume 0.30000E+00 ppm1 2.819 ppm2 4.501 ASSI ( (segid " " and resid "30 " and name "HB2 ") )( (segid " " and resid "30 " and name "HN ") ) 5.000 5.000 0.000 peak 2801 weight 0.10000E+01 volume 0.84400E+00 ppm1 2.702 ppm2 8.685 ASSI ( (segid " " and resid "30 " and name "HB2 ") )( (segid " " and resid "40 " and name "HG11") OR (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2793 weight 0.10000E+01 volume 0.47200E+00 ppm1 2.702 ppm2 1.381 ASSI ( (segid " " and resid "75 " and name "HB1 ") OR (segid " " and resid "30 " and name "HB1 ") )( (segid " " and resid "76 " and name "HN ") OR (segid " " and resid "31 " and name "HN ") ) 5.000 5.000 0.000 peak 2789 weight 0.10000E+01 volume 0.31900E+00 ppm1 2.821 ppm2 7.975 ASSI ( (segid " " and resid "30 " and name "HB2 ") )( (segid " " and resid "30 " and name "HD21") ) 5.000 5.000 0.000 peak 2798 weight 0.10000E+01 volume 0.59000E+00 ppm1 2.702 ppm2 7.299 ASSI ( (segid " " and resid "30 " and name "HB2 ") )( (segid " " and resid "38 " and name "HN ") ) 5.000 5.000 0.000 peak 2799 weight 0.10000E+01 volume 0.44800E+00 ppm1 2.702 ppm2 7.809 ASSI ( (segid " " and resid "30 " and name "HB1 ") )( (segid " " and resid "38 " and name "HN ") ) 5.000 5.000 0.000 peak 2788 weight 0.10000E+01 volume 0.46900E+00 ppm1 2.821 ppm2 7.813 ASSI ( (segid " " and resid "75 " and name "HB2 ") OR (segid " " and resid "30 " and name "HB2 ") )( (segid " " and resid "76 " and name "HN ") OR (segid " " and resid "31 " and name "HN ") ) 5.000 5.000 0.000 peak 2800 weight 0.10000E+01 volume 0.35100E+00 ppm1 2.702 ppm2 7.976 ASSI ( (segid " " and resid "30 " and name "HB2 ") )( (segid " " and resid "37 " and name "HA ") ) 6.000 6.000 0.000 peak 2794 weight 0.10000E+01 volume 0.20300E+00 ppm1 2.709 ppm2 4.196 ASSI ( (segid " " and resid "30 " and name "HB1 ") )( (segid " " and resid "30 " and name "HN ") ) 5.000 5.000 0.000 peak 2790 weight 0.10000E+01 volume 0.85700E+00 ppm1 2.821 ppm2 8.686 ASSI ( (segid " " and resid "30 " and name "HB1 ") )( (segid " " and resid "30 " and name "HD21") ) 5.000 5.000 0.000 peak 2787 weight 0.10000E+01 volume 0.69500E+00 ppm1 2.821 ppm2 7.299 ASSI ( (segid " " and resid "30 " and name "HB1 ") )( (segid " " and resid "37 " and name "HA ") ) 6.000 6.000 0.000 peak 2783 weight 0.10000E+01 volume 0.26700E+00 ppm1 2.821 ppm2 4.199 ASSI ( (segid " " and resid "30 " and name "HB1 ") )( (segid " " and resid "30 " and name "HD22") ) 5.000 5.000 0.000 peak 2786 weight 0.10000E+01 volume 0.39400E+00 ppm1 2.821 ppm2 6.776 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "37 " and name "HA ") OR (segid " " and resid "31 " and name "HA ") OR (segid " " and resid "10 " and name "HA ") ) 6.000 6.000 0.000 peak 2914 weight 0.10000E+01 volume 0.90000E-01 ppm1 2.984 ppm2 4.229 ASSI ( (segid " " and resid "30 " and name "HB2 ") )( (segid " " and resid "30 " and name "HD22") ) 5.000 5.000 0.000 peak 2797 weight 0.10000E+01 volume 0.39000E+00 ppm1 2.702 ppm2 6.777 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 6.000 6.000 0.000 peak 2908 weight 0.10000E+01 volume 0.12700E+00 ppm1 2.986 ppm2 0.734 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 6.000 6.000 0.000 peak 2909 weight 0.10000E+01 volume 0.13900E+00 ppm1 2.981 ppm2 1.017 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 6.000 6.000 0.000 peak 2895 weight 0.10000E+01 volume 0.19600E+00 ppm1 3.814 ppm2 1.019 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "8 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2926 weight 0.10000E+01 volume 0.16800E+00 ppm1 2.989 ppm2 2.609 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "11 " and name "HA ") ) 5.000 5.000 0.000 peak 2915 weight 0.10000E+01 volume 0.40200E+00 ppm1 2.985 ppm2 4.494 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "11 " and name "HA ") ) 5.000 5.000 0.000 peak 2900 weight 0.10000E+01 volume 0.49700E+00 ppm1 3.815 ppm2 4.500 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "30 " and name "HD22") ) 5.000 5.000 0.000 peak 2917 weight 0.10000E+01 volume 0.42900E+00 ppm1 2.989 ppm2 6.776 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "30 " and name "HD21") ) 6.000 6.000 0.000 peak 2918 weight 0.10000E+01 volume 0.29700E+00 ppm1 2.986 ppm2 7.301 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "34 " and name "HN ") ) 5.000 5.000 0.000 peak 2919 weight 0.10000E+01 volume 0.10200E+01 ppm1 2.985 ppm2 7.639 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "31 " and name "HN ") ) 6.000 6.000 0.000 peak 2920 weight 0.10000E+01 volume 0.25200E+00 ppm1 2.988 ppm2 7.996 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "12 " and name "HN ") OR (segid " " and resid "11 " and name "HN ") ) 6.000 6.000 0.000 peak 2905 weight 0.10000E+01 volume 0.15800E+00 ppm1 3.814 ppm2 8.194 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "12 " and name "HN ") ) 6.000 6.000 0.000 peak 2921 weight 0.10000E+01 volume 0.15400E+00 ppm1 2.988 ppm2 8.196 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "35 " and name "HN ") ) 6.000 6.000 0.000 peak 2922 weight 0.10000E+01 volume 0.21600E+00 ppm1 2.980 ppm2 8.332 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "35 " and name "HN ") ) 6.000 6.000 0.000 peak 2906 weight 0.10000E+01 volume 0.16600E+00 ppm1 3.814 ppm2 8.330 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 6.000 6.000 0.000 peak 2894 weight 0.10000E+01 volume 0.80000E-01 ppm1 3.811 ppm2 0.730 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "30 " and name "HD22") ) 6.000 6.000 0.000 peak 2902 weight 0.10000E+01 volume 0.27500E+00 ppm1 3.814 ppm2 6.777 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "34 " and name "HN ") ) 5.000 5.000 0.000 peak 2904 weight 0.10000E+01 volume 0.65300E+00 ppm1 3.812 ppm2 7.637 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "30 " and name "HD21") ) 6.000 6.000 0.000 peak 2903 weight 0.10000E+01 volume 0.18100E+00 ppm1 3.815 ppm2 7.301 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "8 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2897 weight 0.10000E+01 volume 0.23700E+00 ppm1 3.815 ppm2 2.620 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "36 " and name "HN ") OR (segid " " and resid "31 " and name "HN ") ) 6.000 6.000 0.000 peak 2907 weight 0.10000E+01 volume 0.14600E+00 ppm1 3.812 ppm2 7.999 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "31 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2910 weight 0.10000E+01 volume 0.17600E+00 ppm1 2.983 ppm2 1.991 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "31 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2896 weight 0.10000E+01 volume 0.14300E+00 ppm1 3.816 ppm2 1.992 ASSI ( (segid " " and resid "75 " and name "HB1 ") )( (segid " " and resid "75 " and name "HN ") ) 6.000 6.000 0.000 peak 8635 weight 0.10000E+01 volume 0.13700E+00 ppm1 2.820 ppm2 8.439 ASSI ( (segid " " and resid "75 " and name "HB2 ") )( (segid " " and resid "75 " and name "HN ") ) 6.000 6.000 0.000 peak 8636 weight 0.10000E+01 volume 0.14500E+00 ppm1 2.691 ppm2 8.437 ASSI ( (segid " " and resid "66 " and name "HB2 ") )( (segid " " and resid "65 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4339 weight 0.10000E+01 volume 0.11800E+00 ppm1 2.887 ppm2 2.127 ASSI ( (segid " " and resid "66 " and name "HB1 ") )( (segid " " and resid "63 " and name "HA ") ) 5.000 5.000 0.000 peak 4345 weight 0.10000E+01 volume 0.75800E+00 ppm1 2.684 ppm2 4.067 ASSI ( (segid " " and resid "66 " and name "HB2 ") )( (segid " " and resid "63 " and name "HA ") ) 5.000 5.000 0.000 peak 4341 weight 0.10000E+01 volume 0.67100E+00 ppm1 2.889 ppm2 4.072 ASSI ( (segid " " and resid "66 " and name "HB1 ") )( (segid " " and resid "67 " and name "HN ") ) 5.000 5.000 0.000 peak 4347 weight 0.10000E+01 volume 0.63200E+00 ppm1 2.682 ppm2 7.924 ASSI ( (segid " " and resid "66 " and name "HB2 ") )( (segid " " and resid "67 " and name "HN ") ) 5.000 5.000 0.000 peak 4343 weight 0.10000E+01 volume 0.60600E+00 ppm1 2.890 ppm2 7.926 ASSI ( (segid " " and resid "66 " and name "HB2 ") )( (segid " " and resid "66 " and name "HN ") ) 5.000 5.000 0.000 peak 4344 weight 0.10000E+01 volume 0.81800E+00 ppm1 2.889 ppm2 8.907 ASSI ( (segid " " and resid "66 " and name "HB1 ") )( (segid " " and resid "66 " and name "HN ") ) 5.000 5.000 0.000 peak 4348 weight 0.10000E+01 volume 0.92400E+00 ppm1 2.684 ppm2 8.910 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "35 " and name "HA1 ") ) 6.000 6.000 0.000 peak 1909 weight 0.10000E+01 volume 0.21500E+00 ppm1 3.030 ppm2 4.282 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") ) 6.000 6.000 0.000 peak 1903 weight 0.10000E+01 volume 0.13900E+00 ppm1 3.031 ppm2 0.752 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "36 " and name "HB2 ") ) 5.000 5.000 0.000 peak 1904 weight 0.10000E+01 volume 0.86400E+00 ppm1 3.029 ppm2 1.377 ASSI ( (segid " " and resid "12 " and name "HB1 ") )( (segid " " and resid "36 " and name "HB1 ") ) 6.000 6.000 0.000 peak 1919 weight 0.10000E+01 volume 0.21900E+00 ppm1 2.622 ppm2 1.669 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "50 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6775 weight 0.10000E+01 volume 0.89700E+00 ppm1 3.027 ppm2 2.526 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "50 " and name "HB2 ") ) 6.000 6.000 0.000 peak 1908 weight 0.10000E+01 volume 0.25100E+00 ppm1 3.032 ppm2 3.710 ASSI ( (segid " " and resid "12 " and name "HB1 ") )( (segid " " and resid "50 " and name "HB2 ") ) 5.000 5.000 0.000 peak 1922 weight 0.10000E+01 volume 0.39500E+00 ppm1 2.623 ppm2 3.724 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "11 " and name "HA ") ) 6.000 6.000 0.000 peak 1910 weight 0.10000E+01 volume 0.18900E+00 ppm1 3.034 ppm2 4.485 ASSI ( (segid " " and resid "12 " and name "HB1 ") )( (segid " " and resid "30 " and name "HD22") ) 6.000 6.000 0.000 peak 1924 weight 0.10000E+01 volume 0.15800E+00 ppm1 2.621 ppm2 6.777 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "36 " and name "HN ") ) 5.000 5.000 0.000 peak 1914 weight 0.10000E+01 volume 0.53200E+00 ppm1 3.030 ppm2 8.031 ASSI ( (segid " " and resid "12 " and name "HB1 ") )( (segid " " and resid "36 " and name "HN ") ) 5.000 5.000 0.000 peak 1926 weight 0.10000E+01 volume 0.48700E+00 ppm1 2.619 ppm2 8.032 ASSI ( (segid " " and resid "12 " and name "HB1 ") )( (segid " " and resid "12 " and name "HN ") ) 5.000 5.000 0.000 peak 1927 weight 0.10000E+01 volume 0.62500E+00 ppm1 2.619 ppm2 8.193 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "12 " and name "HN ") ) 5.000 5.000 0.000 peak 1915 weight 0.10000E+01 volume 0.86000E+00 ppm1 3.031 ppm2 8.198 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "30 " and name "HD21") ) 6.000 6.000 0.000 peak 1913 weight 0.10000E+01 volume 0.28500E+00 ppm1 3.030 ppm2 7.302 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "30 " and name "HD22") ) 6.000 6.000 0.000 peak 1912 weight 0.10000E+01 volume 0.28100E+00 ppm1 3.030 ppm2 6.778 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "36 " and name "HB1 ") ) 6.000 6.000 0.000 peak 1905 weight 0.10000E+01 volume 0.19400E+00 ppm1 3.030 ppm2 1.662 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 5.000 5.000 0.000 peak 1906 weight 0.10000E+01 volume 0.37400E+00 ppm1 3.030 ppm2 1.928 ASSI ( (segid " " and resid "12 " and name "HB1 ") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") ) 6.000 6.000 0.000 peak 1916 weight 0.10000E+01 volume 0.14100E+00 ppm1 2.621 ppm2 0.747 ASSI ( (segid " " and resid "12 " and name "HB1 ") )( (segid " " and resid "30 " and name "HD21") ) 6.000 6.000 0.000 peak 1925 weight 0.10000E+01 volume 0.19200E+00 ppm1 2.619 ppm2 7.303 ASSI ( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") )( (segid " " and resid "57 " and name "HB2 ") ) 6.000 6.000 0.000 peak 4557 weight 0.10000E+01 volume 0.28100E+00 ppm1 2.685 ppm2 3.511 ASSI ( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") )( (segid " " and resid "60 " and name "HA ") ) 3.300 3.300 0.000 peak 4556 weight 0.10000E+01 volume 0.23750E+01 ppm1 2.685 ppm2 4.311 ASSI ( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") )( (segid " " and resid "57 " and name "HA ") ) 3.300 3.300 0.000 peak 4559 weight 0.10000E+01 volume 0.16940E+01 ppm1 2.684 ppm2 4.451 ASSI ( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") )( (segid " " and resid "59 " and name "HN ") ) 6.000 6.000 0.000 peak 4558 weight 0.10000E+01 volume 0.19700E+00 ppm1 2.685 ppm2 7.298 ASSI ( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") )( (segid " " and resid "61 " and name "HN ") ) 5.000 5.000 0.000 peak 4560 weight 0.10000E+01 volume 0.13350E+01 ppm1 2.688 ppm2 8.074 ASSI ( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") )( (segid " " and resid "60 " and name "HN ") ) 3.300 3.300 0.000 peak 4561 weight 0.10000E+01 volume 0.20040E+01 ppm1 2.686 ppm2 8.691 ASSI ( (segid " " and resid "10 " and name "HB ") )( (segid " " and resid "11 " and name "HA ") OR (segid " " and resid "9 " and name "HA ") ) 6.000 6.000 0.000 peak 1816 weight 0.10000E+01 volume 0.10200E+00 ppm1 1.725 ppm2 4.462 ASSI ( (segid " " and resid "10 " and name "HB ") )( (segid " " and resid "48 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2873 weight 0.10000E+01 volume 0.28800E+00 ppm1 1.727 ppm2 1.024 ASSI ( (segid " " and resid "10 " and name "HB ") )( (segid " " and resid "10 " and name "HN ") ) 5.000 5.000 0.000 peak 1817 weight 0.10000E+01 volume 0.49600E+00 ppm1 1.729 ppm2 7.689 ASSI ( (segid " " and resid "10 " and name "HB ") )( (segid " " and resid "11 " and name "HN ") ) 5.000 5.000 0.000 peak 1818 weight 0.10000E+01 volume 0.52800E+00 ppm1 1.731 ppm2 8.202 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "44 " and name "HA ") ) 6.000 6.000 0.000 peak 2817 weight 0.10000E+01 volume 0.16600E+00 ppm1 1.771 ppm2 3.780 ASSI ( (segid " " and resid "8 " and name "HB1 ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 6.000 6.000 0.000 peak 1764 weight 0.10000E+01 volume 0.18200E+00 ppm1 2.929 ppm2 1.011 ASSI ( (segid " " and resid "8 " and name "HB2 ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 6.000 6.000 0.000 peak 1774 weight 0.10000E+01 volume 0.18100E+00 ppm1 2.619 ppm2 1.013 ASSI ( (segid " " and resid "8 " and name "HB2 ") )( (segid " " and resid "11 " and name "HA ") ) 6.000 6.000 0.000 peak 1778 weight 0.10000E+01 volume 0.17300E+00 ppm1 2.625 ppm2 4.480 ASSI ( (segid " " and resid "8 " and name "HB2 ") )( (segid " " and resid "10 " and name "HN ") ) 5.000 5.000 0.000 peak 1781 weight 0.10000E+01 volume 0.40700E+00 ppm1 2.619 ppm2 7.685 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2820 weight 0.10000E+01 volume 0.11800E+00 ppm1 1.770 ppm2 3.357 ASSI ( (segid " " and resid "8 " and name "HB1 ") )( (segid " " and resid "11 " and name "HA ") ) 6.000 6.000 0.000 peak 1768 weight 0.10000E+01 volume 0.18900E+00 ppm1 2.926 ppm2 4.482 ASSI ( (segid " " and resid "8 " and name "HB2 ") )( (segid " " and resid "9 " and name "HN ") ) 6.000 6.000 0.000 peak 1783 weight 0.10000E+01 volume 0.18300E+00 ppm1 2.621 ppm2 9.139 ASSI ( (segid " " and resid "8 " and name "HB1 ") )( (segid " " and resid "9 " and name "HN ") ) 6.000 6.000 0.000 peak 1773 weight 0.10000E+01 volume 0.22900E+00 ppm1 2.926 ppm2 9.135 ASSI ( (segid " " and resid "8 " and name "HB1 ") )( (segid " " and resid "10 " and name "HN ") ) 5.000 5.000 0.000 peak 1771 weight 0.10000E+01 volume 0.50500E+00 ppm1 2.930 ppm2 7.687 ASSI ( (segid " " and resid "8 " and name "HB1 ") )( (segid " " and resid "8 " and name "HN ") ) 5.000 5.000 0.000 peak 1772 weight 0.10000E+01 volume 0.68100E+00 ppm1 2.930 ppm2 8.470 ASSI ( (segid " " and resid "8 " and name "HB2 ") )( (segid " " and resid "34 " and name "HA ") ) 6.000 6.000 0.000 peak 1780 weight 0.10000E+01 volume 0.26800E+00 ppm1 2.622 ppm2 5.039 ASSI ( (segid " " and resid "8 " and name "HB2 ") )( (segid " " and resid "10 " and name "HA ") OR (segid " " and resid "7 " and name "HA ") ) 6.000 6.000 0.000 peak 1777 weight 0.10000E+01 volume 0.25600E+00 ppm1 2.619 ppm2 4.247 ASSI ( (segid " " and resid "8 " and name "HB2 ") )( (segid " " and resid "8 " and name "HN ") ) 5.000 5.000 0.000 peak 1782 weight 0.10000E+01 volume 0.89900E+00 ppm1 2.627 ppm2 8.474 ASSI ( (segid " " and resid "8 " and name "HB1 ") )( (segid " " and resid "10 " and name "HA ") OR (segid " " and resid "7 " and name "HA ") ) 6.000 6.000 0.000 peak 1767 weight 0.10000E+01 volume 0.22700E+00 ppm1 2.925 ppm2 4.242 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "26 " and name "HN ") ) 6.000 6.000 0.000 peak 2571 weight 0.10000E+01 volume 0.22100E+00 ppm1 1.768 ppm2 7.674 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "25 " and name "HN ") ) 6.000 6.000 0.000 peak 2572 weight 0.10000E+01 volume 0.24100E+00 ppm1 1.771 ppm2 8.822 ASSI ( (segid " " and resid "8 " and name "HB1 ") )( (segid " " and resid "34 " and name "HB1 ") ) 5.000 5.000 0.000 peak 1766 weight 0.10000E+01 volume 0.37500E+00 ppm1 2.930 ppm2 3.831 ASSI ( (segid " " and resid "65 " and name "HB2 ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 4275 weight 0.10000E+01 volume 0.57400E+00 ppm1 2.106 ppm2 3.361 ASSI ( (segid " " and resid "65 " and name "HB1 ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 4286 weight 0.10000E+01 volume 0.44700E+00 ppm1 1.688 ppm2 3.363 ASSI ( (segid " " and resid "65 " and name "HB1 ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4288 weight 0.10000E+01 volume 0.70100E+00 ppm1 1.687 ppm2 6.710 ASSI ( (segid " " and resid "65 " and name "HB1 ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 5.000 5.000 0.000 peak 4289 weight 0.10000E+01 volume 0.44300E+00 ppm1 1.687 ppm2 6.819 ASSI ( (segid " " and resid "65 " and name "HB1 ") )( (segid " " and resid "64 " and name "HD2 ") ) 6.000 6.000 0.000 peak 4290 weight 0.10000E+01 volume 0.98000E-01 ppm1 1.686 ppm2 6.975 ASSI ( (segid " " and resid "65 " and name "HB1 ") )( (segid " " and resid "68 " and name "HN ") OR (segid " " and resid "67 " and name "HN ") OR (segid " " and resid "27 " and name "HN ") ) 6.000 6.000 0.000 peak 4291 weight 0.10000E+01 volume 0.13800E+00 ppm1 1.682 ppm2 7.883 ASSI ( (segid " " and resid "65 " and name "HB2 ") )( (segid " " and resid "65 " and name "HN ") ) 5.000 5.000 0.000 peak 4279 weight 0.10000E+01 volume 0.10880E+01 ppm1 2.110 ppm2 8.527 ASSI ( (segid " " and resid "65 " and name "HB1 ") )( (segid " " and resid "65 " and name "HN ") ) 5.000 5.000 0.000 peak 4292 weight 0.10000E+01 volume 0.87500E+00 ppm1 1.686 ppm2 8.529 ASSI ( (segid " " and resid "65 " and name "HB2 ") )( (segid " " and resid "66 " and name "HN ") ) 5.000 5.000 0.000 peak 4281 weight 0.10000E+01 volume 0.44700E+00 ppm1 2.110 ppm2 8.909 ASSI ( (segid " " and resid "65 " and name "HB1 ") )( (segid " " and resid "66 " and name "HN ") ) 5.000 5.000 0.000 peak 4293 weight 0.10000E+01 volume 0.38700E+00 ppm1 1.687 ppm2 8.910 ASSI ( (segid " " and resid "65 " and name "HB2 ") )( (segid " " and resid "64 " and name "HN ") ) 6.000 6.000 0.000 peak 4280 weight 0.10000E+01 volume 0.92000E-01 ppm1 2.103 ppm2 8.131 ASSI ( (segid " " and resid "54 " and name "HE2 ") OR (segid " " and resid "54 " and name "HE1 ") )( (segid " " and resid "54 " and name "HN ") ) 6.000 6.000 0.000 peak 3794 weight 0.10000E+01 volume 0.10400E+00 ppm1 2.954 ppm2 8.204 ASSI ( (segid " " and resid "54 " and name "HE2 ") OR (segid " " and resid "54 " and name "HE1 ") )( (segid " " and resid "54 " and name "HB2 ") OR (segid " " and resid "54 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3790 weight 0.10000E+01 volume 0.65400E+00 ppm1 2.954 ppm2 1.759 ASSI ( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") )( (segid " " and resid "57 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6885 weight 0.10000E+01 volume 0.35600E+00 ppm1 2.745 ppm2 3.221 ASSI ( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") )( (segid " " and resid "57 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2170 weight 0.10000E+01 volume 0.30100E+00 ppm1 2.740 ppm2 3.499 ASSI ( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") )( (segid " " and resid "20 " and name "HA ") OR (segid " " and resid "19 " and name "HA ") ) 6.000 6.000 0.000 peak 2171 weight 0.10000E+01 volume 0.10800E+00 ppm1 2.742 ppm2 4.135 ASSI ( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") )( (segid " " and resid "57 " and name "HA ") ) 6.000 6.000 0.000 peak 2172 weight 0.10000E+01 volume 0.83000E-01 ppm1 2.743 ppm2 4.452 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") )( (segid " " and resid "55 " and name "HN ") ) 6.000 6.000 0.000 peak 4073 weight 0.10000E+01 volume 0.11600E+00 ppm1 2.792 ppm2 7.560 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 4069 weight 0.10000E+01 volume 0.53100E+00 ppm1 2.795 ppm2 3.603 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") )( (segid " " and resid "54 " and name "HA ") ) 5.000 5.000 0.000 peak 4068 weight 0.10000E+01 volume 0.14310E+01 ppm1 2.797 ppm2 3.994 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") OR (segid " " and resid "18 " and name "HE2 ") )( (segid " " and resid "59 " and name "HN ") OR (segid " " and resid "57 " and name "HE3 ") ) 6.000 6.000 0.000 peak 4072 weight 0.10000E+01 volume 0.18200E+00 ppm1 2.796 ppm2 7.298 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") OR (segid " " and resid "18 " and name "HE1 ") )( (segid " " and resid "56 " and name "HE22") ) 6.000 6.000 0.000 peak 4071 weight 0.10000E+01 volume 0.11900E+00 ppm1 2.796 ppm2 6.949 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") )( (segid " " and resid "54 " and name "HN ") ) 6.000 6.000 0.000 peak 4075 weight 0.10000E+01 volume 0.10300E+00 ppm1 2.793 ppm2 8.211 ASSI ( (segid " " and resid "27 " and name "HB2 ") )( (segid " " and resid "27 " and name "HN ") ) 6.000 6.000 0.000 peak 4074 weight 0.10000E+01 volume 0.12700E+00 ppm1 2.797 ppm2 7.911 ASSI ( (segid " " and resid "27 " and name "HB1 ") )( (segid " " and resid "65 " and name "HB1 ") OR (segid " " and resid "41 " and name "HG ") ) 6.000 6.000 0.000 peak 2718 weight 0.10000E+01 volume 0.12700E+00 ppm1 2.551 ppm2 1.675 ASSI ( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 5.000 5.000 0.000 peak 2974 weight 0.10000E+01 volume 0.30000E+00 ppm1 2.977 ppm2 1.920 ASSI ( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") OR (segid " " and resid "14 " and name "HE2 ") OR (segid " " and resid "14 " and name "HE1 ") )( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2975 weight 0.10000E+01 volume 0.25300E+00 ppm1 2.977 ppm2 3.845 ASSI ( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") )( (segid " " and resid "13 " and name "HA ") ) 5.000 5.000 0.000 peak 4521 weight 0.10000E+01 volume 0.40500E+00 ppm1 2.975 ppm2 4.371 ASSI ( (segid " " and resid "27 " and name "HB2 ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") ) 5.000 5.000 0.000 peak 2706 weight 0.10000E+01 volume 0.13130E+01 ppm1 2.822 ppm2 0.719 ASSI ( (segid " " and resid "27 " and name "HB2 ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 2707 weight 0.10000E+01 volume 0.74000E+00 ppm1 2.821 ppm2 0.833 ASSI ( (segid " " and resid "27 " and name "HB2 ") )( (segid " " and resid "41 " and name "HA ") ) 6.000 6.000 0.000 peak 2709 weight 0.10000E+01 volume 0.23900E+00 ppm1 2.821 ppm2 4.979 ASSI ( (segid " " and resid "27 " and name "HB1 ") )( (segid " " and resid "41 " and name "HA ") OR (segid " " and resid "26 " and name "HA ") ) 6.000 6.000 0.000 peak 2722 weight 0.10000E+01 volume 0.29500E+00 ppm1 2.554 ppm2 4.985 ASSI ( (segid " " and resid "27 " and name "HB1 ") )( (segid " " and resid "27 " and name "HN ") ) 6.000 6.000 0.000 peak 2728 weight 0.10000E+01 volume 0.17900E+00 ppm1 2.555 ppm2 7.855 ASSI ( (segid " " and resid "27 " and name "HB1 ") )( (segid " " and resid "28 " and name "HN ") ) 5.000 5.000 0.000 peak 2726 weight 0.10000E+01 volume 0.44600E+00 ppm1 2.555 ppm2 8.702 ASSI ( (segid " " and resid "27 " and name "HB1 ") )( (segid " " and resid "65 " and name "HG ") OR (segid " " and resid "62 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2719 weight 0.10000E+01 volume 0.86000E-01 ppm1 2.551 ppm2 1.848 ASSI ( (segid " " and resid "27 " and name "HB2 ") )( (segid " " and resid "28 " and name "HN ") ) 5.000 5.000 0.000 peak 2714 weight 0.10000E+01 volume 0.50400E+00 ppm1 2.822 ppm2 8.702 ASSI ( (segid " " and resid "72 " and name "HB2 ") )( (segid " " and resid "73 " and name "HB ") OR (segid " " and resid "69 " and name "HA ") ) 5.000 5.000 0.000 peak 3086 weight 0.10000E+01 volume 0.31700E+00 ppm1 1.613 ppm2 4.212 ASSI ( (segid " " and resid "72 " and name "HB1 ") )( (segid " " and resid "73 " and name "HB ") OR (segid " " and resid "71 " and name "HA ") OR (segid " " and resid "69 " and name "HA ") ) 5.000 5.000 0.000 peak 3080 weight 0.10000E+01 volume 0.75700E+00 ppm1 1.741 ppm2 4.212 ASSI ( (segid " " and resid "72 " and name "HB1 ") )( (segid " " and resid "72 " and name "HN ") ) 3.300 3.300 0.000 peak 4404 weight 0.10000E+01 volume 0.17700E+01 ppm1 1.738 ppm2 7.850 ASSI ( (segid " " and resid "72 " and name "HB2 ") )( (segid " " and resid "73 " and name "HN ") OR (segid " " and resid "72 " and name "HN ") ) 5.000 5.000 0.000 peak 4406 weight 0.10000E+01 volume 0.14120E+01 ppm1 1.619 ppm2 7.852 ASSI ( (segid " " and resid "27 " and name "HB2 ") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 2715 weight 0.10000E+01 volume 0.83000E-01 ppm1 2.819 ppm2 8.533 ASSI ( (segid " " and resid "27 " and name "HB1 ") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 2727 weight 0.10000E+01 volume 0.10300E+00 ppm1 2.551 ppm2 8.533 ASSI ( (segid " " and resid "19 " and name "HB ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 2188 weight 0.10000E+01 volume 0.49900E+00 ppm1 1.311 ppm2 1.000 ASSI ( (segid " " and resid "19 " and name "HB ") )( (segid " " and resid "20 " and name "HD2 ") ) 6.000 6.000 0.000 peak 2193 weight 0.10000E+01 volume 0.22300E+00 ppm1 1.316 ppm2 3.444 ASSI ( (segid " " and resid "19 " and name "HB ") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 2196 weight 0.10000E+01 volume 0.11520E+01 ppm1 1.315 ppm2 5.312 ASSI ( (segid " " and resid "19 " and name "HB ") )( (segid " " and resid "20 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2194 weight 0.10000E+01 volume 0.20700E+00 ppm1 1.314 ppm2 3.605 ASSI ( (segid " " and resid "52 " and name "HB1 ") )( (segid " " and resid "55 " and name "HG2 ") OR (segid " " and resid "15 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3680 weight 0.10000E+01 volume 0.55700E+00 ppm1 3.051 ppm2 2.251 ASSI ( (segid " " and resid "52 " and name "HB1 ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 6.000 6.000 0.000 peak 3003 weight 0.10000E+01 volume 0.22900E+00 ppm1 3.049 ppm2 1.923 ASSI ( (segid " " and resid "52 " and name "HB2 ") )( (segid " " and resid "55 " and name "HG2 ") OR (segid " " and resid "15 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7849 weight 0.10000E+01 volume 0.39400E+00 ppm1 2.442 ppm2 2.245 ASSI ( (segid " " and resid "52 " and name "HB1 ") )( (segid " " and resid "52 " and name "HA ") ) 5.000 5.000 0.000 peak 3683 weight 0.10000E+01 volume 0.50000E+00 ppm1 3.048 ppm2 4.783 ASSI ( (segid " " and resid "52 " and name "HB2 ") )( (segid " " and resid "52 " and name "HA ") ) 5.000 5.000 0.000 peak 3693 weight 0.10000E+01 volume 0.60400E+00 ppm1 2.443 ppm2 4.793 ASSI ( (segid " " and resid "52 " and name "HB1 ") )( (segid " " and resid "55 " and name "HN ") ) 6.000 6.000 0.000 peak 3684 weight 0.10000E+01 volume 0.16500E+00 ppm1 3.047 ppm2 7.569 ASSI ( (segid " " and resid "52 " and name "HB2 ") )( (segid " " and resid "52 " and name "HN ") ) 5.000 5.000 0.000 peak 3695 weight 0.10000E+01 volume 0.66800E+00 ppm1 2.445 ppm2 8.672 ASSI ( (segid " " and resid "52 " and name "HB1 ") )( (segid " " and resid "52 " and name "HN ") ) 5.000 5.000 0.000 peak 3685 weight 0.10000E+01 volume 0.62800E+00 ppm1 3.048 ppm2 8.672 ASSI ( (segid " " and resid "52 " and name "HB2 ") )( (segid " " and resid "55 " and name "HN ") ) 6.000 6.000 0.000 peak 3694 weight 0.10000E+01 volume 0.13900E+00 ppm1 2.446 ppm2 7.565 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "24 " and name "HD21") OR (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 3.300 3.300 0.000 peak 3398 weight 0.10000E+01 volume 0.17320E+01 ppm1 1.703 ppm2 0.750 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 2478 weight 0.10000E+01 volume 0.76900E+00 ppm1 1.697 ppm2 1.346 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "20 " and name "HD2 ") ) 6.000 6.000 0.000 peak 2481 weight 0.10000E+01 volume 0.19200E+00 ppm1 1.702 ppm2 3.448 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "43 " and name "HB ") ) 5.000 5.000 0.000 peak 2485 weight 0.10000E+01 volume 0.33900E+00 ppm1 1.702 ppm2 4.862 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 2486 weight 0.10000E+01 volume 0.15200E+00 ppm1 1.700 ppm2 5.451 ASSI ( (segid " " and resid "23 " and name "HB2 ") )( (segid " " and resid "24 " and name "HN ") OR (segid " " and resid "23 " and name "HN ") ) 3.300 3.300 0.000 peak 2487 weight 0.10000E+01 volume 0.22000E+01 ppm1 1.703 ppm2 7.729 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 2489 weight 0.10000E+01 volume 0.16600E+00 ppm1 1.709 ppm2 8.432 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "44 " and name "HN ") ) 6.000 6.000 0.000 peak 2488 weight 0.10000E+01 volume 0.24700E+00 ppm1 1.701 ppm2 8.649 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "20 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2482 weight 0.10000E+01 volume 0.11900E+00 ppm1 1.704 ppm2 3.616 ASSI ( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") )( (segid " " and resid "47 " and name "HE ") ) 5.000 5.000 0.000 peak 4524 weight 0.10000E+01 volume 0.78600E+00 ppm1 3.164 ppm2 7.076 ASSI ( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") )( (segid " " and resid "57 " and name "HH2 ") ) 5.000 5.000 0.000 peak 4525 weight 0.10000E+01 volume 0.32000E+00 ppm1 3.174 ppm2 6.564 ASSI ( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") OR (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") )( (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") OR (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 5.000 5.000 0.000 peak 2994 weight 0.10000E+01 volume 0.50800E+00 ppm1 3.186 ppm2 0.728 ASSI ( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") OR (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") )( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") OR (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") ) 5.000 5.000 0.000 peak 2993 weight 0.10000E+01 volume 0.65900E+00 ppm1 3.187 ppm2 0.818 ASSI ( (segid " " and resid "74 " and name "HD2 ") OR (segid " " and resid "74 " and name "HD1 ") OR (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") OR (segid " " and resid "44 " and name "HD1 ") OR (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") )( (segid " " and resid "74 " and name "HE ") OR (segid " " and resid "67 " and name "HE ") OR (segid " " and resid "44 " and name "HE ") OR (segid " " and resid "37 " and name "HE ") ) 3.300 3.300 0.000 peak 4523 weight 0.10000E+01 volume 0.23890E+01 ppm1 3.172 ppm2 7.209 ASSI ( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") OR (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") OR (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") )( (segid " " and resid "68 " and name "HN ") OR (segid " " and resid "48 " and name "HN ") OR (segid " " and resid "38 " and name "HN ") ) 5.000 5.000 0.000 peak 4522 weight 0.10000E+01 volume 0.36500E+00 ppm1 3.173 ppm2 7.834 ASSI ( (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") )( (segid " " and resid "37 " and name "HN ") ) 6.000 6.000 0.000 peak 2996 weight 0.10000E+01 volume 0.15900E+00 ppm1 3.183 ppm2 8.293 ASSI ( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") )( (segid " " and resid "44 " and name "HN ") ) 6.000 6.000 0.000 peak 2995 weight 0.10000E+01 volume 0.22700E+00 ppm1 3.188 ppm2 8.654 ASSI ( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") )( (segid " " and resid "23 " and name "HA ") ) 5.000 5.000 0.000 peak 2842 weight 0.10000E+01 volume 0.12440E+01 ppm1 3.181 ppm2 4.243 ASSI ( (segid " " and resid "48 " and name "HB2 ") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") OR (segid " " and resid "10 " and name "HG12") ) 5.000 5.000 0.000 peak 2448 weight 0.10000E+01 volume 0.14420E+01 ppm1 1.569 ppm2 0.833 ASSI ( (segid " " and resid "48 " and name "HB1 ") )( (segid " " and resid "42 " and name "HB2 ") OR (segid " " and resid "10 " and name "HB ") ) 5.000 5.000 0.000 peak 2874 weight 0.10000E+01 volume 0.43600E+00 ppm1 1.019 ppm2 1.726 ASSI ( (segid " " and resid "48 " and name "HB1 ") )( (segid " " and resid "47 " and name "HA ") OR (segid " " and resid "46 " and name "HA ") ) 6.000 6.000 0.000 peak 3540 weight 0.10000E+01 volume 0.12300E+00 ppm1 1.017 ppm2 4.417 ASSI ( (segid " " and resid "48 " and name "HB2 ") )( (segid " " and resid "47 " and name "HA ") ) 6.000 6.000 0.000 peak 3531 weight 0.10000E+01 volume 0.19200E+00 ppm1 1.570 ppm2 4.419 ASSI ( (segid " " and resid "48 " and name "HB1 ") )( (segid " " and resid "42 " and name "HA ") ) 6.000 6.000 0.000 peak 3542 weight 0.10000E+01 volume 0.97000E-01 ppm1 1.018 ppm2 5.630 ASSI ( (segid " " and resid "48 " and name "HB1 ") )( (segid " " and resid "48 " and name "HN ") ) 5.000 5.000 0.000 peak 3543 weight 0.10000E+01 volume 0.53800E+00 ppm1 1.019 ppm2 7.858 ASSI ( (segid " " and resid "48 " and name "HB2 ") )( (segid " " and resid "48 " and name "HN ") ) 5.000 5.000 0.000 peak 3534 weight 0.10000E+01 volume 0.86500E+00 ppm1 1.569 ppm2 7.859 ASSI ( (segid " " and resid "48 " and name "HB2 ") )( (segid " " and resid "49 " and name "HN ") ) 6.000 6.000 0.000 peak 3535 weight 0.10000E+01 volume 0.28900E+00 ppm1 1.571 ppm2 8.973 ASSI ( (segid " " and resid "48 " and name "HB1 ") )( (segid " " and resid "49 " and name "HN ") ) 5.000 5.000 0.000 peak 3544 weight 0.10000E+01 volume 0.41700E+00 ppm1 1.021 ppm2 8.975 ASSI ( (segid " " and resid "48 " and name "HB2 ") )( (segid " " and resid "42 " and name "HA ") ) 6.000 6.000 0.000 peak 3533 weight 0.10000E+01 volume 0.97000E-01 ppm1 1.572 ppm2 5.619 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "48 " and name "HA ") ) 6.000 6.000 0.000 peak 3594 weight 0.10000E+01 volume 0.10200E+00 ppm1 3.097 ppm2 5.472 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") OR (segid " " and resid "24 " and name "HD23") ) 5.000 5.000 0.000 peak 2647 weight 0.10000E+01 volume 0.36600E+00 ppm1 2.560 ppm2 0.813 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") OR (segid " " and resid "40 " and name "HG21") ) 6.000 6.000 0.000 peak 2646 weight 0.10000E+01 volume 0.27800E+00 ppm1 3.102 ppm2 0.813 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "47 " and name "HB2 ") OR (segid " " and resid "41 " and name "HG ") ) 6.000 6.000 0.000 peak 3603 weight 0.10000E+01 volume 0.15400E+00 ppm1 2.559 ppm2 1.659 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "41 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3590 weight 0.10000E+01 volume 0.25600E+00 ppm1 3.098 ppm2 1.827 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "41 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3604 weight 0.10000E+01 volume 0.35100E+00 ppm1 2.563 ppm2 1.833 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "16 " and name "HB ") ) 5.000 5.000 0.000 peak 3606 weight 0.10000E+01 volume 0.39500E+00 ppm1 2.560 ppm2 4.302 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "16 " and name "HB ") ) 5.000 5.000 0.000 peak 3592 weight 0.10000E+01 volume 0.56000E+00 ppm1 3.101 ppm2 4.304 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "49 " and name "HA ") ) 5.000 5.000 0.000 peak 3593 weight 0.10000E+01 volume 0.70800E+00 ppm1 3.101 ppm2 4.710 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "48 " and name "HA ") ) 6.000 6.000 0.000 peak 3608 weight 0.10000E+01 volume 0.12700E+00 ppm1 2.559 ppm2 5.470 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "49 " and name "HN ") ) 5.000 5.000 0.000 peak 3598 weight 0.10000E+01 volume 0.38800E+00 ppm1 3.099 ppm2 8.974 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "49 " and name "HN ") ) 5.000 5.000 0.000 peak 3611 weight 0.10000E+01 volume 0.48200E+00 ppm1 2.559 ppm2 8.977 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "50 " and name "HN ") ) 5.000 5.000 0.000 peak 3612 weight 0.10000E+01 volume 0.34800E+00 ppm1 2.559 ppm2 9.218 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "50 " and name "HN ") ) 5.000 5.000 0.000 peak 3597 weight 0.10000E+01 volume 0.49900E+00 ppm1 3.103 ppm2 9.218 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "41 " and name "HN ") ) 6.000 6.000 0.000 peak 3613 weight 0.10000E+01 volume 0.12400E+00 ppm1 2.561 ppm2 9.407 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 2506 weight 0.10000E+01 volume 0.12500E+00 ppm1 1.285 ppm2 5.452 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") ) 5.000 5.000 0.000 peak 7092 weight 0.10000E+01 volume 0.11910E+01 ppm1 2.163 ppm2 0.757 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") OR (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 3.300 3.300 0.000 peak 2253 weight 0.10000E+01 volume 0.22920E+01 ppm1 1.287 ppm2 0.825 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "65 " and name "HD11") OR (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") ) 3.300 3.300 0.000 peak 7095 weight 0.10000E+01 volume 0.17400E+01 ppm1 2.163 ppm2 0.825 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 2494 weight 0.10000E+01 volume 0.32800E+00 ppm1 2.164 ppm2 3.680 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "24 " and name "HA ") ) 5.000 5.000 0.000 peak 2505 weight 0.10000E+01 volume 0.56600E+00 ppm1 1.281 ppm2 4.690 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "24 " and name "HA ") ) 5.000 5.000 0.000 peak 2495 weight 0.10000E+01 volume 0.46300E+00 ppm1 2.164 ppm2 4.691 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 2496 weight 0.10000E+01 volume 0.11700E+00 ppm1 2.161 ppm2 5.457 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "24 " and name "HN ") ) 5.000 5.000 0.000 peak 2507 weight 0.10000E+01 volume 0.91300E+00 ppm1 1.283 ppm2 7.694 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "26 " and name "HN ") OR (segid " " and resid "24 " and name "HN ") ) 5.000 5.000 0.000 peak 2497 weight 0.10000E+01 volume 0.12760E+01 ppm1 2.162 ppm2 7.694 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "25 " and name "HN ") ) 6.000 6.000 0.000 peak 2508 weight 0.10000E+01 volume 0.28400E+00 ppm1 1.284 ppm2 8.823 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "25 " and name "HN ") ) 6.000 6.000 0.000 peak 2498 weight 0.10000E+01 volume 0.18600E+00 ppm1 2.163 ppm2 8.823 ASSI ( (segid " " and resid "41 " and name "HB1 ") )( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 6.000 6.000 0.000 peak 3222 weight 0.10000E+01 volume 0.11000E+00 ppm1 1.480 ppm2 0.241 ASSI ( (segid " " and resid "41 " and name "HB2 ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "24 " and name "HD23") ) 3.300 3.300 0.000 peak 7510 weight 0.10000E+01 volume 0.17670E+01 ppm1 1.827 ppm2 0.797 ASSI ( (segid " " and resid "41 " and name "HB1 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") ) 3.300 3.300 0.000 peak 2401 weight 0.10000E+01 volume 0.22160E+01 ppm1 1.486 ppm2 0.798 ASSI ( (segid " " and resid "41 " and name "HB1 ") )( (segid " " and resid "49 " and name "HB2 ") OR (segid " " and resid "27 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3226 weight 0.10000E+01 volume 0.24800E+00 ppm1 1.481 ppm2 2.564 ASSI ( (segid " " and resid "41 " and name "HB1 ") )( (segid " " and resid "49 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3227 weight 0.10000E+01 volume 0.10200E+00 ppm1 1.486 ppm2 3.102 ASSI ( (segid " " and resid "41 " and name "HB1 ") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 3229 weight 0.10000E+01 volume 0.22500E+00 ppm1 1.482 ppm2 8.548 ASSI ( (segid " " and resid "41 " and name "HB2 ") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 3220 weight 0.10000E+01 volume 0.15500E+00 ppm1 1.823 ppm2 8.549 ASSI ( (segid " " and resid "41 " and name "HB2 ") )( (segid " " and resid "49 " and name "HN ") ) 6.000 6.000 0.000 peak 3219 weight 0.10000E+01 volume 0.14700E+00 ppm1 1.824 ppm2 8.973 ASSI ( (segid " " and resid "41 " and name "HB1 ") )( (segid " " and resid "49 " and name "HN ") OR (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 3230 weight 0.10000E+01 volume 0.83000E-01 ppm1 1.481 ppm2 8.977 ASSI ( (segid " " and resid "41 " and name "HB1 ") )( (segid " " and resid "41 " and name "HN ") ) 5.000 5.000 0.000 peak 3231 weight 0.10000E+01 volume 0.34200E+00 ppm1 1.481 ppm2 9.416 ASSI ( (segid " " and resid "41 " and name "HB2 ") )( (segid " " and resid "41 " and name "HN ") ) 5.000 5.000 0.000 peak 3221 weight 0.10000E+01 volume 0.51600E+00 ppm1 1.825 ppm2 9.417 ASSI ( (segid " " and resid "41 " and name "HB2 ") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3218 weight 0.10000E+01 volume 0.12400E+00 ppm1 1.826 ppm2 7.143 ASSI ( (segid " " and resid "4 " and name "HA2 ") )( (segid " " and resid "5 " and name "HN ") ) 5.000 5.000 0.000 peak 1707 weight 0.10000E+01 volume 0.92700E+00 ppm1 3.906 ppm2 8.146 ASSI ( (segid " " and resid "4 " and name "HA1 ") )( (segid " " and resid "5 " and name "HN ") ) 5.000 5.000 0.000 peak 1706 weight 0.10000E+01 volume 0.91900E+00 ppm1 3.974 ppm2 8.148 ASSI ( (segid " " and resid "35 " and name "HA1 ") )( (segid " " and resid "36 " and name "HN ") ) 3.300 3.300 0.000 peak 2930 weight 0.10000E+01 volume 0.15310E+01 ppm1 4.276 ppm2 8.027 ASSI ( (segid " " and resid "35 " and name "HA2 ") )( (segid " " and resid "36 " and name "HN ") ) 5.000 5.000 0.000 peak 2936 weight 0.10000E+01 volume 0.12190E+01 ppm1 3.657 ppm2 8.028 ASSI ( (segid " " and resid "35 " and name "HA2 ") )( (segid " " and resid "12 " and name "HN ") ) 5.000 5.000 0.000 peak 2935 weight 0.10000E+01 volume 0.31200E+00 ppm1 3.655 ppm2 8.200 ASSI ( (segid " " and resid "35 " and name "HA1 ") )( (segid " " and resid "12 " and name "HN ") ) 5.000 5.000 0.000 peak 2929 weight 0.10000E+01 volume 0.38400E+00 ppm1 4.276 ppm2 8.206 ASSI ( (segid " " and resid "35 " and name "HA2 ") )( (segid " " and resid "35 " and name "HN ") ) 3.300 3.300 0.000 peak 2934 weight 0.10000E+01 volume 0.15570E+01 ppm1 3.655 ppm2 8.329 ASSI ( (segid " " and resid "35 " and name "HA1 ") )( (segid " " and resid "35 " and name "HN ") ) 5.000 5.000 0.000 peak 2928 weight 0.10000E+01 volume 0.13940E+01 ppm1 4.278 ppm2 8.330 ASSI ( (segid " " and resid "35 " and name "HA2 ") )( (segid " " and resid "34 " and name "HA ") OR (segid " " and resid "12 " and name "HA ") ) 6.000 6.000 0.000 peak 1788 weight 0.10000E+01 volume 0.22900E+00 ppm1 3.651 ppm2 5.039 ASSI ( (segid " " and resid "4 " and name "HA2 ") )( (segid " " and resid "4 " and name "HN ") ) 6.000 6.000 0.000 peak 8425 weight 0.10000E+01 volume 0.16200E+00 ppm1 3.904 ppm2 8.512 ASSI ( (segid " " and resid "4 " and name "HA1 ") )( (segid " " and resid "4 " and name "HN ") ) 6.000 6.000 0.000 peak 8426 weight 0.10000E+01 volume 0.16900E+00 ppm1 3.974 ppm2 8.518 ASSI ( (segid " " and resid "35 " and name "HA1 ") )( (segid " " and resid "34 " and name "HA ") OR (segid " " and resid "12 " and name "HA ") ) 6.000 6.000 0.000 peak 2925 weight 0.10000E+01 volume 0.21600E+00 ppm1 4.280 ppm2 5.037 ASSI ( (segid " " and resid "50 " and name "HB2 ") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") ) 6.000 6.000 0.000 peak 3626 weight 0.10000E+01 volume 0.17300E+00 ppm1 3.723 ppm2 0.746 ASSI ( (segid " " and resid "50 " and name "HB1 ") )( (segid " " and resid "12 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3639 weight 0.10000E+01 volume 0.49100E+00 ppm1 2.524 ppm2 2.653 ASSI ( (segid " " and resid "50 " and name "HB2 ") )( (segid " " and resid "49 " and name "HA ") ) 6.000 6.000 0.000 peak 3632 weight 0.10000E+01 volume 0.21500E+00 ppm1 3.719 ppm2 4.697 ASSI ( (segid " " and resid "50 " and name "HB2 ") )( (segid " " and resid "51 " and name "HA ") OR (segid " " and resid "15 " and name "HA ") ) 5.000 5.000 0.000 peak 3633 weight 0.10000E+01 volume 0.32900E+00 ppm1 3.722 ppm2 4.831 ASSI ( (segid " " and resid "50 " and name "HB1 ") )( (segid " " and resid "51 " and name "HA ") OR (segid " " and resid "15 " and name "HA ") ) 6.000 6.000 0.000 peak 3643 weight 0.10000E+01 volume 0.25200E+00 ppm1 2.522 ppm2 4.846 ASSI ( (segid " " and resid "50 " and name "HB1 ") )( (segid " " and resid "50 " and name "HN ") ) 5.000 5.000 0.000 peak 3646 weight 0.10000E+01 volume 0.65700E+00 ppm1 2.527 ppm2 9.218 ASSI ( (segid " " and resid "50 " and name "HB2 ") )( (segid " " and resid "50 " and name "HN ") ) 5.000 5.000 0.000 peak 3635 weight 0.10000E+01 volume 0.85600E+00 ppm1 3.720 ppm2 9.221 ASSI ( (segid " " and resid "50 " and name "HB1 ") )( (segid " " and resid "51 " and name "HN ") ) 5.000 5.000 0.000 peak 3645 weight 0.10000E+01 volume 0.33200E+00 ppm1 2.522 ppm2 9.811 ASSI ( (segid " " and resid "50 " and name "HB1 ") )( (segid " " and resid "49 " and name "HA ") ) 6.000 6.000 0.000 peak 3642 weight 0.10000E+01 volume 0.11300E+00 ppm1 2.521 ppm2 4.690 ASSI ( (segid " " and resid "50 " and name "HB2 ") )( (segid " " and resid "51 " and name "HN ") ) 6.000 6.000 0.000 peak 3636 weight 0.10000E+01 volume 0.22300E+00 ppm1 3.717 ppm2 9.811 ASSI ( (segid " " and resid "76 " and name "HA2 ") OR (segid " " and resid "76 " and name "HA1 ") )( (segid " " and resid "76 " and name "HN ") ) 5.000 5.000 0.000 peak 4437 weight 0.10000E+01 volume 0.55800E+00 ppm1 3.726 ppm2 7.938 ASSI ( (segid " " and resid "51 " and name "HA ") )( (segid " " and resid "52 " and name "HN ") ) 5.000 5.000 0.000 peak 4492 weight 0.10000E+01 volume 0.69500E+00 ppm1 4.849 ppm2 8.676 ASSI ( (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 6.000 6.000 0.000 peak 3746 weight 0.10000E+01 volume 0.28400E+00 ppm1 4.049 ppm2 0.696 ASSI ( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "52 " and name "HN ") ) 6.000 6.000 0.000 peak 3760 weight 0.10000E+01 volume 0.15000E+00 ppm1 4.049 ppm2 8.677 ASSI ( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") OR (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3748 weight 0.10000E+01 volume 0.57700E+00 ppm1 4.048 ppm2 1.368 ASSI ( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "52 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3753 weight 0.10000E+01 volume 0.33100E+00 ppm1 4.047 ppm2 2.470 ASSI ( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "52 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3754 weight 0.10000E+01 volume 0.21900E+00 ppm1 4.049 ppm2 3.059 ASSI ( (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "38 " and name "HA ") ) 5.000 5.000 0.000 peak 3756 weight 0.10000E+01 volume 0.11660E+01 ppm1 4.047 ppm2 4.641 ASSI ( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "52 " and name "HA ") ) 2.700 2.700 0.000 peak 3757 weight 0.10000E+01 volume 0.33070E+01 ppm1 4.047 ppm2 4.779 ASSI ( (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "39 " and name "HN ") ) 5.000 5.000 0.000 peak 3761 weight 0.10000E+01 volume 0.53900E+00 ppm1 4.047 ppm2 9.043 ASSI ( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "38 " and name "HN ") ) 6.000 6.000 0.000 peak 3759 weight 0.10000E+01 volume 0.94000E-01 ppm1 4.049 ppm2 7.813 ASSI ( (segid " " and resid "53 " and name "HD2 ") )( (segid " " and resid "54 " and name "HN ") ) 5.000 5.000 0.000 peak 3758 weight 0.10000E+01 volume 0.53200E+00 ppm1 4.049 ppm2 8.203 ASSI ( (segid " " and resid "20 " and name "HD1 ") )( (segid " " and resid "19 " and name "HN ") ) 6.000 6.000 0.000 peak 2337 weight 0.10000E+01 volume 0.11600E+00 ppm1 3.594 ppm2 5.318 ASSI ( (segid " " and resid "20 " and name "HD1 ") )( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") OR (segid " " and resid "18 " and name "HG2 ") ) 6.000 6.000 0.000 peak 2324 weight 0.10000E+01 volume 0.13600E+00 ppm1 3.594 ppm2 0.234 ASSI ( (segid " " and resid "20 " and name "HD2 ") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 3.300 3.300 0.000 peak 2342 weight 0.10000E+01 volume 0.15610E+01 ppm1 3.438 ppm2 0.747 ASSI ( (segid " " and resid "20 " and name "HD2 ") )( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") OR (segid " " and resid "18 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3472 weight 0.10000E+01 volume 0.87200E+00 ppm1 3.440 ppm2 0.815 ASSI ( (segid " " and resid "20 " and name "HD1 ") )( (segid " " and resid "19 " and name "HA ") ) 2.700 2.700 0.000 peak 8529 weight 0.10000E+01 volume 0.33220E+01 ppm1 3.597 ppm2 4.145 ASSI ( (segid " " and resid "20 " and name "HD2 ") )( (segid " " and resid "19 " and name "HA ") ) 3.300 3.300 0.000 peak 8531 weight 0.10000E+01 volume 0.24300E+01 ppm1 3.444 ppm2 4.146 ASSI ( (segid " " and resid "38 " and name "HA ") )( (segid " " and resid "39 " and name "HN ") ) 5.000 5.000 0.000 peak 4459 weight 0.10000E+01 volume 0.12980E+01 ppm1 4.628 ppm2 9.031 ASSI ( (segid " " and resid "19 " and name "HG11") )( (segid " " and resid "57 " and name "HZ2 ") OR (segid " " and resid "57 " and name "HE3 ") ) 6.000 6.000 0.000 peak 2213 weight 0.10000E+01 volume 0.84000E-01 ppm1 1.458 ppm2 7.320 ASSI ( (segid " " and resid "12 " and name "HA ") )( (segid " " and resid "12 " and name "HN ") ) 5.000 5.000 0.000 peak 4439 weight 0.10000E+01 volume 0.74100E+00 ppm1 5.054 ppm2 8.192 ASSI ( (segid " " and resid "12 " and name "HA ") )( (segid " " and resid "13 " and name "HN ") ) 5.000 5.000 0.000 peak 4438 weight 0.10000E+01 volume 0.39800E+00 ppm1 5.056 ppm2 9.310 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "42 " and name "HB1 ") OR (segid " " and resid "40 " and name "HB ") ) 6.000 6.000 0.000 peak 3522 weight 0.10000E+01 volume 0.11600E+00 ppm1 5.457 ppm2 1.951 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "47 " and name "HG2 ") OR (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") ) 6.000 6.000 0.000 peak 3518 weight 0.10000E+01 volume 0.11500E+00 ppm1 5.458 ppm2 1.347 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "42 " and name "HG2 ") OR (segid " " and resid "28 " and name "HG2 ") ) 6.000 6.000 0.000 peak 3523 weight 0.10000E+01 volume 0.11800E+00 ppm1 5.457 ppm2 2.101 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "42 " and name "HA ") ) 5.000 5.000 0.000 peak 3524 weight 0.10000E+01 volume 0.78700E+00 ppm1 5.460 ppm2 5.630 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "48 " and name "HN ") ) 5.000 5.000 0.000 peak 3526 weight 0.10000E+01 volume 0.47100E+00 ppm1 5.460 ppm2 7.853 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "49 " and name "HN ") ) 3.300 3.300 0.000 peak 3528 weight 0.10000E+01 volume 0.20390E+01 ppm1 5.460 ppm2 8.974 ASSI ( (segid " " and resid "41 " and name "HA ") )( (segid " " and resid "27 " and name "HA ") ) 5.000 5.000 0.000 peak 4480 weight 0.10000E+01 volume 0.78500E+00 ppm1 4.972 ppm2 5.913 ASSI ( (segid " " and resid "41 " and name "HA ") )( (segid " " and resid "42 " and name "HN ") ) 3.300 3.300 0.000 peak 4481 weight 0.10000E+01 volume 0.21220E+01 ppm1 4.972 ppm2 8.549 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "42 " and name "HB2 ") OR (segid " " and resid "41 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3520 weight 0.10000E+01 volume 0.23600E+00 ppm1 5.459 ppm2 1.800 ASSI ( (segid " " and resid "12 " and name "HA ") )( (segid " " and resid "12 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3600 weight 0.10000E+01 volume 0.10300E+01 ppm1 5.042 ppm2 2.626 ASSI ( (segid " " and resid "34 " and name "HA ") )( (segid " " and resid "8 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3602 weight 0.10000E+01 volume 0.90800E+00 ppm1 5.032 ppm2 2.934 ASSI ( (segid " " and resid "34 " and name "HA ") )( (segid " " and resid "34 " and name "HN ") ) 5.000 5.000 0.000 peak 2893 weight 0.10000E+01 volume 0.85800E+00 ppm1 5.033 ppm2 7.642 ASSI ( (segid " " and resid "34 " and name "HA ") )( (segid " " and resid "35 " and name "HN ") ) 5.000 5.000 0.000 peak 1761 weight 0.10000E+01 volume 0.11600E+01 ppm1 5.035 ppm2 8.340 ASSI ( (segid " " and resid "71 " and name "HA ") )( (segid " " and resid "72 " and name "HN ") OR (segid " " and resid "71 " and name "HN ") ) 2.700 2.700 0.000 peak 4400 weight 0.10000E+01 volume 0.48450E+01 ppm1 4.211 ppm2 7.822 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "48 " and name "HB1 ") OR (segid " " and resid "25 " and name "HG11") ) 6.000 6.000 0.000 peak 3272 weight 0.10000E+01 volume 0.15400E+00 ppm1 5.628 ppm2 1.033 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "48 " and name "HG ") OR (segid " " and resid "48 " and name "HB2 ") ) 6.000 6.000 0.000 peak 3274 weight 0.10000E+01 volume 0.20900E+00 ppm1 5.626 ppm2 1.546 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "42 " and name "HN ") ) 5.000 5.000 0.000 peak 3282 weight 0.10000E+01 volume 0.44700E+00 ppm1 5.626 ppm2 8.552 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "43 " and name "HN ") ) 3.300 3.300 0.000 peak 3283 weight 0.10000E+01 volume 0.25810E+01 ppm1 5.625 ppm2 8.955 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") OR (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") ) 5.000 5.000 0.000 peak 3271 weight 0.10000E+01 volume 0.44500E+00 ppm1 5.625 ppm2 0.824 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "47 " and name "HA ") OR (segid " " and resid "46 " and name "HA ") ) 6.000 6.000 0.000 peak 3279 weight 0.10000E+01 volume 0.18200E+00 ppm1 5.625 ppm2 4.412 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "47 " and name "HN ") ) 6.000 6.000 0.000 peak 3281 weight 0.10000E+01 volume 0.16600E+00 ppm1 5.627 ppm2 7.089 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "41 " and name "HA ") ) 6.000 6.000 0.000 peak 2483 weight 0.10000E+01 volume 0.10700E+00 ppm1 5.620 ppm2 4.976 ASSI ( (segid " " and resid "69 " and name "HA ") OR (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "72 " and name "HD11") OR (segid " " and resid "23 " and name "HD12") ) 5.000 5.000 0.000 peak 4387 weight 0.10000E+01 volume 0.34700E+00 ppm1 4.212 ppm2 0.925 ASSI ( (segid " " and resid "69 " and name "HA ") OR (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "72 " and name "HB1 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "20 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3238 weight 0.10000E+01 volume 0.63600E+00 ppm1 4.217 ppm2 1.745 ASSI ( (segid " " and resid "69 " and name "HA ") )( (segid " " and resid "70 " and name "HN ") OR (segid " " and resid "69 " and name "HN ") ) 3.300 3.300 0.000 peak 4391 weight 0.10000E+01 volume 0.22440E+01 ppm1 4.215 ppm2 7.899 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 5.000 5.000 0.000 peak 3570 weight 0.10000E+01 volume 0.33200E+00 ppm1 4.166 ppm2 0.725 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "23 " and name "HD21") OR (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 3571 weight 0.10000E+01 volume 0.30100E+00 ppm1 4.166 ppm2 0.818 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "21 " and name "HA ") ) 6.000 6.000 0.000 peak 2420 weight 0.10000E+01 volume 0.13100E+00 ppm1 4.169 ppm2 3.680 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "24 " and name "HN ") OR (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2421 weight 0.10000E+01 volume 0.83400E+00 ppm1 4.168 ppm2 7.717 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "23 " and name "HN ") ) 3.300 3.300 0.000 peak 2422 weight 0.10000E+01 volume 0.16860E+01 ppm1 4.167 ppm2 8.429 ASSI ( (segid " " and resid "32 " and name "HA ") )( (segid " " and resid "33 " and name "HA ") ) 5.000 5.000 0.000 peak 3657 weight 0.10000E+01 volume 0.46000E+00 ppm1 4.097 ppm2 4.354 ASSI ( (segid " " and resid "32 " and name "HA ") )( (segid " " and resid "34 " and name "HN ") ) 5.000 5.000 0.000 peak 2857 weight 0.10000E+01 volume 0.36700E+00 ppm1 4.097 ppm2 7.641 ASSI ( (segid " " and resid "32 " and name "HA ") )( (segid " " and resid "33 " and name "HN ") ) 5.000 5.000 0.000 peak 2858 weight 0.10000E+01 volume 0.11190E+01 ppm1 4.100 ppm2 8.060 ASSI ( (segid " " and resid "32 " and name "HA ") )( (segid " " and resid "32 " and name "HN ") ) 5.000 5.000 0.000 peak 2860 weight 0.10000E+01 volume 0.99800E+00 ppm1 4.100 ppm2 8.753 ASSI ( (segid " " and resid "32 " and name "HA ") )( (segid " " and resid "37 " and name "HN ") OR (segid " " and resid "35 " and name "HN ") ) 6.000 6.000 0.000 peak 2859 weight 0.10000E+01 volume 0.75000E-01 ppm1 4.104 ppm2 8.315 ASSI ( (segid " " and resid "28 " and name "HA ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4445 weight 0.10000E+01 volume 0.53900E+00 ppm1 4.474 ppm2 6.704 ASSI ( (segid " " and resid "28 " and name "HA ") )( (segid " " and resid "28 " and name "HN ") ) 5.000 5.000 0.000 peak 4447 weight 0.10000E+01 volume 0.63800E+00 ppm1 4.474 ppm2 8.697 ASSI ( (segid " " and resid "28 " and name "HA ") )( (segid " " and resid "29 " and name "HN ") ) 3.300 3.300 0.000 peak 4446 weight 0.10000E+01 volume 0.25950E+01 ppm1 4.474 ppm2 9.080 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") OR (segid " " and resid "23 " and name "HG ") ) 3.300 3.300 0.000 peak 2833 weight 0.10000E+01 volume 0.15660E+01 ppm1 4.244 ppm2 1.580 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "44 " and name "HE ") ) 6.000 6.000 0.000 peak 2855 weight 0.10000E+01 volume 0.85000E-01 ppm1 4.241 ppm2 7.185 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "24 " and name "HN ") OR (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2438 weight 0.10000E+01 volume 0.14070E+01 ppm1 4.245 ppm2 7.722 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "44 " and name "HN ") ) 6.000 6.000 0.000 peak 2854 weight 0.10000E+01 volume 0.24900E+00 ppm1 4.246 ppm2 8.647 ASSI ( (segid " " and resid "0 " and name "HA ") )( (segid " " and resid "5 " and name "HA ") ) 5.000 5.000 0.000 peak 4568 weight 0.10000E+01 volume 0.57400E+00 ppm1 4.076 ppm2 4.210 ASSI ( (segid " " and resid "47 " and name "HA ") )( (segid " " and resid "47 " and name "HN ") ) 5.000 5.000 0.000 peak 4487 weight 0.10000E+01 volume 0.78800E+00 ppm1 4.406 ppm2 7.070 ASSI ( (segid " " and resid "47 " and name "HA ") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 6.000 6.000 0.000 peak 2744 weight 0.10000E+01 volume 0.10700E+00 ppm1 4.404 ppm2 7.161 ASSI ( (segid " " and resid "47 " and name "HA ") )( (segid " " and resid "48 " and name "HN ") ) 3.300 3.300 0.000 peak 4488 weight 0.10000E+01 volume 0.28550E+01 ppm1 4.406 ppm2 7.859 ASSI ( (segid " " and resid "47 " and name "HA ") OR (segid " " and resid "9 " and name "HA ") )( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") OR (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") OR (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 6.000 6.000 0.000 peak 2770 weight 0.10000E+01 volume 0.26500E+00 ppm1 4.444 ppm2 0.741 ASSI ( (segid " " and resid "9 " and name "HA ") )( (segid " " and resid "10 " and name "HN ") ) 5.000 5.000 0.000 peak 1789 weight 0.10000E+01 volume 0.48600E+00 ppm1 4.447 ppm2 7.690 ASSI ( (segid " " and resid "9 " and name "HA ") )( (segid " " and resid "9 " and name "HN ") ) 5.000 5.000 0.000 peak 1790 weight 0.10000E+01 volume 0.73900E+00 ppm1 4.447 ppm2 9.137 ASSI ( (segid " " and resid "9 " and name "HA ") )( (segid " " and resid "9 " and name "HD21") ) 6.000 6.000 0.000 peak 3778 weight 0.10000E+01 volume 0.13900E+00 ppm1 4.448 ppm2 7.552 ASSI ( (segid " " and resid "8 " and name "HA ") )( (segid " " and resid "10 " and name "HN ") ) 5.000 5.000 0.000 peak 3676 weight 0.10000E+01 volume 0.44400E+00 ppm1 4.604 ppm2 7.688 ASSI ( (segid " " and resid "8 " and name "HA ") )( (segid " " and resid "8 " and name "HN ") ) 5.000 5.000 0.000 peak 1762 weight 0.10000E+01 volume 0.99000E+00 ppm1 4.601 ppm2 8.469 ASSI ( (segid " " and resid "8 " and name "HA ") )( (segid " " and resid "9 " and name "HN ") ) 3.300 3.300 0.000 peak 1763 weight 0.10000E+01 volume 0.18070E+01 ppm1 4.601 ppm2 9.132 ASSI ( (segid " " and resid "61 " and name "HA ") )( (segid " " and resid "58 " and name "HA ") ) 6.000 6.000 0.000 peak 4084 weight 0.10000E+01 volume 0.95000E-01 ppm1 4.000 ppm2 2.571 ASSI ( (segid " " and resid "61 " and name "HA ") )( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4085 weight 0.10000E+01 volume 0.14500E+00 ppm1 4.000 ppm2 2.711 ASSI ( (segid " " and resid "61 " and name "HA ") )( (segid " " and resid "61 " and name "HN ") ) 5.000 5.000 0.000 peak 4089 weight 0.10000E+01 volume 0.10660E+01 ppm1 4.001 ppm2 8.083 ASSI ( (segid " " and resid "61 " and name "HA ") )( (segid " " and resid "62 " and name "HN ") ) 6.000 6.000 0.000 peak 4091 weight 0.10000E+01 volume 0.29900E+00 ppm1 4.001 ppm2 8.237 ASSI ( (segid " " and resid "61 " and name "HA ") )( (segid " " and resid "65 " and name "HN ") ) 6.000 6.000 0.000 peak 4092 weight 0.10000E+01 volume 0.18700E+00 ppm1 4.001 ppm2 8.527 ASSI ( (segid " " and resid "61 " and name "HA ") )( (segid " " and resid "60 " and name "HN ") ) 6.000 6.000 0.000 peak 4093 weight 0.10000E+01 volume 0.57000E-01 ppm1 4.001 ppm2 8.690 ASSI ( (segid " " and resid "61 " and name "HA ") )( (segid " " and resid "63 " and name "HN ") ) 6.000 6.000 0.000 peak 4088 weight 0.10000E+01 volume 0.94000E-01 ppm1 4.000 ppm2 7.700 ASSI ( (segid " " and resid "14 " and name "HA ") )( (segid " " and resid "14 " and name "HN ") ) 5.000 5.000 0.000 peak 1951 weight 0.10000E+01 volume 0.33100E+00 ppm1 4.479 ppm2 8.098 ASSI ( (segid " " and resid "14 " and name "HA ") )( (segid " " and resid "15 " and name "HN ") ) 2.700 2.700 0.000 peak 1952 weight 0.10000E+01 volume 0.37580E+01 ppm1 4.478 ppm2 8.810 ASSI ( (segid " " and resid "61 " and name "HA ") )( (segid " " and resid "56 " and name "HE22") ) 6.000 6.000 0.000 peak 4090 weight 0.10000E+01 volume 0.97000E-01 ppm1 3.998 ppm2 6.999 ASSI ( (segid " " and resid "72 " and name "HA ") )( (segid " " and resid "71 " and name "HB3 ") OR (segid " " and resid "71 " and name "HB2 ") OR (segid " " and resid "71 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8359 weight 0.10000E+01 volume 0.22000E+00 ppm1 4.313 ppm2 1.431 ASSI ( (segid " " and resid "72 " and name "HA ") )( (segid " " and resid "73 " and name "HN ") OR (segid " " and resid "72 " and name "HN ") ) 3.300 3.300 0.000 peak 4402 weight 0.10000E+01 volume 0.17610E+01 ppm1 4.314 ppm2 7.856 ASSI ( (segid " " and resid "26 " and name "HA ") )( (segid " " and resid "26 " and name "HN ") ) 5.000 5.000 0.000 peak 2654 weight 0.10000E+01 volume 0.78800E+00 ppm1 4.993 ppm2 7.679 ASSI ( (segid " " and resid "26 " and name "HA ") )( (segid " " and resid "27 " and name "HN ") ) 2.700 2.700 0.000 peak 2655 weight 0.10000E+01 volume 0.30640E+01 ppm1 4.993 ppm2 7.849 ASSI ( (segid " " and resid "26 " and name "HA ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 5.000 5.000 0.000 peak 3389 weight 0.10000E+01 volume 0.99000E+00 ppm1 4.993 ppm2 0.758 ASSI ( (segid " " and resid "45 " and name "HA ") )( (segid " " and resid "45 " and name "HN ") ) 5.000 5.000 0.000 peak 3424 weight 0.10000E+01 volume 0.94500E+00 ppm1 4.265 ppm2 7.410 ASSI ( (segid " " and resid "45 " and name "HA ") OR (segid " " and resid "31 " and name "HA ") )( (segid " " and resid "45 " and name "HE21") OR (segid " " and resid "31 " and name "HE21") ) 6.000 6.000 0.000 peak 1741 weight 0.10000E+01 volume 0.16300E+00 ppm1 4.255 ppm2 7.575 ASSI ( (segid " " and resid "45 " and name "HA ") OR (segid " " and resid "7 " and name "HA ") )( (segid " " and resid "46 " and name "HN ") OR (segid " " and resid "7 " and name "HN ") ) 5.000 5.000 0.000 peak 1742 weight 0.10000E+01 volume 0.12500E+01 ppm1 4.254 ppm2 8.398 ASSI ( (segid " " and resid "7 " and name "HA ") )( (segid " " and resid "8 " and name "HN ") ) 2.700 2.700 0.000 peak 1743 weight 0.10000E+01 volume 0.31670E+01 ppm1 4.252 ppm2 8.472 ASSI ( (segid " " and resid "31 " and name "HA ") )( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2814 weight 0.10000E+01 volume 0.53700E+00 ppm1 4.239 ppm2 1.414 ASSI ( (segid " " and resid "31 " and name "HA ") )( (segid " " and resid "31 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4515 weight 0.10000E+01 volume 0.10270E+01 ppm1 4.233 ppm2 1.988 ASSI ( (segid " " and resid "31 " and name "HA ") )( (segid " " and resid "31 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4516 weight 0.10000E+01 volume 0.13890E+01 ppm1 4.233 ppm2 2.198 ASSI ( (segid " " and resid "31 " and name "HA ") )( (segid " " and resid "31 " and name "HN ") ) 5.000 5.000 0.000 peak 4514 weight 0.10000E+01 volume 0.68500E+00 ppm1 4.232 ppm2 7.976 ASSI ( (segid " " and resid "31 " and name "HA ") )( (segid " " and resid "32 " and name "HN ") ) 3.300 3.300 0.000 peak 4513 weight 0.10000E+01 volume 0.25910E+01 ppm1 4.232 ppm2 8.753 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") ) 5.000 5.000 0.000 peak 2690 weight 0.10000E+01 volume 0.45000E+00 ppm1 5.902 ppm2 0.836 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "27 " and name "HN ") ) 5.000 5.000 0.000 peak 2702 weight 0.10000E+01 volume 0.46600E+00 ppm1 5.903 ppm2 7.855 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "42 " and name "HN ") ) 5.000 5.000 0.000 peak 2703 weight 0.10000E+01 volume 0.32000E+00 ppm1 5.903 ppm2 8.547 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "28 " and name "HN ") ) 3.300 3.300 0.000 peak 2704 weight 0.10000E+01 volume 0.18600E+01 ppm1 5.905 ppm2 8.699 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "40 " and name "HN ") ) 6.000 6.000 0.000 peak 2705 weight 0.10000E+01 volume 0.10700E+00 ppm1 5.903 ppm2 9.349 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "42 " and name "HB1 ") OR (segid " " and resid "40 " and name "HB ") ) 6.000 6.000 0.000 peak 2691 weight 0.10000E+01 volume 0.24700E+00 ppm1 5.900 ppm2 1.999 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2697 weight 0.10000E+01 volume 0.82000E-01 ppm1 5.898 ppm2 3.364 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "28 " and name "HG2 ") ) 6.000 6.000 0.000 peak 2693 weight 0.10000E+01 volume 0.18900E+00 ppm1 5.900 ppm2 2.138 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "28 " and name "HA ") ) 6.000 6.000 0.000 peak 2698 weight 0.10000E+01 volume 0.19900E+00 ppm1 5.901 ppm2 4.487 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "28 " and name "HG1 ") ) 6.000 6.000 0.000 peak 2694 weight 0.10000E+01 volume 0.12300E+00 ppm1 5.899 ppm2 2.279 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "41 " and name "HG ") ) 6.000 6.000 0.000 peak 2692 weight 0.10000E+01 volume 0.16700E+00 ppm1 5.902 ppm2 1.670 ASSI ( (segid " " and resid "74 " and name "HA ") )( (segid " " and resid "74 " and name "HN ") ) 5.000 5.000 0.000 peak 4426 weight 0.10000E+01 volume 0.95600E+00 ppm1 4.332 ppm2 8.169 ASSI ( (segid " " and resid "74 " and name "HA ") )( (segid " " and resid "75 " and name "HN ") ) 5.000 5.000 0.000 peak 4427 weight 0.10000E+01 volume 0.99200E+00 ppm1 4.329 ppm2 8.436 ASSI ( (segid " " and resid "55 " and name "HA ") )( (segid " " and resid "55 " and name "HN ") ) 5.000 5.000 0.000 peak 3802 weight 0.10000E+01 volume 0.86600E+00 ppm1 4.146 ppm2 7.560 ASSI ( (segid " " and resid "55 " and name "HA ") )( (segid " " and resid "56 " and name "HN ") ) 2.700 2.700 0.000 peak 3804 weight 0.10000E+01 volume 0.33670E+01 ppm1 4.147 ppm2 9.024 ASSI ( (segid " " and resid "36 " and name "HA ") )( (segid " " and resid "36 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4519 weight 0.10000E+01 volume 0.17610E+01 ppm1 4.045 ppm2 1.683 ASSI ( (segid " " and resid "36 " and name "HA ") )( (segid " " and resid "36 " and name "HN ") ) 5.000 5.000 0.000 peak 2938 weight 0.10000E+01 volume 0.71300E+00 ppm1 4.044 ppm2 8.028 ASSI ( (segid " " and resid "36 " and name "HA ") )( (segid " " and resid "37 " and name "HN ") ) 2.700 2.700 0.000 peak 2939 weight 0.10000E+01 volume 0.31400E+01 ppm1 4.044 ppm2 8.304 ASSI ( (segid " " and resid "29 " and name "HA ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 3428 weight 0.10000E+01 volume 0.14580E+01 ppm1 4.507 ppm2 0.672 ASSI ( (segid " " and resid "29 " and name "HA ") )( (segid " " and resid "30 " and name "HN ") ) 3.300 3.300 0.000 peak 4452 weight 0.10000E+01 volume 0.26510E+01 ppm1 4.508 ppm2 8.682 ASSI ( (segid " " and resid "29 " and name "HA ") )( (segid " " and resid "29 " and name "HN ") ) 5.000 5.000 0.000 peak 4453 weight 0.10000E+01 volume 0.84900E+00 ppm1 4.508 ppm2 9.081 ASSI ( (segid " " and resid "29 " and name "HA ") )( (segid " " and resid "40 " and name "HN ") ) 5.000 5.000 0.000 peak 3469 weight 0.10000E+01 volume 0.41800E+00 ppm1 4.509 ppm2 9.353 ASSI ( (segid " " and resid "46 " and name "HA ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") OR (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD11") ) 5.000 5.000 0.000 peak 2795 weight 0.10000E+01 volume 0.64600E+00 ppm1 4.401 ppm2 0.700 ASSI ( (segid " " and resid "46 " and name "HA ") )( (segid " " and resid "47 " and name "HN ") ) 5.000 5.000 0.000 peak 3465 weight 0.10000E+01 volume 0.78800E+00 ppm1 4.394 ppm2 7.069 ASSI ( (segid " " and resid "46 " and name "HA ") )( (segid " " and resid "45 " and name "HN ") ) 6.000 6.000 0.000 peak 3464 weight 0.10000E+01 volume 0.26700E+00 ppm1 4.394 ppm2 7.406 ASSI ( (segid " " and resid "46 " and name "HA ") )( (segid " " and resid "46 " and name "HN ") ) 3.300 3.300 0.000 peak 3466 weight 0.10000E+01 volume 0.25630E+01 ppm1 4.399 ppm2 8.398 ASSI ( (segid " " and resid "46 " and name "HA ") )( (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 2816 weight 0.10000E+01 volume 0.24700E+00 ppm1 4.401 ppm2 8.945 ASSI ( (segid " " and resid "54 " and name "HA ") )( (segid " " and resid "54 " and name "HE2 ") OR (segid " " and resid "54 " and name "HE1 ") ) 6.000 6.000 0.000 peak 3766 weight 0.10000E+01 volume 0.70000E-01 ppm1 3.978 ppm2 2.946 ASSI ( (segid " " and resid "37 " and name "HA ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") OR (segid " " and resid "36 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7354 weight 0.10000E+01 volume 0.46500E+00 ppm1 4.180 ppm2 1.367 ASSI ( (segid " " and resid "37 " and name "HA ") )( (segid " " and resid "37 " and name "HG2 ") OR (segid " " and resid "37 " and name "HG1 ") ) 5.000 5.000 0.000 peak 2977 weight 0.10000E+01 volume 0.69200E+00 ppm1 4.178 ppm2 1.537 ASSI ( (segid " " and resid "37 " and name "HA ") )( (segid " " and resid "38 " and name "HN ") ) 3.300 3.300 0.000 peak 2982 weight 0.10000E+01 volume 0.26670E+01 ppm1 4.179 ppm2 7.815 ASSI ( (segid " " and resid "37 " and name "HA ") )( (segid " " and resid "37 " and name "HN ") ) 5.000 5.000 0.000 peak 2983 weight 0.10000E+01 volume 0.78200E+00 ppm1 4.179 ppm2 8.302 ASSI ( (segid " " and resid "50 " and name "HA ") )( (segid " " and resid "41 " and name "HN ") ) 6.000 6.000 0.000 peak 3624 weight 0.10000E+01 volume 0.26300E+00 ppm1 5.113 ppm2 9.403 ASSI ( (segid " " and resid "54 " and name "HA ") )( (segid " " and resid "54 " and name "HN ") ) 5.000 5.000 0.000 peak 3770 weight 0.10000E+01 volume 0.10540E+01 ppm1 3.986 ppm2 8.202 ASSI ( (segid " " and resid "60 " and name "HA ") )( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4076 weight 0.10000E+01 volume 0.17370E+01 ppm1 4.306 ppm2 2.138 ASSI ( (segid " " and resid "60 " and name "HA ") )( (segid " " and resid "63 " and name "HG2 ") ) 6.000 6.000 0.000 peak 4555 weight 0.10000E+01 volume 0.21400E+00 ppm1 4.300 ppm2 2.310 ASSI ( (segid " " and resid "60 " and name "HA ") )( (segid " " and resid "63 " and name "HN ") ) 5.000 5.000 0.000 peak 4077 weight 0.10000E+01 volume 0.54400E+00 ppm1 4.305 ppm2 7.711 ASSI ( (segid " " and resid "60 " and name "HA ") )( (segid " " and resid "64 " and name "HN ") OR (segid " " and resid "61 " and name "HN ") ) 5.000 5.000 0.000 peak 4078 weight 0.10000E+01 volume 0.43200E+00 ppm1 4.303 ppm2 8.082 ASSI ( (segid " " and resid "60 " and name "HA ") )( (segid " " and resid "60 " and name "HN ") ) 5.000 5.000 0.000 peak 4079 weight 0.10000E+01 volume 0.13300E+01 ppm1 4.304 ppm2 8.688 ASSI ( (segid " " and resid "54 " and name "HA ") )( (segid " " and resid "55 " and name "HN ") ) 5.000 5.000 0.000 peak 3769 weight 0.10000E+01 volume 0.49700E+00 ppm1 3.983 ppm2 7.567 ASSI ( (segid " " and resid "50 " and name "HA ") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") OR (segid " " and resid "10 " and name "HG12") ) 5.000 5.000 0.000 peak 3615 weight 0.10000E+01 volume 0.30300E+00 ppm1 5.113 ppm2 0.838 ASSI ( (segid " " and resid "50 " and name "HA ") )( (segid " " and resid "40 " and name "HA ") ) 5.000 5.000 0.000 peak 3682 weight 0.10000E+01 volume 0.64700E+00 ppm1 5.117 ppm2 4.909 ASSI ( (segid " " and resid "50 " and name "HA ") )( (segid " " and resid "39 " and name "HN ") ) 6.000 6.000 0.000 peak 3686 weight 0.10000E+01 volume 0.20200E+00 ppm1 5.112 ppm2 9.030 ASSI ( (segid " " and resid "50 " and name "HA ") )( (segid " " and resid "50 " and name "HN ") ) 5.000 5.000 0.000 peak 3623 weight 0.10000E+01 volume 0.50800E+00 ppm1 5.114 ppm2 9.224 ASSI ( (segid " " and resid "50 " and name "HA ") )( (segid " " and resid "51 " and name "HN ") ) 3.300 3.300 0.000 peak 3625 weight 0.10000E+01 volume 0.23260E+01 ppm1 5.113 ppm2 9.808 ASSI ( (segid " " and resid "66 " and name "HA ") )( (segid " " and resid "69 " and name "HN ") OR (segid " " and resid "68 " and name "HN ") OR (segid " " and resid "67 " and name "HN ") ) 5.000 5.000 0.000 peak 3211 weight 0.10000E+01 volume 0.11980E+01 ppm1 4.527 ppm2 7.909 ASSI ( (segid " " and resid "66 " and name "HA ") )( (segid " " and resid "66 " and name "HN ") ) 5.000 5.000 0.000 peak 4506 weight 0.10000E+01 volume 0.11470E+01 ppm1 4.525 ppm2 8.905 ASSI ( (segid " " and resid "19 " and name "HA ") )( (segid " " and resid "20 " and name "HG2 ") ) 5.000 5.000 0.000 peak 3808 weight 0.10000E+01 volume 0.90200E+00 ppm1 4.141 ppm2 1.807 ASSI ( (segid " " and resid "19 " and name "HA ") )( (segid " " and resid "20 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3801 weight 0.10000E+01 volume 0.55700E+00 ppm1 4.143 ppm2 1.987 ASSI ( (segid " " and resid "68 " and name "HA ") OR (segid " " and resid "19 " and name "HA ") )( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") ) 5.000 5.000 0.000 peak 2176 weight 0.10000E+01 volume 0.40300E+00 ppm1 4.138 ppm2 0.876 ASSI ( (segid " " and resid "19 " and name "HA ") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 2183 weight 0.10000E+01 volume 0.47800E+00 ppm1 4.142 ppm2 5.309 ASSI ( (segid " " and resid "68 " and name "HA ") )( (segid " " and resid "71 " and name "HB3 ") OR (segid " " and resid "71 " and name "HB2 ") OR (segid " " and resid "71 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3120 weight 0.10000E+01 volume 0.11360E+01 ppm1 4.087 ppm2 1.425 ASSI ( (segid " " and resid "68 " and name "HA ") )( (segid " " and resid "69 " and name "HN ") OR (segid " " and resid "68 " and name "HN ") ) 3.300 3.300 0.000 peak 4370 weight 0.10000E+01 volume 0.22320E+01 ppm1 4.089 ppm2 7.909 ASSI ( (segid " " and resid "39 " and name "HA ") )( (segid " " and resid "30 " and name "HN ") ) 5.000 5.000 0.000 peak 4466 weight 0.10000E+01 volume 0.62100E+00 ppm1 4.488 ppm2 8.686 ASSI ( (segid " " and resid "39 " and name "HA ") )( (segid " " and resid "39 " and name "HN ") ) 6.000 6.000 0.000 peak 4467 weight 0.10000E+01 volume 0.29700E+00 ppm1 4.484 ppm2 9.035 ASSI ( (segid " " and resid "39 " and name "HA ") )( (segid " " and resid "40 " and name "HN ") ) 3.300 3.300 0.000 peak 4468 weight 0.10000E+01 volume 0.16790E+01 ppm1 4.484 ppm2 9.343 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "18 " and name "HB2 ") ) 3.300 3.300 0.000 peak 2084 weight 0.10000E+01 volume 0.15190E+01 ppm1 0.675 ppm2 0.431 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") ) 5.000 5.000 0.000 peak 6838 weight 0.10000E+01 volume 0.31100E+00 ppm1 0.676 ppm2 1.308 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "19 " and name "HG11") OR (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG21") ) 6.000 6.000 0.000 peak 2087 weight 0.10000E+01 volume 0.16600E+00 ppm1 0.673 ppm2 1.443 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2088 weight 0.10000E+01 volume 0.77000E-01 ppm1 0.675 ppm2 3.815 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "19 " and name "HA ") ) 6.000 6.000 0.000 peak 2089 weight 0.10000E+01 volume 0.11200E+00 ppm1 0.677 ppm2 4.148 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "19 " and name "HN ") ) 3.300 3.300 0.000 peak 2091 weight 0.10000E+01 volume 0.17820E+01 ppm1 0.677 ppm2 5.313 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "57 " and name "HZ2 ") OR (segid " " and resid "57 " and name "HE3 ") ) 5.000 5.000 0.000 peak 2094 weight 0.10000E+01 volume 0.35900E+00 ppm1 0.675 ppm2 7.332 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "57 " and name "HH2 ") ) 6.000 6.000 0.000 peak 2092 weight 0.10000E+01 volume 0.18400E+00 ppm1 0.675 ppm2 6.571 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "57 " and name "HZ3 ") ) 6.000 6.000 0.000 peak 2093 weight 0.10000E+01 volume 0.18500E+00 ppm1 0.675 ppm2 6.669 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "18 " and name "HN ") ) 5.000 5.000 0.000 peak 2095 weight 0.10000E+01 volume 0.60600E+00 ppm1 0.675 ppm2 7.502 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "17 " and name "HA ") ) 6.000 6.000 0.000 peak 2090 weight 0.10000E+01 volume 0.14300E+00 ppm1 0.675 ppm2 4.551 ASSI ( (segid " " and resid "65 " and name "HA ") )( (segid " " and resid "66 " and name "HN ") ) 5.000 5.000 0.000 peak 4270 weight 0.10000E+01 volume 0.36300E+00 ppm1 4.032 ppm2 8.916 ASSI ( (segid " " and resid "65 " and name "HA ") )( (segid " " and resid "65 " and name "HN ") ) 5.000 5.000 0.000 peak 4269 weight 0.10000E+01 volume 0.83200E+00 ppm1 4.029 ppm2 8.527 ASSI ( (segid " " and resid "17 " and name "HA ") )( (segid " " and resid "18 " and name "HN ") ) 2.700 2.700 0.000 peak 2026 weight 0.10000E+01 volume 0.34230E+01 ppm1 4.544 ppm2 7.503 ASSI ( (segid " " and resid "17 " and name "HA ") )( (segid " " and resid "17 " and name "HN ") ) 5.000 5.000 0.000 peak 4443 weight 0.10000E+01 volume 0.94400E+00 ppm1 4.545 ppm2 7.789 ASSI ( (segid " " and resid "67 " and name "HA ") )( (segid " " and resid "70 " and name "HB3 ") OR (segid " " and resid "70 " and name "HB2 ") OR (segid " " and resid "70 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4350 weight 0.10000E+01 volume 0.11620E+01 ppm1 4.112 ppm2 1.431 ASSI ( (segid " " and resid "67 " and name "HA ") )( (segid " " and resid "68 " and name "HN ") OR (segid " " and resid "67 " and name "HN ") ) 3.300 3.300 0.000 peak 4357 weight 0.10000E+01 volume 0.24800E+01 ppm1 4.114 ppm2 7.913 ASSI ( (segid " " and resid "40 " and name "HA ") )( (segid " " and resid "41 " and name "HG ") OR (segid " " and resid "39 " and name "HB ") ) 6.000 6.000 0.000 peak 4472 weight 0.10000E+01 volume 0.26200E+00 ppm1 4.915 ppm2 1.673 ASSI ( (segid " " and resid "40 " and name "HA ") )( (segid " " and resid "41 " and name "HB2 ") ) 6.000 6.000 0.000 peak 7446 weight 0.10000E+01 volume 0.19500E+00 ppm1 4.915 ppm2 1.834 ASSI ( (segid " " and resid "40 " and name "HA ") )( (segid " " and resid "41 " and name "HN ") ) 3.300 3.300 0.000 peak 4474 weight 0.10000E+01 volume 0.21590E+01 ppm1 4.915 ppm2 9.413 ASSI ( (segid " " and resid "40 " and name "HA ") )( (segid " " and resid "51 " and name "HN ") ) 6.000 6.000 0.000 peak 4475 weight 0.10000E+01 volume 0.22200E+00 ppm1 4.914 ppm2 9.795 ASSI ( (segid " " and resid "44 " and name "HA ") )( (segid " " and resid "25 " and name "HG12") ) 5.000 5.000 0.000 peak 3387 weight 0.10000E+01 volume 0.47600E+00 ppm1 3.774 ppm2 0.619 ASSI ( (segid " " and resid "44 " and name "HA ") )( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD11") OR (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") ) 2.700 2.700 0.000 peak 3388 weight 0.10000E+01 volume 0.34450E+01 ppm1 3.774 ppm2 0.718 ASSI ( (segid " " and resid "44 " and name "HA ") )( (segid " " and resid "45 " and name "HA ") ) 6.000 6.000 0.000 peak 2822 weight 0.10000E+01 volume 0.15800E+00 ppm1 3.773 ppm2 4.262 ASSI ( (segid " " and resid "44 " and name "HA ") )( (segid " " and resid "25 " and name "HA ") OR (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 3399 weight 0.10000E+01 volume 0.10900E+00 ppm1 3.775 ppm2 4.687 ASSI ( (segid " " and resid "44 " and name "HA ") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 3400 weight 0.10000E+01 volume 0.10700E+00 ppm1 3.774 ppm2 4.874 ASSI ( (segid " " and resid "44 " and name "HA ") )( (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 3401 weight 0.10000E+01 volume 0.18500E+00 ppm1 3.776 ppm2 5.459 ASSI ( (segid " " and resid "44 " and name "HA ") )( (segid " " and resid "45 " and name "HN ") ) 5.000 5.000 0.000 peak 3402 weight 0.10000E+01 volume 0.33000E+00 ppm1 3.775 ppm2 7.403 ASSI ( (segid " " and resid "44 " and name "HA ") )( (segid " " and resid "46 " and name "HN ") ) 6.000 6.000 0.000 peak 3403 weight 0.10000E+01 volume 0.25700E+00 ppm1 3.775 ppm2 8.397 ASSI ( (segid " " and resid "44 " and name "HA ") )( (segid " " and resid "44 " and name "HN ") ) 5.000 5.000 0.000 peak 3404 weight 0.10000E+01 volume 0.84600E+00 ppm1 3.775 ppm2 8.652 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "59 " and name "HD2 ") OR (segid " " and resid "59 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3858 weight 0.10000E+01 volume 0.94100E+00 ppm1 3.604 ppm2 1.403 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "59 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3860 weight 0.10000E+01 volume 0.96400E+00 ppm1 3.602 ppm2 1.720 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "59 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3861 weight 0.10000E+01 volume 0.99800E+00 ppm1 3.602 ppm2 1.800 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "55 " and name "HA ") ) 5.000 5.000 0.000 peak 3869 weight 0.10000E+01 volume 0.33000E+00 ppm1 3.603 ppm2 4.150 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 3870 weight 0.10000E+01 volume 0.16500E+00 ppm1 3.605 ppm2 6.175 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "56 " and name "HE22") ) 6.000 6.000 0.000 peak 3871 weight 0.10000E+01 volume 0.19000E+00 ppm1 3.605 ppm2 6.939 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "59 " and name "HN ") ) 5.000 5.000 0.000 peak 3872 weight 0.10000E+01 volume 0.45600E+00 ppm1 3.604 ppm2 7.296 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "56 " and name "HE21") ) 6.000 6.000 0.000 peak 3873 weight 0.10000E+01 volume 0.24300E+00 ppm1 3.604 ppm2 7.918 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "60 " and name "HN ") ) 6.000 6.000 0.000 peak 3874 weight 0.10000E+01 volume 0.20300E+00 ppm1 3.602 ppm2 8.679 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "56 " and name "HN ") ) 5.000 5.000 0.000 peak 3875 weight 0.10000E+01 volume 0.10410E+01 ppm1 3.604 ppm2 9.016 ASSI ( (segid " " and resid "63 " and name "HA ") )( (segid " " and resid "64 " and name "HB1 ") OR (segid " " and resid "62 " and name "HA ") ) 6.000 6.000 0.000 peak 4187 weight 0.10000E+01 volume 0.18800E+00 ppm1 4.054 ppm2 3.351 ASSI ( (segid " " and resid "63 " and name "HA ") )( (segid " " and resid "63 " and name "HN ") ) 5.000 5.000 0.000 peak 4190 weight 0.10000E+01 volume 0.12750E+01 ppm1 4.057 ppm2 7.712 ASSI ( (segid " " and resid "63 " and name "HA ") )( (segid " " and resid "64 " and name "HN ") ) 5.000 5.000 0.000 peak 4192 weight 0.10000E+01 volume 0.40200E+00 ppm1 4.057 ppm2 8.125 ASSI ( (segid " " and resid "63 " and name "HA ") )( (segid " " and resid "66 " and name "HN ") ) 5.000 5.000 0.000 peak 4193 weight 0.10000E+01 volume 0.51400E+00 ppm1 4.059 ppm2 8.912 ASSI ( (segid " " and resid "13 " and name "HA ") )( (segid " " and resid "36 " and name "HD2 ") OR (segid " " and resid "36 " and name "HD1 ") ) 5.000 5.000 0.000 peak 1733 weight 0.10000E+01 volume 0.42100E+00 ppm1 4.371 ppm2 1.609 ASSI ( (segid " " and resid "13 " and name "HA ") )( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") OR (segid " " and resid "12 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2912 weight 0.10000E+01 volume 0.36300E+00 ppm1 4.370 ppm2 2.997 ASSI ( (segid " " and resid "13 " and name "HA ") )( (segid " " and resid "13 " and name "HN ") ) 6.000 6.000 0.000 peak 1932 weight 0.10000E+01 volume 0.13100E+00 ppm1 4.373 ppm2 9.335 ASSI ( (segid " " and resid "33 " and name "HA ") )( (segid " " and resid "34 " and name "HN ") ) 5.000 5.000 0.000 peak 2864 weight 0.10000E+01 volume 0.65300E+00 ppm1 4.348 ppm2 7.640 ASSI ( (segid " " and resid "33 " and name "HA ") OR (segid " " and resid "13 " and name "HA ") )( (segid " " and resid "33 " and name "HN ") OR (segid " " and resid "14 " and name "HN ") ) 3.300 3.300 0.000 peak 2865 weight 0.10000E+01 volume 0.15860E+01 ppm1 4.350 ppm2 8.058 ASSI ( (segid " " and resid "33 " and name "HA ") OR (segid " " and resid "13 " and name "HA ") )( (segid " " and resid "36 " and name "HG2 ") OR (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB1 ") ) 5.000 5.000 0.000 peak 1929 weight 0.10000E+01 volume 0.62300E+00 ppm1 4.360 ppm2 1.418 ASSI ( (segid " " and resid "33 " and name "HA ") OR (segid " " and resid "13 " and name "HA ") )( (segid " " and resid "35 " and name "HN ") ) 6.000 6.000 0.000 peak 2866 weight 0.10000E+01 volume 0.12100E+00 ppm1 4.348 ppm2 8.329 ASSI ( (segid " " and resid "57 " and name "HA ") )( (segid " " and resid "57 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4496 weight 0.10000E+01 volume 0.27100E+00 ppm1 4.450 ppm2 7.628 ASSI ( (segid " " and resid "57 " and name "HA ") )( (segid " " and resid "60 " and name "HN ") ) 6.000 6.000 0.000 peak 4498 weight 0.10000E+01 volume 0.21600E+00 ppm1 4.447 ppm2 8.689 ASSI ( (segid " " and resid "57 " and name "HA ") )( (segid " " and resid "57 " and name "HN ") ) 5.000 5.000 0.000 peak 4499 weight 0.10000E+01 volume 0.69400E+00 ppm1 4.447 ppm2 8.954 ASSI ( (segid " " and resid "64 " and name "HA ") )( (segid " " and resid "67 " and name "HN ") ) 6.000 6.000 0.000 peak 4234 weight 0.10000E+01 volume 0.14500E+00 ppm1 4.195 ppm2 7.929 ASSI ( (segid " " and resid "64 " and name "HA ") )( (segid " " and resid "64 " and name "HN ") ) 6.000 6.000 0.000 peak 4235 weight 0.10000E+01 volume 0.21200E+00 ppm1 4.195 ppm2 8.134 ASSI ( (segid " " and resid "64 " and name "HA ") )( (segid " " and resid "66 " and name "HN ") ) 6.000 6.000 0.000 peak 4237 weight 0.10000E+01 volume 0.90000E-02 ppm1 4.194 ppm2 8.905 ASSI ( (segid " " and resid "64 " and name "HA ") )( (segid " " and resid "65 " and name "HN ") ) 6.000 6.000 0.000 peak 4236 weight 0.10000E+01 volume 0.35000E-01 ppm1 4.196 ppm2 8.528 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD21") OR (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") ) 6.000 6.000 0.000 peak 4123 weight 0.10000E+01 volume 0.19300E+00 ppm1 3.360 ppm2 0.727 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "65 " and name "HB1 ") OR (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE1 ") ) 5.000 5.000 0.000 peak 4126 weight 0.10000E+01 volume 0.40300E+00 ppm1 3.357 ppm2 1.710 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "63 " and name "HA ") OR (segid " " and resid "61 " and name "HA ") ) 6.000 6.000 0.000 peak 4129 weight 0.10000E+01 volume 0.91000E-01 ppm1 3.358 ppm2 4.030 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "64 " and name "HA ") ) 6.000 6.000 0.000 peak 4130 weight 0.10000E+01 volume 0.58000E-01 ppm1 3.354 ppm2 4.200 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "63 " and name "HN ") ) 6.000 6.000 0.000 peak 4133 weight 0.10000E+01 volume 0.15300E+00 ppm1 3.358 ppm2 7.715 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "64 " and name "HN ") ) 6.000 6.000 0.000 peak 4134 weight 0.10000E+01 volume 0.88000E-01 ppm1 3.360 ppm2 8.108 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "62 " and name "HN ") ) 5.000 5.000 0.000 peak 4135 weight 0.10000E+01 volume 0.36700E+00 ppm1 3.358 ppm2 8.252 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "65 " and name "HN ") ) 6.000 6.000 0.000 peak 4136 weight 0.10000E+01 volume 0.18700E+00 ppm1 3.360 ppm2 8.529 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "66 " and name "HN ") ) 6.000 6.000 0.000 peak 4137 weight 0.10000E+01 volume 0.87000E-01 ppm1 3.359 ppm2 8.905 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "62 " and name "HB1 ") OR (segid " " and resid "59 " and name "HD1 ") ) 5.000 5.000 0.000 peak 8086 weight 0.10000E+01 volume 0.73300E+00 ppm1 3.783 ppm2 1.514 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "59 " and name "HB2 ") OR (segid " " and resid "59 " and name "HB1 ") ) 2.700 2.700 0.000 peak 8089 weight 0.10000E+01 volume 0.37100E+01 ppm1 3.784 ppm2 1.752 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 3996 weight 0.10000E+01 volume 0.10400E+00 ppm1 3.785 ppm2 6.172 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "59 " and name "HN ") ) 5.000 5.000 0.000 peak 3997 weight 0.10000E+01 volume 0.86800E+00 ppm1 3.784 ppm2 7.295 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "63 " and name "HN ") ) 6.000 6.000 0.000 peak 3998 weight 0.10000E+01 volume 0.14300E+00 ppm1 3.788 ppm2 7.712 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "47 " and name "HB2 ") OR (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 6.000 6.000 0.000 peak 2501 weight 0.10000E+01 volume 0.28900E+00 ppm1 5.442 ppm2 1.595 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "62 " and name "HA ") ) 6.000 6.000 0.000 peak 3994 weight 0.10000E+01 volume 0.81000E-01 ppm1 3.783 ppm2 3.379 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "61 " and name "HN ") ) 6.000 6.000 0.000 peak 3999 weight 0.10000E+01 volume 0.10000E+00 ppm1 3.781 ppm2 8.073 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "60 " and name "HN ") ) 5.000 5.000 0.000 peak 4001 weight 0.10000E+01 volume 0.37100E+00 ppm1 3.785 ppm2 8.686 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "24 " and name "HA ") ) 5.000 5.000 0.000 peak 3345 weight 0.10000E+01 volume 0.13490E+01 ppm1 5.445 ppm2 4.691 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 6.000 6.000 0.000 peak 8078 weight 0.10000E+01 volume 0.11100E+00 ppm1 3.787 ppm2 0.731 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "62 " and name "HN ") ) 5.000 5.000 0.000 peak 4000 weight 0.10000E+01 volume 0.33600E+00 ppm1 3.785 ppm2 8.254 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "26 " and name "HN ") OR (segid " " and resid "24 " and name "HN ") ) 5.000 5.000 0.000 peak 3351 weight 0.10000E+01 volume 0.31100E+00 ppm1 5.445 ppm2 7.689 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "25 " and name "HN ") ) 5.000 5.000 0.000 peak 3353 weight 0.10000E+01 volume 0.61500E+00 ppm1 5.445 ppm2 8.818 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "43 " and name "HN ") ) 5.000 5.000 0.000 peak 3352 weight 0.10000E+01 volume 0.47900E+00 ppm1 5.445 ppm2 8.953 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "47 " and name "HN ") ) 6.000 6.000 0.000 peak 3350 weight 0.10000E+01 volume 0.64000E-01 ppm1 5.446 ppm2 7.080 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "44 " and name "HN ") ) 5.000 5.000 0.000 peak 3354 weight 0.10000E+01 volume 0.11450E+01 ppm1 5.445 ppm2 8.651 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "45 " and name "HN ") ) 6.000 6.000 0.000 peak 3349 weight 0.10000E+01 volume 0.13400E+00 ppm1 5.441 ppm2 7.410 ASSI ( (segid " " and resid "10 " and name "HA ") )( (segid " " and resid "11 " and name "HB ") ) 6.000 6.000 0.000 peak 1805 weight 0.10000E+01 volume 0.23400E+00 ppm1 4.223 ppm2 3.912 ASSI ( (segid " " and resid "10 " and name "HA ") )( (segid " " and resid "11 " and name "HA ") OR (segid " " and resid "9 " and name "HA ") ) 5.000 5.000 0.000 peak 1806 weight 0.10000E+01 volume 0.31200E+00 ppm1 4.215 ppm2 4.485 ASSI ( (segid " " and resid "10 " and name "HA ") )( (segid " " and resid "10 " and name "HN ") ) 5.000 5.000 0.000 peak 1807 weight 0.10000E+01 volume 0.60000E+00 ppm1 4.223 ppm2 7.686 ASSI ( (segid " " and resid "10 " and name "HA ") )( (segid " " and resid "11 " and name "HN ") ) 3.300 3.300 0.000 peak 1808 weight 0.10000E+01 volume 0.27940E+01 ppm1 4.222 ppm2 8.200 ASSI ( (segid " " and resid "25 " and name "HA ") )( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") ) 5.000 5.000 0.000 peak 3504 weight 0.10000E+01 volume 0.12020E+01 ppm1 4.678 ppm2 0.744 ASSI ( (segid " " and resid "11 " and name "HA ") )( (segid " " and resid "34 " and name "HB2 ") OR (segid " " and resid "8 " and name "HB1 ") ) 5.000 5.000 0.000 peak 1877 weight 0.10000E+01 volume 0.61400E+00 ppm1 4.484 ppm2 2.975 ASSI ( (segid " " and resid "11 " and name "HA ") )( (segid " " and resid "35 " and name "HA1 ") ) 6.000 6.000 0.000 peak 3792 weight 0.10000E+01 volume 0.25600E+00 ppm1 4.485 ppm2 4.287 ASSI ( (segid " " and resid "11 " and name "HA ") )( (segid " " and resid "34 " and name "HA ") OR (segid " " and resid "12 " and name "HA ") ) 5.000 5.000 0.000 peak 2885 weight 0.10000E+01 volume 0.42400E+00 ppm1 4.485 ppm2 5.049 ASSI ( (segid " " and resid "11 " and name "HA ") )( (segid " " and resid "12 " and name "HN ") ) 3.300 3.300 0.000 peak 1881 weight 0.10000E+01 volume 0.27670E+01 ppm1 4.484 ppm2 8.198 ASSI ( (segid " " and resid "11 " and name "HA ") )( (segid " " and resid "35 " and name "HN ") ) 6.000 6.000 0.000 peak 2892 weight 0.10000E+01 volume 0.17100E+00 ppm1 4.485 ppm2 8.319 ASSI ( (segid " " and resid "6 " and name "HA ") )( (segid " " and resid "6 " and name "HN ") ) 3.300 3.300 0.000 peak 2869 weight 0.10000E+01 volume 0.16100E+01 ppm1 4.265 ppm2 8.329 ASSI ( (segid " " and resid "6 " and name "HA ") )( (segid " " and resid "7 " and name "HN ") ) 3.300 3.300 0.000 peak 1731 weight 0.10000E+01 volume 0.27520E+01 ppm1 4.260 ppm2 8.395 ASSI ( (segid " " and resid "73 " and name "HA ") )( (segid " " and resid "73 " and name "HN ") ) 5.000 5.000 0.000 peak 4416 weight 0.10000E+01 volume 0.80400E+00 ppm1 4.300 ppm2 7.869 ASSI ( (segid " " and resid "73 " and name "HA ") )( (segid " " and resid "74 " and name "HN ") ) 5.000 5.000 0.000 peak 4417 weight 0.10000E+01 volume 0.11950E+01 ppm1 4.298 ppm2 8.165 ASSI ( (segid " " and resid "5 " and name "HA ") )( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG22") OR (segid " " and resid "5 " and name "HG21") OR (segid " " and resid "5 " and name "HG13") OR (segid " " and resid "5 " and name "HG12") ) 5.000 5.000 0.000 peak 8884 weight 0.10000E+01 volume 0.93700E+00 ppm1 4.170 ppm2 0.884 ASSI ( (segid " " and resid "16 " and name "HA ") )( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2024 weight 0.10000E+01 volume 0.33300E+00 ppm1 4.466 ppm2 3.826 ASSI ( (segid " " and resid "16 " and name "HA ") )( (segid " " and resid "17 " and name "HN ") ) 3.300 3.300 0.000 peak 2028 weight 0.10000E+01 volume 0.29380E+01 ppm1 4.470 ppm2 7.781 ASSI ( (segid " " and resid "5 " and name "HA ") )( (segid " " and resid "6 " and name "HN ") ) 2.700 2.700 0.000 peak 1712 weight 0.10000E+01 volume 0.32910E+01 ppm1 4.170 ppm2 8.331 ASSI ( (segid " " and resid "16 " and name "HA ") )( (segid " " and resid "16 " and name "HN ") ) 5.000 5.000 0.000 peak 2029 weight 0.10000E+01 volume 0.52700E+00 ppm1 4.471 ppm2 9.060 ASSI ( (segid " " and resid "5 " and name "HA ") )( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") ) 6.000 6.000 0.000 peak 1709 weight 0.10000E+01 volume 0.14700E+00 ppm1 4.172 ppm2 1.129 ASSI ( (segid " " and resid "5 " and name "HA ") )( (segid " " and resid "5 " and name "HN ") ) 5.000 5.000 0.000 peak 1711 weight 0.10000E+01 volume 0.38700E+00 ppm1 4.169 ppm2 8.148 ASSI ( (segid " " and resid "33 " and name "HB1 ") )( (segid " " and resid "34 " and name "HN ") ) 6.000 6.000 0.000 peak 2877 weight 0.10000E+01 volume 0.17400E+00 ppm1 3.982 ppm2 7.639 ASSI ( (segid " " and resid "33 " and name "HB2 ") )( (segid " " and resid "34 " and name "HN ") ) 6.000 6.000 0.000 peak 2888 weight 0.10000E+01 volume 0.21400E+00 ppm1 3.899 ppm2 7.639 ASSI ( (segid " " and resid "33 " and name "HB2 ") )( (segid " " and resid "33 " and name "HN ") ) 5.000 5.000 0.000 peak 2889 weight 0.10000E+01 volume 0.73200E+00 ppm1 3.899 ppm2 8.059 ASSI ( (segid " " and resid "33 " and name "HB1 ") )( (segid " " and resid "33 " and name "HN ") ) 5.000 5.000 0.000 peak 2878 weight 0.10000E+01 volume 0.69200E+00 ppm1 3.981 ppm2 8.056 ASSI ( (segid " " and resid "33 " and name "HB2 ") )( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2879 weight 0.10000E+01 volume 0.16500E+00 ppm1 3.899 ppm2 1.421 ASSI ( (segid " " and resid "33 " and name "HB2 ") )( (segid " " and resid "34 " and name "HA ") ) 6.000 6.000 0.000 peak 2887 weight 0.10000E+01 volume 0.10500E+00 ppm1 3.899 ppm2 5.026 ASSI ( (segid " " and resid "33 " and name "HB1 ") )( (segid " " and resid "34 " and name "HA ") ) 6.000 6.000 0.000 peak 2876 weight 0.10000E+01 volume 0.12000E+00 ppm1 3.979 ppm2 5.016 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 2273 weight 0.10000E+01 volume 0.32000E+00 ppm1 4.117 ppm2 3.660 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "21 " and name "HN ") ) 2.700 2.700 0.000 peak 2276 weight 0.10000E+01 volume 0.36800E+01 ppm1 4.121 ppm2 8.045 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2277 weight 0.10000E+01 volume 0.30500E+00 ppm1 4.121 ppm2 8.441 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") OR (segid " " and resid "19 " and name "HG21") ) 5.000 5.000 0.000 peak 3554 weight 0.10000E+01 volume 0.34800E+00 ppm1 4.120 ppm2 0.734 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") OR (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 6.000 6.000 0.000 peak 3555 weight 0.10000E+01 volume 0.28200E+00 ppm1 4.118 ppm2 0.824 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "54 " and name "HN ") ) 5.000 5.000 0.000 peak 3711 weight 0.10000E+01 volume 0.40500E+00 ppm1 3.903 ppm2 8.205 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG21") ) 5.000 5.000 0.000 peak 3698 weight 0.10000E+01 volume 0.39900E+00 ppm1 3.906 ppm2 0.673 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "59 " and name "HG1 ") ) 6.000 6.000 0.000 peak 3015 weight 0.10000E+01 volume 0.20500E+00 ppm1 3.904 ppm2 1.391 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "58 " and name "HB ") OR (segid " " and resid "39 " and name "HB ") ) 5.000 5.000 0.000 peak 3701 weight 0.10000E+01 volume 0.10610E+01 ppm1 3.902 ppm2 1.708 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "58 " and name "HB ") OR (segid " " and resid "53 " and name "HG1 ") ) 3.300 3.300 0.000 peak 7862 weight 0.10000E+01 volume 0.15620E+01 ppm1 3.903 ppm2 1.752 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "58 " and name "HA ") ) 6.000 6.000 0.000 peak 3706 weight 0.10000E+01 volume 0.13600E+00 ppm1 3.905 ppm2 2.565 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "52 " and name "HA ") ) 6.000 6.000 0.000 peak 3048 weight 0.10000E+01 volume 0.98000E-01 ppm1 3.902 ppm2 4.776 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 3708 weight 0.10000E+01 volume 0.12300E+00 ppm1 3.903 ppm2 6.168 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "59 " and name "HN ") ) 6.000 6.000 0.000 peak 3709 weight 0.10000E+01 volume 0.97000E-01 ppm1 3.903 ppm2 7.293 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "55 " and name "HN ") ) 6.000 6.000 0.000 peak 3710 weight 0.10000E+01 volume 0.21700E+00 ppm1 3.904 ppm2 7.553 ASSI ( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") )( (segid " " and resid "13 " and name "HN ") ) 6.000 6.000 0.000 peak 1944 weight 0.10000E+01 volume 0.94000E-01 ppm1 3.823 ppm2 9.300 ASSI ( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") )( (segid " " and resid "14 " and name "HN ") ) 5.000 5.000 0.000 peak 1942 weight 0.10000E+01 volume 0.45100E+00 ppm1 3.825 ppm2 8.095 ASSI ( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") )( (segid " " and resid "12 " and name "HN ") OR (segid " " and resid "11 " and name "HN ") ) 6.000 6.000 0.000 peak 3832 weight 0.10000E+01 volume 0.12800E+00 ppm1 3.827 ppm2 8.213 ASSI ( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") OR (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") )( (segid " " and resid "19 " and name "HG11") OR (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") OR (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") ) 5.000 5.000 0.000 peak 1936 weight 0.10000E+01 volume 0.36200E+00 ppm1 3.822 ppm2 1.418 ASSI ( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") )( (segid " " and resid "12 " and name "HA ") ) 6.000 6.000 0.000 peak 1941 weight 0.10000E+01 volume 0.14100E+00 ppm1 3.824 ppm2 5.059 ASSI ( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") )( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") OR (segid " " and resid "14 " and name "HE2 ") OR (segid " " and resid "14 " and name "HE1 ") OR (segid " " and resid "12 " and name "HB2 ") ) 6.000 6.000 0.000 peak 1939 weight 0.10000E+01 volume 0.12300E+00 ppm1 3.820 ppm2 3.002 ASSI ( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") )( (segid " " and resid "18 " and name "HG2 ") ) 6.000 6.000 0.000 peak 3824 weight 0.10000E+01 volume 0.13200E+00 ppm1 3.815 ppm2 0.197 ASSI ( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") )( (segid " " and resid "17 " and name "HN ") ) 5.000 5.000 0.000 peak 2082 weight 0.10000E+01 volume 0.13330E+01 ppm1 3.813 ppm2 7.787 ASSI ( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") )( (segid " " and resid "18 " and name "HN ") ) 3.300 3.300 0.000 peak 2081 weight 0.10000E+01 volume 0.22640E+01 ppm1 3.810 ppm2 7.500 ASSI ( (segid " " and resid "21 " and name "HA ") )( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 5.000 5.000 0.000 peak 7002 weight 0.10000E+01 volume 0.12440E+01 ppm1 3.673 ppm2 0.747 ASSI ( (segid " " and resid "21 " and name "HA ") )( (segid " " and resid "24 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2358 weight 0.10000E+01 volume 0.47200E+00 ppm1 3.673 ppm2 1.292 ASSI ( (segid " " and resid "21 " and name "HA ") )( (segid " " and resid "23 " and name "HA ") OR (segid " " and resid "20 " and name "HA ") ) 5.000 5.000 0.000 peak 2362 weight 0.10000E+01 volume 0.36700E+00 ppm1 3.673 ppm2 4.139 ASSI ( (segid " " and resid "21 " and name "HA ") )( (segid " " and resid "24 " and name "HN ") OR (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2366 weight 0.10000E+01 volume 0.74000E+00 ppm1 3.672 ppm2 7.710 ASSI ( (segid " " and resid "21 " and name "HA ") )( (segid " " and resid "21 " and name "HN ") ) 5.000 5.000 0.000 peak 2365 weight 0.10000E+01 volume 0.10410E+01 ppm1 3.672 ppm2 8.043 ASSI ( (segid " " and resid "21 " and name "HA ") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 2367 weight 0.10000E+01 volume 0.38900E+00 ppm1 3.671 ppm2 8.435 ASSI ( (segid " " and resid "21 " and name "HA ") )( (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 2364 weight 0.10000E+01 volume 0.15200E+00 ppm1 3.672 ppm2 4.673 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") ) 6.000 6.000 0.000 peak 3074 weight 0.10000E+01 volume 0.23700E+00 ppm1 2.559 ppm2 0.735 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 6.000 6.000 0.000 peak 3916 weight 0.10000E+01 volume 0.24900E+00 ppm1 2.558 ppm2 0.840 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "39 " and name "HG11") OR (segid " " and resid "24 " and name "HB2 ") OR (segid " " and resid "19 " and name "HB ") ) 6.000 6.000 0.000 peak 3918 weight 0.10000E+01 volume 0.15800E+00 ppm1 2.558 ppm2 1.284 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "58 " and name "HN ") ) 5.000 5.000 0.000 peak 3926 weight 0.10000E+01 volume 0.86900E+00 ppm1 2.558 ppm2 6.174 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "57 " and name "HZ3 ") ) 6.000 6.000 0.000 peak 3927 weight 0.10000E+01 volume 0.11400E+00 ppm1 2.558 ppm2 6.680 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "59 " and name "HN ") ) 5.000 5.000 0.000 peak 3928 weight 0.10000E+01 volume 0.75200E+00 ppm1 2.557 ppm2 7.312 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "61 " and name "HN ") ) 5.000 5.000 0.000 peak 3929 weight 0.10000E+01 volume 0.54900E+00 ppm1 2.559 ppm2 8.069 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "60 " and name "HN ") ) 6.000 6.000 0.000 peak 3931 weight 0.10000E+01 volume 0.15400E+00 ppm1 2.560 ppm2 8.682 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "57 " and name "HA ") ) 6.000 6.000 0.000 peak 3925 weight 0.10000E+01 volume 0.64000E-01 ppm1 2.559 ppm2 4.471 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3917 weight 0.10000E+01 volume 0.17800E+00 ppm1 2.558 ppm2 1.073 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "59 " and name "HA ") ) 6.000 6.000 0.000 peak 3923 weight 0.10000E+01 volume 0.94000E-01 ppm1 2.561 ppm2 3.791 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "62 " and name "HN ") ) 6.000 6.000 0.000 peak 3930 weight 0.10000E+01 volume 0.15000E+00 ppm1 2.559 ppm2 8.246 ASSI ( (segid " " and resid "16 " and name "HB ") )( (segid " " and resid "49 " and name "HA ") ) 6.000 6.000 0.000 peak 2036 weight 0.10000E+01 volume 0.21100E+00 ppm1 4.293 ppm2 4.725 ASSI ( (segid " " and resid "16 " and name "HB ") )( (segid " " and resid "51 " and name "HA ") OR (segid " " and resid "15 " and name "HA ") ) 5.000 5.000 0.000 peak 2037 weight 0.10000E+01 volume 0.36600E+00 ppm1 4.292 ppm2 4.828 ASSI ( (segid " " and resid "16 " and name "HB ") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 5.000 5.000 0.000 peak 2038 weight 0.10000E+01 volume 0.76200E+00 ppm1 4.293 ppm2 7.156 ASSI ( (segid " " and resid "16 " and name "HB ") )( (segid " " and resid "17 " and name "HN ") ) 5.000 5.000 0.000 peak 2040 weight 0.10000E+01 volume 0.44000E+00 ppm1 4.295 ppm2 7.780 ASSI ( (segid " " and resid "16 " and name "HB ") )( (segid " " and resid "16 " and name "HN ") ) 5.000 5.000 0.000 peak 2041 weight 0.10000E+01 volume 0.99000E+00 ppm1 4.293 ppm2 9.066 ASSI ( (segid " " and resid "16 " and name "HB ") )( (segid " " and resid "50 " and name "HN ") ) 6.000 6.000 0.000 peak 2042 weight 0.10000E+01 volume 0.21000E+00 ppm1 4.292 ppm2 9.216 ASSI ( (segid " " and resid "11 " and name "HB ") )( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") ) 6.000 6.000 0.000 peak 2899 weight 0.10000E+01 volume 0.12100E+00 ppm1 3.901 ppm2 1.132 ASSI ( (segid " " and resid "11 " and name "HB ") )( (segid " " and resid "11 " and name "HN ") ) 3.300 3.300 0.000 peak 1889 weight 0.10000E+01 volume 0.18200E+01 ppm1 3.901 ppm2 8.200 ASSI ( (segid " " and resid "11 " and name "HB ") )( (segid " " and resid "8 " and name "HA ") ) 6.000 6.000 0.000 peak 1890 weight 0.10000E+01 volume 0.69000E-01 ppm1 3.901 ppm2 4.622 ASSI ( (segid " " and resid "73 " and name "HB ") )( (segid " " and resid "73 " and name "HN ") ) 5.000 5.000 0.000 peak 4421 weight 0.10000E+01 volume 0.62500E+00 ppm1 4.224 ppm2 7.863 ASSI ( (segid " " and resid "73 " and name "HB ") )( (segid " " and resid "74 " and name "HN ") ) 5.000 5.000 0.000 peak 4420 weight 0.10000E+01 volume 0.34600E+00 ppm1 4.224 ppm2 8.175 ASSI ( (segid " " and resid "6 " and name "HB ") )( (segid " " and resid "7 " and name "HN ") OR (segid " " and resid "6 " and name "HN ") ) 5.000 5.000 0.000 peak 1735 weight 0.10000E+01 volume 0.12260E+01 ppm1 4.054 ppm2 8.359 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") OR (segid " " and resid "25 " and name "HB ") ) 5.000 5.000 0.000 peak 2678 weight 0.10000E+01 volume 0.55500E+00 ppm1 5.442 ppm2 1.768 ASSI ( (segid " " and resid "43 " and name "HB ") )( (segid " " and resid "44 " and name "HN ") ) 5.000 5.000 0.000 peak 4547 weight 0.10000E+01 volume 0.12280E+01 ppm1 4.860 ppm2 8.655 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 3072 weight 0.10000E+01 volume 0.92300E+00 ppm1 0.663 ppm2 0.223 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") OR (segid " " and resid "53 " and name "HG1 ") ) 3.300 3.300 0.000 peak 7413 weight 0.10000E+01 volume 0.27950E+01 ppm1 0.663 ppm2 1.752 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "62 " and name "HB2 ") OR (segid " " and resid "53 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3082 weight 0.10000E+01 volume 0.65100E+00 ppm1 0.662 ppm2 1.890 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "53 " and name "HB1 ") OR (segid " " and resid "29 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3083 weight 0.10000E+01 volume 0.14770E+01 ppm1 0.664 ppm2 2.018 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "29 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3085 weight 0.10000E+01 volume 0.52900E+00 ppm1 0.663 ppm2 2.163 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "58 " and name "HA ") OR (segid " " and resid "27 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3088 weight 0.10000E+01 volume 0.22800E+00 ppm1 0.661 ppm2 2.576 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "30 " and name "HB1 ") OR (segid " " and resid "27 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3089 weight 0.10000E+01 volume 0.30800E+00 ppm1 0.662 ppm2 2.832 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "53 " and name "HA ") ) 5.000 5.000 0.000 peak 3091 weight 0.10000E+01 volume 0.40200E+00 ppm1 0.663 ppm2 3.913 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "53 " and name "HD1 ") ) 6.000 6.000 0.000 peak 3090 weight 0.10000E+01 volume 0.27400E+00 ppm1 0.663 ppm2 4.049 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "38 " and name "HA ") ) 6.000 6.000 0.000 peak 1832 weight 0.10000E+01 volume 0.21100E+00 ppm1 0.663 ppm2 4.630 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "27 " and name "HA ") ) 6.000 6.000 0.000 peak 3095 weight 0.10000E+01 volume 0.83000E-01 ppm1 0.665 ppm2 5.912 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "29 " and name "HE22") ) 5.000 5.000 0.000 peak 3096 weight 0.10000E+01 volume 0.92100E+00 ppm1 0.663 ppm2 6.711 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 5.000 5.000 0.000 peak 3097 weight 0.10000E+01 volume 0.31000E+00 ppm1 0.662 ppm2 6.818 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "29 " and name "HE21") ) 6.000 6.000 0.000 peak 3098 weight 0.10000E+01 volume 0.17000E+00 ppm1 0.665 ppm2 7.611 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "38 " and name "HN ") ) 6.000 6.000 0.000 peak 3099 weight 0.10000E+01 volume 0.81000E-01 ppm1 0.664 ppm2 7.806 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "30 " and name "HN ") OR (segid " " and resid "28 " and name "HN ") ) 5.000 5.000 0.000 peak 3100 weight 0.10000E+01 volume 0.54600E+00 ppm1 0.662 ppm2 8.685 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "39 " and name "HN ") OR (segid " " and resid "29 " and name "HN ") ) 5.000 5.000 0.000 peak 3101 weight 0.10000E+01 volume 0.53100E+00 ppm1 0.665 ppm2 9.051 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "40 " and name "HN ") ) 5.000 5.000 0.000 peak 3102 weight 0.10000E+01 volume 0.53400E+00 ppm1 0.665 ppm2 9.347 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "57 " and name "HH2 ") ) 3.300 3.300 0.000 peak 8029 weight 0.10000E+01 volume 0.16300E+01 ppm1 7.324 ppm2 6.576 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7835 weight 0.10000E+01 volume 0.59700E+00 ppm1 7.322 ppm2 1.088 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "18 " and name "HA ") ) 6.000 6.000 0.000 peak 6842 weight 0.10000E+01 volume -0.25900E+00 ppm1 7.322 ppm2 0.669 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 6.000 6.000 0.000 peak 7545 weight 0.10000E+01 volume 0.26600E+00 ppm1 7.323 ppm2 0.854 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 5.000 5.000 0.000 peak 6818 weight 0.10000E+01 volume 0.12820E+01 ppm1 7.326 ppm2 1.400 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 5.000 5.000 0.000 peak 2334 weight 0.10000E+01 volume 0.45800E+00 ppm1 7.326 ppm2 -0.836 ASSI ( (segid " " and resid "57 " and name "HZ2 ") )( (segid " " and resid "57 " and name "HZ3 ") ) 5.000 5.000 0.000 peak 8013 weight 0.10000E+01 volume 0.52000E+00 ppm1 7.320 ppm2 6.666 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "27 " and name "HB2 ") ) 6.000 6.000 0.000 peak 7223 weight 0.10000E+01 volume -0.22000E+00 ppm1 6.812 ppm2 2.847 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "62 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8188 weight 0.10000E+01 volume -0.22100E+00 ppm1 6.814 ppm2 1.500 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 2.700 2.700 0.000 peak 7251 weight 0.10000E+01 volume 0.83350E+01 ppm1 6.822 ppm2 6.711 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") ) 5.000 5.000 0.000 peak 8222 weight 0.10000E+01 volume 0.86000E+00 ppm1 6.820 ppm2 1.759 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 8650 weight 0.10000E+01 volume 0.77200E+00 ppm1 6.818 ppm2 3.380 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") ) 5.000 5.000 0.000 peak 8293 weight 0.10000E+01 volume 0.71100E+00 ppm1 6.819 ppm2 0.824 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "62 " and name "HG2 ") ) 5.000 5.000 0.000 peak 8210 weight 0.10000E+01 volume 0.31300E+00 ppm1 6.817 ppm2 0.433 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "65 " and name "HB2 ") ) 5.000 5.000 0.000 peak 8271 weight 0.10000E+01 volume -0.50100E+00 ppm1 6.821 ppm2 2.115 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 6.000 6.000 0.000 peak 7426 weight 0.10000E+01 volume 0.28000E+00 ppm1 6.814 ppm2 0.649 ASSI ( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") )( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 5.000 5.000 0.000 peak 7179 weight 0.10000E+01 volume 0.41200E+00 ppm1 6.814 ppm2 0.739 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "64 " and name "HB2 ") OR (segid " " and resid "64 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8252 weight 0.10000E+01 volume 0.34100E+00 ppm1 6.942 ppm2 3.330 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 5.000 5.000 0.000 peak 8305 weight 0.10000E+01 volume 0.89800E+00 ppm1 6.944 ppm2 0.758 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "65 " and name "HG ") ) 5.000 5.000 0.000 peak 8282 weight 0.10000E+01 volume 0.41400E+00 ppm1 6.943 ppm2 1.895 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 8537 weight 0.10000E+01 volume 0.94300E+00 ppm1 6.942 ppm2 0.803 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "57 " and name "HH2 ") ) 3.300 3.300 0.000 peak 8028 weight 0.10000E+01 volume 0.21960E+01 ppm1 6.667 ppm2 6.572 ASSI ( (segid " " and resid "64 " and name "HD2 ") )( (segid " " and resid "65 " and name "HA ") ) 6.000 6.000 0.000 peak 8263 weight 0.10000E+01 volume -0.19500E+00 ppm1 6.940 ppm2 4.022 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 7544 weight 0.10000E+01 volume 0.89500E+00 ppm1 6.667 ppm2 0.853 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "18 " and name "HA ") ) 6.000 6.000 0.000 peak 8484 weight 0.10000E+01 volume -0.23600E+00 ppm1 6.668 ppm2 0.659 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 7127 weight 0.10000E+01 volume 0.85000E+00 ppm1 6.666 ppm2 0.993 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "57 " and name "HE3 ") ) 3.300 3.300 0.000 peak 7989 weight 0.10000E+01 volume 0.19240E+01 ppm1 6.667 ppm2 7.332 ASSI ( (segid " " and resid "57 " and name "HZ3 ") )( (segid " " and resid "19 " and name "HB ") ) 5.000 5.000 0.000 peak 6910 weight 0.10000E+01 volume -0.48100E+00 ppm1 6.665 ppm2 1.291 ASSI ( (segid " " and resid "46 " and name "HD2 ") )( (segid " " and resid "46 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7682 weight 0.10000E+01 volume 0.29900E+00 ppm1 7.176 ppm2 3.319 ASSI ( (segid " " and resid "46 " and name "HD2 ") )( (segid " " and resid "46 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7671 weight 0.10000E+01 volume 0.44400E+00 ppm1 7.173 ppm2 3.599 ASSI ( (segid " " and resid "26 " and name "HD2 ") )( (segid " " and resid "26 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7201 weight 0.10000E+01 volume 0.52500E+00 ppm1 7.305 ppm2 3.372 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 6.000 6.000 0.000 peak 7546 weight 0.10000E+01 volume 0.21600E+00 ppm1 7.326 ppm2 0.859 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "57 " and name "HH2 ") ) 6.000 6.000 0.000 peak 8030 weight 0.10000E+01 volume 0.29200E+00 ppm1 7.327 ppm2 6.558 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "58 " and name "HA ") ) 5.000 5.000 0.000 peak 8040 weight 0.10000E+01 volume 0.41100E+00 ppm1 7.327 ppm2 2.551 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "57 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7973 weight 0.10000E+01 volume 0.47500E+00 ppm1 7.324 ppm2 3.196 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8175 weight 0.10000E+01 volume 0.34400E+00 ppm1 7.328 ppm2 1.428 ASSI ( (segid " " and resid "57 " and name "HE3 ") )( (segid " " and resid "57 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7967 weight 0.10000E+01 volume 0.90900E+00 ppm1 7.326 ppm2 3.499 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 5.000 5.000 0.000 peak 6817 weight 0.10000E+01 volume 0.69200E+00 ppm1 6.573 ppm2 1.400 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "18 " and name "HA ") ) 6.000 6.000 0.000 peak 8483 weight 0.10000E+01 volume -0.25400E+00 ppm1 6.571 ppm2 0.675 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 7543 weight 0.10000E+01 volume 0.54000E+00 ppm1 6.573 ppm2 0.856 ASSI ( (segid " " and resid "57 " and name "HH2 ") )( (segid " " and resid "19 " and name "HB ") ) 6.000 6.000 0.000 peak 6909 weight 0.10000E+01 volume -0.19900E+00 ppm1 6.569 ppm2 1.294 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "55 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7919 weight 0.10000E+01 volume 0.73300E+00 ppm1 7.631 ppm2 1.967 ASSI ( (segid " " and resid "57 " and name "HD1 ") )( (segid " " and resid "57 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7974 weight 0.10000E+01 volume 0.40300E+00 ppm1 7.623 ppm2 3.233 ASSI ( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") )( (segid " " and resid "47 " and name "HB2 ") ) 6.000 6.000 0.000 peak 7707 weight 0.10000E+01 volume 0.26900E+00 ppm1 7.222 ppm2 1.648 ASSI ( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 7617 weight 0.10000E+01 volume 0.82500E+00 ppm1 7.224 ppm2 1.348 ASSI ( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 2.700 2.700 0.000 peak 8660 weight 0.10000E+01 volume 0.92770E+01 ppm1 7.223 ppm2 7.146 ASSI ( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 7616 weight 0.10000E+01 volume 0.35000E+00 ppm1 7.140 ppm2 1.355 ASSI ( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") )( (segid " " and resid "49 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7785 weight 0.10000E+01 volume -0.50600E+00 ppm1 7.143 ppm2 3.103 ASSI ( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") )( (segid " " and resid "49 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7792 weight 0.10000E+01 volume -0.41700E+00 ppm1 7.134 ppm2 2.563 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "28 " and name "HA ") ) 5.000 5.000 0.000 peak 2721 weight 0.10000E+01 volume -0.40100E+00 ppm1 6.706 ppm2 4.459 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") ) 3.300 3.300 0.000 peak 8292 weight 0.10000E+01 volume 0.16330E+01 ppm1 6.709 ppm2 0.824 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") ) 5.000 5.000 0.000 peak 7570 weight 0.10000E+01 volume 0.58100E+00 ppm1 6.708 ppm2 0.739 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "27 " and name "HA ") ) 5.000 5.000 0.000 peak 7215 weight 0.10000E+01 volume -0.38300E+00 ppm1 6.711 ppm2 5.909 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 5.000 5.000 0.000 peak 7178 weight 0.10000E+01 volume 0.95400E+00 ppm1 6.706 ppm2 0.709 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "27 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7222 weight 0.10000E+01 volume -0.70800E+00 ppm1 6.708 ppm2 2.844 ASSI ( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") )( (segid " " and resid "27 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7230 weight 0.10000E+01 volume -0.81800E+00 ppm1 6.707 ppm2 2.556 ASSI ( (segid " " and resid "46 " and name "HE1 ") )( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") ) 5.000 5.000 0.000 peak 7187 weight 0.10000E+01 volume 0.48300E+00 ppm1 8.466 ppm2 0.705 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "40 " and name "HG11") ) 5.000 5.000 0.000 peak 7456 weight 0.10000E+01 volume 0.98500E+00 ppm1 0.749 ppm2 1.377 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "40 " and name "HG12") ) 3.300 3.300 0.000 peak 7461 weight 0.10000E+01 volume 0.16600E+01 ppm1 0.749 ppm2 1.237 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "40 " and name "HA ") ) 5.000 5.000 0.000 peak 7441 weight 0.10000E+01 volume -0.87000E+00 ppm1 0.751 ppm2 4.918 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "30 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7291 weight 0.10000E+01 volume -0.46500E+00 ppm1 0.752 ppm2 2.820 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "40 " and name "HB ") ) 5.000 5.000 0.000 peak 7449 weight 0.10000E+01 volume -0.64800E+00 ppm1 0.751 ppm2 1.975 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "30 " and name "HA ") ) 5.000 5.000 0.000 peak 3459 weight 0.10000E+01 volume -0.58600E+00 ppm1 0.750 ppm2 4.734 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "30 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7286 weight 0.10000E+01 volume -0.36400E+00 ppm1 0.752 ppm2 2.702 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7370 weight 0.10000E+01 volume 0.58800E+00 ppm1 0.747 ppm2 1.370 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "50 " and name "HA ") ) 5.000 5.000 0.000 peak 7793 weight 0.10000E+01 volume -0.38500E+00 ppm1 0.752 ppm2 5.115 ASSI ( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") )( (segid " " and resid "50 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7806 weight 0.10000E+01 volume -0.11500E+00 ppm1 0.749 ppm2 2.533 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "19 " and name "HG12") ) 3.300 3.300 0.000 peak 6918 weight 0.10000E+01 volume 0.15880E+01 ppm1 0.249 ppm2 0.531 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7817 weight 0.10000E+01 volume 0.15400E+00 ppm1 0.244 ppm2 1.074 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "57 " and name "HZ3 ") ) 6.000 6.000 0.000 peak 7998 weight 0.10000E+01 volume 0.15700E+00 ppm1 0.248 ppm2 6.664 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "41 " and name "HB2 ") ) 6.000 6.000 0.000 peak 7507 weight 0.10000E+01 volume -0.13300E+00 ppm1 0.249 ppm2 1.815 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") ) 5.000 5.000 0.000 peak 2381 weight 0.10000E+01 volume 0.92000E+00 ppm1 0.245 ppm2 0.797 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "41 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7515 weight 0.10000E+01 volume -0.76000E-01 ppm1 0.247 ppm2 1.490 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 7529 weight 0.10000E+01 volume 0.67200E+00 ppm1 0.247 ppm2 0.847 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "19 " and name "HG11") ) 5.000 5.000 0.000 peak 2802 weight 0.10000E+01 volume 0.14440E+01 ppm1 0.251 ppm2 1.463 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 7604 weight 0.10000E+01 volume 0.61800E+00 ppm1 0.248 ppm2 1.355 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 5.000 5.000 0.000 peak 1933 weight 0.10000E+01 volume 0.57300E+00 ppm1 0.248 ppm2 7.144 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "19 " and name "HB ") ) 5.000 5.000 0.000 peak 6896 weight 0.10000E+01 volume -0.10960E+01 ppm1 0.250 ppm2 1.319 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "19 " and name "HA ") ) 5.000 5.000 0.000 peak 6886 weight 0.10000E+01 volume -0.30200E+00 ppm1 0.248 ppm2 4.143 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 6.000 6.000 0.000 peak 7114 weight 0.10000E+01 volume 0.22300E+00 ppm1 0.246 ppm2 0.993 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 5.000 5.000 0.000 peak 6804 weight 0.10000E+01 volume 0.71100E+00 ppm1 0.248 ppm2 1.407 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 3.300 3.300 0.000 peak 6926 weight 0.10000E+01 volume 0.17270E+01 ppm1 0.251 ppm2 0.745 ASSI ( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") )( (segid " " and resid "57 " and name "HH2 ") ) 5.000 5.000 0.000 peak 8015 weight 0.10000E+01 volume 0.32200E+00 ppm1 0.250 ppm2 6.572 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7195 weight 0.10000E+01 volume 0.12900E+00 ppm1 0.701 ppm2 3.366 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "44 " and name "HA ") ) 5.000 5.000 0.000 peak 7620 weight 0.10000E+01 volume -0.13660E+01 ppm1 0.701 ppm2 3.776 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7627 weight 0.10000E+01 volume 0.21600E+00 ppm1 0.705 ppm2 1.783 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "25 " and name "HA ") ) 6.000 6.000 0.000 peak 1713 weight 0.10000E+01 volume 0.28400E+00 ppm1 0.698 ppm2 4.685 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "25 " and name "HG11") ) 3.300 3.300 0.000 peak 7154 weight 0.10000E+01 volume 0.15180E+01 ppm1 0.698 ppm2 1.072 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "42 " and name "HG1 ") ) 5.000 5.000 0.000 peak 7579 weight 0.10000E+01 volume -0.46900E+00 ppm1 0.697 ppm2 2.721 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "46 " and name "HA ") ) 6.000 6.000 0.000 peak 3363 weight 0.10000E+01 volume -0.18100E+00 ppm1 0.701 ppm2 4.426 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "26 " and name "HD2 ") ) 5.000 5.000 0.000 peak 7205 weight 0.10000E+01 volume 0.37600E+00 ppm1 0.705 ppm2 7.308 ASSI ( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") )( (segid " " and resid "42 " and name "HG2 ") ) 6.000 6.000 0.000 peak 7586 weight 0.10000E+01 volume -0.24300E+00 ppm1 0.701 ppm2 2.094 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "10 " and name "HB ") ) 5.000 5.000 0.000 peak 6641 weight 0.10000E+01 volume -0.70400E+00 ppm1 0.751 ppm2 1.729 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "10 " and name "HG12") ) 3.300 3.300 0.000 peak 6651 weight 0.10000E+01 volume 0.19720E+01 ppm1 0.752 ppm2 0.831 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "48 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7742 weight 0.10000E+01 volume -0.34000E+00 ppm1 0.753 ppm2 1.571 ASSI ( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") )( (segid " " and resid "49 " and name "HA ") ) 6.000 6.000 0.000 peak 3406 weight 0.10000E+01 volume -0.21200E+00 ppm1 0.753 ppm2 4.694 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "62 " and name "HG2 ") ) 5.000 5.000 0.000 peak 8204 weight 0.10000E+01 volume 0.38800E+00 ppm1 1.754 ppm2 0.433 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "62 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8193 weight 0.10000E+01 volume 0.38000E+00 ppm1 1.752 ppm2 2.031 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "39 " and name "HG11") ) 5.000 5.000 0.000 peak 3108 weight 0.10000E+01 volume 0.33100E+00 ppm1 1.755 ppm2 1.268 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "62 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8183 weight 0.10000E+01 volume -0.44600E+00 ppm1 1.751 ppm2 1.516 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 7412 weight 0.10000E+01 volume 0.73100E+00 ppm1 1.752 ppm2 0.681 ASSI ( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 8061 weight 0.10000E+01 volume 0.55800E+00 ppm1 1.752 ppm2 0.216 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "10 " and name "HB ") ) 3.300 3.300 0.000 peak 6640 weight 0.10000E+01 volume -0.18730E+01 ppm1 0.714 ppm2 1.728 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") ) 6.000 6.000 0.000 peak 6770 weight 0.10000E+01 volume -0.27000E+00 ppm1 0.723 ppm2 2.714 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "10 " and name "HG11") ) 5.000 5.000 0.000 peak 3689 weight 0.10000E+01 volume 0.88000E+00 ppm1 0.716 ppm2 1.454 ASSI ( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") )( (segid " " and resid "10 " and name "HA ") ) 5.000 5.000 0.000 peak 6634 weight 0.10000E+01 volume 0.65400E+00 ppm1 0.719 ppm2 4.227 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "19 " and name "HB ") ) 3.300 3.300 0.000 peak 6898 weight 0.10000E+01 volume -0.16580E+01 ppm1 0.750 ppm2 1.316 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "21 " and name "HA ") ) 6.000 6.000 0.000 peak 7001 weight 0.10000E+01 volume 0.18000E+00 ppm1 0.748 ppm2 3.693 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 7115 weight 0.10000E+01 volume 0.36600E+00 ppm1 0.747 ppm2 0.993 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "20 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3865 weight 0.10000E+01 volume 0.14800E+00 ppm1 0.745 ppm2 2.274 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "23 " and name "HB2 ") ) 5.000 5.000 0.000 peak 3397 weight 0.10000E+01 volume -0.10750E+01 ppm1 0.749 ppm2 1.705 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "20 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7661 weight 0.10000E+01 volume -0.70200E+00 ppm1 0.742 ppm2 3.603 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 7605 weight 0.10000E+01 volume 0.81900E+00 ppm1 0.743 ppm2 1.355 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "19 " and name "HG12") ) 5.000 5.000 0.000 peak 3822 weight 0.10000E+01 volume 0.71700E+00 ppm1 0.750 ppm2 0.531 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "20 " and name "HD2 ") ) 5.000 5.000 0.000 peak 7672 weight 0.10000E+01 volume -0.12570E+01 ppm1 0.743 ppm2 3.444 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "24 " and name "HG ") ) 5.000 5.000 0.000 peak 7106 weight 0.10000E+01 volume 0.36100E+00 ppm1 0.743 ppm2 1.916 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "19 " and name "HG11") ) 5.000 5.000 0.000 peak 3820 weight 0.10000E+01 volume 0.62000E+00 ppm1 0.751 ppm2 1.463 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "19 " and name "HA ") ) 5.000 5.000 0.000 peak 6888 weight 0.10000E+01 volume -0.11440E+01 ppm1 0.748 ppm2 4.143 ASSI ( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") )( (segid " " and resid "20 " and name "HG1 ") ) 6.000 6.000 0.000 peak 6983 weight 0.10000E+01 volume 0.25000E+00 ppm1 0.747 ppm2 1.978 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 2016 weight 0.10000E+01 volume 0.22800E+00 ppm1 1.422 ppm2 -0.844 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "64 " and name "HB2 ") OR (segid " " and resid "64 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8248 weight 0.10000E+01 volume 0.24400E+00 ppm1 1.421 ppm2 3.321 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 3.300 3.300 0.000 peak 2354 weight 0.10000E+01 volume 0.15950E+01 ppm1 1.421 ppm2 0.994 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 3556 weight 0.10000E+01 volume 0.11540E+01 ppm1 1.421 ppm2 0.804 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "61 " and name "HA ") ) 3.300 3.300 0.000 peak 8150 weight 0.10000E+01 volume -0.25580E+01 ppm1 1.420 ppm2 4.007 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 8059 weight 0.10000E+01 volume 0.13800E+00 ppm1 1.422 ppm2 0.223 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "21 " and name "HA ") ) 6.000 6.000 0.000 peak 7008 weight 0.10000E+01 volume 0.10500E+00 ppm1 1.417 ppm2 3.694 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 5.000 5.000 0.000 peak 3567 weight 0.10000E+01 volume 0.31400E+00 ppm1 1.423 ppm2 0.717 ASSI ( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") )( (segid " " and resid "62 " and name "HG2 ") ) 6.000 6.000 0.000 peak 8203 weight 0.10000E+01 volume 0.32000E-01 ppm1 1.422 ppm2 0.433 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7637 weight 0.10000E+01 volume -0.28600E+00 ppm1 0.724 ppm2 3.190 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "25 " and name "HB ") ) 3.300 3.300 0.000 peak 7150 weight 0.10000E+01 volume -0.20610E+01 ppm1 0.735 ppm2 1.770 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "25 " and name "HG12") ) 5.000 5.000 0.000 peak 8564 weight 0.10000E+01 volume 0.73100E+00 ppm1 0.728 ppm2 0.620 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 5.000 5.000 0.000 peak 7630 weight 0.10000E+01 volume 0.98500E+00 ppm1 0.725 ppm2 1.578 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "44 " and name "HA ") ) 3.300 3.300 0.000 peak 7619 weight 0.10000E+01 volume -0.17160E+01 ppm1 0.727 ppm2 3.776 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 8052 weight 0.10000E+01 volume 0.79100E+00 ppm1 0.720 ppm2 0.216 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "44 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7626 weight 0.10000E+01 volume 0.84800E+00 ppm1 0.726 ppm2 1.783 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "25 " and name "HA ") ) 3.300 3.300 0.000 peak 1708 weight 0.10000E+01 volume 0.15780E+01 ppm1 0.729 ppm2 4.685 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "27 " and name "HA ") ) 5.000 5.000 0.000 peak 7209 weight 0.10000E+01 volume -0.35900E+00 ppm1 0.720 ppm2 5.903 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "62 " and name "HG2 ") ) 6.000 6.000 0.000 peak 8199 weight 0.10000E+01 volume 0.15600E+00 ppm1 0.720 ppm2 0.433 ASSI ( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") )( (segid " " and resid "25 " and name "HG11") ) 5.000 5.000 0.000 peak 7155 weight 0.10000E+01 volume 0.83500E+00 ppm1 0.729 ppm2 1.072 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") ) 5.000 5.000 0.000 peak 7428 weight 0.10000E+01 volume 0.12780E+01 ppm1 0.719 ppm2 1.267 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2569 weight 0.10000E+01 volume 0.45300E+00 ppm1 0.717 ppm2 1.080 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "27 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7224 weight 0.10000E+01 volume -0.31800E+00 ppm1 0.720 ppm2 2.556 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "62 " and name "HG1 ") ) 6.000 6.000 0.000 peak 8191 weight 0.10000E+01 volume 0.17700E+00 ppm1 0.718 ppm2 2.031 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "53 " and name "HA ") ) 6.000 6.000 0.000 peak 3030 weight 0.10000E+01 volume 0.40000E-01 ppm1 0.717 ppm2 3.909 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "39 " and name "HB ") ) 5.000 5.000 0.000 peak 7396 weight 0.10000E+01 volume -0.64000E+00 ppm1 0.719 ppm2 1.696 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "41 " and name "HA ") ) 6.000 6.000 0.000 peak 7493 weight 0.10000E+01 volume -0.12300E+00 ppm1 0.722 ppm2 4.975 ASSI ( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") )( (segid " " and resid "27 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7216 weight 0.10000E+01 volume -0.47500E+00 ppm1 0.719 ppm2 2.823 ASSI ( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") )( (segid " " and resid "31 " and name "HA ") ) 5.000 5.000 0.000 peak 7292 weight 0.10000E+01 volume -0.54800E+00 ppm1 1.416 ppm2 4.242 ASSI ( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") )( (segid " " and resid "33 " and name "HA ") ) 6.000 6.000 0.000 peak 3651 weight 0.10000E+01 volume -0.16600E+00 ppm1 1.414 ppm2 4.351 ASSI ( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "20 " and name "HB1 ") ) 6.000 6.000 0.000 peak 6963 weight 0.10000E+01 volume 0.19400E+00 ppm1 1.342 ppm2 2.274 ASSI ( (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "69 " and name "HB2 ") OR (segid " " and resid "69 " and name "HB1 ") )( (segid " " and resid "69 " and name "HA ") ) 2.700 2.700 0.000 peak 8350 weight 0.10000E+01 volume -0.42910E+01 ppm1 1.514 ppm2 4.220 ASSI ( (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "69 " and name "HB2 ") OR (segid " " and resid "69 " and name "HB1 ") )( (segid " " and resid "66 " and name "HA ") ) 5.000 5.000 0.000 peak 3180 weight 0.10000E+01 volume -0.47800E+00 ppm1 1.516 ppm2 4.526 ASSI ( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") )( (segid " " and resid "32 " and name "HA ") ) 2.700 2.700 0.000 peak 3656 weight 0.10000E+01 volume -0.44500E+01 ppm1 1.414 ppm2 4.099 ASSI ( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 6.000 6.000 0.000 peak 3949 weight 0.10000E+01 volume 0.22100E+00 ppm1 1.341 ppm2 0.717 ASSI ( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") )( (segid " " and resid "33 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3655 weight 0.10000E+01 volume 0.18700E+00 ppm1 1.415 ppm2 3.954 ASSI ( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "23 " and name "HA ") ) 2.700 2.700 0.000 peak 7043 weight 0.10000E+01 volume -0.50910E+01 ppm1 1.338 ppm2 4.168 ASSI ( (segid " " and resid "70 " and name "HB3 ") OR (segid " " and resid "70 " and name "HB2 ") OR (segid " " and resid "70 " and name "HB1 ") )( (segid " " and resid "67 " and name "HA ") ) 5.000 5.000 0.000 peak 8315 weight 0.10000E+01 volume -0.10990E+01 ppm1 1.431 ppm2 4.117 ASSI ( (segid " " and resid "71 " and name "HB3 ") OR (segid " " and resid "71 " and name "HB2 ") OR (segid " " and resid "71 " and name "HB1 ") OR (segid " " and resid "70 " and name "HB3 ") OR (segid " " and resid "70 " and name "HB2 ") )( (segid " " and resid "71 " and name "HA ") OR (segid " " and resid "70 " and name "HA ") ) 2.700 2.700 0.000 peak 8353 weight 0.10000E+01 volume -0.95610E+01 ppm1 1.432 ppm2 4.212 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "40 " and name "HG12") ) 5.000 5.000 0.000 peak 7462 weight 0.10000E+01 volume 0.90200E+00 ppm1 0.831 ppm2 1.237 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "50 " and name "HA ") ) 6.000 6.000 0.000 peak 7794 weight 0.10000E+01 volume -0.10300E+00 ppm1 0.833 ppm2 5.115 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "40 " and name "HG11") ) 5.000 5.000 0.000 peak 7457 weight 0.10000E+01 volume 0.64300E+00 ppm1 0.832 ppm2 1.377 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "41 " and name "HA ") ) 6.000 6.000 0.000 peak 7495 weight 0.10000E+01 volume -0.19400E+00 ppm1 0.835 ppm2 4.976 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "40 " and name "HA ") ) 5.000 5.000 0.000 peak 7442 weight 0.10000E+01 volume -0.61000E+00 ppm1 0.831 ppm2 4.918 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") ) 5.000 5.000 0.000 peak 7479 weight 0.10000E+01 volume 0.95400E+00 ppm1 0.835 ppm2 0.747 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "48 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2442 weight 0.10000E+01 volume -0.34500E+00 ppm1 0.829 ppm2 1.572 ASSI ( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") )( (segid " " and resid "48 " and name "HA ") ) 6.000 6.000 0.000 peak 7727 weight 0.10000E+01 volume -0.21400E+00 ppm1 0.832 ppm2 5.462 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "14 " and name "HD2 ") OR (segid " " and resid "14 " and name "HD1 ") ) 5.000 5.000 0.000 peak 6713 weight 0.10000E+01 volume 0.37000E+00 ppm1 1.922 ppm2 1.703 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "36 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7341 weight 0.10000E+01 volume -0.68700E+00 ppm1 1.921 ppm2 1.351 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "12 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6687 weight 0.10000E+01 volume -0.48100E+00 ppm1 1.920 ppm2 2.626 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") ) 5.000 5.000 0.000 peak 7352 weight 0.10000E+01 volume -0.42600E+00 ppm1 1.921 ppm2 2.989 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "15 " and name "HG1 ") ) 5.000 5.000 0.000 peak 6723 weight 0.10000E+01 volume -0.78300E+00 ppm1 1.920 ppm2 2.874 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "52 " and name "HA ") ) 5.000 5.000 0.000 peak 2964 weight 0.10000E+01 volume -0.39700E+00 ppm1 1.925 ppm2 4.760 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "52 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3002 weight 0.10000E+01 volume -0.48000E+00 ppm1 1.921 ppm2 3.053 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "12 " and name "HB2 ") ) 5.000 5.000 0.000 peak 6683 weight 0.10000E+01 volume -0.36500E+00 ppm1 1.921 ppm2 3.032 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "38 " and name "HA ") ) 6.000 6.000 0.000 peak 3367 weight 0.10000E+01 volume -0.22200E+00 ppm1 1.922 ppm2 4.635 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "50 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7801 weight 0.10000E+01 volume -0.52300E+00 ppm1 1.924 ppm2 3.725 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "36 " and name "HG2 ") OR (segid " " and resid "36 " and name "HG1 ") ) 5.000 5.000 0.000 peak 3740 weight 0.10000E+01 volume 0.68000E+00 ppm1 1.922 ppm2 1.447 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "36 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3734 weight 0.10000E+01 volume -0.70700E+00 ppm1 1.921 ppm2 1.668 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "52 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7846 weight 0.10000E+01 volume -0.43900E+00 ppm1 1.921 ppm2 2.449 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7894 weight 0.10000E+01 volume -0.40800E+00 ppm1 1.924 ppm2 4.053 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3768 weight 0.10000E+01 volume 0.20570E+01 ppm1 1.924 ppm2 1.371 ASSI ( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") )( (segid " " and resid "15 " and name "HG2 ") ) 5.000 5.000 0.000 peak 6729 weight 0.10000E+01 volume -0.65900E+00 ppm1 1.920 ppm2 2.549 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 6.000 6.000 0.000 peak 6931 weight 0.10000E+01 volume 0.84000E-01 ppm1 1.400 ppm2 0.745 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 2454 weight 0.10000E+01 volume 0.44100E+00 ppm1 1.397 ppm2 0.847 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "49 " and name "HA ") ) 6.000 6.000 0.000 peak 3418 weight 0.10000E+01 volume -0.10600E+00 ppm1 1.402 ppm2 4.694 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "16 " and name "HA ") ) 5.000 5.000 0.000 peak 6797 weight 0.10000E+01 volume 0.35700E+00 ppm1 1.398 ppm2 4.475 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "51 " and name "HA ") ) 6.000 6.000 0.000 peak 2927 weight 0.10000E+01 volume -0.26500E+00 ppm1 1.397 ppm2 4.850 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "57 " and name "HZ3 ") ) 6.000 6.000 0.000 peak 2055 weight 0.10000E+01 volume 0.15100E+00 ppm1 1.397 ppm2 6.667 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2230 weight 0.10000E+01 volume 0.96000E+00 ppm1 1.401 ppm2 1.080 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "49 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7782 weight 0.10000E+01 volume -0.44300E+00 ppm1 1.399 ppm2 3.103 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "19 " and name "HG12") ) 6.000 6.000 0.000 peak 2544 weight 0.10000E+01 volume 0.10000E+00 ppm1 1.399 ppm2 0.531 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "49 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7788 weight 0.10000E+01 volume -0.33300E+00 ppm1 1.396 ppm2 2.563 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 2080 weight 0.10000E+01 volume 0.10400E+00 ppm1 1.398 ppm2 -0.837 ASSI ( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") )( (segid " " and resid "16 " and name "HB ") ) 5.000 5.000 0.000 peak 6800 weight 0.10000E+01 volume 0.11830E+01 ppm1 1.403 ppm2 4.298 ASSI ( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG22") OR (segid " " and resid "5 " and name "HG21") )( (segid " " and resid "5 " and name "HB ") ) 5.000 5.000 0.000 peak 2405 weight 0.10000E+01 volume 0.11460E+01 ppm1 0.883 ppm2 2.031 ASSI ( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG22") OR (segid " " and resid "5 " and name "HG21") )( (segid " " and resid "5 " and name "HA ") ) 5.000 5.000 0.000 peak 2046 weight 0.10000E+01 volume 0.92400E+00 ppm1 0.882 ppm2 4.171 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "64 " and name "HD2 ") ) 6.000 6.000 0.000 peak 8399 weight 0.10000E+01 volume 0.24100E+00 ppm1 0.716 ppm2 6.933 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "20 " and name "HA ") ) 6.000 6.000 0.000 peak 3551 weight 0.10000E+01 volume 0.12300E+00 ppm1 0.718 ppm2 4.124 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "64 " and name "HB2 ") OR (segid " " and resid "64 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8246 weight 0.10000E+01 volume 0.37500E+00 ppm1 0.718 ppm2 3.327 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 7000 weight 0.10000E+01 volume 0.60800E+00 ppm1 0.720 ppm2 3.671 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "61 " and name "HA ") ) 5.000 5.000 0.000 peak 8147 weight 0.10000E+01 volume -0.45400E+00 ppm1 0.717 ppm2 4.007 ASSI ( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") )( (segid " " and resid "21 " and name "HB ") ) 5.000 5.000 0.000 peak 7015 weight 0.10000E+01 volume 0.67600E+00 ppm1 0.720 ppm2 1.935 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "35 " and name "HA2 ") ) 5.000 5.000 0.000 peak 7327 weight 0.10000E+01 volume -0.30700E+00 ppm1 1.010 ppm2 3.658 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "12 " and name "HA ") ) 5.000 5.000 0.000 peak 6680 weight 0.10000E+01 volume -0.41000E+00 ppm1 1.008 ppm2 5.034 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "8 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8436 weight 0.10000E+01 volume -0.18100E+00 ppm1 1.010 ppm2 2.943 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "34 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7314 weight 0.10000E+01 volume -0.17700E+00 ppm1 1.009 ppm2 3.801 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "34 " and name "HB2 ") ) 6.000 6.000 0.000 peak 7321 weight 0.10000E+01 volume -0.15200E+00 ppm1 1.011 ppm2 2.992 ASSI ( (segid " " and resid "5 " and name "HG13") OR (segid " " and resid "5 " and name "HG12") OR (segid " " and resid "5 " and name "HG11") )( (segid " " and resid "5 " and name "HA ") ) 5.000 5.000 0.000 peak 2039 weight 0.10000E+01 volume 0.92500E+00 ppm1 0.884 ppm2 4.171 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "53 " and name "HA ") ) 5.000 5.000 0.000 peak 7853 weight 0.10000E+01 volume 0.10520E+01 ppm1 0.215 ppm2 3.909 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") ) 6.000 6.000 0.000 peak 7878 weight 0.10000E+01 volume 0.75000E-01 ppm1 0.219 ppm2 1.800 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "58 " and name "HA ") ) 3.300 3.300 0.000 peak 8032 weight 0.10000E+01 volume 0.15270E+01 ppm1 0.218 ppm2 2.563 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "53 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7865 weight 0.10000E+01 volume 0.33200E+00 ppm1 0.215 ppm2 2.007 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "62 " and name "HG2 ") ) 6.000 6.000 0.000 peak 8196 weight 0.10000E+01 volume 0.11500E+00 ppm1 0.218 ppm2 0.435 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 3.300 3.300 0.000 peak 1937 weight 0.10000E+01 volume 0.22390E+01 ppm1 0.219 ppm2 -0.842 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "8 " and name "HB2 ") ) 6.000 6.000 0.000 peak 6629 weight 0.10000E+01 volume -0.15600E+00 ppm1 1.007 ppm2 2.638 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 7408 weight 0.10000E+01 volume 0.47700E+00 ppm1 0.217 ppm2 0.673 ASSI ( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") )( (segid " " and resid "35 " and name "HA1 ") ) 5.000 5.000 0.000 peak 7325 weight 0.10000E+01 volume -0.43600E+00 ppm1 1.007 ppm2 4.282 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7816 weight 0.10000E+01 volume 0.94900E+00 ppm1 0.218 ppm2 1.081 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "58 " and name "HB ") ) 3.300 3.300 0.000 peak 8042 weight 0.10000E+01 volume 0.15050E+01 ppm1 0.220 ppm2 1.708 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "39 " and name "HG11") ) 5.000 5.000 0.000 peak 7427 weight 0.10000E+01 volume 0.70200E+00 ppm1 0.219 ppm2 1.267 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") ) 6.000 6.000 0.000 peak 7547 weight 0.10000E+01 volume 0.23600E+00 ppm1 0.219 ppm2 0.753 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 6.000 6.000 0.000 peak 2617 weight 0.10000E+01 volume 0.25000E+00 ppm1 0.218 ppm2 0.847 ASSI ( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") )( (segid " " and resid "39 " and name "HB ") ) 5.000 5.000 0.000 peak 7394 weight 0.10000E+01 volume -0.41200E+00 ppm1 0.219 ppm2 1.704 ASSI ( (segid " " and resid "73 " and name "HG23") OR (segid " " and resid "73 " and name "HG22") OR (segid " " and resid "73 " and name "HG21") )( (segid " " and resid "73 " and name "HB ") ) 5.000 5.000 0.000 peak 8371 weight 0.10000E+01 volume 0.83500E+00 ppm1 1.187 ppm2 4.222 ASSI ( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") )( (segid " " and resid "6 " and name "HB ") ) 5.000 5.000 0.000 peak 6622 weight 0.10000E+01 volume 0.10620E+01 ppm1 1.107 ppm2 4.058 ASSI ( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") )( (segid " " and resid "6 " and name "HA ") ) 5.000 5.000 0.000 peak 2867 weight 0.10000E+01 volume 0.63200E+00 ppm1 1.110 ppm2 4.266 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 7004 weight 0.10000E+01 volume 0.11090E+01 ppm1 0.807 ppm2 3.671 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "64 " and name "HB2 ") OR (segid " " and resid "64 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8247 weight 0.10000E+01 volume 0.60000E+00 ppm1 0.807 ppm2 3.325 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "61 " and name "HA ") ) 5.000 5.000 0.000 peak 8148 weight 0.10000E+01 volume -0.80700E+00 ppm1 0.810 ppm2 4.007 ASSI ( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") )( (segid " " and resid "20 " and name "HA ") ) 6.000 6.000 0.000 peak 3552 weight 0.10000E+01 volume 0.95000E-01 ppm1 0.811 ppm2 4.124 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "58 " and name "HA ") ) 5.000 5.000 0.000 peak 8031 weight 0.10000E+01 volume 0.13100E+01 ppm1 -0.839 ppm2 2.564 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "57 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7975 weight 0.10000E+01 volume 0.13500E+00 ppm1 -0.840 ppm2 7.617 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "53 " and name "HA ") ) 6.000 6.000 0.000 peak 7852 weight 0.10000E+01 volume 0.12600E+00 ppm1 -0.841 ppm2 3.909 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7815 weight 0.10000E+01 volume 0.16170E+01 ppm1 -0.838 ppm2 1.081 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "58 " and name "HB ") ) 3.300 3.300 0.000 peak 8041 weight 0.10000E+01 volume 0.16700E+01 ppm1 -0.839 ppm2 1.708 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "55 " and name "HG1 ") ) 6.000 6.000 0.000 peak 7926 weight 0.10000E+01 volume -0.15600E+00 ppm1 -0.844 ppm2 2.450 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "55 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2167 weight 0.10000E+01 volume 0.49200E+00 ppm1 -0.841 ppm2 1.968 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "57 " and name "HH2 ") ) 6.000 6.000 0.000 peak 8014 weight 0.10000E+01 volume 0.16600E+00 ppm1 -0.840 ppm2 6.561 ASSI ( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") )( (segid " " and resid "57 " and name "HE3 ") ) 6.000 6.000 0.000 peak 7982 weight 0.10000E+01 volume 0.14900E+00 ppm1 -0.844 ppm2 7.313 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "47 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2418 weight 0.10000E+01 volume 0.19500E+00 ppm1 1.351 ppm2 1.696 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") ) 5.000 5.000 0.000 peak 2383 weight 0.10000E+01 volume 0.10330E+01 ppm1 1.355 ppm2 0.797 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7073 weight 0.10000E+01 volume -0.31200E+00 ppm1 1.353 ppm2 1.704 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 3423 weight 0.10000E+01 volume -0.17500E+00 ppm1 1.356 ppm2 4.677 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "43 " and name "HA ") ) 5.000 5.000 0.000 peak 7595 weight 0.10000E+01 volume 0.67600E+00 ppm1 1.350 ppm2 5.447 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "42 " and name "HG2 ") ) 5.000 5.000 0.000 peak 7585 weight 0.10000E+01 volume -0.44300E+00 ppm1 0.686 ppm2 2.094 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "48 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7735 weight 0.10000E+01 volume -0.43600E+00 ppm1 0.686 ppm2 1.571 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "48 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7744 weight 0.10000E+01 volume -0.52100E+00 ppm1 0.685 ppm2 1.022 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "46 " and name "HA ") ) 6.000 6.000 0.000 peak 2815 weight 0.10000E+01 volume -0.91000E-01 ppm1 0.685 ppm2 4.405 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "42 " and name "HA ") ) 5.000 5.000 0.000 peak 7571 weight 0.10000E+01 volume -0.84400E+00 ppm1 0.685 ppm2 5.626 ASSI ( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") )( (segid " " and resid "43 " and name "HB ") ) 5.000 5.000 0.000 peak 7599 weight 0.10000E+01 volume 0.63400E+00 ppm1 1.351 ppm2 4.860 ASSI ( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") )( (segid " " and resid "42 " and name "HG1 ") ) 5.000 5.000 0.000 peak 7578 weight 0.10000E+01 volume -0.44800E+00 ppm1 0.689 ppm2 2.721 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") )( (segid " " and resid "65 " and name "HB2 ") ) 5.000 5.000 0.000 peak 8264 weight 0.10000E+01 volume -0.69200E+00 ppm1 0.758 ppm2 2.112 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "23 " and name "HA ") ) 3.300 3.300 0.000 peak 7050 weight 0.10000E+01 volume -0.26180E+01 ppm1 0.818 ppm2 4.247 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") )( (segid " " and resid "65 " and name "HA ") ) 3.300 3.300 0.000 peak 8253 weight 0.10000E+01 volume -0.25800E+01 ppm1 0.760 ppm2 4.030 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 3357 weight 0.10000E+01 volume 0.93000E-01 ppm1 0.817 ppm2 4.860 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7635 weight 0.10000E+01 volume -0.43800E+00 ppm1 0.817 ppm2 3.190 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") OR (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "24 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7090 weight 0.10000E+01 volume -0.55700E+00 ppm1 0.756 ppm2 2.164 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") )( (segid " " and resid "65 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8272 weight 0.10000E+01 volume -0.11130E+01 ppm1 0.760 ppm2 1.690 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "23 " and name "HG ") ) 3.300 3.300 0.000 peak 3312 weight 0.10000E+01 volume 0.18170E+01 ppm1 0.818 ppm2 1.620 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") )( (segid " " and resid "25 " and name "HA ") ) 5.000 5.000 0.000 peak 3474 weight 0.10000E+01 volume 0.70600E+00 ppm1 0.757 ppm2 4.685 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "41 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7508 weight 0.10000E+01 volume -0.59000E+00 ppm1 0.751 ppm2 1.829 ASSI ( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") )( (segid " " and resid "26 " and name "HA ") ) 5.000 5.000 0.000 peak 3362 weight 0.10000E+01 volume -0.51500E+00 ppm1 0.758 ppm2 4.997 ASSI ( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") )( (segid " " and resid "20 " and name "HD2 ") ) 6.000 6.000 0.000 peak 3471 weight 0.10000E+01 volume -0.11000E+00 ppm1 0.815 ppm2 3.444 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "41 " and name "HA ") ) 5.000 5.000 0.000 peak 7494 weight 0.10000E+01 volume -0.14320E+01 ppm1 0.749 ppm2 4.975 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "27 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7225 weight 0.10000E+01 volume -0.10050E+01 ppm1 0.754 ppm2 2.556 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "27 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7217 weight 0.10000E+01 volume -0.87400E+00 ppm1 0.755 ppm2 2.823 ASSI ( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") )( (segid " " and resid "27 " and name "HA ") ) 5.000 5.000 0.000 peak 7210 weight 0.10000E+01 volume -0.75700E+00 ppm1 0.753 ppm2 5.903 ASSI ( (segid " " and resid "72 " and name "HD23") OR (segid " " and resid "72 " and name "HD22") OR (segid " " and resid "72 " and name "HD21") )( (segid " " and resid "72 " and name "HA ") ) 5.000 5.000 0.000 peak 8355 weight 0.10000E+01 volume -0.98000E+00 ppm1 0.867 ppm2 4.315 ASSI ( (segid " " and resid "72 " and name "HD23") OR (segid " " and resid "72 " and name "HD22") OR (segid " " and resid "72 " and name "HD21") )( (segid " " and resid "72 " and name "HB2 ") ) 5.000 5.000 0.000 peak 8367 weight 0.10000E+01 volume -0.44300E+00 ppm1 0.864 ppm2 1.617 ASSI ( (segid " " and resid "72 " and name "HD23") OR (segid " " and resid "72 " and name "HD22") OR (segid " " and resid "72 " and name "HD21") )( (segid " " and resid "72 " and name "HG ") ) 5.000 5.000 0.000 peak 8621 weight 0.10000E+01 volume 0.61000E+00 ppm1 0.866 ppm2 1.707 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "39 " and name "HB ") ) 6.000 6.000 0.000 peak 7401 weight 0.10000E+01 volume -0.87000E-01 ppm1 1.371 ppm2 1.696 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "12 " and name "HB2 ") ) 5.000 5.000 0.000 peak 6682 weight 0.10000E+01 volume -0.39800E+00 ppm1 1.366 ppm2 3.032 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7890 weight 0.10000E+01 volume -0.48600E+00 ppm1 1.369 ppm2 4.063 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "37 " and name "HA ") ) 5.000 5.000 0.000 peak 7353 weight 0.10000E+01 volume -0.49200E+00 ppm1 1.368 ppm2 4.180 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "30 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7285 weight 0.10000E+01 volume -0.37100E+00 ppm1 1.368 ppm2 2.821 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "50 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7800 weight 0.10000E+01 volume -0.48500E+00 ppm1 1.370 ppm2 3.725 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "50 " and name "HA ") ) 5.000 5.000 0.000 peak 7796 weight 0.10000E+01 volume -0.46300E+00 ppm1 1.370 ppm2 5.122 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "30 " and name "HB2 ") ) 5.000 5.000 0.000 peak 1880 weight 0.10000E+01 volume -0.40300E+00 ppm1 1.369 ppm2 2.704 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "50 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7807 weight 0.10000E+01 volume -0.80900E+00 ppm1 1.367 ppm2 2.529 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") ) 6.000 6.000 0.000 peak 7882 weight 0.10000E+01 volume 0.13500E+00 ppm1 1.370 ppm2 1.800 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "52 " and name "HA ") ) 5.000 5.000 0.000 peak 2979 weight 0.10000E+01 volume -0.32900E+00 ppm1 1.369 ppm2 4.760 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "39 " and name "HA ") ) 6.000 6.000 0.000 peak 3426 weight 0.10000E+01 volume -0.18100E+00 ppm1 1.372 ppm2 4.491 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "38 " and name "HA ") ) 5.000 5.000 0.000 peak 3347 weight 0.10000E+01 volume -0.13080E+01 ppm1 1.368 ppm2 4.635 ASSI ( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") )( (segid " " and resid "12 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6686 weight 0.10000E+01 volume -0.45900E+00 ppm1 1.368 ppm2 2.627 ASSI ( (segid " " and resid "18 " and name "HG1 ") )( (segid " " and resid "18 " and name "HG2 ") ) 3.300 3.300 0.000 peak 6865 weight 0.10000E+01 volume 0.28660E+01 ppm1 0.376 ppm2 0.190 ASSI ( (segid " " and resid "18 " and name "HG1 ") )( (segid " " and resid "18 " and name "HB2 ") ) 5.000 5.000 0.000 peak 6851 weight 0.10000E+01 volume 0.72700E+00 ppm1 0.383 ppm2 0.441 ASSI ( (segid " " and resid "18 " and name "HG1 ") )( (segid " " and resid "18 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6844 weight 0.10000E+01 volume 0.51500E+00 ppm1 0.374 ppm2 0.772 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "18 " and name "HA ") ) 5.000 5.000 0.000 peak 6830 weight 0.10000E+01 volume -0.33300E+00 ppm1 0.190 ppm2 0.676 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "18 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6843 weight 0.10000E+01 volume 0.67400E+00 ppm1 0.192 ppm2 0.775 ASSI ( (segid " " and resid "18 " and name "HG1 ") )( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") ) 5.000 5.000 0.000 peak 6873 weight 0.10000E+01 volume 0.57900E+00 ppm1 0.382 ppm2 1.272 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") ) 5.000 5.000 0.000 peak 6878 weight 0.10000E+01 volume -0.37500E+00 ppm1 0.193 ppm2 2.747 ASSI ( (segid " " and resid "18 " and name "HG1 ") )( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") ) 5.000 5.000 0.000 peak 6879 weight 0.10000E+01 volume -0.34600E+00 ppm1 0.379 ppm2 2.747 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "18 " and name "HB2 ") ) 5.000 5.000 0.000 peak 6850 weight 0.10000E+01 volume 0.78300E+00 ppm1 0.192 ppm2 0.441 ASSI ( (segid " " and resid "18 " and name "HG2 ") )( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") ) 5.000 5.000 0.000 peak 6872 weight 0.10000E+01 volume 0.70600E+00 ppm1 0.192 ppm2 1.268 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "57 " and name "HH2 ") ) 5.000 5.000 0.000 peak 8020 weight 0.10000E+01 volume 0.51100E+00 ppm1 1.086 ppm2 6.583 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "39 " and name "HB ") ) 5.000 5.000 0.000 peak 7399 weight 0.10000E+01 volume -0.33800E+00 ppm1 1.081 ppm2 1.696 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "58 " and name "HB ") ) 6.000 6.000 0.000 peak 8043 weight 0.10000E+01 volume 0.23400E+00 ppm1 1.081 ppm2 1.710 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 3.300 3.300 0.000 peak 2480 weight 0.10000E+01 volume 0.18290E+01 ppm1 1.084 ppm2 0.847 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "51 " and name "HA ") ) 5.000 5.000 0.000 peak 7812 weight 0.10000E+01 volume -0.12610E+01 ppm1 1.078 ppm2 4.851 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "50 " and name "HA ") ) 6.000 6.000 0.000 peak 7795 weight 0.10000E+01 volume -0.16100E+00 ppm1 1.083 ppm2 5.115 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "41 " and name "HG ") ) 5.000 5.000 0.000 peak 7525 weight 0.10000E+01 volume 0.49600E+00 ppm1 1.080 ppm2 1.660 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "19 " and name "HB ") ) 5.000 5.000 0.000 peak 2184 weight 0.10000E+01 volume -0.48800E+00 ppm1 0.797 ppm2 1.317 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "43 " and name "HA ") ) 5.000 5.000 0.000 peak 7592 weight 0.10000E+01 volume 0.65600E+00 ppm1 0.796 ppm2 5.447 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "24 " and name "HG ") ) 5.000 5.000 0.000 peak 7107 weight 0.10000E+01 volume 0.10430E+01 ppm1 0.795 ppm2 1.916 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "41 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2389 weight 0.10000E+01 volume -0.47400E+00 ppm1 0.796 ppm2 1.486 ASSI ( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") )( (segid " " and resid "58 " and name "HA ") ) 6.000 6.000 0.000 peak 8034 weight 0.10000E+01 volume 0.13700E+00 ppm1 1.082 ppm2 2.563 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "24 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7093 weight 0.10000E+01 volume -0.57300E+00 ppm1 0.796 ppm2 2.171 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "24 " and name "HA ") ) 5.000 5.000 0.000 peak 1960 weight 0.10000E+01 volume -0.11560E+01 ppm1 0.800 ppm2 4.677 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "24 " and name "HB2 ") ) 5.000 5.000 0.000 peak 2267 weight 0.10000E+01 volume -0.71900E+00 ppm1 0.797 ppm2 1.288 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "41 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7509 weight 0.10000E+01 volume -0.44500E+00 ppm1 0.796 ppm2 1.829 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 3358 weight 0.10000E+01 volume 0.12000E+00 ppm1 0.799 ppm2 4.860 ASSI ( (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 7005 weight 0.10000E+01 volume 0.34500E+00 ppm1 0.797 ppm2 3.678 ASSI ( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") )( (segid " " and resid "14 " and name "HA ") ) 5.000 5.000 0.000 peak 6694 weight 0.10000E+01 volume -0.49800E+00 ppm1 1.415 ppm2 4.469 ASSI ( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") )( (segid " " and resid "14 " and name "HD2 ") OR (segid " " and resid "14 " and name "HD1 ") ) 2.700 2.700 0.000 peak 6712 weight 0.10000E+01 volume 0.31390E+01 ppm1 1.418 ppm2 1.703 ASSI ( (segid " " and resid "7 " and name "HG2 ") OR (segid " " and resid "7 " and name "HG1 ") )( (segid " " and resid "7 " and name "HA ") ) 5.000 5.000 0.000 peak 6758 weight 0.10000E+01 volume -0.47500E+00 ppm1 1.303 ppm2 4.247 ASSI ( (segid " " and resid "46 " and name "HB2 ") )( (segid " " and resid "46 " and name "HB1 ") ) 2.700 2.700 0.000 peak 3475 weight 0.10000E+01 volume 0.68310E+01 ppm1 3.605 ppm2 3.329 ASSI ( (segid " " and resid "46 " and name "HB2 ") )( (segid " " and resid "46 " and name "HA ") ) 5.000 5.000 0.000 peak 7660 weight 0.10000E+01 volume -0.75900E+00 ppm1 3.602 ppm2 4.405 ASSI ( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") )( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8462 weight 0.10000E+01 volume 0.17900E+00 ppm1 1.415 ppm2 3.832 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "23 " and name "HG ") ) 5.000 5.000 0.000 peak 7057 weight 0.10000E+01 volume 0.80500E+00 ppm1 0.876 ppm2 1.621 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "20 " and name "HB2 ") ) 6.000 6.000 0.000 peak 6973 weight 0.10000E+01 volume 0.24200E+00 ppm1 0.875 ppm2 1.757 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "20 " and name "HG1 ") ) 5.000 5.000 0.000 peak 6984 weight 0.10000E+01 volume 0.36700E+00 ppm1 0.877 ppm2 1.978 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 5.000 5.000 0.000 peak 3844 weight 0.10000E+01 volume 0.51300E+00 ppm1 0.877 ppm2 0.746 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "19 " and name "HA ") ) 6.000 6.000 0.000 peak 6889 weight 0.10000E+01 volume -0.14100E+00 ppm1 0.876 ppm2 4.143 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "20 " and name "HB1 ") ) 6.000 6.000 0.000 peak 6962 weight 0.10000E+01 volume 0.14500E+00 ppm1 0.872 ppm2 2.274 ASSI ( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") )( (segid " " and resid "20 " and name "HD2 ") ) 5.000 5.000 0.000 peak 7673 weight 0.10000E+01 volume -0.58900E+00 ppm1 0.871 ppm2 3.444 ASSI ( (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") )( (segid " " and resid "54 " and name "HE2 ") OR (segid " " and resid "54 " and name "HE1 ") ) 5.000 5.000 0.000 peak 7909 weight 0.10000E+01 volume -0.56700E+00 ppm1 1.338 ppm2 2.955 ASSI ( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "72 " and name "HD11") )( (segid " " and resid "72 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8362 weight 0.10000E+01 volume -0.43300E+00 ppm1 0.924 ppm2 1.738 ASSI ( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "72 " and name "HD11") )( (segid " " and resid "72 " and name "HB2 ") ) 5.000 5.000 0.000 peak 8368 weight 0.10000E+01 volume -0.71200E+00 ppm1 0.922 ppm2 1.617 ASSI ( (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") )( (segid " " and resid "54 " and name "HA ") ) 5.000 5.000 0.000 peak 7898 weight 0.10000E+01 volume -0.13230E+01 ppm1 1.334 ppm2 3.986 ASSI ( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "72 " and name "HD11") )( (segid " " and resid "72 " and name "HA ") ) 6.000 6.000 0.000 peak 8356 weight 0.10000E+01 volume -0.15400E+00 ppm1 0.925 ppm2 4.315 ASSI ( (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "72 " and name "HD11") )( (segid " " and resid "69 " and name "HA ") ) 6.000 6.000 0.000 peak 8349 weight 0.10000E+01 volume -0.23000E+00 ppm1 0.925 ppm2 4.220 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "59 " and name "HD1 ") ) 5.000 5.000 0.000 peak 8122 weight 0.10000E+01 volume 0.13200E+01 ppm1 1.187 ppm2 1.549 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "59 " and name "HD2 ") ) 3.300 3.300 0.000 peak 8127 weight 0.10000E+01 volume 0.18220E+01 ppm1 1.189 ppm2 1.407 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "59 " and name "HG1 ") ) 2.700 2.700 0.000 peak 8112 weight 0.10000E+01 volume 0.38770E+01 ppm1 1.191 ppm2 1.368 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "59 " and name "HA ") ) 5.000 5.000 0.000 peak 8080 weight 0.10000E+01 volume 0.69900E+00 ppm1 1.188 ppm2 3.787 ASSI ( (segid " " and resid "59 " and name "HG1 ") )( (segid " " and resid "59 " and name "HA ") ) 5.000 5.000 0.000 peak 8081 weight 0.10000E+01 volume 0.57200E+00 ppm1 1.387 ppm2 3.787 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 7941 weight 0.10000E+01 volume -0.31000E+00 ppm1 1.190 ppm2 3.608 ASSI ( (segid " " and resid "59 " and name "HG1 ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 7942 weight 0.10000E+01 volume -0.42400E+00 ppm1 1.381 ppm2 3.608 ASSI ( (segid " " and resid "59 " and name "HG2 ") )( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") ) 5.000 5.000 0.000 peak 8136 weight 0.10000E+01 volume -0.57300E+00 ppm1 1.190 ppm2 2.801 ASSI ( (segid " " and resid "59 " and name "HG1 ") )( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") ) 5.000 5.000 0.000 peak 8137 weight 0.10000E+01 volume -0.75700E+00 ppm1 1.391 ppm2 2.801 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "10 " and name "HA ") ) 6.000 6.000 0.000 peak 3688 weight 0.10000E+01 volume 0.10200E+00 ppm1 0.746 ppm2 4.226 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "48 " and name "HG ") ) 3.300 3.300 0.000 peak 2439 weight 0.10000E+01 volume 0.15920E+01 ppm1 0.748 ppm2 1.547 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "47 " and name "HA ") ) 6.000 6.000 0.000 peak 2782 weight 0.10000E+01 volume -0.13900E+00 ppm1 0.747 ppm2 4.438 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "48 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7746 weight 0.10000E+01 volume -0.92100E+00 ppm1 0.747 ppm2 1.022 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "48 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7736 weight 0.10000E+01 volume -0.10480E+01 ppm1 0.746 ppm2 1.571 ASSI ( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") )( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6632 weight 0.10000E+01 volume -0.51700E+00 ppm1 0.744 ppm2 2.706 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "26 " and name "HD2 ") ) 6.000 6.000 0.000 peak 7206 weight 0.10000E+01 volume 0.12300E+00 ppm1 1.077 ppm2 7.308 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "25 " and name "HA ") ) 6.000 6.000 0.000 peak 7146 weight 0.10000E+01 volume 0.11400E+00 ppm1 1.069 ppm2 4.686 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") ) 5.000 5.000 0.000 peak 7180 weight 0.10000E+01 volume 0.13560E+01 ppm1 0.613 ppm2 0.700 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "25 " and name "HG12") ) 5.000 5.000 0.000 peak 7161 weight 0.10000E+01 volume 0.98500E+00 ppm1 1.071 ppm2 0.620 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "26 " and name "HB2 ") ) 6.000 6.000 0.000 peak 2031 weight 0.10000E+01 volume 0.95000E-01 ppm1 1.073 ppm2 3.140 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "44 " and name "HA ") ) 6.000 6.000 0.000 peak 7621 weight 0.10000E+01 volume -0.10000E+00 ppm1 1.069 ppm2 3.794 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7196 weight 0.10000E+01 volume 0.10900E+00 ppm1 1.074 ppm2 3.354 ASSI ( (segid " " and resid "25 " and name "HG12") )( (segid " " and resid "44 " and name "HA ") ) 6.000 6.000 0.000 peak 7618 weight 0.10000E+01 volume -0.12700E+00 ppm1 0.620 ppm2 3.776 ASSI ( (segid " " and resid "25 " and name "HG11") )( (segid " " and resid "25 " and name "HB ") ) 5.000 5.000 0.000 peak 7151 weight 0.10000E+01 volume -0.40500E+00 ppm1 1.072 ppm2 1.770 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "62 " and name "HG2 ") ) 6.000 6.000 0.000 peak 8202 weight 0.10000E+01 volume 0.81000E-01 ppm1 0.826 ppm2 0.433 ASSI ( (segid " " and resid "24 " and name "HG ") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 7009 weight 0.10000E+01 volume 0.93200E+00 ppm1 1.912 ppm2 3.664 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 8639 weight 0.10000E+01 volume 0.38600E+00 ppm1 0.823 ppm2 3.360 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "65 " and name "HG ") ) 5.000 5.000 0.000 peak 8278 weight 0.10000E+01 volume 0.13860E+01 ppm1 0.822 ppm2 1.873 ASSI ( (segid " " and resid "24 " and name "HG ") )( (segid " " and resid "24 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7098 weight 0.10000E+01 volume -0.50700E+00 ppm1 1.915 ppm2 2.164 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "24 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7094 weight 0.10000E+01 volume -0.35600E+00 ppm1 0.822 ppm2 2.164 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "65 " and name "HA ") ) 5.000 5.000 0.000 peak 1857 weight 0.10000E+01 volume -0.35700E+00 ppm1 0.824 ppm2 4.031 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "27 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7227 weight 0.10000E+01 volume -0.36000E+00 ppm1 0.825 ppm2 2.556 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "26 " and name "HA ") ) 5.000 5.000 0.000 peak 3361 weight 0.10000E+01 volume -0.43800E+00 ppm1 0.821 ppm2 4.997 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "64 " and name "HD2 ") ) 6.000 6.000 0.000 peak 8405 weight 0.10000E+01 volume 0.18200E+00 ppm1 0.822 ppm2 6.933 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "65 " and name "HB2 ") ) 5.000 5.000 0.000 peak 8265 weight 0.10000E+01 volume -0.73400E+00 ppm1 0.825 ppm2 2.112 ASSI ( (segid " " and resid "24 " and name "HG ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 7122 weight 0.10000E+01 volume 0.11990E+01 ppm1 1.918 ppm2 1.003 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "27 " and name "HB2 ") ) 6.000 6.000 0.000 peak 7218 weight 0.10000E+01 volume -0.24600E+00 ppm1 0.823 ppm2 2.823 ASSI ( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") )( (segid " " and resid "27 " and name "HA ") ) 6.000 6.000 0.000 peak 7211 weight 0.10000E+01 volume -0.16400E+00 ppm1 0.822 ppm2 5.902 ASSI ( (segid " " and resid "24 " and name "HG ") )( (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 2027 weight 0.10000E+01 volume -0.19400E+00 ppm1 1.916 ppm2 4.665 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "41 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7512 weight 0.10000E+01 volume -0.49500E+00 ppm1 1.664 ppm2 1.829 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "41 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7520 weight 0.10000E+01 volume -0.38500E+00 ppm1 1.662 ppm2 1.486 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 7539 weight 0.10000E+01 volume 0.84600E+00 ppm1 1.660 ppm2 0.847 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 5.000 5.000 0.000 peak 2663 weight 0.10000E+01 volume 0.41800E+00 ppm1 1.664 ppm2 0.718 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") ) 5.000 5.000 0.000 peak 7557 weight 0.10000E+01 volume 0.12210E+01 ppm1 1.665 ppm2 0.753 ASSI ( (segid " " and resid "57 " and name "HB2 ") )( (segid " " and resid "57 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7981 weight 0.10000E+01 volume 0.49200E+00 ppm1 3.501 ppm2 7.623 ASSI ( (segid " " and resid "41 " and name "HG ") )( (segid " " and resid "41 " and name "HA ") ) 6.000 6.000 0.000 peak 7499 weight 0.10000E+01 volume -0.23400E+00 ppm1 1.662 ppm2 4.975 ASSI ( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") )( (segid " " and resid "53 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3050 weight 0.10000E+01 volume 0.38600E+00 ppm1 1.270 ppm2 2.007 ASSI ( (segid " " and resid "57 " and name "HB2 ") )( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") ) 6.000 6.000 0.000 peak 8490 weight 0.10000E+01 volume 0.99000E-01 ppm1 3.501 ppm2 1.274 ASSI ( (segid " " and resid "19 " and name "HG12") )( (segid " " and resid "19 " and name "HG11") ) 5.000 5.000 0.000 peak 6911 weight 0.10000E+01 volume 0.14940E+01 ppm1 0.534 ppm2 1.463 ASSI ( (segid " " and resid "57 " and name "HB2 ") )( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") ) 6.000 6.000 0.000 peak 6884 weight 0.10000E+01 volume -0.11200E+00 ppm1 3.489 ppm2 2.747 ASSI ( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") )( (segid " " and resid "39 " and name "HB ") ) 5.000 5.000 0.000 peak 7400 weight 0.10000E+01 volume -0.51700E+00 ppm1 1.270 ppm2 1.696 ASSI ( (segid " " and resid "19 " and name "HG11") )( (segid " " and resid "19 " and name "HB ") ) 5.000 5.000 0.000 peak 3817 weight 0.10000E+01 volume -0.60700E+00 ppm1 1.469 ppm2 1.317 ASSI ( (segid " " and resid "57 " and name "HB1 ") )( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") ) 6.000 6.000 0.000 peak 8489 weight 0.10000E+01 volume 0.13000E+00 ppm1 3.216 ppm2 1.281 ASSI ( (segid " " and resid "57 " and name "HB2 ") )( (segid " " and resid "57 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7971 weight 0.10000E+01 volume 0.16230E+01 ppm1 3.504 ppm2 3.215 ASSI ( (segid " " and resid "57 " and name "HB1 ") )( (segid " " and resid "57 " and name "HA ") ) 5.000 5.000 0.000 peak 7961 weight 0.10000E+01 volume -0.91300E+00 ppm1 3.216 ppm2 4.450 ASSI ( (segid " " and resid "57 " and name "HB2 ") )( (segid " " and resid "57 " and name "HA ") ) 5.000 5.000 0.000 peak 7962 weight 0.10000E+01 volume -0.94300E+00 ppm1 3.504 ppm2 4.450 ASSI ( (segid " " and resid "19 " and name "HG11") )( (segid " " and resid "19 " and name "HA ") ) 5.000 5.000 0.000 peak 6891 weight 0.10000E+01 volume -0.33300E+00 ppm1 1.462 ppm2 4.143 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 6.000 6.000 0.000 peak 2672 weight 0.10000E+01 volume 0.13700E+00 ppm1 1.791 ppm2 0.718 ASSI ( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 7410 weight 0.10000E+01 volume 0.12630E+01 ppm1 1.272 ppm2 0.679 ASSI ( (segid " " and resid "39 " and name "HG12") )( (segid " " and resid "39 " and name "HA ") ) 6.000 6.000 0.000 peak 7387 weight 0.10000E+01 volume -0.24900E+00 ppm1 1.266 ppm2 4.493 ASSI ( (segid " " and resid "19 " and name "HG12") )( (segid " " and resid "19 " and name "HA ") ) 5.000 5.000 0.000 peak 6887 weight 0.10000E+01 volume -0.33700E+00 ppm1 0.532 ppm2 4.143 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "52 " and name "HA ") ) 6.000 6.000 0.000 peak 3000 weight 0.10000E+01 volume -0.18100E+00 ppm1 1.797 ppm2 4.760 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "53 " and name "HA ") ) 5.000 5.000 0.000 peak 7858 weight 0.10000E+01 volume 0.38600E+00 ppm1 1.798 ppm2 3.909 ASSI ( (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "39 " and name "HG12") OR (segid " " and resid "39 " and name "HG11") ) 5.000 5.000 0.000 peak 3067 weight 0.10000E+01 volume 0.41100E+00 ppm1 1.801 ppm2 1.268 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "38 " and name "HA ") ) 6.000 6.000 0.000 peak 3365 weight 0.10000E+01 volume -0.16100E+00 ppm1 1.796 ppm2 4.635 ASSI ( (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 7414 weight 0.10000E+01 volume 0.30300E+00 ppm1 1.796 ppm2 0.676 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "53 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7868 weight 0.10000E+01 volume 0.27080E+01 ppm1 1.803 ppm2 2.007 ASSI ( (segid " " and resid "57 " and name "HB1 ") )( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") ) 6.000 6.000 0.000 peak 6883 weight 0.10000E+01 volume -0.12900E+00 ppm1 3.220 ppm2 2.747 ASSI ( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") )( (segid " " and resid "53 " and name "HB2 ") ) 2.700 2.700 0.000 peak 7874 weight 0.10000E+01 volume 0.43470E+01 ppm1 1.802 ppm2 1.885 ASSI ( (segid " " and resid "40 " and name "HG12") )( (segid " " and resid "40 " and name "HG11") ) 3.300 3.300 0.000 peak 7458 weight 0.10000E+01 volume 0.23730E+01 ppm1 1.242 ppm2 1.377 ASSI ( (segid " " and resid "40 " and name "HG12") )( (segid " " and resid "30 " and name "HA ") ) 6.000 6.000 0.000 peak 3460 weight 0.10000E+01 volume -0.26500E+00 ppm1 1.234 ppm2 4.734 ASSI ( (segid " " and resid "40 " and name "HG11") )( (segid " " and resid "30 " and name "HA ") ) 5.000 5.000 0.000 peak 3463 weight 0.10000E+01 volume -0.32900E+00 ppm1 1.380 ppm2 4.734 ASSI ( (segid " " and resid "40 " and name "HG11") )( (segid " " and resid "40 " and name "HA ") ) 6.000 6.000 0.000 peak 7444 weight 0.10000E+01 volume -0.14300E+00 ppm1 1.378 ppm2 4.917 ASSI ( (segid " " and resid "40 " and name "HG11") )( (segid " " and resid "40 " and name "HB ") ) 5.000 5.000 0.000 peak 7452 weight 0.10000E+01 volume -0.81000E+00 ppm1 1.381 ppm2 1.974 ASSI ( (segid " " and resid "40 " and name "HG12") )( (segid " " and resid "40 " and name "HA ") ) 6.000 6.000 0.000 peak 7443 weight 0.10000E+01 volume -0.21300E+00 ppm1 1.237 ppm2 4.920 ASSI ( (segid " " and resid "40 " and name "HG12") )( (segid " " and resid "40 " and name "HB ") ) 5.000 5.000 0.000 peak 7451 weight 0.10000E+01 volume -0.73000E+00 ppm1 1.237 ppm2 1.973 ASSI ( (segid " " and resid "48 " and name "HG ") )( (segid " " and resid "48 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7749 weight 0.10000E+01 volume -0.75600E+00 ppm1 1.562 ppm2 1.022 ASSI ( (segid " " and resid "72 " and name "HG ") )( (segid " " and resid "72 " and name "HB2 ") ) 2.700 2.700 0.000 peak 3538 weight 0.10000E+01 volume -0.35890E+01 ppm1 1.717 ppm2 1.618 ASSI ( (segid " " and resid "72 " and name "HG ") )( (segid " " and resid "72 " and name "HA ") ) 5.000 5.000 0.000 peak 3286 weight 0.10000E+01 volume -0.66000E+00 ppm1 1.719 ppm2 4.315 ASSI ( (segid " " and resid "48 " and name "HG ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") ) 3.300 3.300 0.000 peak 7768 weight 0.10000E+01 volume 0.18740E+01 ppm1 1.553 ppm2 0.685 ASSI ( (segid " " and resid "72 " and name "HG ") )( (segid " " and resid "72 " and name "HB1 ") ) 2.700 2.700 0.000 peak 3513 weight 0.10000E+01 volume -0.33240E+01 ppm1 1.711 ppm2 1.742 ASSI ( (segid " " and resid "48 " and name "HG ") )( (segid " " and resid "48 " and name "HA ") ) 5.000 5.000 0.000 peak 7730 weight 0.10000E+01 volume -0.34500E+00 ppm1 1.556 ppm2 5.462 ASSI ( (segid " " and resid "37 " and name "HG2 ") OR (segid " " and resid "37 " and name "HG1 ") )( (segid " " and resid "37 " and name "HA ") ) 5.000 5.000 0.000 peak 7355 weight 0.10000E+01 volume -0.62800E+00 ppm1 1.539 ppm2 4.180 ASSI ( (segid " " and resid "74 " and name "HG2 ") OR (segid " " and resid "74 " and name "HG1 ") )( (segid " " and resid "74 " and name "HB2 ") OR (segid " " and resid "74 " and name "HB1 ") ) 2.700 2.700 0.000 peak 8629 weight 0.10000E+01 volume 0.75100E+01 ppm1 1.599 ppm2 1.811 ASSI ( (segid " " and resid "74 " and name "HG2 ") OR (segid " " and resid "74 " and name "HG1 ") )( (segid " " and resid "74 " and name "HA ") ) 5.000 5.000 0.000 peak 8377 weight 0.10000E+01 volume -0.41500E+00 ppm1 1.600 ppm2 4.333 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 1961 weight 0.10000E+01 volume -0.15400E+00 ppm1 0.994 ppm2 4.686 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "61 " and name "HA ") ) 6.000 6.000 0.000 peak 2812 weight 0.10000E+01 volume -0.14600E+00 ppm1 0.993 ppm2 4.005 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "21 " and name "HA ") ) 3.300 3.300 0.000 peak 7006 weight 0.10000E+01 volume 0.19840E+01 ppm1 0.995 ppm2 3.666 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 5.000 5.000 0.000 peak 3920 weight 0.10000E+01 volume 0.12980E+01 ppm1 0.991 ppm2 0.847 ASSI ( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") )( (segid " " and resid "24 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7096 weight 0.10000E+01 volume -0.92400E+00 ppm1 0.997 ppm2 2.173 ASSI ( (segid " " and resid "47 " and name "HG2 ") )( (segid " " and resid "47 " and name "HA ") ) 5.000 5.000 0.000 peak 7686 weight 0.10000E+01 volume -0.38600E+00 ppm1 1.392 ppm2 4.413 ASSI ( (segid " " and resid "47 " and name "HG1 ") )( (segid " " and resid "47 " and name "HA ") ) 5.000 5.000 0.000 peak 7687 weight 0.10000E+01 volume -0.56300E+00 ppm1 1.554 ppm2 4.413 ASSI ( (segid " " and resid "20 " and name "HG2 ") )( (segid " " and resid "20 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6966 weight 0.10000E+01 volume 0.92900E+00 ppm1 1.806 ppm2 2.274 ASSI ( (segid " " and resid "20 " and name "HG1 ") )( (segid " " and resid "20 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6967 weight 0.10000E+01 volume 0.11320E+01 ppm1 1.985 ppm2 2.274 ASSI ( (segid " " and resid "20 " and name "HG1 ") )( (segid " " and resid "19 " and name "HA ") ) 5.000 5.000 0.000 peak 3803 weight 0.10000E+01 volume -0.42700E+00 ppm1 1.978 ppm2 4.143 ASSI ( (segid " " and resid "20 " and name "HG2 ") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG22") OR (segid " " and resid "19 " and name "HG21") ) 6.000 6.000 0.000 peak 2315 weight 0.10000E+01 volume 0.14900E+00 ppm1 1.805 ppm2 0.746 ASSI ( (segid " " and resid "47 " and name "HG1 ") )( (segid " " and resid "47 " and name "HG2 ") ) 2.700 2.700 0.000 peak 7711 weight 0.10000E+01 volume 0.17758E+02 ppm1 1.554 ppm2 1.394 ASSI ( (segid " " and resid "67 " and name "HG1 ") )( (segid " " and resid "67 " and name "HA ") ) 5.000 5.000 0.000 peak 8317 weight 0.10000E+01 volume -0.60000E+00 ppm1 1.803 ppm2 4.117 ASSI ( (segid " " and resid "47 " and name "HG2 ") )( (segid " " and resid "47 " and name "HB2 ") ) 3.300 3.300 0.000 peak 7700 weight 0.10000E+01 volume 0.16080E+01 ppm1 1.396 ppm2 1.613 ASSI ( (segid " " and resid "20 " and name "HG1 ") )( (segid " " and resid "20 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7665 weight 0.10000E+01 volume -0.69000E+00 ppm1 1.984 ppm2 3.599 ASSI ( (segid " " and resid "20 " and name "HG1 ") )( (segid " " and resid "20 " and name "HD2 ") ) 5.000 5.000 0.000 peak 7677 weight 0.10000E+01 volume -0.12870E+01 ppm1 1.981 ppm2 3.444 ASSI ( (segid " " and resid "47 " and name "HG2 ") )( (segid " " and resid "47 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7692 weight 0.10000E+01 volume 0.91600E+00 ppm1 1.397 ppm2 1.717 ASSI ( (segid " " and resid "20 " and name "HG2 ") )( (segid " " and resid "20 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7664 weight 0.10000E+01 volume -0.86100E+00 ppm1 1.801 ppm2 3.603 ASSI ( (segid " " and resid "20 " and name "HG1 ") )( (segid " " and resid "20 " and name "HB2 ") ) 3.300 3.300 0.000 peak 6976 weight 0.10000E+01 volume 0.21180E+01 ppm1 1.985 ppm2 1.757 ASSI ( (segid " " and resid "20 " and name "HG2 ") )( (segid " " and resid "20 " and name "HG1 ") ) 2.700 2.700 0.000 peak 6986 weight 0.10000E+01 volume 0.79900E+01 ppm1 1.804 ppm2 1.978 ASSI ( (segid " " and resid "20 " and name "HG2 ") )( (segid " " and resid "20 " and name "HD2 ") ) 5.000 5.000 0.000 peak 7676 weight 0.10000E+01 volume -0.10280E+01 ppm1 1.805 ppm2 3.444 ASSI ( (segid " " and resid "67 " and name "HG2 ") )( (segid " " and resid "67 " and name "HA ") ) 5.000 5.000 0.000 peak 8316 weight 0.10000E+01 volume -0.62700E+00 ppm1 1.641 ppm2 4.117 ASSI ( (segid " " and resid "56 " and name "HB1 ") )( (segid " " and resid "56 " and name "HB2 ") ) 2.700 2.700 0.000 peak 7952 weight 0.10000E+01 volume 0.59250E+01 ppm1 2.137 ppm2 2.259 ASSI ( (segid " " and resid "56 " and name "HB2 ") )( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") ) 3.300 3.300 0.000 peak 8652 weight 0.10000E+01 volume 0.24870E+01 ppm1 2.254 ppm2 2.390 ASSI ( (segid " " and resid "56 " and name "HB1 ") )( (segid " " and resid "56 " and name "HG1 ") ) 3.300 3.300 0.000 peak 8651 weight 0.10000E+01 volume 0.28730E+01 ppm1 2.132 ppm2 2.391 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "64 " and name "HB2 ") OR (segid " " and resid "64 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8249 weight 0.10000E+01 volume 0.26000E+00 ppm1 1.874 ppm2 3.322 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7240 weight 0.10000E+01 volume 0.26600E+00 ppm1 1.874 ppm2 6.712 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "65 " and name "HB2 ") ) 5.000 5.000 0.000 peak 8267 weight 0.10000E+01 volume -0.74300E+00 ppm1 1.879 ppm2 2.112 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "65 " and name "HA ") ) 5.000 5.000 0.000 peak 8256 weight 0.10000E+01 volume -0.71700E+00 ppm1 1.876 ppm2 4.030 ASSI ( (segid " " and resid "45 " and name "HB1 ") )( (segid " " and resid "45 " and name "HB2 ") ) 2.700 2.700 0.000 peak 7646 weight 0.10000E+01 volume 0.35940E+01 ppm1 2.315 ppm2 1.794 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "41 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7108 weight 0.10000E+01 volume -0.65400E+00 ppm1 0.847 ppm2 1.829 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 5.000 5.000 0.000 peak 1981 weight 0.10000E+01 volume 0.30200E+00 ppm1 0.850 ppm2 -0.842 ASSI ( (segid " " and resid "65 " and name "HG ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 3.300 3.300 0.000 peak 7561 weight 0.10000E+01 volume 0.16670E+01 ppm1 1.878 ppm2 0.760 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "41 " and name "HA ") ) 6.000 6.000 0.000 peak 7496 weight 0.10000E+01 volume -0.20600E+00 ppm1 0.846 ppm2 4.976 ASSI ( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 3359 weight 0.10000E+01 volume 0.15300E+00 ppm1 1.589 ppm2 4.860 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "19 " and name "HB ") ) 6.000 6.000 0.000 peak 3834 weight 0.10000E+01 volume -0.15600E+00 ppm1 0.849 ppm2 1.317 ASSI ( (segid " " and resid "45 " and name "HB2 ") )( (segid " " and resid "45 " and name "HG2 ") OR (segid " " and resid "45 " and name "HG1 ") ) 3.300 3.300 0.000 peak 1898 weight 0.10000E+01 volume -0.23990E+01 ppm1 1.793 ppm2 2.388 ASSI ( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") )( (segid " " and resid "41 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7519 weight 0.10000E+01 volume -0.39100E+00 ppm1 0.846 ppm2 1.486 ASSI ( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") )( (segid " " and resid "44 " and name "HA ") ) 5.000 5.000 0.000 peak 7622 weight 0.10000E+01 volume -0.10600E+01 ppm1 1.580 ppm2 3.776 ASSI ( (segid " " and resid "45 " and name "HB1 ") )( (segid " " and resid "45 " and name "HA ") ) 3.300 3.300 0.000 peak 7295 weight 0.10000E+01 volume -0.15580E+01 ppm1 2.311 ppm2 4.266 ASSI ( (segid " " and resid "10 " and name "HG11") )( (segid " " and resid "10 " and name "HA ") ) 5.000 5.000 0.000 peak 6637 weight 0.10000E+01 volume 0.77600E+00 ppm1 1.456 ppm2 4.227 ASSI ( (segid " " and resid "10 " and name "HG11") )( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") ) 3.300 3.300 0.000 peak 6661 weight 0.10000E+01 volume 0.18770E+01 ppm1 1.456 ppm2 0.750 ASSI ( (segid " " and resid "10 " and name "HG11") )( (segid " " and resid "10 " and name "HG12") ) 2.700 2.700 0.000 peak 6653 weight 0.10000E+01 volume 0.30670E+01 ppm1 1.452 ppm2 0.823 ASSI ( (segid " " and resid "10 " and name "HG12") )( (segid " " and resid "10 " and name "HA ") ) 5.000 5.000 0.000 peak 6636 weight 0.10000E+01 volume 0.41600E+00 ppm1 0.832 ppm2 4.227 ASSI ( (segid " " and resid "10 " and name "HG11") )( (segid " " and resid "10 " and name "HB ") ) 5.000 5.000 0.000 peak 6645 weight 0.10000E+01 volume -0.60800E+00 ppm1 1.455 ppm2 1.729 ASSI ( (segid " " and resid "10 " and name "HG12") )( (segid " " and resid "10 " and name "HB ") ) 5.000 5.000 0.000 peak 6644 weight 0.10000E+01 volume -0.32100E+00 ppm1 0.829 ppm2 1.715 ASSI ( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") )( (segid " " and resid "60 " and name "HA ") ) 5.000 5.000 0.000 peak 8143 weight 0.10000E+01 volume -0.12750E+01 ppm1 2.134 ppm2 4.306 ASSI ( (segid " " and resid "54 " and name "HD2 ") OR (segid " " and resid "54 " and name "HD1 ") )( (segid " " and resid "54 " and name "HA ") ) 6.000 6.000 0.000 peak 7899 weight 0.10000E+01 volume -0.28500E+00 ppm1 1.635 ppm2 3.986 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8232 weight 0.10000E+01 volume 0.16900E+00 ppm1 3.350 ppm2 2.130 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "64 " and name "HA ") ) 5.000 5.000 0.000 peak 8236 weight 0.10000E+01 volume -0.55000E+00 ppm1 3.288 ppm2 4.196 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "64 " and name "HA ") ) 5.000 5.000 0.000 peak 8237 weight 0.10000E+01 volume -0.57000E+00 ppm1 3.353 ppm2 4.196 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "61 " and name "HA ") ) 5.000 5.000 0.000 peak 8154 weight 0.10000E+01 volume -0.46400E+00 ppm1 3.296 ppm2 4.007 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "61 " and name "HA ") ) 5.000 5.000 0.000 peak 8155 weight 0.10000E+01 volume -0.36300E+00 ppm1 3.363 ppm2 4.007 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 6.000 6.000 0.000 peak 7034 weight 0.10000E+01 volume 0.19800E+00 ppm1 3.287 ppm2 0.717 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 6.000 6.000 0.000 peak 7035 weight 0.10000E+01 volume 0.19900E+00 ppm1 3.357 ppm2 0.717 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8170 weight 0.10000E+01 volume 0.15100E+00 ppm1 3.356 ppm2 1.415 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "64 " and name "HD2 ") ) 6.000 6.000 0.000 peak 8412 weight 0.10000E+01 volume 0.27900E+00 ppm1 3.292 ppm2 6.933 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "64 " and name "HD2 ") ) 6.000 6.000 0.000 peak 8414 weight 0.10000E+01 volume 0.22300E+00 ppm1 3.357 ppm2 6.933 ASSI ( (segid " " and resid "14 " and name "HD2 ") OR (segid " " and resid "14 " and name "HD1 ") )( (segid " " and resid "14 " and name "HE2 ") OR (segid " " and resid "14 " and name "HE1 ") ) 5.000 5.000 0.000 peak 6786 weight 0.10000E+01 volume -0.90300E+00 ppm1 1.704 ppm2 3.011 ASSI ( (segid " " and resid "29 " and name "HB1 ") )( (segid " " and resid "29 " and name "HB2 ") ) 2.700 2.700 0.000 peak 8594 weight 0.10000E+01 volume 0.73710E+01 ppm1 2.174 ppm2 1.992 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8168 weight 0.10000E+01 volume 0.23600E+00 ppm1 3.285 ppm2 1.416 ASSI ( (segid " " and resid "64 " and name "HB1 ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 7024 weight 0.10000E+01 volume 0.35100E+00 ppm1 3.349 ppm2 0.803 ASSI ( (segid " " and resid "29 " and name "HB2 ") )( (segid " " and resid "29 " and name "HA ") ) 5.000 5.000 0.000 peak 7278 weight 0.10000E+01 volume -0.71700E+00 ppm1 1.991 ppm2 4.509 ASSI ( (segid " " and resid "64 " and name "HB2 ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 7023 weight 0.10000E+01 volume 0.45600E+00 ppm1 3.293 ppm2 0.803 ASSI ( (segid " " and resid "29 " and name "HB1 ") )( (segid " " and resid "29 " and name "HA ") ) 5.000 5.000 0.000 peak 7279 weight 0.10000E+01 volume -0.85300E+00 ppm1 2.173 ppm2 4.509 ASSI ( (segid " " and resid "29 " and name "HB2 ") )( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") ) 3.300 3.300 0.000 peak 8600 weight 0.10000E+01 volume -0.24850E+01 ppm1 1.992 ppm2 2.467 ASSI ( (segid " " and resid "3 " and name "HB2 ") )( (segid " " and resid "3 " and name "HB1 ") ) 2.700 2.700 0.000 peak 8421 weight 0.10000E+01 volume 0.29748E+02 ppm1 3.113 ppm2 3.217 ASSI ( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "18 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6847 weight 0.10000E+01 volume 0.68800E+00 ppm1 1.271 ppm2 0.772 ASSI ( (segid " " and resid "37 " and name "HB2 ") OR (segid " " and resid "37 " and name "HB1 ") )( (segid " " and resid "37 " and name "HA ") ) 3.300 3.300 0.000 peak 7356 weight 0.10000E+01 volume -0.15850E+01 ppm1 1.721 ppm2 4.180 ASSI ( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "18 " and name "HB2 ") ) 5.000 5.000 0.000 peak 6854 weight 0.10000E+01 volume 0.67600E+00 ppm1 1.277 ppm2 0.441 ASSI ( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") )( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") ) 5.000 5.000 0.000 peak 6882 weight 0.10000E+01 volume -0.10920E+01 ppm1 1.275 ppm2 2.747 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "62 " and name "HB2 ") ) 5.000 5.000 0.000 peak 8176 weight 0.10000E+01 volume -0.46200E+00 ppm1 0.439 ppm2 1.857 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 8070 weight 0.10000E+01 volume 0.37600E+00 ppm1 2.032 ppm2 0.216 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3915 weight 0.10000E+01 volume 0.25500E+00 ppm1 2.038 ppm2 1.423 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "62 " and name "HG1 ") ) 3.300 3.300 0.000 peak 8190 weight 0.10000E+01 volume 0.21620E+01 ppm1 0.436 ppm2 2.034 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "59 " and name "HA ") ) 6.000 6.000 0.000 peak 8092 weight 0.10000E+01 volume 0.13100E+00 ppm1 2.032 ppm2 3.798 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 8638 weight 0.10000E+01 volume 0.51100E+00 ppm1 0.436 ppm2 3.360 ASSI ( (segid " " and resid "59 " and name "HD2 ") )( (segid " " and resid "59 " and name "HD1 ") ) 2.700 2.700 0.000 peak 8123 weight 0.10000E+01 volume 0.41130E+01 ppm1 1.408 ppm2 1.549 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7243 weight 0.10000E+01 volume 0.14400E+00 ppm1 2.021 ppm2 6.728 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "62 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8185 weight 0.10000E+01 volume -0.45800E+00 ppm1 2.025 ppm2 1.516 ASSI ( (segid " " and resid "59 " and name "HD1 ") )( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") ) 5.000 5.000 0.000 peak 8140 weight 0.10000E+01 volume -0.66000E+00 ppm1 1.552 ppm2 2.801 ASSI ( (segid " " and resid "62 " and name "HG1 ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 8648 weight 0.10000E+01 volume 0.47500E+00 ppm1 2.031 ppm2 3.361 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7232 weight 0.10000E+01 volume 0.15100E+00 ppm1 0.440 ppm2 6.711 ASSI ( (segid " " and resid "59 " and name "HD2 ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 7943 weight 0.10000E+01 volume -0.33300E+00 ppm1 1.407 ppm2 3.608 ASSI ( (segid " " and resid "62 " and name "HG2 ") )( (segid " " and resid "62 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8182 weight 0.10000E+01 volume -0.36900E+00 ppm1 0.437 ppm2 1.516 ASSI ( (segid " " and resid "67 " and name "HB2 ") OR (segid " " and resid "67 " and name "HB1 ") )( (segid " " and resid "67 " and name "HA ") ) 3.300 3.300 0.000 peak 8318 weight 0.10000E+01 volume -0.16330E+01 ppm1 1.879 ppm2 4.117 ASSI ( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") )( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") ) 3.300 3.300 0.000 peak 7641 weight 0.10000E+01 volume -0.16090E+01 ppm1 1.781 ppm2 3.190 ASSI ( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") )( (segid " " and resid "44 " and name "HA ") ) 3.300 3.300 0.000 peak 7623 weight 0.10000E+01 volume -0.15350E+01 ppm1 1.786 ppm2 3.776 ASSI ( (segid " " and resid "55 " and name "HB1 ") )( (segid " " and resid "55 " and name "HA ") ) 5.000 5.000 0.000 peak 7911 weight 0.10000E+01 volume -0.14960E+01 ppm1 1.974 ppm2 4.151 ASSI ( (segid " " and resid "31 " and name "HB1 ") )( (segid " " and resid "31 " and name "HA ") ) 5.000 5.000 0.000 peak 7296 weight 0.10000E+01 volume -0.11820E+01 ppm1 2.199 ppm2 4.242 ASSI ( (segid " " and resid "31 " and name "HB2 ") )( (segid " " and resid "31 " and name "HA ") ) 5.000 5.000 0.000 peak 7294 weight 0.10000E+01 volume -0.10320E+01 ppm1 1.989 ppm2 4.242 ASSI ( (segid " " and resid "31 " and name "HB2 ") )( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") ) 3.300 3.300 0.000 peak 7302 weight 0.10000E+01 volume -0.23410E+01 ppm1 1.987 ppm2 2.460 ASSI ( (segid " " and resid "55 " and name "HB1 ") )( (segid " " and resid "55 " and name "HB2 ") ) 2.700 2.700 0.000 peak 7920 weight 0.10000E+01 volume 0.46010E+01 ppm1 1.974 ppm2 1.787 ASSI ( (segid " " and resid "55 " and name "HB2 ") )( (segid " " and resid "55 " and name "HG2 ") ) 5.000 5.000 0.000 peak 7935 weight 0.10000E+01 volume -0.69100E+00 ppm1 1.792 ppm2 2.243 ASSI ( (segid " " and resid "55 " and name "HB1 ") )( (segid " " and resid "55 " and name "HG2 ") ) 5.000 5.000 0.000 peak 7936 weight 0.10000E+01 volume -0.69400E+00 ppm1 1.974 ppm2 2.243 ASSI ( (segid " " and resid "55 " and name "HB2 ") )( (segid " " and resid "55 " and name "HG1 ") ) 5.000 5.000 0.000 peak 7927 weight 0.10000E+01 volume -0.65600E+00 ppm1 1.787 ppm2 2.457 ASSI ( (segid " " and resid "55 " and name "HB2 ") )( (segid " " and resid "57 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7976 weight 0.10000E+01 volume 0.53500E+00 ppm1 1.791 ppm2 7.623 ASSI ( (segid " " and resid "55 " and name "HB1 ") )( (segid " " and resid "55 " and name "HG1 ") ) 5.000 5.000 0.000 peak 7928 weight 0.10000E+01 volume -0.55800E+00 ppm1 1.970 ppm2 2.457 ASSI ( (segid " " and resid "0 " and name "HG1 ") )( (segid " " and resid "0 " and name "HB2 ") OR (segid " " and resid "0 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2806 weight 0.10000E+01 volume -0.47900E+00 ppm1 2.501 ppm2 2.072 ASSI ( (segid " " and resid "0 " and name "HG2 ") )( (segid " " and resid "0 " and name "HB2 ") OR (segid " " and resid "0 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2805 weight 0.10000E+01 volume -0.45700E+00 ppm1 2.434 ppm2 2.072 ASSI ( (segid " " and resid "0 " and name "HG1 ") )( (segid " " and resid "0 " and name "HG2 ") ) 2.700 2.700 0.000 peak 8381 weight 0.10000E+01 volume 0.13097E+02 ppm1 2.502 ppm2 2.433 ASSI ( (segid " " and resid "74 " and name "HB2 ") )( (segid " " and resid "74 " and name "HG2 ") OR (segid " " and resid "74 " and name "HG1 ") ) 2.700 2.700 0.000 peak 8634 weight 0.10000E+01 volume 0.42420E+01 ppm1 1.781 ppm2 1.607 ASSI ( (segid " " and resid "74 " and name "HB1 ") )( (segid " " and resid "74 " and name "HG2 ") OR (segid " " and resid "74 " and name "HG1 ") ) 2.700 2.700 0.000 peak 8633 weight 0.10000E+01 volume 0.39700E+01 ppm1 1.850 ppm2 1.607 ASSI ( (segid " " and resid "58 " and name "HB ") )( (segid " " and resid "58 " and name "HA ") ) 5.000 5.000 0.000 peak 8038 weight 0.10000E+01 volume 0.37200E+00 ppm1 1.714 ppm2 2.565 ASSI ( (segid " " and resid "58 " and name "HB ") )( (segid " " and resid "53 " and name "HA ") ) 5.000 5.000 0.000 peak 7859 weight 0.10000E+01 volume 0.48100E+00 ppm1 1.707 ppm2 3.909 ASSI ( (segid " " and resid "47 " and name "HB1 ") )( (segid " " and resid "47 " and name "HA ") ) 5.000 5.000 0.000 peak 7689 weight 0.10000E+01 volume -0.48300E+00 ppm1 1.716 ppm2 4.413 ASSI ( (segid " " and resid "47 " and name "HB2 ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 6.000 6.000 0.000 peak 2436 weight 0.10000E+01 volume 0.13800E+00 ppm1 1.616 ppm2 1.355 ASSI ( (segid " " and resid "47 " and name "HB1 ") )( (segid " " and resid "47 " and name "HB2 ") ) 2.700 2.700 0.000 peak 7704 weight 0.10000E+01 volume 0.88080E+01 ppm1 1.713 ppm2 1.613 ASSI ( (segid " " and resid "47 " and name "HB1 ") )( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") ) 6.000 6.000 0.000 peak 8664 weight 0.10000E+01 volume 0.24200E+00 ppm1 1.718 ppm2 7.223 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "20 " and name "HA ") ) 6.000 6.000 0.000 peak 3547 weight 0.10000E+01 volume 0.94000E-01 ppm1 1.936 ppm2 4.124 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3152 weight 0.10000E+01 volume 0.13600E+00 ppm1 1.936 ppm2 1.423 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 7011 weight 0.10000E+01 volume 0.10090E+01 ppm1 1.941 ppm2 3.665 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 3.300 3.300 0.000 peak 7021 weight 0.10000E+01 volume 0.15640E+01 ppm1 1.937 ppm2 0.803 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "64 " and name "HD2 ") ) 6.000 6.000 0.000 peak 8408 weight 0.10000E+01 volume 0.18900E+00 ppm1 1.938 ppm2 6.936 ASSI ( (segid " " and resid "21 " and name "HB ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 7123 weight 0.10000E+01 volume 0.31200E+00 ppm1 1.932 ppm2 0.993 ASSI ( (segid " " and resid "53 " and name "HB2 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 6.000 6.000 0.000 peak 7416 weight 0.10000E+01 volume 0.21500E+00 ppm1 1.888 ppm2 0.669 ASSI ( (segid " " and resid "59 " and name "HB1 ") )( (segid " " and resid "59 " and name "HA ") ) 5.000 5.000 0.000 peak 8091 weight 0.10000E+01 volume 0.10350E+01 ppm1 1.792 ppm2 3.787 ASSI ( (segid " " and resid "59 " and name "HB2 ") )( (segid " " and resid "59 " and name "HA ") ) 5.000 5.000 0.000 peak 8090 weight 0.10000E+01 volume 0.14170E+01 ppm1 1.712 ppm2 3.787 ASSI ( (segid " " and resid "59 " and name "HB2 ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 7945 weight 0.10000E+01 volume -0.82700E+00 ppm1 1.719 ppm2 3.608 ASSI ( (segid " " and resid "53 " and name "HB1 ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7893 weight 0.10000E+01 volume -0.53500E+00 ppm1 2.004 ppm2 4.048 ASSI ( (segid " " and resid "53 " and name "HB1 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 7417 weight 0.10000E+01 volume 0.40000E+00 ppm1 2.019 ppm2 0.669 ASSI ( (segid " " and resid "59 " and name "HB1 ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 7946 weight 0.10000E+01 volume -0.71900E+00 ppm1 1.784 ppm2 3.608 ASSI ( (segid " " and resid "53 " and name "HB2 ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7892 weight 0.10000E+01 volume -0.57700E+00 ppm1 1.883 ppm2 4.048 ASSI ( (segid " " and resid "20 " and name "HB1 ") )( (segid " " and resid "20 " and name "HB2 ") ) 3.300 3.300 0.000 peak 6979 weight 0.10000E+01 volume 0.23860E+01 ppm1 2.279 ppm2 1.757 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "20 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7663 weight 0.10000E+01 volume -0.27100E+00 ppm1 1.766 ppm2 3.603 ASSI ( (segid " " and resid "20 " and name "HB1 ") )( (segid " " and resid "20 " and name "HD2 ") ) 5.000 5.000 0.000 peak 7679 weight 0.10000E+01 volume -0.30700E+00 ppm1 2.275 ppm2 3.444 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "20 " and name "HD2 ") ) 5.000 5.000 0.000 peak 7678 weight 0.10000E+01 volume -0.42700E+00 ppm1 1.764 ppm2 3.444 ASSI ( (segid " " and resid "20 " and name "HB1 ") )( (segid " " and resid "20 " and name "HA ") ) 5.000 5.000 0.000 peak 6956 weight 0.10000E+01 volume 0.61200E+00 ppm1 2.275 ppm2 4.125 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") ) 6.000 6.000 0.000 peak 3947 weight 0.10000E+01 volume 0.27400E+00 ppm1 1.762 ppm2 1.339 ASSI ( (segid " " and resid "20 " and name "HB2 ") )( (segid " " and resid "20 " and name "HA ") ) 5.000 5.000 0.000 peak 6950 weight 0.10000E+01 volume 0.33000E+00 ppm1 1.771 ppm2 4.125 ASSI ( (segid " " and resid "26 " and name "HB2 ") )( (segid " " and resid "26 " and name "HD2 ") ) 6.000 6.000 0.000 peak 7207 weight 0.10000E+01 volume 0.14400E+00 ppm1 3.143 ppm2 7.294 ASSI ( (segid " " and resid "26 " and name "HB2 ") )( (segid " " and resid "26 " and name "HB1 ") ) 2.700 2.700 0.000 peak 7199 weight 0.10000E+01 volume 0.41400E+01 ppm1 3.144 ppm2 3.347 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "18 " and name "HB2 ") ) 3.300 3.300 0.000 peak 6853 weight 0.10000E+01 volume 0.21490E+01 ppm1 0.778 ppm2 0.441 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "18 " and name "HA ") ) 5.000 5.000 0.000 peak 6833 weight 0.10000E+01 volume -0.86000E+00 ppm1 0.431 ppm2 0.675 ASSI ( (segid " " and resid "18 " and name "HB1 ") )( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") ) 6.000 6.000 0.000 peak 6826 weight 0.10000E+01 volume 0.85000E-01 ppm1 0.770 ppm2 3.806 ASSI ( (segid " " and resid "18 " and name "HB2 ") )( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") ) 6.000 6.000 0.000 peak 6824 weight 0.10000E+01 volume 0.62000E-01 ppm1 0.444 ppm2 3.805 ASSI ( (segid " " and resid "26 " and name "HB1 ") )( (segid " " and resid "26 " and name "HA ") ) 5.000 5.000 0.000 peak 7192 weight 0.10000E+01 volume -0.96800E+00 ppm1 3.349 ppm2 5.004 ASSI ( (segid " " and resid "26 " and name "HB2 ") )( (segid " " and resid "26 " and name "HA ") ) 5.000 5.000 0.000 peak 7191 weight 0.10000E+01 volume -0.85600E+00 ppm1 3.145 ppm2 4.998 ASSI ( (segid " " and resid "28 " and name "HB1 ") )( (segid " " and resid "28 " and name "HA ") ) 5.000 5.000 0.000 peak 7270 weight 0.10000E+01 volume -0.97900E+00 ppm1 2.005 ppm2 4.482 ASSI ( (segid " " and resid "5 " and name "HB ") )( (segid " " and resid "5 " and name "HG13") OR (segid " " and resid "5 " and name "HG12") OR (segid " " and resid "5 " and name "HG11") ) 3.300 3.300 0.000 peak 2811 weight 0.10000E+01 volume 0.15500E+01 ppm1 2.033 ppm2 0.882 ASSI ( (segid " " and resid "5 " and name "HB ") )( (segid " " and resid "5 " and name "HA ") ) 5.000 5.000 0.000 peak 2808 weight 0.10000E+01 volume 0.57500E+00 ppm1 2.037 ppm2 4.173 ASSI ( (segid " " and resid "28 " and name "HG1 ") )( (segid " " and resid "40 " and name "HB ") ) 6.000 6.000 0.000 peak 1812 weight 0.10000E+01 volume -0.26100E+00 ppm1 2.291 ppm2 1.975 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "28 " and name "HA ") ) 5.000 5.000 0.000 peak 7271 weight 0.10000E+01 volume -0.70500E+00 ppm1 2.148 ppm2 4.477 ASSI ( (segid " " and resid "7 " and name "HB2 ") )( (segid " " and resid "7 " and name "HA ") ) 5.000 5.000 0.000 peak 8616 weight 0.10000E+01 volume -0.65700E+00 ppm1 1.666 ppm2 4.242 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "42 " and name "HA ") ) 5.000 5.000 0.000 peak 7573 weight 0.10000E+01 volume -0.31300E+00 ppm1 1.778 ppm2 5.626 ASSI ( (segid " " and resid "7 " and name "HB1 ") )( (segid " " and resid "7 " and name "HA ") ) 5.000 5.000 0.000 peak 8617 weight 0.10000E+01 volume -0.73800E+00 ppm1 1.724 ppm2 4.242 ASSI ( (segid " " and resid "42 " and name "HB1 ") )( (segid " " and resid "42 " and name "HA ") ) 6.000 6.000 0.000 peak 7574 weight 0.10000E+01 volume -0.20800E+00 ppm1 1.959 ppm2 5.626 ASSI ( (segid " " and resid "5 " and name "HB ") )( (segid " " and resid "0 " and name "HG1 ") ) 5.000 5.000 0.000 peak 2804 weight 0.10000E+01 volume -0.81100E+00 ppm1 2.076 ppm2 2.503 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "42 " and name "HG2 ") ) 6.000 6.000 0.000 peak 7587 weight 0.10000E+01 volume -0.28600E+00 ppm1 1.771 ppm2 2.094 ASSI ( (segid " " and resid "28 " and name "HG2 ") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") ) 6.000 6.000 0.000 peak 7474 weight 0.10000E+01 volume 0.14600E+00 ppm1 2.151 ppm2 0.833 ASSI ( (segid " " and resid "28 " and name "HG1 ") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") ) 6.000 6.000 0.000 peak 7475 weight 0.10000E+01 volume 0.10400E+00 ppm1 2.290 ppm2 0.833 ASSI ( (segid " " and resid "42 " and name "HB2 ") )( (segid " " and resid "42 " and name "HG1 ") ) 6.000 6.000 0.000 peak 7580 weight 0.10000E+01 volume -0.19500E+00 ppm1 1.769 ppm2 2.721 ASSI ( (segid " " and resid "5 " and name "HB ") )( (segid " " and resid "0 " and name "HG2 ") ) 5.000 5.000 0.000 peak 2803 weight 0.10000E+01 volume -0.38800E+00 ppm1 2.075 ppm2 2.433 ASSI ( (segid " " and resid "15 " and name "HB2 ") )( (segid " " and resid "15 " and name "HA ") ) 6.000 6.000 0.000 peak 3429 weight 0.10000E+01 volume -0.24500E+00 ppm1 2.147 ppm2 4.821 ASSI ( (segid " " and resid "28 " and name "HG1 ") )( (segid " " and resid "28 " and name "HA ") ) 6.000 6.000 0.000 peak 7272 weight 0.10000E+01 volume -0.26300E+00 ppm1 2.291 ppm2 4.477 ASSI ( (segid " " and resid "15 " and name "HB1 ") )( (segid " " and resid "15 " and name "HA ") ) 6.000 6.000 0.000 peak 3431 weight 0.10000E+01 volume -0.20200E+00 ppm1 2.280 ppm2 4.821 ASSI ( (segid " " and resid "56 " and name "HG2 ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 7949 weight 0.10000E+01 volume -0.54900E+00 ppm1 2.400 ppm2 3.608 ASSI ( (segid " " and resid "42 " and name "HB1 ") )( (segid " " and resid "42 " and name "HG1 ") ) 6.000 6.000 0.000 peak 7581 weight 0.10000E+01 volume -0.21200E+00 ppm1 1.961 ppm2 2.721 ASSI ( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") )( (segid " " and resid "57 " and name "HA ") ) 6.000 6.000 0.000 peak 7960 weight 0.10000E+01 volume -0.91000E-01 ppm1 2.395 ppm2 4.450 ASSI ( (segid " " and resid "42 " and name "HB1 ") )( (segid " " and resid "42 " and name "HG2 ") ) 5.000 5.000 0.000 peak 7588 weight 0.10000E+01 volume -0.31100E+00 ppm1 1.953 ppm2 2.094 ASSI ( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") )( (segid " " and resid "29 " and name "HB1 ") ) 2.700 2.700 0.000 peak 8592 weight 0.10000E+01 volume -0.37280E+01 ppm1 2.467 ppm2 2.170 ASSI ( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 7422 weight 0.10000E+01 volume -0.49700E+00 ppm1 2.466 ppm2 0.677 ASSI ( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") )( (segid " " and resid "29 " and name "HA ") ) 5.000 5.000 0.000 peak 8589 weight 0.10000E+01 volume 0.79800E+00 ppm1 2.468 ppm2 4.509 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "15 " and name "HG2 ") ) 3.300 3.300 0.000 peak 6732 weight 0.10000E+01 volume 0.21730E+01 ppm1 2.874 ppm2 2.549 ASSI ( (segid " " and resid "36 " and name "HB1 ") )( (segid " " and resid "36 " and name "HA ") ) 5.000 5.000 0.000 peak 7330 weight 0.10000E+01 volume 0.10020E+01 ppm1 1.677 ppm2 4.051 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "52 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7851 weight 0.10000E+01 volume 0.32700E+00 ppm1 2.875 ppm2 2.449 ASSI ( (segid " " and resid "36 " and name "HB2 ") )( (segid " " and resid "36 " and name "HA ") ) 5.000 5.000 0.000 peak 7329 weight 0.10000E+01 volume 0.61500E+00 ppm1 1.352 ppm2 4.051 ASSI ( (segid " " and resid "62 " and name "HB2 ") )( (segid " " and resid "62 " and name "HB1 ") ) 3.300 3.300 0.000 peak 8184 weight 0.10000E+01 volume 0.22500E+01 ppm1 1.854 ppm2 1.516 ASSI ( (segid " " and resid "15 " and name "HG2 ") )( (segid " " and resid "15 " and name "HA ") ) 6.000 6.000 0.000 peak 3436 weight 0.10000E+01 volume 0.23700E+00 ppm1 2.547 ppm2 4.821 ASSI ( (segid " " and resid "15 " and name "HG1 ") )( (segid " " and resid "15 " and name "HA ") ) 6.000 6.000 0.000 peak 3458 weight 0.10000E+01 volume 0.20800E+00 ppm1 2.874 ppm2 4.821 ASSI ( (segid " " and resid "62 " and name "HB2 ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 8643 weight 0.10000E+01 volume -0.44100E+00 ppm1 1.861 ppm2 3.358 ASSI ( (segid " " and resid "36 " and name "HB1 ") )( (segid " " and resid "36 " and name "HB2 ") ) 3.300 3.300 0.000 peak 7340 weight 0.10000E+01 volume 0.27380E+01 ppm1 1.676 ppm2 1.351 ASSI ( (segid " " and resid "62 " and name "HB1 ") )( (segid " " and resid "59 " and name "HA ") ) 6.000 6.000 0.000 peak 8085 weight 0.10000E+01 volume -0.16700E+00 ppm1 1.514 ppm2 3.791 ASSI ( (segid " " and resid "62 " and name "HB1 ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 8641 weight 0.10000E+01 volume -0.45400E+00 ppm1 1.520 ppm2 3.361 ASSI ( (segid " " and resid "63 " and name "HG1 ") )( (segid " " and resid "63 " and name "HA ") ) 5.000 5.000 0.000 peak 8225 weight 0.10000E+01 volume 0.32400E+00 ppm1 2.511 ppm2 4.061 ASSI ( (segid " " and resid "63 " and name "HG2 ") )( (segid " " and resid "63 " and name "HA ") ) 5.000 5.000 0.000 peak 8224 weight 0.10000E+01 volume 0.63300E+00 ppm1 2.308 ppm2 4.061 ASSI ( (segid " " and resid "63 " and name "HG1 ") )( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 3.300 3.300 0.000 peak 8230 weight 0.10000E+01 volume -0.22510E+01 ppm1 2.514 ppm2 2.131 ASSI ( (segid " " and resid "14 " and name "HB1 ") )( (segid " " and resid "14 " and name "HA ") ) 5.000 5.000 0.000 peak 6696 weight 0.10000E+01 volume 0.10550E+01 ppm1 1.842 ppm2 4.481 ASSI ( (segid " " and resid "14 " and name "HB2 ") )( (segid " " and resid "14 " and name "HA ") ) 5.000 5.000 0.000 peak 6695 weight 0.10000E+01 volume 0.10150E+01 ppm1 1.778 ppm2 4.481 ASSI ( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") )( (segid " " and resid "31 " and name "HB1 ") ) 2.700 2.700 0.000 peak 7297 weight 0.10000E+01 volume -0.34040E+01 ppm1 2.464 ppm2 2.194 ASSI ( (segid " " and resid "45 " and name "HG2 ") )( (segid " " and resid "45 " and name "HA ") ) 5.000 5.000 0.000 peak 7643 weight 0.10000E+01 volume 0.13470E+01 ppm1 2.367 ppm2 4.268 ASSI ( (segid " " and resid "45 " and name "HG2 ") )( (segid " " and resid "45 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7647 weight 0.10000E+01 volume -0.12910E+01 ppm1 2.359 ppm2 1.794 ASSI ( (segid " " and resid "45 " and name "HG1 ") )( (segid " " and resid "45 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7648 weight 0.10000E+01 volume -0.10380E+01 ppm1 2.425 ppm2 1.794 ASSI ( (segid " " and resid "42 " and name "HG1 ") )( (segid " " and resid "42 " and name "HG2 ") ) 5.000 5.000 0.000 peak 7589 weight 0.10000E+01 volume 0.14210E+01 ppm1 2.722 ppm2 2.094 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "42 " and name "HA ") ) 5.000 5.000 0.000 peak 7575 weight 0.10000E+01 volume 0.46800E+00 ppm1 2.094 ppm2 5.626 ASSI ( (segid " " and resid "42 " and name "HG1 ") )( (segid " " and resid "46 " and name "HA ") ) 5.000 5.000 0.000 peak 2653 weight 0.10000E+01 volume 0.56300E+00 ppm1 2.719 ppm2 4.404 ASSI ( (segid " " and resid "42 " and name "HG1 ") )( (segid " " and resid "42 " and name "HA ") ) 5.000 5.000 0.000 peak 7576 weight 0.10000E+01 volume 0.41000E+00 ppm1 2.723 ppm2 5.626 ASSI ( (segid " " and resid "42 " and name "HG2 ") )( (segid " " and resid "46 " and name "HA ") ) 5.000 5.000 0.000 peak 2648 weight 0.10000E+01 volume 0.42400E+00 ppm1 2.096 ppm2 4.404 ASSI ( (segid " " and resid "40 " and name "HB ") )( (segid " " and resid "40 " and name "HA ") ) 5.000 5.000 0.000 peak 7447 weight 0.10000E+01 volume 0.39800E+00 ppm1 1.977 ppm2 4.911 ASSI ( (segid " " and resid "40 " and name "HB ") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") ) 3.300 3.300 0.000 peak 7473 weight 0.10000E+01 volume -0.19970E+01 ppm1 1.973 ppm2 0.833 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "55 " and name "HA ") ) 5.000 5.000 0.000 peak 7913 weight 0.10000E+01 volume 0.72400E+00 ppm1 2.244 ppm2 4.151 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "52 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7843 weight 0.10000E+01 volume 0.36600E+00 ppm1 2.246 ppm2 3.052 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "52 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7844 weight 0.10000E+01 volume 0.51000E+00 ppm1 2.455 ppm2 3.052 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "55 " and name "HA ") ) 5.000 5.000 0.000 peak 7912 weight 0.10000E+01 volume 0.33700E+00 ppm1 2.459 ppm2 4.151 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "55 " and name "HG2 ") ) 2.700 2.700 0.000 peak 7938 weight 0.10000E+01 volume 0.33240E+01 ppm1 2.459 ppm2 2.243 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 2205 weight 0.10000E+01 volume -0.15400E+00 ppm1 2.247 ppm2 -0.831 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "57 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7978 weight 0.10000E+01 volume -0.11200E+00 ppm1 2.244 ppm2 7.611 ASSI ( (segid " " and resid "55 " and name "HG2 ") )( (segid " " and resid "52 " and name "HB2 ") ) 6.000 6.000 0.000 peak 7847 weight 0.10000E+01 volume 0.11100E+00 ppm1 2.245 ppm2 2.449 ASSI ( (segid " " and resid "55 " and name "HG1 ") )( (segid " " and resid "57 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7979 weight 0.10000E+01 volume -0.52000E-01 ppm1 2.460 ppm2 7.605 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "39 " and name "HA ") ) 5.000 5.000 0.000 peak 7389 weight 0.10000E+01 volume 0.47000E+00 ppm1 1.700 ppm2 4.492 ASSI ( (segid " " and resid "39 " and name "HB ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 7411 weight 0.10000E+01 volume -0.38500E+00 ppm1 1.702 ppm2 0.681 ASSI ( (segid " " and resid "30 " and name "HB1 ") )( (segid " " and resid "30 " and name "HA ") ) 5.000 5.000 0.000 peak 3468 weight 0.10000E+01 volume 0.46700E+00 ppm1 2.833 ppm2 4.734 ASSI ( (segid " " and resid "30 " and name "HB2 ") )( (segid " " and resid "30 " and name "HA ") ) 5.000 5.000 0.000 peak 3467 weight 0.10000E+01 volume 0.45300E+00 ppm1 2.711 ppm2 4.734 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "8 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8437 weight 0.10000E+01 volume 0.24700E+00 ppm1 3.818 ppm2 2.932 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "34 " and name "HB2 ") ) 3.300 3.300 0.000 peak 7323 weight 0.10000E+01 volume 0.18870E+01 ppm1 3.822 ppm2 2.992 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "11 " and name "HA ") ) 6.000 6.000 0.000 peak 6668 weight 0.10000E+01 volume -0.28200E+00 ppm1 2.997 ppm2 4.484 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "11 " and name "HA ") ) 5.000 5.000 0.000 peak 6669 weight 0.10000E+01 volume -0.55800E+00 ppm1 3.817 ppm2 4.481 ASSI ( (segid " " and resid "34 " and name "HB2 ") )( (segid " " and resid "34 " and name "HA ") ) 5.000 5.000 0.000 peak 7311 weight 0.10000E+01 volume 0.12700E+01 ppm1 2.993 ppm2 5.035 ASSI ( (segid " " and resid "34 " and name "HB1 ") )( (segid " " and resid "8 " and name "HB2 ") ) 5.000 5.000 0.000 peak 6766 weight 0.10000E+01 volume 0.35400E+00 ppm1 3.814 ppm2 2.626 ASSI ( (segid " " and resid "66 " and name "HB1 ") )( (segid " " and resid "66 " and name "HA ") ) 5.000 5.000 0.000 peak 8307 weight 0.10000E+01 volume 0.56900E+00 ppm1 2.690 ppm2 4.528 ASSI ( (segid " " and resid "66 " and name "HB2 ") )( (segid " " and resid "66 " and name "HA ") ) 5.000 5.000 0.000 peak 8308 weight 0.10000E+01 volume 0.46600E+00 ppm1 2.897 ppm2 4.528 ASSI ( (segid " " and resid "66 " and name "HB2 ") )( (segid " " and resid "63 " and name "HA ") ) 5.000 5.000 0.000 peak 8227 weight 0.10000E+01 volume 0.57400E+00 ppm1 2.894 ppm2 4.061 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "12 " and name "HB1 ") ) 3.300 3.300 0.000 peak 6689 weight 0.10000E+01 volume 0.17190E+01 ppm1 3.032 ppm2 2.629 ASSI ( (segid " " and resid "66 " and name "HB1 ") )( (segid " " and resid "63 " and name "HA ") ) 5.000 5.000 0.000 peak 8226 weight 0.10000E+01 volume 0.46900E+00 ppm1 2.685 ppm2 4.061 ASSI ( (segid " " and resid "12 " and name "HB1 ") )( (segid " " and resid "12 " and name "HA ") ) 5.000 5.000 0.000 peak 6681 weight 0.10000E+01 volume 0.32400E+00 ppm1 2.627 ppm2 5.062 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "12 " and name "HA ") ) 5.000 5.000 0.000 peak 3648 weight 0.10000E+01 volume 0.47600E+00 ppm1 3.041 ppm2 5.057 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "50 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7809 weight 0.10000E+01 volume 0.88000E-01 ppm1 3.027 ppm2 2.529 ASSI ( (segid " " and resid "12 " and name "HB2 ") )( (segid " " and resid "50 " and name "HB2 ") ) 6.000 6.000 0.000 peak 7804 weight 0.10000E+01 volume 0.15600E+00 ppm1 3.026 ppm2 3.698 ASSI ( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") )( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8231 weight 0.10000E+01 volume -0.24100E+00 ppm1 2.689 ppm2 2.140 ASSI ( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") )( (segid " " and resid "60 " and name "HA ") ) 3.300 3.300 0.000 peak 8144 weight 0.10000E+01 volume 0.24390E+01 ppm1 2.691 ppm2 4.306 ASSI ( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") )( (segid " " and resid "57 " and name "HA ") ) 5.000 5.000 0.000 peak 7959 weight 0.10000E+01 volume 0.11590E+01 ppm1 2.695 ppm2 4.450 ASSI ( (segid " " and resid "10 " and name "HB ") )( (segid " " and resid "9 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8441 weight 0.10000E+01 volume 0.10300E+00 ppm1 1.732 ppm2 2.706 ASSI ( (segid " " and resid "10 " and name "HB ") )( (segid " " and resid "10 " and name "HA ") ) 5.000 5.000 0.000 peak 6638 weight 0.10000E+01 volume -0.91200E+00 ppm1 1.732 ppm2 4.227 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") ) 3.300 3.300 0.000 peak 7182 weight 0.10000E+01 volume -0.23370E+01 ppm1 1.772 ppm2 0.699 ASSI ( (segid " " and resid "65 " and name "HB2 ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7245 weight 0.10000E+01 volume -0.74600E+00 ppm1 2.113 ppm2 6.711 ASSI ( (segid " " and resid "8 " and name "HB2 ") )( (segid " " and resid "34 " and name "HA ") ) 5.000 5.000 0.000 peak 3589 weight 0.10000E+01 volume 0.43200E+00 ppm1 2.626 ppm2 5.042 ASSI ( (segid " " and resid "8 " and name "HB1 ") )( (segid " " and resid "34 " and name "HA ") ) 6.000 6.000 0.000 peak 3587 weight 0.10000E+01 volume 0.24800E+00 ppm1 2.933 ppm2 5.038 ASSI ( (segid " " and resid "65 " and name "HB2 ") )( (segid " " and resid "65 " and name "HB1 ") ) 3.300 3.300 0.000 peak 8275 weight 0.10000E+01 volume 0.15870E+01 ppm1 2.112 ppm2 1.690 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "44 " and name "HA ") ) 5.000 5.000 0.000 peak 2821 weight 0.10000E+01 volume 0.30500E+00 ppm1 1.777 ppm2 3.775 ASSI ( (segid " " and resid "8 " and name "HB2 ") )( (segid " " and resid "8 " and name "HA ") ) 5.000 5.000 0.000 peak 6626 weight 0.10000E+01 volume 0.56600E+00 ppm1 2.622 ppm2 4.603 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "25 " and name "HA ") ) 3.300 3.300 0.000 peak 7147 weight 0.10000E+01 volume -0.18840E+01 ppm1 1.774 ppm2 4.686 ASSI ( (segid " " and resid "65 " and name "HB1 ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") ) 5.000 5.000 0.000 peak 8284 weight 0.10000E+01 volume -0.12140E+01 ppm1 1.686 ppm2 0.824 ASSI ( (segid " " and resid "8 " and name "HB1 ") )( (segid " " and resid "8 " and name "HA ") ) 5.000 5.000 0.000 peak 6627 weight 0.10000E+01 volume 0.75400E+00 ppm1 2.933 ppm2 4.604 ASSI ( (segid " " and resid "25 " and name "HB ") )( (segid " " and resid "25 " and name "HG12") ) 5.000 5.000 0.000 peak 7162 weight 0.10000E+01 volume -0.46000E+00 ppm1 1.770 ppm2 0.620 ASSI ( (segid " " and resid "65 " and name "HB1 ") )( (segid " " and resid "65 " and name "HA ") ) 5.000 5.000 0.000 peak 8255 weight 0.10000E+01 volume 0.85700E+00 ppm1 1.694 ppm2 4.030 ASSI ( (segid " " and resid "8 " and name "HB2 ") )( (segid " " and resid "8 " and name "HB1 ") ) 2.700 2.700 0.000 peak 6628 weight 0.10000E+01 volume 0.44870E+01 ppm1 2.622 ppm2 2.932 ASSI ( (segid " " and resid "65 " and name "HB2 ") )( (segid " " and resid "65 " and name "HA ") ) 5.000 5.000 0.000 peak 8259 weight 0.10000E+01 volume 0.67000E+00 ppm1 2.114 ppm2 4.030 ASSI ( (segid " " and resid "54 " and name "HE2 ") OR (segid " " and resid "54 " and name "HE1 ") )( (segid " " and resid "54 " and name "HB2 ") OR (segid " " and resid "54 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7904 weight 0.10000E+01 volume -0.43900E+00 ppm1 2.961 ppm2 1.720 ASSI ( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") )( (segid " " and resid "18 " and name "HB1 ") ) 6.000 6.000 0.000 peak 6848 weight 0.10000E+01 volume -0.26200E+00 ppm1 2.751 ppm2 0.768 ASSI ( (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") )( (segid " " and resid "18 " and name "HB2 ") ) 6.000 6.000 0.000 peak 6855 weight 0.10000E+01 volume -0.14600E+00 ppm1 2.749 ppm2 0.435 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") )( (segid " " and resid "54 " and name "HA ") ) 5.000 5.000 0.000 peak 7901 weight 0.10000E+01 volume 0.11890E+01 ppm1 2.802 ppm2 3.986 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") )( (segid " " and resid "59 " and name "HB2 ") OR (segid " " and resid "59 " and name "HB1 ") ) 5.000 5.000 0.000 peak 3079 weight 0.10000E+01 volume -0.68600E+00 ppm1 2.802 ppm2 1.748 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") )( (segid " " and resid "59 " and name "HD2 ") ) 3.300 3.300 0.000 peak 8133 weight 0.10000E+01 volume -0.15670E+01 ppm1 2.803 ppm2 1.407 ASSI ( (segid " " and resid "7 " and name "HE2 ") OR (segid " " and resid "7 " and name "HE1 ") )( (segid " " and resid "7 " and name "HG2 ") OR (segid " " and resid "7 " and name "HG1 ") ) 5.000 5.000 0.000 peak 6762 weight 0.10000E+01 volume -0.84600E+00 ppm1 2.912 ppm2 1.294 ASSI ( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 7950 weight 0.10000E+01 volume 0.41600E+00 ppm1 2.801 ppm2 3.608 ASSI ( (segid " " and resid "7 " and name "HE2 ") OR (segid " " and resid "7 " and name "HE1 ") )( (segid " " and resid "7 " and name "HD2 ") OR (segid " " and resid "7 " and name "HD1 ") ) 5.000 5.000 0.000 peak 8433 weight 0.10000E+01 volume -0.56200E+00 ppm1 2.911 ppm2 1.597 ASSI ( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") )( (segid " " and resid "36 " and name "HD2 ") OR (segid " " and resid "36 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7349 weight 0.10000E+01 volume -0.87400E+00 ppm1 2.995 ppm2 1.572 ASSI ( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") )( (segid " " and resid "36 " and name "HG1 ") ) 5.000 5.000 0.000 peak 7345 weight 0.10000E+01 volume -0.10200E+01 ppm1 2.985 ppm2 1.470 ASSI ( (segid " " and resid "36 " and name "HE2 ") OR (segid " " and resid "36 " and name "HE1 ") )( (segid " " and resid "36 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7335 weight 0.10000E+01 volume 0.15000E+00 ppm1 2.984 ppm2 1.667 ASSI ( (segid " " and resid "27 " and name "HB2 ") )( (segid " " and resid "27 " and name "HA ") ) 5.000 5.000 0.000 peak 7213 weight 0.10000E+01 volume 0.48000E+00 ppm1 2.825 ppm2 5.903 ASSI ( (segid " " and resid "27 " and name "HB1 ") )( (segid " " and resid "27 " and name "HA ") ) 5.000 5.000 0.000 peak 7212 weight 0.10000E+01 volume 0.48700E+00 ppm1 2.560 ppm2 5.903 ASSI ( (segid " " and resid "27 " and name "HB2 ") )( (segid " " and resid "27 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7228 weight 0.10000E+01 volume 0.17460E+01 ppm1 2.818 ppm2 2.556 ASSI ( (segid " " and resid "27 " and name "HB1 ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 6.000 6.000 0.000 peak 7266 weight 0.10000E+01 volume -0.11300E+00 ppm1 2.555 ppm2 6.799 ASSI ( (segid " " and resid "72 " and name "HB2 ") )( (segid " " and resid "72 " and name "HB1 ") ) 2.700 2.700 0.000 peak 3521 weight 0.10000E+01 volume 0.62310E+01 ppm1 1.623 ppm2 1.742 ASSI ( (segid " " and resid "72 " and name "HB1 ") )( (segid " " and resid "72 " and name "HD23") OR (segid " " and resid "72 " and name "HD22") OR (segid " " and resid "72 " and name "HD21") ) 5.000 5.000 0.000 peak 3297 weight 0.10000E+01 volume -0.60300E+00 ppm1 1.723 ppm2 0.867 ASSI ( (segid " " and resid "72 " and name "HB1 ") )( (segid " " and resid "72 " and name "HA ") ) 5.000 5.000 0.000 peak 8358 weight 0.10000E+01 volume 0.83800E+00 ppm1 1.737 ppm2 4.315 ASSI ( (segid " " and resid "72 " and name "HB2 ") )( (segid " " and resid "72 " and name "HA ") ) 5.000 5.000 0.000 peak 8357 weight 0.10000E+01 volume 0.72300E+00 ppm1 1.617 ppm2 4.315 ASSI ( (segid " " and resid "19 " and name "HB ") )( (segid " " and resid "18 " and name "HA ") ) 6.000 6.000 0.000 peak 6837 weight 0.10000E+01 volume 0.21600E+00 ppm1 1.319 ppm2 0.676 ASSI ( (segid " " and resid "19 " and name "HB ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 7120 weight 0.10000E+01 volume -0.34900E+00 ppm1 1.317 ppm2 0.993 ASSI ( (segid " " and resid "52 " and name "HB2 ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7830 weight 0.10000E+01 volume -0.19200E+00 ppm1 2.451 ppm2 1.073 ASSI ( (segid " " and resid "19 " and name "HB ") )( (segid " " and resid "19 " and name "HA ") ) 5.000 5.000 0.000 peak 6890 weight 0.10000E+01 volume 0.40100E+00 ppm1 1.320 ppm2 4.143 ASSI ( (segid " " and resid "52 " and name "HB1 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 2228 weight 0.10000E+01 volume -0.18400E+00 ppm1 3.054 ppm2 -0.842 ASSI ( (segid " " and resid "52 " and name "HB1 ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7896 weight 0.10000E+01 volume 0.27700E+00 ppm1 3.046 ppm2 4.026 ASSI ( (segid " " and resid "19 " and name "HB ") )( (segid " " and resid "19 " and name "HG12") ) 5.000 5.000 0.000 peak 6921 weight 0.10000E+01 volume -0.45300E+00 ppm1 1.319 ppm2 0.531 ASSI ( (segid " " and resid "52 " and name "HB1 ") )( (segid " " and resid "52 " and name "HB2 ") ) 3.300 3.300 0.000 peak 7850 weight 0.10000E+01 volume 0.27960E+01 ppm1 3.054 ppm2 2.449 ASSI ( (segid " " and resid "52 " and name "HB2 ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7895 weight 0.10000E+01 volume 0.26100E+00 ppm1 2.450 ppm2 4.048 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "23 " and name "HA ") ) 3.300 3.300 0.000 peak 7053 weight 0.10000E+01 volume 0.25630E+01 ppm1 1.715 ppm2 4.247 ASSI ( (segid " " and resid "52 " and name "HB2 ") )( (segid " " and resid "52 " and name "HA ") ) 5.000 5.000 0.000 peak 2999 weight 0.10000E+01 volume 0.46600E+00 ppm1 2.450 ppm2 4.760 ASSI ( (segid " " and resid "52 " and name "HB1 ") )( (segid " " and resid "52 " and name "HA ") ) 5.000 5.000 0.000 peak 2998 weight 0.10000E+01 volume 0.43000E+00 ppm1 3.052 ppm2 4.760 ASSI ( (segid " " and resid "52 " and name "HB2 ") )( (segid " " and resid "55 " and name "HG1 ") ) 5.000 5.000 0.000 peak 7930 weight 0.10000E+01 volume 0.38100E+00 ppm1 2.455 ppm2 2.457 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 3360 weight 0.10000E+01 volume -0.19200E+00 ppm1 1.708 ppm2 4.860 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") ) 3.300 3.300 0.000 peak 3248 weight 0.10000E+01 volume -0.17610E+01 ppm1 1.705 ppm2 0.819 ASSI ( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") )( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") ) 3.300 3.300 0.000 peak 3342 weight 0.10000E+01 volume -0.25110E+01 ppm1 1.706 ppm2 0.880 ASSI ( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") )( (segid " " and resid "47 " and name "HB1 ") ) 5.000 5.000 0.000 peak 7698 weight 0.10000E+01 volume -0.94800E+00 ppm1 3.169 ppm2 1.717 ASSI ( (segid " " and resid "47 " and name "HD2 ") )( (segid " " and resid "47 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7705 weight 0.10000E+01 volume -0.71900E+00 ppm1 3.165 ppm2 1.613 ASSI ( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") )( (segid " " and resid "47 " and name "HA ") ) 5.000 5.000 0.000 peak 7690 weight 0.10000E+01 volume 0.41700E+00 ppm1 3.168 ppm2 4.413 ASSI ( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") )( (segid " " and resid "44 " and name "HA ") ) 6.000 6.000 0.000 peak 7625 weight 0.10000E+01 volume 0.25400E+00 ppm1 3.185 ppm2 3.776 ASSI ( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") )( (segid " " and resid "67 " and name "HB2 ") OR (segid " " and resid "67 " and name "HB1 ") ) 3.300 3.300 0.000 peak 8324 weight 0.10000E+01 volume -0.27670E+01 ppm1 3.149 ppm2 1.881 ASSI ( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") )( (segid " " and resid "23 " and name "HA ") ) 5.000 5.000 0.000 peak 2853 weight 0.10000E+01 volume 0.65300E+00 ppm1 3.192 ppm2 4.246 ASSI ( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") )( (segid " " and resid "47 " and name "HG2 ") ) 3.300 3.300 0.000 peak 7714 weight 0.10000E+01 volume -0.23280E+01 ppm1 3.167 ppm2 1.394 ASSI ( (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") )( (segid " " and resid "37 " and name "HA ") ) 5.000 5.000 0.000 peak 7359 weight 0.10000E+01 volume 0.56700E+00 ppm1 3.190 ppm2 4.180 ASSI ( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") )( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 2.700 2.700 0.000 peak 7631 weight 0.10000E+01 volume -0.50940E+01 ppm1 3.198 ppm2 1.578 ASSI ( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") )( (segid " " and resid "67 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8320 weight 0.10000E+01 volume -0.11650E+01 ppm1 3.156 ppm2 1.808 ASSI ( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") )( (segid " " and resid "67 " and name "HA ") ) 5.000 5.000 0.000 peak 8319 weight 0.10000E+01 volume 0.40500E+00 ppm1 3.149 ppm2 4.117 ASSI ( (segid " " and resid "48 " and name "HB2 ") )( (segid " " and resid "48 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7750 weight 0.10000E+01 volume 0.22330E+01 ppm1 1.572 ppm2 1.022 ASSI ( (segid " " and resid "48 " and name "HB1 ") )( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") ) 5.000 5.000 0.000 peak 2881 weight 0.10000E+01 volume -0.37900E+00 ppm1 1.029 ppm2 0.750 ASSI ( (segid " " and resid "48 " and name "HB1 ") )( (segid " " and resid "48 " and name "HA ") ) 5.000 5.000 0.000 peak 7728 weight 0.10000E+01 volume 0.68500E+00 ppm1 1.024 ppm2 5.462 ASSI ( (segid " " and resid "48 " and name "HB2 ") )( (segid " " and resid "48 " and name "HA ") ) 5.000 5.000 0.000 peak 7729 weight 0.10000E+01 volume 0.54300E+00 ppm1 1.570 ppm2 5.462 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 5.000 5.000 0.000 peak 8522 weight 0.10000E+01 volume -0.36300E+00 ppm1 3.101 ppm2 0.248 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "49 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7783 weight 0.10000E+01 volume 0.22440E+01 ppm1 2.565 ppm2 3.103 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "41 " and name "HB2 ") ) 6.000 6.000 0.000 peak 7513 weight 0.10000E+01 volume 0.24400E+00 ppm1 2.563 ppm2 1.824 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 5.000 5.000 0.000 peak 8521 weight 0.10000E+01 volume -0.37400E+00 ppm1 2.565 ppm2 0.248 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "49 " and name "HA ") ) 5.000 5.000 0.000 peak 7780 weight 0.10000E+01 volume 0.10060E+01 ppm1 3.108 ppm2 4.697 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "49 " and name "HA ") ) 5.000 5.000 0.000 peak 7779 weight 0.10000E+01 volume 0.63900E+00 ppm1 2.565 ppm2 4.697 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "24 " and name "HG ") ) 5.000 5.000 0.000 peak 7111 weight 0.10000E+01 volume -0.42300E+00 ppm1 1.292 ppm2 1.916 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "16 " and name "HB ") ) 5.000 5.000 0.000 peak 6802 weight 0.10000E+01 volume -0.67400E+00 ppm1 3.099 ppm2 4.298 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") ) 5.000 5.000 0.000 peak 3142 weight 0.10000E+01 volume -0.47900E+00 ppm1 1.290 ppm2 0.821 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 2236 weight 0.10000E+01 volume -0.46400E+00 ppm1 2.166 ppm2 0.804 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "24 " and name "HB2 ") ) 3.300 3.300 0.000 peak 7104 weight 0.10000E+01 volume 0.19050E+01 ppm1 2.170 ppm2 1.289 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 7118 weight 0.10000E+01 volume -0.10590E+01 ppm1 1.288 ppm2 0.993 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 7012 weight 0.10000E+01 volume -0.41000E+00 ppm1 2.167 ppm2 3.672 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "16 " and name "HB ") ) 5.000 5.000 0.000 peak 6801 weight 0.10000E+01 volume -0.43600E+00 ppm1 2.563 ppm2 4.296 ASSI ( (segid " " and resid "49 " and name "HB1 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 6.000 6.000 0.000 peak 3941 weight 0.10000E+01 volume -0.12400E+00 ppm1 3.116 ppm2 0.854 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "24 " and name "HA ") ) 5.000 5.000 0.000 peak 1962 weight 0.10000E+01 volume 0.43300E+00 ppm1 1.293 ppm2 4.677 ASSI ( (segid " " and resid "24 " and name "HB1 ") )( (segid " " and resid "24 " and name "HA ") ) 5.000 5.000 0.000 peak 1963 weight 0.10000E+01 volume 0.49200E+00 ppm1 2.170 ppm2 4.677 ASSI ( (segid " " and resid "41 " and name "HB2 ") )( (segid " " and resid "41 " and name "HA ") ) 6.000 6.000 0.000 peak 7498 weight 0.10000E+01 volume 0.29200E+00 ppm1 1.827 ppm2 4.975 ASSI ( (segid " " and resid "41 " and name "HB1 ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") ) 5.000 5.000 0.000 peak 7555 weight 0.10000E+01 volume -0.31100E+00 ppm1 1.490 ppm2 0.753 ASSI ( (segid " " and resid "41 " and name "HB2 ") )( (segid " " and resid "40 " and name "HA ") ) 6.000 6.000 0.000 peak 7445 weight 0.10000E+01 volume 0.11300E+00 ppm1 1.837 ppm2 4.918 ASSI ( (segid " " and resid "49 " and name "HB2 ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 6.000 6.000 0.000 peak 2620 weight 0.10000E+01 volume -0.68000E-01 ppm1 2.562 ppm2 0.853 ASSI ( (segid " " and resid "41 " and name "HB2 ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 6.000 6.000 0.000 peak 2943 weight 0.10000E+01 volume -0.11800E+00 ppm1 1.840 ppm2 1.080 ASSI ( (segid " " and resid "24 " and name "HB2 ") )( (segid " " and resid "21 " and name "HA ") ) 6.000 6.000 0.000 peak 7007 weight 0.10000E+01 volume -0.14800E+00 ppm1 1.288 ppm2 3.678 ASSI ( (segid " " and resid "41 " and name "HB1 ") )( (segid " " and resid "41 " and name "HA ") ) 6.000 6.000 0.000 peak 7497 weight 0.10000E+01 volume 0.19400E+00 ppm1 1.485 ppm2 4.975 ASSI ( (segid " " and resid "35 " and name "HA1 ") )( (segid " " and resid "35 " and name "HA2 ") ) 2.700 2.700 0.000 peak 7328 weight 0.10000E+01 volume 0.47410E+01 ppm1 4.283 ppm2 3.658 ASSI ( (segid " " and resid "4 " and name "HA2 ") )( (segid " " and resid "4 " and name "HA1 ") ) 2.700 2.700 0.000 peak 8423 weight 0.10000E+01 volume 0.39761E+02 ppm1 3.905 ppm2 3.975 ASSI ( (segid " " and resid "35 " and name "HA1 ") )( (segid " " and resid "11 " and name "HA ") ) 5.000 5.000 0.000 peak 3795 weight 0.10000E+01 volume -0.38300E+00 ppm1 4.287 ppm2 4.485 ASSI ( (segid " " and resid "50 " and name "HB1 ") )( (segid " " and resid "50 " and name "HA ") ) 5.000 5.000 0.000 peak 7798 weight 0.10000E+01 volume 0.80500E+00 ppm1 2.532 ppm2 5.123 ASSI ( (segid " " and resid "50 " and name "HB2 ") )( (segid " " and resid "12 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6690 weight 0.10000E+01 volume 0.30500E+00 ppm1 3.729 ppm2 2.639 ASSI ( (segid " " and resid "50 " and name "HB1 ") )( (segid " " and resid "12 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6688 weight 0.10000E+01 volume 0.41000E+00 ppm1 2.528 ppm2 2.634 ASSI ( (segid " " and resid "50 " and name "HB2 ") )( (segid " " and resid "50 " and name "HB1 ") ) 2.700 2.700 0.000 peak 7810 weight 0.10000E+01 volume 0.30290E+01 ppm1 3.728 ppm2 2.529 ASSI ( (segid " " and resid "50 " and name "HB1 ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 6.000 6.000 0.000 peak 6742 weight 0.10000E+01 volume -0.24400E+00 ppm1 2.533 ppm2 1.914 ASSI ( (segid " " and resid "50 " and name "HB2 ") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") ) 6.000 6.000 0.000 peak 7490 weight 0.10000E+01 volume -0.11700E+00 ppm1 3.723 ppm2 0.747 ASSI ( (segid " " and resid "50 " and name "HB2 ") )( (segid " " and resid "50 " and name "HA ") ) 5.000 5.000 0.000 peak 7799 weight 0.10000E+01 volume 0.74300E+00 ppm1 3.726 ppm2 5.120 ASSI ( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "53 " and name "HA ") ) 5.000 5.000 0.000 peak 8478 weight 0.10000E+01 volume -0.45200E+00 ppm1 4.055 ppm2 3.904 ASSI ( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") ) 3.300 3.300 0.000 peak 7887 weight 0.10000E+01 volume -0.18050E+01 ppm1 4.053 ppm2 1.800 ASSI ( (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "38 " and name "HA ") ) 5.000 5.000 0.000 peak 3386 weight 0.10000E+01 volume 0.82800E+00 ppm1 4.051 ppm2 4.635 ASSI ( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "52 " and name "HA ") ) 3.300 3.300 0.000 peak 3001 weight 0.10000E+01 volume 0.22360E+01 ppm1 4.048 ppm2 4.760 ASSI ( (segid " " and resid "53 " and name "HD1 ") )( (segid " " and resid "39 " and name "HG12") ) 5.000 5.000 0.000 peak 7439 weight 0.10000E+01 volume -0.49600E+00 ppm1 4.048 ppm2 1.267 ASSI ( (segid " " and resid "20 " and name "HD2 ") )( (segid " " and resid "19 " and name "HA ") ) 3.300 3.300 0.000 peak 6894 weight 0.10000E+01 volume 0.17290E+01 ppm1 3.442 ppm2 4.143 ASSI ( (segid " " and resid "20 " and name "HD1 ") )( (segid " " and resid "19 " and name "HA ") ) 3.300 3.300 0.000 peak 6895 weight 0.10000E+01 volume 0.22230E+01 ppm1 3.601 ppm2 4.143 ASSI ( (segid " " and resid "20 " and name "HD1 ") )( (segid " " and resid "23 " and name "HD13") OR (segid " " and resid "23 " and name "HD12") OR (segid " " and resid "23 " and name "HD11") ) 5.000 5.000 0.000 peak 7065 weight 0.10000E+01 volume -0.42500E+00 ppm1 3.601 ppm2 0.878 ASSI ( (segid " " and resid "20 " and name "HD1 ") )( (segid " " and resid "20 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6970 weight 0.10000E+01 volume -0.42400E+00 ppm1 3.596 ppm2 2.268 ASSI ( (segid " " and resid "20 " and name "HD1 ") )( (segid " " and resid "20 " and name "HD2 ") ) 2.700 2.700 0.000 peak 2352 weight 0.10000E+01 volume 0.45780E+01 ppm1 3.601 ppm2 3.444 ASSI ( (segid " " and resid "20 " and name "HD2 ") )( (segid " " and resid "19 " and name "HG11") ) 6.000 6.000 0.000 peak 6915 weight 0.10000E+01 volume -0.65000E-01 ppm1 3.441 ppm2 1.486 ASSI ( (segid " " and resid "20 " and name "HD2 ") )( (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") ) 6.000 6.000 0.000 peak 7076 weight 0.10000E+01 volume 0.15800E+00 ppm1 3.432 ppm2 1.704 ASSI ( (segid " " and resid "20 " and name "HD1 ") )( (segid " " and resid "19 " and name "HG11") ) 6.000 6.000 0.000 peak 6916 weight 0.10000E+01 volume -0.11000E+00 ppm1 3.592 ppm2 1.469 ASSI ( (segid " " and resid "20 " and name "HD2 ") )( (segid " " and resid "20 " and name "HA ") ) 6.000 6.000 0.000 peak 6957 weight 0.10000E+01 volume -0.61000E-01 ppm1 3.443 ppm2 4.125 ASSI ( (segid " " and resid "20 " and name "HD1 ") )( (segid " " and resid "20 " and name "HA ") ) 6.000 6.000 0.000 peak 6958 weight 0.10000E+01 volume -0.66000E-01 ppm1 3.599 ppm2 4.125 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "42 " and name "HA ") ) 5.000 5.000 0.000 peak 7577 weight 0.10000E+01 volume 0.11450E+01 ppm1 5.465 ppm2 5.626 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") ) 3.300 3.300 0.000 peak 7777 weight 0.10000E+01 volume -0.19000E+01 ppm1 5.466 ppm2 0.685 ASSI ( (segid " " and resid "48 " and name "HA ") )( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") ) 5.000 5.000 0.000 peak 7766 weight 0.10000E+01 volume -0.36100E+00 ppm1 5.463 ppm2 0.747 ASSI ( (segid " " and resid "34 " and name "HA ") )( (segid " " and resid "34 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7320 weight 0.10000E+01 volume 0.15350E+01 ppm1 5.042 ppm2 3.819 ASSI ( (segid " " and resid "71 " and name "HA ") OR (segid " " and resid "70 " and name "HA ") )( (segid " " and resid "73 " and name "HG23") OR (segid " " and resid "73 " and name "HG22") OR (segid " " and resid "73 " and name "HG21") ) 5.000 5.000 0.000 peak 8372 weight 0.10000E+01 volume -0.40800E+00 ppm1 4.219 ppm2 1.187 ASSI ( (segid " " and resid "42 " and name "HA ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 7615 weight 0.10000E+01 volume -0.43400E+00 ppm1 5.624 ppm2 1.355 ASSI ( (segid " " and resid "23 " and name "HA ") )( (segid " " and resid "23 " and name "HG ") ) 5.000 5.000 0.000 peak 8550 weight 0.10000E+01 volume -0.76500E+00 ppm1 4.248 ppm2 1.621 ASSI ( (segid " " and resid "47 " and name "HA ") )( (segid " " and resid "47 " and name "HB2 ") ) 3.300 3.300 0.000 peak 7706 weight 0.10000E+01 volume -0.16400E+01 ppm1 4.414 ppm2 1.613 ASSI ( (segid " " and resid "9 " and name "HA ") )( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") ) 2.700 2.700 0.000 peak 6633 weight 0.10000E+01 volume 0.33120E+01 ppm1 4.454 ppm2 2.714 ASSI ( (segid " " and resid "61 " and name "HA ") )( (segid " " and resid "64 " and name "HB2 ") OR (segid " " and resid "64 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8250 weight 0.10000E+01 volume -0.83700E+00 ppm1 4.006 ppm2 3.321 ASSI ( (segid " " and resid "61 " and name "HA ") )( (segid " " and resid "58 " and name "HA ") ) 6.000 6.000 0.000 peak 8039 weight 0.10000E+01 volume -0.78000E-01 ppm1 4.006 ppm2 2.545 ASSI ( (segid " " and resid "45 " and name "HA ") )( (segid " " and resid "46 " and name "HD2 ") ) 6.000 6.000 0.000 peak 8397 weight 0.10000E+01 volume -0.18100E+00 ppm1 4.266 ppm2 7.180 ASSI ( (segid " " and resid "27 " and name "HA ") )( (segid " " and resid "41 " and name "HA ") ) 5.000 5.000 0.000 peak 7504 weight 0.10000E+01 volume 0.55500E+00 ppm1 5.909 ppm2 4.975 ASSI ( (segid " " and resid "55 " and name "HA ") )( (segid " " and resid "56 " and name "HA ") ) 6.000 6.000 0.000 peak 7951 weight 0.10000E+01 volume 0.19000E+00 ppm1 4.150 ppm2 3.602 ASSI ( (segid " " and resid "55 " and name "HA ") )( (segid " " and resid "55 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7923 weight 0.10000E+01 volume -0.10040E+01 ppm1 4.151 ppm2 1.787 ASSI ( (segid " " and resid "36 " and name "HA ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 6.000 6.000 0.000 peak 6750 weight 0.10000E+01 volume -0.74000E-01 ppm1 4.045 ppm2 1.913 ASSI ( (segid " " and resid "55 " and name "HA ") )( (segid " " and resid "56 " and name "HB2 ") ) 5.000 5.000 0.000 peak 7954 weight 0.10000E+01 volume -0.34600E+00 ppm1 4.150 ppm2 2.259 ASSI ( (segid " " and resid "36 " and name "HA ") )( (segid " " and resid "36 " and name "HG1 ") ) 5.000 5.000 0.000 peak 7346 weight 0.10000E+01 volume -0.79400E+00 ppm1 4.054 ppm2 1.470 ASSI ( (segid " " and resid "46 " and name "HA ") )( (segid " " and resid "46 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7681 weight 0.10000E+01 volume -0.15360E+01 ppm1 4.408 ppm2 3.329 ASSI ( (segid " " and resid "54 " and name "HA ") )( (segid " " and resid "54 " and name "HB2 ") OR (segid " " and resid "54 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7905 weight 0.10000E+01 volume -0.29490E+01 ppm1 3.991 ppm2 1.720 ASSI ( (segid " " and resid "19 " and name "HA ") )( (segid " " and resid "18 " and name "HA ") ) 6.000 6.000 0.000 peak 6841 weight 0.10000E+01 volume 0.23700E+00 ppm1 4.140 ppm2 0.668 ASSI ( (segid " " and resid "68 " and name "HA ") )( (segid " " and resid "68 " and name "HG2 ") OR (segid " " and resid "68 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8344 weight 0.10000E+01 volume 0.14210E+01 ppm1 4.095 ppm2 2.322 ASSI ( (segid " " and resid "39 " and name "HA ") )( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 3.300 3.300 0.000 peak 7407 weight 0.10000E+01 volume -0.16410E+01 ppm1 4.494 ppm2 0.717 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") ) 6.000 6.000 0.000 peak 6876 weight 0.10000E+01 volume -0.15000E+00 ppm1 0.677 ppm2 1.273 ASSI ( (segid " " and resid "39 " and name "HA ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 3.300 3.300 0.000 peak 7425 weight 0.10000E+01 volume -0.28780E+01 ppm1 4.491 ppm2 0.692 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "18 " and name "HB1 ") ) 5.000 5.000 0.000 peak 6846 weight 0.10000E+01 volume -0.88100E+00 ppm1 0.676 ppm2 0.772 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "18 " and name "HG1 ") ) 5.000 5.000 0.000 peak 6860 weight 0.10000E+01 volume -0.58400E+00 ppm1 0.677 ppm2 0.375 ASSI ( (segid " " and resid "39 " and name "HA ") )( (segid " " and resid "40 " and name "HG11") ) 6.000 6.000 0.000 peak 7460 weight 0.10000E+01 volume -0.28300E+00 ppm1 4.487 ppm2 1.377 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "19 " and name "HG11") ) 6.000 6.000 0.000 peak 6912 weight 0.10000E+01 volume -0.60000E-01 ppm1 0.683 ppm2 1.472 ASSI ( (segid " " and resid "18 " and name "HA ") )( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") ) 6.000 6.000 0.000 peak 6825 weight 0.10000E+01 volume -0.75000E-01 ppm1 0.676 ppm2 3.814 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "56 " and name "HB2 ") ) 3.300 3.300 0.000 peak 7953 weight 0.10000E+01 volume -0.16950E+01 ppm1 3.610 ppm2 2.259 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "59 " and name "HD1 ") ) 5.000 5.000 0.000 peak 8125 weight 0.10000E+01 volume -0.44300E+00 ppm1 3.608 ppm2 1.549 ASSI ( (segid " " and resid "56 " and name "HA ") )( (segid " " and resid "56 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7957 weight 0.10000E+01 volume -0.19750E+01 ppm1 3.612 ppm2 2.135 ASSI ( (segid " " and resid "63 " and name "HA ") )( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 2.700 2.700 0.000 peak 8233 weight 0.10000E+01 volume -0.35210E+01 ppm1 4.056 ppm2 2.131 ASSI ( (segid " " and resid "33 " and name "HA ") )( (segid " " and resid "33 " and name "HB1 ") ) 2.700 2.700 0.000 peak 7308 weight 0.10000E+01 volume -0.42090E+01 ppm1 4.357 ppm2 3.985 ASSI ( (segid " " and resid "33 " and name "HA ") )( (segid " " and resid "33 " and name "HB2 ") ) 2.700 2.700 0.000 peak 7310 weight 0.10000E+01 volume -0.37270E+01 ppm1 4.352 ppm2 3.899 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 5.000 5.000 0.000 peak 7248 weight 0.10000E+01 volume -0.40800E+00 ppm1 3.362 ppm2 6.711 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") ) 6.000 6.000 0.000 peak 8219 weight 0.10000E+01 volume -0.11400E+00 ppm1 3.360 ppm2 1.765 ASSI ( (segid " " and resid "64 " and name "HA ") )( (segid " " and resid "63 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8234 weight 0.10000E+01 volume -0.26600E+00 ppm1 4.196 ppm2 2.131 ASSI ( (segid " " and resid "64 " and name "HA ") )( (segid " " and resid "64 " and name "HB2 ") OR (segid " " and resid "64 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8251 weight 0.10000E+01 volume -0.12880E+01 ppm1 4.199 ppm2 3.323 ASSI ( (segid " " and resid "62 " and name "HA ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8171 weight 0.10000E+01 volume -0.10600E+00 ppm1 3.354 ppm2 1.407 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "59 " and name "HB2 ") OR (segid " " and resid "59 " and name "HB1 ") ) 3.300 3.300 0.000 peak 3077 weight 0.10000E+01 volume 0.22960E+01 ppm1 3.783 ppm2 1.755 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "43 " and name "HB ") ) 5.000 5.000 0.000 peak 7603 weight 0.10000E+01 volume 0.83900E+00 ppm1 5.448 ppm2 4.860 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 6.000 6.000 0.000 peak 7634 weight 0.10000E+01 volume 0.15500E+00 ppm1 5.441 ppm2 1.594 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "59 " and name "HD2 ") ) 5.000 5.000 0.000 peak 8135 weight 0.10000E+01 volume 0.38700E+00 ppm1 3.788 ppm2 1.407 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") ) 3.300 3.300 0.000 peak 8220 weight 0.10000E+01 volume 0.20190E+01 ppm1 3.794 ppm2 1.753 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "59 " and name "HD1 ") ) 5.000 5.000 0.000 peak 8126 weight 0.10000E+01 volume 0.31200E+00 ppm1 3.786 ppm2 1.549 ASSI ( (segid " " and resid "43 " and name "HA ") )( (segid " " and resid "24 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8558 weight 0.10000E+01 volume -0.22300E+00 ppm1 5.445 ppm2 1.289 ASSI ( (segid " " and resid "59 " and name "HA ") )( (segid " " and resid "62 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8181 weight 0.10000E+01 volume -0.17800E+00 ppm1 3.788 ppm2 1.857 ASSI ( (segid " " and resid "10 " and name "HA ") )( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") ) 5.000 5.000 0.000 peak 6665 weight 0.10000E+01 volume 0.51400E+00 ppm1 4.227 ppm2 0.752 ASSI ( (segid " " and resid "11 " and name "HA ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 3.300 3.300 0.000 peak 6678 weight 0.10000E+01 volume 0.22650E+01 ppm1 4.482 ppm2 1.012 ASSI ( (segid " " and resid "11 " and name "HA ") )( (segid " " and resid "11 " and name "HB ") ) 5.000 5.000 0.000 peak 6673 weight 0.10000E+01 volume 0.74400E+00 ppm1 4.487 ppm2 3.907 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "20 " and name "HG2 ") ) 5.000 5.000 0.000 peak 6999 weight 0.10000E+01 volume 0.32100E+00 ppm1 4.121 ppm2 1.806 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "21 " and name "HA ") ) 6.000 6.000 0.000 peak 7013 weight 0.10000E+01 volume 0.27700E+00 ppm1 4.126 ppm2 3.677 ASSI ( (segid " " and resid "20 " and name "HA ") )( (segid " " and resid "20 " and name "HG1 ") ) 5.000 5.000 0.000 peak 6990 weight 0.10000E+01 volume 0.38800E+00 ppm1 4.119 ppm2 1.978 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 5.000 5.000 0.000 peak 7424 weight 0.10000E+01 volume 0.47600E+00 ppm1 3.907 ppm2 0.669 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") ) 5.000 5.000 0.000 peak 8221 weight 0.10000E+01 volume 0.34800E+00 ppm1 3.910 ppm2 1.752 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "53 " and name "HB1 ") ) 3.300 3.300 0.000 peak 7869 weight 0.10000E+01 volume 0.24850E+01 ppm1 3.915 ppm2 2.007 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "53 " and name "HB2 ") ) 3.300 3.300 0.000 peak 7876 weight 0.10000E+01 volume 0.18290E+01 ppm1 3.913 ppm2 1.885 ASSI ( (segid " " and resid "53 " and name "HA ") )( (segid " " and resid "39 " and name "HG11") ) 5.000 5.000 0.000 peak 7438 weight 0.10000E+01 volume 0.31900E+00 ppm1 3.907 ppm2 1.267 ASSI ( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") )( (segid " " and resid "13 " and name "HA ") ) 3.300 3.300 0.000 peak 6692 weight 0.10000E+01 volume -0.24600E+01 ppm1 3.834 ppm2 4.375 ASSI ( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") )( (segid " " and resid "16 " and name "HA ") ) 6.000 6.000 0.000 peak 6798 weight 0.10000E+01 volume 0.18900E+00 ppm1 3.812 ppm2 4.475 ASSI ( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") )( (segid " " and resid "17 " and name "HA ") ) 3.300 3.300 0.000 peak 6823 weight 0.10000E+01 volume -0.22270E+01 ppm1 3.817 ppm2 4.548 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 6.000 6.000 0.000 peak 2619 weight 0.10000E+01 volume 0.11200E+00 ppm1 2.564 ppm2 0.847 ASSI ( (segid " " and resid "58 " and name "HA ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 3.300 3.300 0.000 peak 8166 weight 0.10000E+01 volume 0.15020E+01 ppm1 2.563 ppm2 1.422 ASSI ( (segid " " and resid "16 " and name "HB ") )( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 5.000 5.000 0.000 peak 8524 weight 0.10000E+01 volume 0.30800E+00 ppm1 4.294 ppm2 0.248 ASSI ( (segid " " and resid "16 " and name "HB ") )( (segid " " and resid "16 " and name "HA ") ) 5.000 5.000 0.000 peak 6799 weight 0.10000E+01 volume 0.14240E+01 ppm1 4.300 ppm2 4.475 ASSI ( (segid " " and resid "11 " and name "HB ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 3.300 3.300 0.000 peak 6676 weight 0.10000E+01 volume 0.15170E+01 ppm1 3.907 ppm2 1.012 ASSI ( (segid " " and resid "11 " and name "HB ") )( (segid " " and resid "10 " and name "HA ") ) 6.000 6.000 0.000 peak 6639 weight 0.10000E+01 volume 0.10400E+00 ppm1 3.906 ppm2 4.227 ASSI ( (segid " " and resid "6 " and name "HB ") )( (segid " " and resid "6 " and name "HA ") ) 3.300 3.300 0.000 peak 6621 weight 0.10000E+01 volume 0.23500E+01 ppm1 4.056 ppm2 4.272 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "29 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8593 weight 0.10000E+01 volume 0.25800E+00 ppm1 0.667 ppm2 1.992 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "29 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8591 weight 0.10000E+01 volume 0.12100E+00 ppm1 0.670 ppm2 2.170 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7233 weight 0.10000E+01 volume 0.25300E+00 ppm1 0.670 ppm2 6.711 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "53 " and name "HD1 ") ) 6.000 6.000 0.000 peak 7888 weight 0.10000E+01 volume -0.10100E+00 ppm1 0.666 ppm2 4.037 ASSI ( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") )( (segid " " and resid "29 " and name "HA ") ) 5.000 5.000 0.000 peak 8586 weight 0.10000E+01 volume -0.84400E+00 ppm1 0.669 ppm2 4.509 ASSI ( (segid " " and resid "29 " and name "HE21") )( (segid " " and resid "29 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8711 weight 0.10000E+01 volume 0.69000E-01 ppm1 7.622 ppm2 1.987 ASSI ( (segid " " and resid "29 " and name "HE21") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 6.000 6.000 0.000 peak 8702 weight 0.10000E+01 volume 0.20700E+00 ppm1 7.623 ppm2 0.660 ASSI ( (segid " " and resid "29 " and name "HE21") )( (segid " " and resid "29 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8714 weight 0.10000E+01 volume 0.48000E-01 ppm1 7.622 ppm2 2.165 ASSI ( (segid " " and resid "29 " and name "HE21") )( (segid " " and resid "29 " and name "HE22") ) 2.700 2.700 0.000 peak 8682 weight 0.10000E+01 volume 0.10081E+02 ppm1 7.622 ppm2 6.701 ASSI ( (segid " " and resid "29 " and name "HE21") )( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8684 weight 0.10000E+01 volume 0.72200E+00 ppm1 7.624 ppm2 2.458 ASSI ( (segid " " and resid "29 " and name "HE21") )( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") ) 6.000 6.000 0.000 peak 8707 weight 0.10000E+01 volume 0.97000E-01 ppm1 7.624 ppm2 1.727 ASSI ( (segid " " and resid "30 " and name "HD22") )( (segid " " and resid "11 " and name "HA ") ) 6.000 6.000 0.000 peak 8748 weight 0.10000E+01 volume 0.14500E+00 ppm1 6.780 ppm2 4.472 ASSI ( (segid " " and resid "30 " and name "HD21") )( (segid " " and resid "37 " and name "HA ") ) 6.000 6.000 0.000 peak 8720 weight 0.10000E+01 volume 0.23500E+00 ppm1 7.304 ppm2 4.167 ASSI ( (segid " " and resid "30 " and name "HD22") )( (segid " " and resid "37 " and name "HA ") ) 6.000 6.000 0.000 peak 8746 weight 0.10000E+01 volume 0.19600E+00 ppm1 6.780 ppm2 4.170 ASSI ( (segid " " and resid "30 " and name "HD21") )( (segid " " and resid "30 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8704 weight 0.10000E+01 volume 0.75700E+00 ppm1 7.300 ppm2 2.821 ASSI ( (segid " " and resid "30 " and name "HD22") )( (segid " " and resid "34 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8742 weight 0.10000E+01 volume 0.24500E+00 ppm1 6.780 ppm2 3.809 ASSI ( (segid " " and resid "30 " and name "HD21") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") ) 6.000 6.000 0.000 peak 8718 weight 0.10000E+01 volume 0.23000E+00 ppm1 7.299 ppm2 0.727 ASSI ( (segid " " and resid "30 " and name "HD22") )( (segid " " and resid "34 " and name "HB2 ") OR (segid " " and resid "12 " and name "HB2 ") ) 5.000 5.000 0.000 peak 8737 weight 0.10000E+01 volume 0.64200E+00 ppm1 6.779 ppm2 2.998 ASSI ( (segid " " and resid "30 " and name "HD22") )( (segid " " and resid "30 " and name "HB2 ") ) 5.000 5.000 0.000 peak 8740 weight 0.10000E+01 volume 0.36100E+00 ppm1 6.780 ppm2 2.673 ASSI ( (segid " " and resid "30 " and name "HD21") )( (segid " " and resid "34 " and name "HB2 ") OR (segid " " and resid "12 " and name "HB2 ") ) 5.000 5.000 0.000 peak 8708 weight 0.10000E+01 volume 0.59300E+00 ppm1 7.300 ppm2 2.997 ASSI ( (segid " " and resid "30 " and name "HD21") )( (segid " " and resid "34 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8717 weight 0.10000E+01 volume 0.22900E+00 ppm1 7.301 ppm2 3.813 ASSI ( (segid " " and resid "30 " and name "HD21") )( (segid " " and resid "30 " and name "HD22") ) 2.700 2.700 0.000 peak 8701 weight 0.10000E+01 volume 0.40000E+01 ppm1 7.301 ppm2 6.759 ASSI ( (segid " " and resid "30 " and name "HD21") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8710 weight 0.10000E+01 volume 0.36800E+00 ppm1 7.301 ppm2 1.356 ASSI ( (segid " " and resid "30 " and name "HD21") )( (segid " " and resid "30 " and name "HB2 ") ) 5.000 5.000 0.000 peak 8709 weight 0.10000E+01 volume 0.70600E+00 ppm1 7.302 ppm2 2.677 ASSI ( (segid " " and resid "30 " and name "HD22") )( (segid " " and resid "30 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8738 weight 0.10000E+01 volume 0.55400E+00 ppm1 6.780 ppm2 2.821 ASSI ( (segid " " and resid "30 " and name "HD21") )( (segid " " and resid "30 " and name "HA ") ) 6.000 6.000 0.000 peak 8725 weight 0.10000E+01 volume 0.12300E+00 ppm1 7.303 ppm2 4.731 ASSI ( (segid " " and resid "30 " and name "HD22") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") OR (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") ) 6.000 6.000 0.000 peak 8744 weight 0.10000E+01 volume 0.21000E+00 ppm1 6.780 ppm2 0.724 ASSI ( (segid " " and resid "30 " and name "HD21") )( (segid " " and resid "11 " and name "HA ") ) 6.000 6.000 0.000 peak 8721 weight 0.10000E+01 volume 0.12900E+00 ppm1 7.305 ppm2 4.482 ASSI ( (segid " " and resid "30 " and name "HD22") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") OR (segid " " and resid "36 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8739 weight 0.10000E+01 volume 0.28400E+00 ppm1 6.780 ppm2 1.357 ASSI ( (segid " " and resid "68 " and name "HE22") OR (segid " " and resid "63 " and name "HE22") )( (segid " " and resid "68 " and name "HB1 ") OR (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8789 weight 0.10000E+01 volume 0.87000E-01 ppm1 6.860 ppm2 2.127 ASSI ( (segid " " and resid "68 " and name "HE22") OR (segid " " and resid "63 " and name "HE22") )( (segid " " and resid "68 " and name "HG2 ") OR (segid " " and resid "68 " and name "HG1 ") OR (segid " " and resid "63 " and name "HG2 ") ) 6.000 6.000 0.000 peak 8785 weight 0.10000E+01 volume 0.14200E+00 ppm1 6.857 ppm2 2.303 ASSI ( (segid " " and resid "63 " and name "HE21") )( (segid " " and resid "63 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8761 weight 0.10000E+01 volume 0.39000E+00 ppm1 7.449 ppm2 2.492 ASSI ( (segid " " and resid "63 " and name "HE22") )( (segid " " and resid "63 " and name "HG1 ") ) 6.000 6.000 0.000 peak 8783 weight 0.10000E+01 volume 0.17400E+00 ppm1 6.857 ppm2 2.491 ASSI ( (segid " " and resid "63 " and name "HE21") )( (segid " " and resid "63 " and name "HE22") ) 2.700 2.700 0.000 peak 8723 weight 0.10000E+01 volume 0.13082E+02 ppm1 7.450 ppm2 6.837 ASSI ( (segid " " and resid "63 " and name "HE21") )( (segid " " and resid "63 " and name "HG2 ") ) 6.000 6.000 0.000 peak 8764 weight 0.10000E+01 volume 0.13800E+00 ppm1 7.450 ppm2 2.304 ASSI ( (segid " " and resid "63 " and name "HE21") )( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8768 weight 0.10000E+01 volume 0.70000E-01 ppm1 7.450 ppm2 2.120 ASSI ( (segid " " and resid "9 " and name "HD22") )( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 6.000 6.000 0.000 peak 8802 weight 0.10000E+01 volume 0.21400E+00 ppm1 6.859 ppm2 0.715 ASSI ( (segid " " and resid "9 " and name "HD21") )( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 5.000 5.000 0.000 peak 8864 weight 0.10000E+01 volume 0.33300E+00 ppm1 7.591 ppm2 0.708 ASSI ( (segid " " and resid "9 " and name "HD22") )( (segid " " and resid "9 " and name "HD21") ) 2.700 2.700 0.000 peak 8759 weight 0.10000E+01 volume 0.15407E+02 ppm1 6.862 ppm2 7.574 ASSI ( (segid " " and resid "9 " and name "HD22") )( (segid " " and resid "31 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8801 weight 0.10000E+01 volume 0.10400E+00 ppm1 6.862 ppm2 1.969 ASSI ( (segid " " and resid "45 " and name "HE21") OR (segid " " and resid "9 " and name "HD21") )( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") OR (segid " " and resid "10 " and name "HG12") ) 6.000 6.000 0.000 peak 8867 weight 0.10000E+01 volume 0.19000E+00 ppm1 7.591 ppm2 0.819 ASSI ( (segid " " and resid "1 " and name "HE22") )( (segid " " and resid "1 " and name "HG2 ") OR (segid " " and resid "1 " and name "HG1 ") ) 6.000 6.000 0.000 peak 8798 weight 0.10000E+01 volume 0.10800E+00 ppm1 6.859 ppm2 2.294 ASSI ( (segid " " and resid "9 " and name "HD21") )( (segid " " and resid "40 " and name "HB ") OR (segid " " and resid "31 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8856 weight 0.10000E+01 volume 0.22800E+00 ppm1 7.591 ppm2 1.972 ASSI ( (segid " " and resid "28 " and name "HE21") )( (segid " " and resid "28 " and name "HG2 ") ) 5.000 5.000 0.000 peak 8852 weight 0.10000E+01 volume 0.68400E+00 ppm1 7.592 ppm2 2.141 ASSI ( (segid " " and resid "28 " and name "HE22") )( (segid " " and resid "28 " and name "HG2 ") ) 5.000 5.000 0.000 peak 8797 weight 0.10000E+01 volume 0.34200E+00 ppm1 6.860 ppm2 2.143 ASSI ( (segid " " and resid "28 " and name "HE21") )( (segid " " and resid "28 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8854 weight 0.10000E+01 volume 0.45800E+00 ppm1 7.590 ppm2 2.298 ASSI ( (segid " " and resid "45 " and name "HE21") )( (segid " " and resid "45 " and name "HG1 ") ) 6.000 6.000 0.000 peak 8860 weight 0.10000E+01 volume 0.23200E+00 ppm1 7.590 ppm2 2.418 ASSI ( (segid " " and resid "45 " and name "HE21") OR (segid " " and resid "28 " and name "HE21") )( (segid " " and resid "45 " and name "HB2 ") OR (segid " " and resid "42 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8859 weight 0.10000E+01 volume 0.13300E+00 ppm1 7.587 ppm2 1.771 ASSI ( (segid " " and resid "1 " and name "HE21") )( (segid " " and resid "1 " and name "HE22") ) 2.700 2.700 0.000 peak 8871 weight 0.10000E+01 volume 0.10162E+02 ppm1 7.508 ppm2 6.840 ASSI ( (segid " " and resid "28 " and name "HE22") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") OR (segid " " and resid "48 " and name "HD13") ) 5.000 5.000 0.000 peak 8808 weight 0.10000E+01 volume 0.33100E+00 ppm1 6.858 ppm2 0.720 ASSI ( (segid " " and resid "28 " and name "HE22") )( (segid " " and resid "42 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8806 weight 0.10000E+01 volume 0.69700E+00 ppm1 6.858 ppm2 2.699 ASSI ( (segid " " and resid "28 " and name "HE21") )( (segid " " and resid "42 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8878 weight 0.10000E+01 volume 0.11710E+01 ppm1 7.587 ppm2 2.698 ASSI ( (segid " " and resid "28 " and name "HE21") )( (segid " " and resid "28 " and name "HE22") ) 2.700 2.700 0.000 peak 8803 weight 0.10000E+01 volume 0.15605E+02 ppm1 7.586 ppm2 6.838 ASSI ( (segid " " and resid "28 " and name "HE21") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") ) 5.000 5.000 0.000 peak 8879 weight 0.10000E+01 volume 0.34100E+00 ppm1 7.586 ppm2 0.721 ASSI ( (segid " " and resid "28 " and name "HE21") )( (segid " " and resid "46 " and name "HA ") OR (segid " " and resid "28 " and name "HA ") ) 6.000 6.000 0.000 peak 8881 weight 0.10000E+01 volume 0.14300E+00 ppm1 7.587 ppm2 4.437 ASSI ( (segid " " and resid "28 " and name "HE22") )( (segid " " and resid "28 " and name "HA ") ) 6.000 6.000 0.000 peak 8814 weight 0.10000E+01 volume 0.10900E+00 ppm1 6.856 ppm2 4.439 ASSI ( (segid " " and resid "75 " and name "HD22") OR (segid " " and resid "31 " and name "HE22") )( (segid " " and resid "75 " and name "HD21") OR (segid " " and resid "31 " and name "HE21") ) 2.700 2.700 0.000 peak 8818 weight 0.10000E+01 volume 0.19081E+02 ppm1 6.871 ppm2 7.574 ASSI ( (segid " " and resid "75 " and name "HD22") )( (segid " " and resid "75 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8830 weight 0.10000E+01 volume 0.79000E-01 ppm1 6.879 ppm2 2.655 ASSI ( (segid " " and resid "31 " and name "HE22") )( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8820 weight 0.10000E+01 volume 0.37800E+00 ppm1 6.891 ppm2 2.441 ASSI ( (segid " " and resid "26 " and name "HN ") OR (segid " " and resid "24 " and name "HN ") )( (segid " " and resid "43 " and name "HA ") ) 5.000 5.000 0.000 peak 5016 weight 0.10000E+01 volume 0.34500E+00 ppm1 7.677 ppm2 5.437 ASSI ( (segid " " and resid "26 " and name "HN ") OR (segid " " and resid "24 " and name "HN ") )( (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") OR (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") OR (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") OR (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 3.300 3.300 0.000 peak 5019 weight 0.10000E+01 volume 0.22390E+01 ppm1 7.696 ppm2 0.776 ASSI ( (segid " " and resid "24 " and name "HN ") )( (segid " " and resid "23 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5024 weight 0.10000E+01 volume 0.11850E+01 ppm1 7.698 ppm2 1.709 ASSI ( (segid " " and resid "24 " and name "HN ") )( (segid " " and resid "24 " and name "HG ") ) 3.300 3.300 0.000 peak 5017 weight 0.10000E+01 volume 0.19200E+01 ppm1 7.698 ppm2 1.908 ASSI ( (segid " " and resid "26 " and name "HN ") OR (segid " " and resid "24 " and name "HN ") )( (segid " " and resid "24 " and name "HB1 ") ) 3.300 3.300 0.000 peak 5020 weight 0.10000E+01 volume 0.17730E+01 ppm1 7.697 ppm2 2.152 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5436 weight 0.10000E+01 volume 0.16300E+00 ppm1 8.133 ppm2 1.409 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "60 " and name "HA ") ) 6.000 6.000 0.000 peak 5435 weight 0.10000E+01 volume 0.23600E+00 ppm1 8.133 ppm2 4.300 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "68 " and name "HE22") OR (segid " " and resid "63 " and name "HE22") ) 6.000 6.000 0.000 peak 5434 weight 0.10000E+01 volume 0.14500E+00 ppm1 8.134 ppm2 6.890 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "63 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5437 weight 0.10000E+01 volume 0.12100E+00 ppm1 8.134 ppm2 2.497 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "66 " and name "HN ") ) 6.000 6.000 0.000 peak 5433 weight 0.10000E+01 volume 0.15500E+00 ppm1 8.132 ppm2 8.899 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "65 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5439 weight 0.10000E+01 volume 0.11200E+00 ppm1 8.133 ppm2 1.691 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "66 " and name "HB1 ") OR (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5438 weight 0.10000E+01 volume 0.83000E-01 ppm1 8.130 ppm2 2.676 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "65 " and name "HG ") OR (segid " " and resid "62 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5428 weight 0.10000E+01 volume 0.33500E+00 ppm1 8.132 ppm2 1.859 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "63 " and name "HA ") OR (segid " " and resid "61 " and name "HA ") ) 5.000 5.000 0.000 peak 5427 weight 0.10000E+01 volume 0.10840E+01 ppm1 8.132 ppm2 4.014 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "64 " and name "HB2 ") ) 2.700 2.700 0.000 peak 5419 weight 0.10000E+01 volume 0.30580E+01 ppm1 8.131 ppm2 3.300 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "63 " and name "HG2 ") ) 6.000 6.000 0.000 peak 5431 weight 0.10000E+01 volume 0.21800E+00 ppm1 8.131 ppm2 2.294 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "63 " and name "HN ") ) 5.000 5.000 0.000 peak 5424 weight 0.10000E+01 volume 0.11880E+01 ppm1 8.131 ppm2 7.682 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "65 " and name "HN ") ) 5.000 5.000 0.000 peak 5426 weight 0.10000E+01 volume 0.11680E+01 ppm1 8.132 ppm2 8.518 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 3.300 3.300 0.000 peak 5423 weight 0.10000E+01 volume 0.15880E+01 ppm1 8.132 ppm2 2.120 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 5429 weight 0.10000E+01 volume 0.35200E+00 ppm1 8.131 ppm2 0.773 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "70 " and name "HB3 ") OR (segid " " and resid "70 " and name "HB2 ") OR (segid " " and resid "70 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5474 weight 0.10000E+01 volume 0.15000E+00 ppm1 7.945 ppm2 1.437 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "67 " and name "HG2 ") ) 5.000 5.000 0.000 peak 5468 weight 0.10000E+01 volume 0.71900E+00 ppm1 7.945 ppm2 1.620 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "68 " and name "HB2 ") OR (segid " " and resid "68 " and name "HB1 ") OR (segid " " and resid "65 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5472 weight 0.10000E+01 volume 0.32100E+00 ppm1 7.945 ppm2 2.083 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "68 " and name "HG2 ") OR (segid " " and resid "68 " and name "HG1 ") OR (segid " " and resid "63 " and name "HG2 ") ) 6.000 6.000 0.000 peak 5475 weight 0.10000E+01 volume 0.12900E+00 ppm1 7.942 ppm2 2.283 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "66 " and name "HA ") ) 5.000 5.000 0.000 peak 5469 weight 0.10000E+01 volume 0.50200E+00 ppm1 7.942 ppm2 4.517 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "65 " and name "HN ") ) 6.000 6.000 0.000 peak 5473 weight 0.10000E+01 volume 0.12200E+00 ppm1 7.947 ppm2 8.523 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "67 " and name "HB2 ") ) 2.700 2.700 0.000 peak 5459 weight 0.10000E+01 volume 0.30250E+01 ppm1 7.945 ppm2 1.858 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "66 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5467 weight 0.10000E+01 volume 0.74000E+00 ppm1 7.945 ppm2 2.670 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "66 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5466 weight 0.10000E+01 volume 0.85100E+00 ppm1 7.942 ppm2 2.882 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "67 " and name "HA ") ) 3.300 3.300 0.000 peak 5464 weight 0.10000E+01 volume 0.18640E+01 ppm1 7.942 ppm2 4.090 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5470 weight 0.10000E+01 volume 0.27300E+00 ppm1 7.942 ppm2 3.127 ASSI ( (segid " " and resid "67 " and name "HN ") )( (segid " " and resid "64 " and name "HB2 ") OR (segid " " and resid "64 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5478 weight 0.10000E+01 volume 0.83000E-01 ppm1 7.942 ppm2 3.323 ASSI ( (segid " " and resid "67 " and name "HE ") )( (segid " " and resid "67 " and name "HG2 ") ) 6.000 6.000 0.000 peak 5626 weight 0.10000E+01 volume 0.22400E+00 ppm1 7.236 ppm2 1.625 ASSI ( (segid " " and resid "67 " and name "HE ") )( (segid " " and resid "67 " and name "HG1 ") OR (segid " " and resid "67 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5624 weight 0.10000E+01 volume 0.19400E+00 ppm1 7.235 ppm2 1.832 ASSI ( (segid " " and resid "67 " and name "HE ") OR (segid " " and resid "37 " and name "HE ") )( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") OR (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") ) 5.000 5.000 0.000 peak 5616 weight 0.10000E+01 volume 0.82000E+00 ppm1 7.231 ppm2 3.148 ASSI ( (segid " " and resid "67 " and name "HE ") OR (segid " " and resid "37 " and name "HE ") )( (segid " " and resid "67 " and name "HA ") OR (segid " " and resid "37 " and name "HA ") ) 6.000 6.000 0.000 peak 5627 weight 0.10000E+01 volume 0.99000E-01 ppm1 7.229 ppm2 4.143 ASSI ( (segid " " and resid "67 " and name "HE ") OR (segid " " and resid "37 " and name "HE ") )( (segid " " and resid "67 " and name "HG2 ") OR (segid " " and resid "37 " and name "HB2 ") OR (segid " " and resid "37 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5625 weight 0.10000E+01 volume 0.26700E+00 ppm1 7.224 ppm2 1.680 ASSI ( (segid " " and resid "2 " and name "HN ") )( (segid " " and resid "1 " and name "HA ") ) 6.000 6.000 0.000 peak 5168 weight 0.10000E+01 volume 0.13700E+00 ppm1 8.689 ppm2 4.280 ASSI ( (segid " " and resid "4 " and name "HN ") )( (segid " " and resid "4 " and name "HA2 ") OR (segid " " and resid "4 " and name "HA1 ") ) 5.000 5.000 0.000 peak 5263 weight 0.10000E+01 volume 0.34700E+00 ppm1 8.505 ppm2 3.954 ASSI ( (segid " " and resid "4 " and name "HN ") )( (segid " " and resid "4 " and name "HA2 ") ) 5.000 5.000 0.000 peak 5262 weight 0.10000E+01 volume 0.37400E+00 ppm1 8.506 ppm2 3.894 ASSI ( (segid " " and resid "5 " and name "HN ") )( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG13") OR (segid " " and resid "5 " and name "HG12") OR (segid " " and resid "5 " and name "HG11") ) 5.000 5.000 0.000 peak 5106 weight 0.10000E+01 volume 0.10180E+01 ppm1 8.148 ppm2 0.866 ASSI ( (segid " " and resid "5 " and name "HN ") )( (segid " " and resid "4 " and name "HA1 ") ) 3.300 3.300 0.000 peak 5103 weight 0.10000E+01 volume 0.19320E+01 ppm1 8.148 ppm2 3.957 ASSI ( (segid " " and resid "6 " and name "HN ") )( (segid " " and resid "4 " and name "HA2 ") ) 6.000 6.000 0.000 peak 5133 weight 0.10000E+01 volume 0.65000E-01 ppm1 8.338 ppm2 3.861 ASSI ( (segid " " and resid "6 " and name "HN ") )( (segid " " and resid "5 " and name "HA ") ) 2.700 2.700 0.000 peak 5123 weight 0.10000E+01 volume 0.40470E+01 ppm1 8.335 ppm2 4.153 ASSI ( (segid " " and resid "6 " and name "HN ") )( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") ) 5.000 5.000 0.000 peak 5127 weight 0.10000E+01 volume 0.42400E+00 ppm1 8.335 ppm2 1.092 ASSI ( (segid " " and resid "6 " and name "HN ") )( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG22") OR (segid " " and resid "5 " and name "HG21") OR (segid " " and resid "5 " and name "HG13") OR (segid " " and resid "5 " and name "HG12") ) 5.000 5.000 0.000 peak 5128 weight 0.10000E+01 volume 0.45000E+00 ppm1 8.336 ppm2 0.871 ASSI ( (segid " " and resid "6 " and name "HN ") )( (segid " " and resid "5 " and name "HB ") ) 5.000 5.000 0.000 peak 5129 weight 0.10000E+01 volume 0.37700E+00 ppm1 8.335 ppm2 2.017 ASSI ( (segid " " and resid "6 " and name "HN ") )( (segid " " and resid "6 " and name "HB ") ) 5.000 5.000 0.000 peak 5125 weight 0.10000E+01 volume 0.10310E+01 ppm1 8.336 ppm2 4.026 ASSI ( (segid " " and resid "7 " and name "HN ") )( (segid " " and resid "9 " and name "HN ") ) 6.000 6.000 0.000 peak 4723 weight 0.10000E+01 volume 0.89000E-01 ppm1 8.399 ppm2 9.101 ASSI ( (segid " " and resid "7 " and name "HN ") )( (segid " " and resid "5 " and name "HG23") OR (segid " " and resid "5 " and name "HG22") OR (segid " " and resid "5 " and name "HG21") OR (segid " " and resid "5 " and name "HG13") OR (segid " " and resid "5 " and name "HG12") ) 6.000 6.000 0.000 peak 4724 weight 0.10000E+01 volume 0.62000E-01 ppm1 8.397 ppm2 0.882 ASSI ( (segid " " and resid "7 " and name "HN ") )( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") ) 5.000 5.000 0.000 peak 4718 weight 0.10000E+01 volume 0.38300E+00 ppm1 8.398 ppm2 1.094 ASSI ( (segid " " and resid "7 " and name "HN ") )( (segid " " and resid "7 " and name "HG2 ") OR (segid " " and resid "7 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4719 weight 0.10000E+01 volume 0.44900E+00 ppm1 8.398 ppm2 1.287 ASSI ( (segid " " and resid "7 " and name "HN ") )( (segid " " and resid "6 " and name "HB ") ) 5.000 5.000 0.000 peak 4717 weight 0.10000E+01 volume 0.53900E+00 ppm1 8.399 ppm2 4.046 ASSI ( (segid " " and resid "7 " and name "HN ") )( (segid " " and resid "7 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4716 weight 0.10000E+01 volume 0.14390E+01 ppm1 8.398 ppm2 1.664 ASSI ( (segid " " and resid "8 " and name "HN ") )( (segid " " and resid "6 " and name "HG23") OR (segid " " and resid "6 " and name "HG22") OR (segid " " and resid "6 " and name "HG21") ) 6.000 6.000 0.000 peak 5305 weight 0.10000E+01 volume 0.92000E-01 ppm1 8.485 ppm2 1.087 ASSI ( (segid " " and resid "8 " and name "HN ") )( (segid " " and resid "7 " and name "HB2 ") OR (segid " " and resid "7 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5299 weight 0.10000E+01 volume 0.48200E+00 ppm1 8.481 ppm2 1.696 ASSI ( (segid " " and resid "8 " and name "HN ") )( (segid " " and resid "8 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5297 weight 0.10000E+01 volume 0.11430E+01 ppm1 8.482 ppm2 2.916 ASSI ( (segid " " and resid "8 " and name "HN ") )( (segid " " and resid "7 " and name "HA ") ) 2.700 2.700 0.000 peak 5283 weight 0.10000E+01 volume 0.41330E+01 ppm1 8.482 ppm2 4.236 ASSI ( (segid " " and resid "8 " and name "HN ") )( (segid " " and resid "9 " and name "HA ") ) 6.000 6.000 0.000 peak 5304 weight 0.10000E+01 volume 0.14100E+00 ppm1 8.481 ppm2 4.418 ASSI ( (segid " " and resid "8 " and name "HN ") )( (segid " " and resid "8 " and name "HB2 ") ) 3.300 3.300 0.000 peak 5296 weight 0.10000E+01 volume 0.15730E+01 ppm1 8.482 ppm2 2.610 ASSI ( (segid " " and resid "8 " and name "HN ") )( (segid " " and resid "9 " and name "HN ") ) 6.000 6.000 0.000 peak 5301 weight 0.10000E+01 volume 0.27900E+00 ppm1 8.482 ppm2 9.132 ASSI ( (segid " " and resid "8 " and name "HN ") )( (segid " " and resid "7 " and name "HG2 ") OR (segid " " and resid "7 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5202 weight 0.10000E+01 volume 0.40000E+00 ppm1 8.484 ppm2 1.292 ASSI ( (segid " " and resid "9 " and name "HN ") )( (segid " " and resid "9 " and name "HD22") ) 6.000 6.000 0.000 peak 4578 weight 0.10000E+01 volume 0.11000E+00 ppm1 9.151 ppm2 6.858 ASSI ( (segid " " and resid "9 " and name "HN ") )( (segid " " and resid "9 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4572 weight 0.10000E+01 volume 0.11360E+01 ppm1 9.150 ppm2 2.700 ASSI ( (segid " " and resid "9 " and name "HN ") )( (segid " " and resid "8 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4575 weight 0.10000E+01 volume 0.34400E+00 ppm1 9.150 ppm2 2.914 ASSI ( (segid " " and resid "9 " and name "HN ") )( (segid " " and resid "8 " and name "HA ") ) 3.300 3.300 0.000 peak 4570 weight 0.10000E+01 volume 0.18390E+01 ppm1 9.149 ppm2 4.599 ASSI ( (segid " " and resid "9 " and name "HN ") )( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 6.000 6.000 0.000 peak 4576 weight 0.10000E+01 volume 0.17700E+00 ppm1 9.148 ppm2 0.717 ASSI ( (segid " " and resid "9 " and name "HN ") )( (segid " " and resid "10 " and name "HA ") OR (segid " " and resid "7 " and name "HA ") ) 6.000 6.000 0.000 peak 4580 weight 0.10000E+01 volume 0.95000E-01 ppm1 9.149 ppm2 4.233 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 6.000 6.000 0.000 peak 4897 weight 0.10000E+01 volume 0.80000E-01 ppm1 7.688 ppm2 1.010 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "8 " and name "HN ") ) 6.000 6.000 0.000 peak 4898 weight 0.10000E+01 volume 0.10000E+00 ppm1 7.689 ppm2 8.460 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "8 " and name "HA ") ) 5.000 5.000 0.000 peak 4890 weight 0.10000E+01 volume 0.58100E+00 ppm1 7.691 ppm2 4.599 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "9 " and name "HB2 ") OR (segid " " and resid "9 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4885 weight 0.10000E+01 volume 0.11300E+01 ppm1 7.691 ppm2 2.698 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "10 " and name "HB ") ) 5.000 5.000 0.000 peak 4889 weight 0.10000E+01 volume 0.77700E+00 ppm1 7.692 ppm2 1.721 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "10 " and name "HG12") ) 5.000 5.000 0.000 peak 4892 weight 0.10000E+01 volume 0.41800E+00 ppm1 7.691 ppm2 0.818 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "8 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4888 weight 0.10000E+01 volume 0.97000E+00 ppm1 7.692 ppm2 2.916 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "9 " and name "HN ") ) 3.300 3.300 0.000 peak 4883 weight 0.10000E+01 volume 0.19040E+01 ppm1 7.692 ppm2 9.132 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 3.300 3.300 0.000 peak 4884 weight 0.10000E+01 volume 0.21040E+01 ppm1 7.691 ppm2 0.706 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "10 " and name "HG11") ) 6.000 6.000 0.000 peak 4893 weight 0.10000E+01 volume 0.26800E+00 ppm1 7.692 ppm2 1.441 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "9 " and name "HA ") ) 5.000 5.000 0.000 peak 4887 weight 0.10000E+01 volume 0.85100E+00 ppm1 7.692 ppm2 4.438 ASSI ( (segid " " and resid "10 " and name "HN ") )( (segid " " and resid "11 " and name "HN ") ) 5.000 5.000 0.000 peak 4891 weight 0.10000E+01 volume 0.33300E+00 ppm1 7.690 ppm2 8.182 ASSI ( (segid " " and resid "11 " and name "HN ") )( (segid " " and resid "10 " and name "HG12") ) 5.000 5.000 0.000 peak 5117 weight 0.10000E+01 volume 0.11480E+01 ppm1 8.206 ppm2 0.813 ASSI ( (segid " " and resid "11 " and name "HN ") )( (segid " " and resid "11 " and name "HB ") ) 5.000 5.000 0.000 peak 5114 weight 0.10000E+01 volume 0.14450E+01 ppm1 8.205 ppm2 3.887 ASSI ( (segid " " and resid "11 " and name "HN ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 5.000 5.000 0.000 peak 5120 weight 0.10000E+01 volume 0.54500E+00 ppm1 8.206 ppm2 0.995 ASSI ( (segid " " and resid "11 " and name "HN ") )( (segid " " and resid "10 " and name "HA ") ) 2.700 2.700 0.000 peak 5113 weight 0.10000E+01 volume 0.34420E+01 ppm1 8.206 ppm2 4.211 ASSI ( (segid " " and resid "11 " and name "HN ") )( (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD11") OR (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 5.000 5.000 0.000 peak 5116 weight 0.10000E+01 volume 0.10560E+01 ppm1 8.206 ppm2 0.721 ASSI ( (segid " " and resid "11 " and name "HN ") )( (segid " " and resid "10 " and name "HG11") ) 5.000 5.000 0.000 peak 5115 weight 0.10000E+01 volume 0.12440E+01 ppm1 8.205 ppm2 1.440 ASSI ( (segid " " and resid "11 " and name "HN ") )( (segid " " and resid "10 " and name "HB ") ) 5.000 5.000 0.000 peak 5118 weight 0.10000E+01 volume 0.66100E+00 ppm1 8.206 ppm2 1.721 ASSI ( (segid " " and resid "12 " and name "HN ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "36 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5583 weight 0.10000E+01 volume 0.20200E+00 ppm1 8.193 ppm2 1.357 ASSI ( (segid " " and resid "12 " and name "HN ") )( (segid " " and resid "35 " and name "HA2 ") ) 5.000 5.000 0.000 peak 5579 weight 0.10000E+01 volume 0.41700E+00 ppm1 8.200 ppm2 3.644 ASSI ( (segid " " and resid "12 " and name "HN ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 5.000 5.000 0.000 peak 5572 weight 0.10000E+01 volume 0.93500E+00 ppm1 8.199 ppm2 0.993 ASSI ( (segid " " and resid "12 " and name "HN ") )( (segid " " and resid "30 " and name "HD21") ) 6.000 6.000 0.000 peak 5580 weight 0.10000E+01 volume 0.23600E+00 ppm1 8.200 ppm2 7.281 ASSI ( (segid " " and resid "12 " and name "HN ") )( (segid " " and resid "12 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5576 weight 0.10000E+01 volume 0.86700E+00 ppm1 8.199 ppm2 2.610 ASSI ( (segid " " and resid "12 " and name "HN ") )( (segid " " and resid "11 " and name "HB ") ) 5.000 5.000 0.000 peak 5577 weight 0.10000E+01 volume 0.59000E+00 ppm1 8.201 ppm2 3.875 ASSI ( (segid " " and resid "12 " and name "HN ") )( (segid " " and resid "11 " and name "HA ") ) 2.700 2.700 0.000 peak 5524 weight 0.10000E+01 volume 0.34310E+01 ppm1 8.201 ppm2 4.472 ASSI ( (segid " " and resid "12 " and name "HN ") )( (segid " " and resid "30 " and name "HD22") ) 5.000 5.000 0.000 peak 5578 weight 0.10000E+01 volume 0.34700E+00 ppm1 8.198 ppm2 6.758 ASSI ( (segid " " and resid "12 " and name "HN ") )( (segid " " and resid "12 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5573 weight 0.10000E+01 volume 0.11640E+01 ppm1 8.199 ppm2 3.016 ASSI ( (segid " " and resid "12 " and name "HN ") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") OR (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") ) 6.000 6.000 0.000 peak 5582 weight 0.10000E+01 volume 0.19500E+00 ppm1 8.202 ppm2 0.719 ASSI ( (segid " " and resid "13 " and name "HN ") )( (segid " " and resid "12 " and name "HA ") ) 5.000 5.000 0.000 peak 5201 weight 0.10000E+01 volume 0.62400E+00 ppm1 9.320 ppm2 5.048 ASSI ( (segid " " and resid "13 " and name "HN ") )( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5204 weight 0.10000E+01 volume 0.20500E+00 ppm1 9.321 ppm2 3.817 ASSI ( (segid " " and resid "14 " and name "HN ") )( (segid " " and resid "13 " and name "HA ") ) 5.000 5.000 0.000 peak 5548 weight 0.10000E+01 volume 0.40000E+00 ppm1 8.100 ppm2 4.353 ASSI ( (segid " " and resid "14 " and name "HN ") )( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5546 weight 0.10000E+01 volume 0.50900E+00 ppm1 8.098 ppm2 1.404 ASSI ( (segid " " and resid "14 " and name "HN ") )( (segid " " and resid "12 " and name "HA ") ) 5.000 5.000 0.000 peak 5549 weight 0.10000E+01 volume 0.30300E+00 ppm1 8.099 ppm2 5.048 ASSI ( (segid " " and resid "14 " and name "HN ") )( (segid " " and resid "14 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5543 weight 0.10000E+01 volume 0.11930E+01 ppm1 8.099 ppm2 1.788 ASSI ( (segid " " and resid "14 " and name "HN ") )( (segid " " and resid "15 " and name "HN ") ) 6.000 6.000 0.000 peak 5550 weight 0.10000E+01 volume 0.20400E+00 ppm1 8.100 ppm2 8.805 ASSI ( (segid " " and resid "14 " and name "HN ") )( (segid " " and resid "13 " and name "HN ") ) 5.000 5.000 0.000 peak 5547 weight 0.10000E+01 volume 0.42700E+00 ppm1 8.100 ppm2 9.305 ASSI ( (segid " " and resid "14 " and name "HN ") )( (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5544 weight 0.10000E+01 volume 0.10210E+01 ppm1 8.098 ppm2 3.814 ASSI ( (segid " " and resid "15 " and name "HN ") )( (segid " " and resid "15 " and name "HG2 ") ) 5.000 5.000 0.000 peak 5248 weight 0.10000E+01 volume 0.13480E+01 ppm1 8.820 ppm2 2.535 ASSI ( (segid " " and resid "15 " and name "HN ") )( (segid " " and resid "15 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5250 weight 0.10000E+01 volume 0.86700E+00 ppm1 8.821 ppm2 2.863 ASSI ( (segid " " and resid "15 " and name "HN ") )( (segid " " and resid "14 " and name "HA ") ) 2.700 2.700 0.000 peak 5246 weight 0.10000E+01 volume 0.45320E+01 ppm1 8.821 ppm2 4.466 ASSI ( (segid " " and resid "15 " and name "HN ") )( (segid " " and resid "14 " and name "HG2 ") OR (segid " " and resid "14 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5252 weight 0.10000E+01 volume 0.49800E+00 ppm1 8.820 ppm2 1.403 ASSI ( (segid " " and resid "15 " and name "HN ") )( (segid " " and resid "14 " and name "HB2 ") OR (segid " " and resid "14 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5253 weight 0.10000E+01 volume 0.79200E+00 ppm1 8.820 ppm2 1.801 ASSI ( (segid " " and resid "15 " and name "HN ") )( (segid " " and resid "15 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5247 weight 0.10000E+01 volume 0.13590E+01 ppm1 8.821 ppm2 2.128 ASSI ( (segid " " and resid "15 " and name "HN ") )( (segid " " and resid "15 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5251 weight 0.10000E+01 volume 0.78600E+00 ppm1 8.821 ppm2 2.276 ASSI ( (segid " " and resid "15 " and name "HN ") )( (segid " " and resid "16 " and name "HN ") ) 6.000 6.000 0.000 peak 5255 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.819 ppm2 9.069 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "49 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4788 weight 0.10000E+01 volume 0.18100E+00 ppm1 9.069 ppm2 3.076 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "15 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4783 weight 0.10000E+01 volume 0.37300E+00 ppm1 9.071 ppm2 2.128 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4781 weight 0.10000E+01 volume 0.27500E+00 ppm1 9.071 ppm2 1.066 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "50 " and name "HB2 ") ) 6.000 6.000 0.000 peak 4789 weight 0.10000E+01 volume 0.15600E+00 ppm1 9.071 ppm2 3.720 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "15 " and name "HA ") ) 2.700 2.700 0.000 peak 4776 weight 0.10000E+01 volume 0.38100E+01 ppm1 9.071 ppm2 4.818 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "57 " and name "HZ2 ") ) 6.000 6.000 0.000 peak 4793 weight 0.10000E+01 volume 0.71000E-01 ppm1 9.073 ppm2 7.308 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 3.300 3.300 0.000 peak 4777 weight 0.10000E+01 volume 0.25800E+01 ppm1 9.071 ppm2 1.385 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "15 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4780 weight 0.10000E+01 volume 0.42800E+00 ppm1 9.070 ppm2 2.277 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "16 " and name "HB ") ) 3.300 3.300 0.000 peak 4778 weight 0.10000E+01 volume 0.15480E+01 ppm1 9.071 ppm2 4.285 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "15 " and name "HG1 ") ) 6.000 6.000 0.000 peak 4791 weight 0.10000E+01 volume 0.11100E+00 ppm1 9.072 ppm2 2.864 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "50 " and name "HB1 ") OR (segid " " and resid "15 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4784 weight 0.10000E+01 volume 0.45100E+00 ppm1 9.070 ppm2 2.526 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "17 " and name "HN ") ) 6.000 6.000 0.000 peak 4782 weight 0.10000E+01 volume 0.27300E+00 ppm1 9.071 ppm2 7.769 ASSI ( (segid " " and resid "16 " and name "HN ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 6.000 6.000 0.000 peak 4790 weight 0.10000E+01 volume 0.10400E+00 ppm1 9.067 ppm2 1.893 ASSI ( (segid " " and resid "17 " and name "HN ") )( (segid " " and resid "18 " and name "HN ") ) 6.000 6.000 0.000 peak 5446 weight 0.10000E+01 volume 0.24800E+00 ppm1 7.789 ppm2 7.485 ASSI ( (segid " " and resid "17 " and name "HN ") )( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") ) 3.300 3.300 0.000 peak 5441 weight 0.10000E+01 volume 0.21560E+01 ppm1 7.788 ppm2 3.803 ASSI ( (segid " " and resid "17 " and name "HN ") )( (segid " " and resid "16 " and name "HB ") ) 5.000 5.000 0.000 peak 5442 weight 0.10000E+01 volume 0.80600E+00 ppm1 7.788 ppm2 4.285 ASSI ( (segid " " and resid "17 " and name "HN ") )( (segid " " and resid "16 " and name "HA ") ) 2.700 2.700 0.000 peak 5440 weight 0.10000E+01 volume 0.48330E+01 ppm1 7.788 ppm2 4.463 ASSI ( (segid " " and resid "17 " and name "HN ") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 5.000 5.000 0.000 peak 5443 weight 0.10000E+01 volume 0.55900E+00 ppm1 7.782 ppm2 1.385 ASSI ( (segid " " and resid "18 " and name "HN ") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 6.000 6.000 0.000 peak 5006 weight 0.10000E+01 volume 0.14000E+00 ppm1 7.503 ppm2 1.393 ASSI ( (segid " " and resid "18 " and name "HN ") )( (segid " " and resid "18 " and name "HD2 ") OR (segid " " and resid "18 " and name "HD1 ") ) 5.000 5.000 0.000 peak 5002 weight 0.10000E+01 volume 0.34400E+00 ppm1 7.507 ppm2 1.254 ASSI ( (segid " " and resid "18 " and name "HN ") )( (segid " " and resid "17 " and name "HB2 ") OR (segid " " and resid "17 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4993 weight 0.10000E+01 volume 0.26520E+01 ppm1 7.507 ppm2 3.802 ASSI ( (segid " " and resid "18 " and name "HN ") )( (segid " " and resid "18 " and name "HA ") ) 5.000 5.000 0.000 peak 4997 weight 0.10000E+01 volume 0.10550E+01 ppm1 7.508 ppm2 0.646 ASSI ( (segid " " and resid "18 " and name "HN ") )( (segid " " and resid "18 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4995 weight 0.10000E+01 volume 0.19560E+01 ppm1 7.507 ppm2 0.760 ASSI ( (segid " " and resid "18 " and name "HN ") )( (segid " " and resid "18 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4999 weight 0.10000E+01 volume 0.55200E+00 ppm1 7.506 ppm2 0.174 ASSI ( (segid " " and resid "18 " and name "HN ") )( (segid " " and resid "19 " and name "HN ") ) 5.000 5.000 0.000 peak 5000 weight 0.10000E+01 volume 0.37000E+00 ppm1 7.506 ppm2 5.298 ASSI ( (segid " " and resid "18 " and name "HN ") )( (segid " " and resid "17 " and name "HA ") ) 2.700 2.700 0.000 peak 4991 weight 0.10000E+01 volume 0.34500E+01 ppm1 7.507 ppm2 4.537 ASSI ( (segid " " and resid "18 " and name "HN ") )( (segid " " and resid "18 " and name "HB2 ") ) 3.300 3.300 0.000 peak 4994 weight 0.10000E+01 volume 0.21850E+01 ppm1 7.507 ppm2 0.423 ASSI ( (segid " " and resid "18 " and name "HN ") )( (segid " " and resid "57 " and name "HE1 ") ) 6.000 6.000 0.000 peak 5004 weight 0.10000E+01 volume 0.17000E+00 ppm1 7.505 ppm2 10.290 ASSI ( (segid " " and resid "21 " and name "HN ") )( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 5.000 5.000 0.000 peak 5554 weight 0.10000E+01 volume 0.13160E+01 ppm1 8.040 ppm2 0.708 ASSI ( (segid " " and resid "21 " and name "HN ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 5556 weight 0.10000E+01 volume 0.13770E+01 ppm1 8.039 ppm2 0.768 ASSI ( (segid " " and resid "21 " and name "HN ") )( (segid " " and resid "21 " and name "HB ") ) 3.300 3.300 0.000 peak 5552 weight 0.10000E+01 volume 0.19550E+01 ppm1 8.039 ppm2 1.915 ASSI ( (segid " " and resid "21 " and name "HN ") )( (segid " " and resid "20 " and name "HA ") ) 2.700 2.700 0.000 peak 5551 weight 0.10000E+01 volume 0.41680E+01 ppm1 8.038 ppm2 4.107 ASSI ( (segid " " and resid "21 " and name "HN ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 6.000 6.000 0.000 peak 5561 weight 0.10000E+01 volume 0.20200E+00 ppm1 8.040 ppm2 0.982 ASSI ( (segid " " and resid "21 " and name "HN ") )( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") OR (segid " " and resid "19 " and name "HB ") ) 5.000 5.000 0.000 peak 5560 weight 0.10000E+01 volume 0.30300E+00 ppm1 8.039 ppm2 1.307 ASSI ( (segid " " and resid "21 " and name "HN ") )( (segid " " and resid "20 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5558 weight 0.10000E+01 volume 0.63600E+00 ppm1 8.040 ppm2 1.757 ASSI ( (segid " " and resid "21 " and name "HN ") )( (segid " " and resid "20 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5557 weight 0.10000E+01 volume 0.70900E+00 ppm1 8.040 ppm2 2.260 ASSI ( (segid " " and resid "21 " and name "HN ") )( (segid " " and resid "23 " and name "HN ") ) 5.000 5.000 0.000 peak 5553 weight 0.10000E+01 volume 0.10390E+01 ppm1 8.040 ppm2 8.413 ASSI ( (segid " " and resid "21 " and name "HN ") )( (segid " " and resid "24 " and name "HN ") OR (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 5559 weight 0.10000E+01 volume 0.16300E+00 ppm1 8.041 ppm2 7.708 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "20 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5286 weight 0.10000E+01 volume 0.79700E+00 ppm1 8.429 ppm2 1.757 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "21 " and name "HB ") ) 5.000 5.000 0.000 peak 5285 weight 0.10000E+01 volume 0.66900E+00 ppm1 8.429 ppm2 1.929 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") ) 2.700 2.700 0.000 peak 5279 weight 0.10000E+01 volume 0.41260E+01 ppm1 8.430 ppm2 1.327 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "21 " and name "HG23") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 5.000 5.000 0.000 peak 5284 weight 0.10000E+01 volume 0.12390E+01 ppm1 8.430 ppm2 0.707 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "23 " and name "HG ") OR (segid " " and resid "23 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5290 weight 0.10000E+01 volume 0.40300E+00 ppm1 8.430 ppm2 1.656 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 5287 weight 0.10000E+01 volume 0.86000E+00 ppm1 8.430 ppm2 0.795 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "20 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5289 weight 0.10000E+01 volume 0.42200E+00 ppm1 8.429 ppm2 2.255 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "23 " and name "HN ") ) 3.300 3.300 0.000 peak 5281 weight 0.10000E+01 volume 0.16330E+01 ppm1 8.430 ppm2 7.710 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 5288 weight 0.10000E+01 volume 0.44400E+00 ppm1 8.430 ppm2 3.664 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 6.000 6.000 0.000 peak 5293 weight 0.10000E+01 volume 0.11000E+00 ppm1 8.429 ppm2 0.978 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "20 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4836 weight 0.10000E+01 volume 0.24000E+00 ppm1 7.739 ppm2 2.268 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "23 " and name "HD23") OR (segid " " and resid "23 " and name "HD22") OR (segid " " and resid "23 " and name "HD21") ) 5.000 5.000 0.000 peak 4832 weight 0.10000E+01 volume 0.12150E+01 ppm1 7.737 ppm2 0.821 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "24 " and name "HG ") ) 5.000 5.000 0.000 peak 4833 weight 0.10000E+01 volume 0.63700E+00 ppm1 7.737 ppm2 1.925 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 6.000 6.000 0.000 peak 4838 weight 0.10000E+01 volume 0.21700E+00 ppm1 7.737 ppm2 0.977 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "23 " and name "HB3 ") OR (segid " " and resid "23 " and name "HB2 ") OR (segid " " and resid "23 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4830 weight 0.10000E+01 volume 0.13870E+01 ppm1 7.738 ppm2 1.326 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "23 " and name "HB2 ") ) 3.300 3.300 0.000 peak 4828 weight 0.10000E+01 volume 0.27600E+01 ppm1 7.738 ppm2 1.700 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "24 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4837 weight 0.10000E+01 volume 0.14500E+00 ppm1 7.739 ppm2 2.170 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 4834 weight 0.10000E+01 volume 0.33200E+00 ppm1 7.737 ppm2 3.658 ASSI ( (segid " " and resid "23 " and name "HN ") )( (segid " " and resid "21 " and name "HN ") ) 6.000 6.000 0.000 peak 4835 weight 0.10000E+01 volume 0.13700E+00 ppm1 7.737 ppm2 8.032 ASSI ( (segid " " and resid "24 " and name "HN ") )( (segid " " and resid "24 " and name "HB2 ") ) 3.300 3.300 0.000 peak 5021 weight 0.10000E+01 volume 0.15900E+01 ppm1 7.697 ppm2 1.287 ASSI ( (segid " " and resid "24 " and name "HN ") )( (segid " " and resid "21 " and name "HA ") ) 5.000 5.000 0.000 peak 5023 weight 0.10000E+01 volume 0.63400E+00 ppm1 7.698 ppm2 3.664 ASSI ( (segid " " and resid "24 " and name "HN ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 5.000 5.000 0.000 peak 5022 weight 0.10000E+01 volume 0.10000E+01 ppm1 7.698 ppm2 0.984 ASSI ( (segid " " and resid "24 " and name "HN ") )( (segid " " and resid "23 " and name "HA ") ) 5.000 5.000 0.000 peak 5025 weight 0.10000E+01 volume 0.73800E+00 ppm1 7.697 ppm2 4.222 ASSI ( (segid " " and resid "24 " and name "HN ") )( (segid " " and resid "23 " and name "HN ") ) 6.000 6.000 0.000 peak 5026 weight 0.10000E+01 volume 0.21700E+00 ppm1 7.700 ppm2 8.415 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5277 weight 0.10000E+01 volume 0.83000E-01 ppm1 8.820 ppm2 3.333 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "26 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5278 weight 0.10000E+01 volume 0.85000E-01 ppm1 8.821 ppm2 3.139 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "42 " and name "HB1 ") OR (segid " " and resid "24 " and name "HG ") ) 6.000 6.000 0.000 peak 5272 weight 0.10000E+01 volume 0.26800E+00 ppm1 8.824 ppm2 1.919 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "24 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5271 weight 0.10000E+01 volume 0.29900E+00 ppm1 8.823 ppm2 2.150 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "43 " and name "HA ") ) 5.000 5.000 0.000 peak 5267 weight 0.10000E+01 volume 0.72000E+00 ppm1 8.825 ppm2 5.435 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") ) 5.000 5.000 0.000 peak 5266 weight 0.10000E+01 volume 0.14610E+01 ppm1 8.824 ppm2 0.726 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "25 " and name "HG11") ) 5.000 5.000 0.000 peak 5268 weight 0.10000E+01 volume 0.69900E+00 ppm1 8.825 ppm2 1.055 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "24 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5270 weight 0.10000E+01 volume 0.55900E+00 ppm1 8.822 ppm2 1.287 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "25 " and name "HB ") ) 5.000 5.000 0.000 peak 5269 weight 0.10000E+01 volume 0.56800E+00 ppm1 8.823 ppm2 1.754 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 5273 weight 0.10000E+01 volume 0.22700E+00 ppm1 8.823 ppm2 4.853 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "26 " and name "HA ") ) 6.000 6.000 0.000 peak 5275 weight 0.10000E+01 volume 0.14500E+00 ppm1 8.824 ppm2 4.982 ASSI ( (segid " " and resid "25 " and name "HN ") )( (segid " " and resid "26 " and name "HN ") ) 3.300 3.300 0.000 peak 5264 weight 0.10000E+01 volume 0.19150E+01 ppm1 8.825 ppm2 7.655 ASSI ( (segid " " and resid "26 " and name "HN ") )( (segid " " and resid "42 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5018 weight 0.10000E+01 volume 0.10300E+00 ppm1 7.675 ppm2 2.719 ASSI ( (segid " " and resid "26 " and name "HN ") )( (segid " " and resid "25 " and name "HG11") ) 5.000 5.000 0.000 peak 5014 weight 0.10000E+01 volume 0.10130E+01 ppm1 7.673 ppm2 1.056 ASSI ( (segid " " and resid "26 " and name "HN ") )( (segid " " and resid "26 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5011 weight 0.10000E+01 volume 0.64700E+00 ppm1 7.673 ppm2 3.129 ASSI ( (segid " " and resid "26 " and name "HN ") )( (segid " " and resid "26 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5010 weight 0.10000E+01 volume 0.60200E+00 ppm1 7.673 ppm2 3.332 ASSI ( (segid " " and resid "26 " and name "HN ") )( (segid " " and resid "42 " and name "HN ") ) 5.000 5.000 0.000 peak 5012 weight 0.10000E+01 volume 0.63400E+00 ppm1 7.672 ppm2 8.530 ASSI ( (segid " " and resid "26 " and name "HN ") )( (segid " " and resid "42 " and name "HB2 ") OR (segid " " and resid "25 " and name "HB ") ) 5.000 5.000 0.000 peak 5013 weight 0.10000E+01 volume 0.11570E+01 ppm1 7.675 ppm2 1.756 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "42 " and name "HN ") OR (segid " " and resid "26 " and name "HE1 ") ) 6.000 6.000 0.000 peak 5081 weight 0.10000E+01 volume 0.13200E+00 ppm1 7.849 ppm2 8.520 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "26 " and name "HD2 ") ) 6.000 6.000 0.000 peak 5078 weight 0.10000E+01 volume 0.10000E+00 ppm1 7.853 ppm2 7.306 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") ) 5.000 5.000 0.000 peak 5071 weight 0.10000E+01 volume 0.79400E+00 ppm1 7.849 ppm2 0.794 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "26 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5068 weight 0.10000E+01 volume 0.71300E+00 ppm1 7.849 ppm2 3.128 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "28 " and name "HN ") ) 6.000 6.000 0.000 peak 5075 weight 0.10000E+01 volume 0.19000E+00 ppm1 7.848 ppm2 8.684 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "27 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5074 weight 0.10000E+01 volume 0.22300E+00 ppm1 7.849 ppm2 2.807 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "26 " and name "HA ") ) 2.700 2.700 0.000 peak 5066 weight 0.10000E+01 volume 0.33260E+01 ppm1 7.850 ppm2 4.985 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "27 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5073 weight 0.10000E+01 volume 0.31400E+00 ppm1 7.849 ppm2 2.538 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "26 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5070 weight 0.10000E+01 volume 0.62900E+00 ppm1 7.848 ppm2 3.335 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 6.000 6.000 0.000 peak 5076 weight 0.10000E+01 volume 0.16800E+00 ppm1 7.850 ppm2 6.808 ASSI ( (segid " " and resid "27 " and name "HN ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 5.000 5.000 0.000 peak 5069 weight 0.10000E+01 volume 0.76700E+00 ppm1 7.848 ppm2 6.687 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "41 " and name "HG ") OR (segid " " and resid "39 " and name "HB ") ) 6.000 6.000 0.000 peak 4711 weight 0.10000E+01 volume 0.12400E+00 ppm1 8.702 ppm2 1.677 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "29 " and name "HN ") ) 6.000 6.000 0.000 peak 4709 weight 0.10000E+01 volume 0.17900E+00 ppm1 8.702 ppm2 9.061 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "40 " and name "HN ") ) 5.000 5.000 0.000 peak 4700 weight 0.10000E+01 volume 0.78000E+00 ppm1 8.701 ppm2 9.334 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "28 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4704 weight 0.10000E+01 volume 0.59000E+00 ppm1 8.702 ppm2 2.282 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "41 " and name "HA ") OR (segid " " and resid "40 " and name "HA ") ) 5.000 5.000 0.000 peak 4706 weight 0.10000E+01 volume 0.38100E+00 ppm1 8.702 ppm2 4.959 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") ) 5.000 5.000 0.000 peak 4705 weight 0.10000E+01 volume 0.59200E+00 ppm1 8.701 ppm2 0.818 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "40 " and name "HG12") ) 6.000 6.000 0.000 peak 4710 weight 0.10000E+01 volume 0.13800E+00 ppm1 8.702 ppm2 1.228 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "40 " and name "HG11") ) 6.000 6.000 0.000 peak 4713 weight 0.10000E+01 volume 0.90000E-01 ppm1 8.702 ppm2 1.363 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "40 " and name "HB ") ) 5.000 5.000 0.000 peak 4698 weight 0.10000E+01 volume 0.11530E+01 ppm1 8.701 ppm2 1.971 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "28 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4703 weight 0.10000E+01 volume 0.79500E+00 ppm1 8.701 ppm2 2.131 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "27 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4701 weight 0.10000E+01 volume 0.68800E+00 ppm1 8.701 ppm2 2.541 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "27 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4699 weight 0.10000E+01 volume 0.92100E+00 ppm1 8.702 ppm2 2.804 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "28 " and name "HE22") OR (segid " " and resid "27 " and name "HE2 ") ) 6.000 6.000 0.000 peak 4712 weight 0.10000E+01 volume 0.13600E+00 ppm1 8.704 ppm2 6.815 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 5.000 5.000 0.000 peak 4697 weight 0.10000E+01 volume 0.14250E+01 ppm1 8.703 ppm2 0.713 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "27 " and name "HA ") ) 3.300 3.300 0.000 peak 4695 weight 0.10000E+01 volume 0.25990E+01 ppm1 8.703 ppm2 5.891 ASSI ( (segid " " and resid "28 " and name "HN ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4702 weight 0.10000E+01 volume 0.63600E+00 ppm1 8.703 ppm2 6.688 ASSI ( (segid " " and resid "29 " and name "HN ") )( (segid " " and resid "29 " and name "HE22") OR (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5176 weight 0.10000E+01 volume 0.20600E+00 ppm1 9.087 ppm2 6.684 ASSI ( (segid " " and resid "29 " and name "HN ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 6.000 6.000 0.000 peak 5175 weight 0.10000E+01 volume 0.24600E+00 ppm1 9.086 ppm2 0.673 ASSI ( (segid " " and resid "29 " and name "HN ") )( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5172 weight 0.10000E+01 volume 0.12730E+01 ppm1 9.086 ppm2 2.458 ASSI ( (segid " " and resid "29 " and name "HN ") )( (segid " " and resid "29 " and name "HE21") OR (segid " " and resid "28 " and name "HE21") ) 6.000 6.000 0.000 peak 5181 weight 0.10000E+01 volume 0.50000E-01 ppm1 9.087 ppm2 7.580 ASSI ( (segid " " and resid "29 " and name "HN ") )( (segid " " and resid "29 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB2 ") OR (segid " " and resid "28 " and name "HB1 ") ) 3.300 3.300 0.000 peak 5170 weight 0.10000E+01 volume 0.28600E+01 ppm1 9.088 ppm2 1.984 ASSI ( (segid " " and resid "29 " and name "HN ") )( (segid " " and resid "29 " and name "HB1 ") ) 3.300 3.300 0.000 peak 5171 weight 0.10000E+01 volume 0.19630E+01 ppm1 9.087 ppm2 2.145 ASSI ( (segid " " and resid "29 " and name "HN ") )( (segid " " and resid "29 " and name "HA ") OR (segid " " and resid "28 " and name "HA ") ) 2.700 2.700 0.000 peak 5169 weight 0.10000E+01 volume 0.42230E+01 ppm1 9.088 ppm2 4.469 ASSI ( (segid " " and resid "29 " and name "HN ") )( (segid " " and resid "28 " and name "HE22") OR (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 6.000 6.000 0.000 peak 5178 weight 0.10000E+01 volume 0.98000E-01 ppm1 9.086 ppm2 6.810 ASSI ( (segid " " and resid "29 " and name "HN ") )( (segid " " and resid "30 " and name "HN ") OR (segid " " and resid "28 " and name "HN ") ) 5.000 5.000 0.000 peak 5173 weight 0.10000E+01 volume 0.43600E+00 ppm1 9.086 ppm2 8.678 ASSI ( (segid " " and resid "29 " and name "HN ") )( (segid " " and resid "28 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5174 weight 0.10000E+01 volume 0.34300E+00 ppm1 9.086 ppm2 2.273 ASSI ( (segid " " and resid "29 " and name "HE22") )( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") ) 6.000 6.000 0.000 peak 8734 weight 0.10000E+01 volume 0.13000E+00 ppm1 6.717 ppm2 1.731 ASSI ( (segid " " and resid "29 " and name "HE22") )( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8728 weight 0.10000E+01 volume 0.31800E+00 ppm1 6.717 ppm2 2.459 ASSI ( (segid " " and resid "29 " and name "HE22") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") ) 6.000 6.000 0.000 peak 8730 weight 0.10000E+01 volume 0.23700E+00 ppm1 6.716 ppm2 0.666 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "30 " and name "HD22") OR (segid " " and resid "29 " and name "HE22") ) 6.000 6.000 0.000 peak 5224 weight 0.10000E+01 volume 0.12000E+00 ppm1 8.687 ppm2 6.752 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "39 " and name "HB ") OR (segid " " and resid "37 " and name "HB2 ") OR (segid " " and resid "37 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5222 weight 0.10000E+01 volume 0.12500E+00 ppm1 8.688 ppm2 1.699 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "30 " and name "HD21") ) 6.000 6.000 0.000 peak 5218 weight 0.10000E+01 volume 0.17800E+00 ppm1 8.688 ppm2 7.284 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "40 " and name "HN ") ) 6.000 6.000 0.000 peak 5219 weight 0.10000E+01 volume 0.26400E+00 ppm1 8.689 ppm2 9.331 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "40 " and name "HB ") OR (segid " " and resid "29 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5213 weight 0.10000E+01 volume 0.64800E+00 ppm1 8.687 ppm2 1.978 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "37 " and name "HA ") ) 6.000 6.000 0.000 peak 5223 weight 0.10000E+01 volume 0.15200E+00 ppm1 8.689 ppm2 4.174 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "40 " and name "HG12") ) 6.000 6.000 0.000 peak 5217 weight 0.10000E+01 volume 0.27200E+00 ppm1 8.688 ppm2 1.226 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "29 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5210 weight 0.10000E+01 volume 0.83700E+00 ppm1 8.687 ppm2 2.154 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "29 " and name "HA ") ) 2.700 2.700 0.000 peak 5206 weight 0.10000E+01 volume 0.39410E+01 ppm1 8.688 ppm2 4.492 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "38 " and name "HN ") ) 5.000 5.000 0.000 peak 5215 weight 0.10000E+01 volume 0.41700E+00 ppm1 8.687 ppm2 7.795 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "31 " and name "HN ") ) 5.000 5.000 0.000 peak 5216 weight 0.10000E+01 volume 0.31200E+00 ppm1 8.687 ppm2 7.966 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "40 " and name "HG11") ) 5.000 5.000 0.000 peak 5214 weight 0.10000E+01 volume 0.42800E+00 ppm1 8.689 ppm2 1.358 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5211 weight 0.10000E+01 volume 0.52400E+00 ppm1 8.687 ppm2 2.460 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "30 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5208 weight 0.10000E+01 volume 0.14850E+01 ppm1 8.688 ppm2 2.684 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "39 " and name "HD13") OR (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") OR (segid " " and resid "39 " and name "HG22") ) 5.000 5.000 0.000 peak 5212 weight 0.10000E+01 volume 0.86100E+00 ppm1 8.688 ppm2 0.690 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "30 " and name "HB1 ") ) 3.300 3.300 0.000 peak 5207 weight 0.10000E+01 volume 0.15870E+01 ppm1 8.688 ppm2 2.821 ASSI ( (segid " " and resid "30 " and name "HN ") )( (segid " " and resid "39 " and name "HN ") OR (segid " " and resid "29 " and name "HN ") ) 5.000 5.000 0.000 peak 5220 weight 0.10000E+01 volume 0.32600E+00 ppm1 8.688 ppm2 9.067 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "40 " and name "HG11") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5380 weight 0.10000E+01 volume 0.22800E+00 ppm1 7.974 ppm2 1.377 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") OR (segid " " and resid "10 " and name "HG23") OR (segid " " and resid "10 " and name "HG22") OR (segid " " and resid "10 " and name "HG21") ) 5.000 5.000 0.000 peak 5377 weight 0.10000E+01 volume 0.31400E+00 ppm1 7.975 ppm2 0.731 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "31 " and name "HB2 ") ) 3.300 3.300 0.000 peak 5371 weight 0.10000E+01 volume 0.19780E+01 ppm1 7.977 ppm2 1.970 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "30 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5376 weight 0.10000E+01 volume 0.50100E+00 ppm1 7.977 ppm2 2.808 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "30 " and name "HA ") ) 2.700 2.700 0.000 peak 5370 weight 0.10000E+01 volume 0.31810E+01 ppm1 7.977 ppm2 4.727 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "31 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5374 weight 0.10000E+01 volume 0.11240E+01 ppm1 7.976 ppm2 2.179 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") ) 3.300 3.300 0.000 peak 5372 weight 0.10000E+01 volume 0.15710E+01 ppm1 7.976 ppm2 2.444 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "30 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5375 weight 0.10000E+01 volume 0.58100E+00 ppm1 7.976 ppm2 2.680 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "40 " and name "HG12") ) 6.000 6.000 0.000 peak 5385 weight 0.10000E+01 volume 0.10800E+00 ppm1 7.977 ppm2 1.226 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "34 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5379 weight 0.10000E+01 volume 0.29300E+00 ppm1 7.977 ppm2 2.983 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "34 " and name "HN ") ) 6.000 6.000 0.000 peak 5382 weight 0.10000E+01 volume 0.29100E+00 ppm1 7.976 ppm2 7.608 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "34 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5384 weight 0.10000E+01 volume 0.14100E+00 ppm1 7.978 ppm2 3.809 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "30 " and name "HD21") ) 6.000 6.000 0.000 peak 5383 weight 0.10000E+01 volume 0.11200E+00 ppm1 7.977 ppm2 7.282 ASSI ( (segid " " and resid "31 " and name "HN ") )( (segid " " and resid "32 " and name "HN ") OR (segid " " and resid "30 " and name "HN ") ) 5.000 5.000 0.000 peak 5378 weight 0.10000E+01 volume 0.43000E+00 ppm1 7.976 ppm2 8.724 ASSI ( (segid " " and resid "31 " and name "HE21") )( (segid " " and resid "31 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8845 weight 0.10000E+01 volume 0.92000E-01 ppm1 7.553 ppm2 2.175 ASSI ( (segid " " and resid "31 " and name "HE21") )( (segid " " and resid "31 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8844 weight 0.10000E+01 volume 0.99000E-01 ppm1 7.551 ppm2 1.972 ASSI ( (segid " " and resid "31 " and name "HE21") )( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8834 weight 0.10000E+01 volume 0.75100E+00 ppm1 7.553 ppm2 2.443 ASSI ( (segid " " and resid "31 " and name "HE21") )( (segid " " and resid "31 " and name "HE22") ) 2.700 2.700 0.000 peak 8833 weight 0.10000E+01 volume 0.12921E+02 ppm1 7.553 ppm2 6.870 ASSI ( (segid " " and resid "32 " and name "HN ") )( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4630 weight 0.10000E+01 volume 0.46300E+00 ppm1 8.765 ppm2 2.443 ASSI ( (segid " " and resid "32 " and name "HN ") )( (segid " " and resid "31 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4629 weight 0.10000E+01 volume 0.72800E+00 ppm1 8.766 ppm2 2.179 ASSI ( (segid " " and resid "32 " and name "HN ") )( (segid " " and resid "31 " and name "HA ") ) 2.700 2.700 0.000 peak 4613 weight 0.10000E+01 volume 0.34130E+01 ppm1 8.766 ppm2 4.226 ASSI ( (segid " " and resid "32 " and name "HN ") )( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4627 weight 0.10000E+01 volume 0.28320E+01 ppm1 8.765 ppm2 1.402 ASSI ( (segid " " and resid "32 " and name "HN ") )( (segid " " and resid "33 " and name "HN ") ) 5.000 5.000 0.000 peak 4631 weight 0.10000E+01 volume 0.67200E+00 ppm1 8.766 ppm2 8.043 ASSI ( (segid " " and resid "32 " and name "HN ") )( (segid " " and resid "31 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4633 weight 0.10000E+01 volume 0.42000E+00 ppm1 8.766 ppm2 1.970 ASSI ( (segid " " and resid "32 " and name "HN ") )( (segid " " and resid "34 " and name "HN ") ) 6.000 6.000 0.000 peak 4636 weight 0.10000E+01 volume 0.69000E-01 ppm1 8.765 ppm2 7.604 ASSI ( (segid " " and resid "33 " and name "HN ") )( (segid " " and resid "31 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5510 weight 0.10000E+01 volume 0.21700E+00 ppm1 8.060 ppm2 1.969 ASSI ( (segid " " and resid "33 " and name "HN ") )( (segid " " and resid "32 " and name "HA ") ) 3.300 3.300 0.000 peak 5502 weight 0.10000E+01 volume 0.16020E+01 ppm1 8.060 ppm2 4.092 ASSI ( (segid " " and resid "33 " and name "HN ") )( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5509 weight 0.10000E+01 volume 0.19900E+00 ppm1 8.059 ppm2 2.441 ASSI ( (segid " " and resid "33 " and name "HN ") )( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5504 weight 0.10000E+01 volume 0.10330E+01 ppm1 8.059 ppm2 1.401 ASSI ( (segid " " and resid "33 " and name "HN ") )( (segid " " and resid "31 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5508 weight 0.10000E+01 volume 0.36700E+00 ppm1 8.061 ppm2 2.179 ASSI ( (segid " " and resid "33 " and name "HN ") )( (segid " " and resid "33 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5505 weight 0.10000E+01 volume 0.91400E+00 ppm1 8.058 ppm2 3.914 ASSI ( (segid " " and resid "33 " and name "HN ") )( (segid " " and resid "34 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5511 weight 0.10000E+01 volume 0.78000E-01 ppm1 8.060 ppm2 2.964 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "8 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5065 weight 0.10000E+01 volume 0.74000E-01 ppm1 7.636 ppm2 2.623 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "35 " and name "HA2 ") ) 6.000 6.000 0.000 peak 5062 weight 0.10000E+01 volume 0.12500E+00 ppm1 7.635 ppm2 3.647 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "31 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5058 weight 0.10000E+01 volume 0.16500E+00 ppm1 7.635 ppm2 2.183 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "33 " and name "HB2 ") OR (segid " " and resid "33 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5053 weight 0.10000E+01 volume 0.44400E+00 ppm1 7.635 ppm2 3.943 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "32 " and name "HB3 ") OR (segid " " and resid "32 " and name "HB2 ") OR (segid " " and resid "32 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5056 weight 0.10000E+01 volume 0.21600E+00 ppm1 7.635 ppm2 1.391 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "31 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5054 weight 0.10000E+01 volume 0.24400E+00 ppm1 7.634 ppm2 1.965 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "33 " and name "HA ") ) 5.000 5.000 0.000 peak 5051 weight 0.10000E+01 volume 0.89900E+00 ppm1 7.635 ppm2 4.333 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "34 " and name "HB2 ") ) 3.300 3.300 0.000 peak 5042 weight 0.10000E+01 volume 0.18750E+01 ppm1 7.635 ppm2 2.973 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "34 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5050 weight 0.10000E+01 volume 0.11240E+01 ppm1 7.635 ppm2 3.812 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "32 " and name "HA ") ) 5.000 5.000 0.000 peak 5052 weight 0.10000E+01 volume 0.46900E+00 ppm1 7.634 ppm2 4.100 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "33 " and name "HN ") ) 3.300 3.300 0.000 peak 5043 weight 0.10000E+01 volume 0.15590E+01 ppm1 7.634 ppm2 8.043 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "31 " and name "HG2 ") OR (segid " " and resid "31 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5061 weight 0.10000E+01 volume 0.94000E-01 ppm1 7.634 ppm2 2.442 ASSI ( (segid " " and resid "34 " and name "HN ") )( (segid " " and resid "35 " and name "HN ") ) 5.000 5.000 0.000 peak 5048 weight 0.10000E+01 volume 0.11200E+01 ppm1 7.634 ppm2 8.328 ASSI ( (segid " " and resid "35 " and name "HN ") )( (segid " " and resid "34 " and name "HA ") ) 5.000 5.000 0.000 peak 5343 weight 0.10000E+01 volume 0.11700E+01 ppm1 8.340 ppm2 5.020 ASSI ( (segid " " and resid "35 " and name "HN ") )( (segid " " and resid "34 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5348 weight 0.10000E+01 volume 0.26800E+00 ppm1 8.344 ppm2 2.974 ASSI ( (segid " " and resid "35 " and name "HN ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 6.000 6.000 0.000 peak 5346 weight 0.10000E+01 volume 0.21000E+00 ppm1 8.341 ppm2 0.992 ASSI ( (segid " " and resid "35 " and name "HN ") )( (segid " " and resid "34 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5347 weight 0.10000E+01 volume 0.31500E+00 ppm1 8.340 ppm2 3.810 ASSI ( (segid " " and resid "35 " and name "HN ") )( (segid " " and resid "36 " and name "HN ") ) 5.000 5.000 0.000 peak 5345 weight 0.10000E+01 volume 0.48800E+00 ppm1 8.341 ppm2 8.021 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "11 " and name "HG23") OR (segid " " and resid "11 " and name "HG22") OR (segid " " and resid "11 " and name "HG21") ) 6.000 6.000 0.000 peak 5535 weight 0.10000E+01 volume 0.18100E+00 ppm1 8.032 ppm2 0.994 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "36 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5530 weight 0.10000E+01 volume 0.12270E+01 ppm1 8.032 ppm2 1.656 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "12 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5534 weight 0.10000E+01 volume 0.48300E+00 ppm1 8.032 ppm2 2.612 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "12 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5532 weight 0.10000E+01 volume 0.70600E+00 ppm1 8.031 ppm2 3.014 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "12 " and name "HA ") ) 6.000 6.000 0.000 peak 5537 weight 0.10000E+01 volume 0.17800E+00 ppm1 8.031 ppm2 5.034 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "37 " and name "HN ") OR (segid " " and resid "35 " and name "HN ") ) 5.000 5.000 0.000 peak 5531 weight 0.10000E+01 volume 0.78000E+00 ppm1 8.031 ppm2 8.314 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "35 " and name "HA1 ") ) 3.300 3.300 0.000 peak 5525 weight 0.10000E+01 volume 0.26180E+01 ppm1 8.031 ppm2 4.270 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "36 " and name "HB2 ") ) 3.300 3.300 0.000 peak 5527 weight 0.10000E+01 volume 0.20440E+01 ppm1 8.031 ppm2 1.340 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "36 " and name "HG2 ") OR (segid " " and resid "36 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5529 weight 0.10000E+01 volume 0.14210E+01 ppm1 8.031 ppm2 1.440 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "30 " and name "HD21") ) 6.000 6.000 0.000 peak 5540 weight 0.10000E+01 volume 0.92000E-01 ppm1 8.032 ppm2 7.285 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "35 " and name "HA2 ") ) 3.300 3.300 0.000 peak 5526 weight 0.10000E+01 volume 0.16430E+01 ppm1 8.031 ppm2 3.647 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "30 " and name "HD22") ) 6.000 6.000 0.000 peak 5541 weight 0.10000E+01 volume 0.75000E-01 ppm1 8.032 ppm2 6.760 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 6.000 6.000 0.000 peak 5536 weight 0.10000E+01 volume 0.12600E+00 ppm1 8.029 ppm2 1.910 ASSI ( (segid " " and resid "36 " and name "HN ") )( (segid " " and resid "34 " and name "HB1 ") OR (segid " " and resid "13 " and name "HB2 ") OR (segid " " and resid "13 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5538 weight 0.10000E+01 volume 0.23500E+00 ppm1 8.030 ppm2 3.813 ASSI ( (segid " " and resid "37 " and name "HN ") )( (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5337 weight 0.10000E+01 volume 0.15900E+00 ppm1 8.305 ppm2 3.174 ASSI ( (segid " " and resid "37 " and name "HN ") )( (segid " " and resid "37 " and name "HG2 ") OR (segid " " and resid "37 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5333 weight 0.10000E+01 volume 0.81200E+00 ppm1 8.307 ppm2 1.518 ASSI ( (segid " " and resid "37 " and name "HN ") )( (segid " " and resid "37 " and name "HB2 ") OR (segid " " and resid "37 " and name "HB1 ") OR (segid " " and resid "36 " and name "HB1 ") ) 2.700 2.700 0.000 peak 5331 weight 0.10000E+01 volume 0.37200E+01 ppm1 8.307 ppm2 1.695 ASSI ( (segid " " and resid "37 " and name "HN ") )( (segid " " and resid "36 " and name "HA ") ) 2.700 2.700 0.000 peak 5330 weight 0.10000E+01 volume 0.35190E+01 ppm1 8.307 ppm2 4.033 ASSI ( (segid " " and resid "37 " and name "HN ") )( (segid " " and resid "36 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5334 weight 0.10000E+01 volume 0.64800E+00 ppm1 8.307 ppm2 1.361 ASSI ( (segid " " and resid "37 " and name "HN ") )( (segid " " and resid "36 " and name "HN ") ) 6.000 6.000 0.000 peak 5336 weight 0.10000E+01 volume 0.17600E+00 ppm1 8.307 ppm2 7.999 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "52 " and name "HB2 ") OR (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5413 weight 0.10000E+01 volume 0.10700E+00 ppm1 7.820 ppm2 2.470 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "37 " and name "HN ") ) 5.000 5.000 0.000 peak 5392 weight 0.10000E+01 volume 0.36200E+00 ppm1 7.818 ppm2 8.287 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "39 " and name "HA ") ) 6.000 6.000 0.000 peak 5405 weight 0.10000E+01 volume 0.14700E+00 ppm1 7.819 ppm2 4.490 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") OR (segid " " and resid "39 " and name "HD11") ) 6.000 6.000 0.000 peak 5404 weight 0.10000E+01 volume 0.17000E+00 ppm1 7.817 ppm2 0.717 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "37 " and name "HG2 ") OR (segid " " and resid "37 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5399 weight 0.10000E+01 volume 0.35400E+00 ppm1 7.818 ppm2 1.524 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "30 " and name "HD22") ) 5.000 5.000 0.000 peak 5398 weight 0.10000E+01 volume 0.34900E+00 ppm1 7.818 ppm2 6.757 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "38 " and name "HA ") ) 5.000 5.000 0.000 peak 5394 weight 0.10000E+01 volume 0.62200E+00 ppm1 7.817 ppm2 4.627 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 6.000 6.000 0.000 peak 5409 weight 0.10000E+01 volume 0.12400E+00 ppm1 7.822 ppm2 1.953 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "30 " and name "HD21") ) 5.000 5.000 0.000 peak 5396 weight 0.10000E+01 volume 0.36600E+00 ppm1 7.818 ppm2 7.281 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "37 " and name "HB2 ") OR (segid " " and resid "37 " and name "HB1 ") OR (segid " " and resid "36 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5390 weight 0.10000E+01 volume 0.13260E+01 ppm1 7.818 ppm2 1.696 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "30 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5391 weight 0.10000E+01 volume 0.91900E+00 ppm1 7.818 ppm2 2.822 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "37 " and name "HA ") ) 2.700 2.700 0.000 peak 5388 weight 0.10000E+01 volume 0.48580E+01 ppm1 7.819 ppm2 4.169 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5389 weight 0.10000E+01 volume 0.13820E+01 ppm1 7.818 ppm2 1.357 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "30 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5395 weight 0.10000E+01 volume 0.66600E+00 ppm1 7.818 ppm2 2.692 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "39 " and name "HN ") ) 6.000 6.000 0.000 peak 5402 weight 0.10000E+01 volume 0.16000E+00 ppm1 7.819 ppm2 9.021 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "37 " and name "HD2 ") OR (segid " " and resid "37 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5400 weight 0.10000E+01 volume 0.19400E+00 ppm1 7.818 ppm2 3.173 ASSI ( (segid " " and resid "38 " and name "HN ") )( (segid " " and resid "12 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5412 weight 0.10000E+01 volume 0.89000E-01 ppm1 7.819 ppm2 2.991 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "51 " and name "HN ") ) 5.000 5.000 0.000 peak 4904 weight 0.10000E+01 volume 0.53700E+00 ppm1 9.040 ppm2 9.792 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 4911 weight 0.10000E+01 volume 0.17300E+00 ppm1 9.042 ppm2 0.200 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "39 " and name "HD12") OR (segid " " and resid "39 " and name "HD11") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 5.000 5.000 0.000 peak 4905 weight 0.10000E+01 volume 0.94800E+00 ppm1 9.041 ppm2 0.691 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "38 " and name "HA ") ) 5.000 5.000 0.000 peak 4901 weight 0.10000E+01 volume 0.14330E+01 ppm1 9.041 ppm2 4.625 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "39 " and name "HG12") ) 5.000 5.000 0.000 peak 4903 weight 0.10000E+01 volume 0.10080E+01 ppm1 9.040 ppm2 1.247 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "53 " and name "HG2 ") OR (segid " " and resid "53 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4910 weight 0.10000E+01 volume 0.35400E+00 ppm1 9.040 ppm2 1.823 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4908 weight 0.10000E+01 volume 0.35200E+00 ppm1 9.041 ppm2 1.066 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4900 weight 0.10000E+01 volume 0.20540E+01 ppm1 9.041 ppm2 1.356 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "39 " and name "HB ") ) 3.300 3.300 0.000 peak 4902 weight 0.10000E+01 volume 0.15590E+01 ppm1 9.041 ppm2 1.689 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "53 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4906 weight 0.10000E+01 volume 0.74800E+00 ppm1 9.040 ppm2 4.033 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "52 " and name "HA ") ) 5.000 5.000 0.000 peak 4909 weight 0.10000E+01 volume 0.32200E+00 ppm1 9.041 ppm2 4.776 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 6.000 6.000 0.000 peak 4913 weight 0.10000E+01 volume 0.15900E+00 ppm1 9.039 ppm2 1.964 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "50 " and name "HA ") ) 6.000 6.000 0.000 peak 4912 weight 0.10000E+01 volume 0.15500E+00 ppm1 9.042 ppm2 5.098 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "40 " and name "HN ") ) 6.000 6.000 0.000 peak 4915 weight 0.10000E+01 volume 0.16800E+00 ppm1 9.040 ppm2 9.337 ASSI ( (segid " " and resid "39 " and name "HN ") )( (segid " " and resid "52 " and name "HN ") OR (segid " " and resid "30 " and name "HN ") ) 6.000 6.000 0.000 peak 4916 weight 0.10000E+01 volume 0.90000E-01 ppm1 9.043 ppm2 8.678 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "29 " and name "HG2 ") OR (segid " " and resid "29 " and name "HG1 ") ) 6.000 6.000 0.000 peak 4596 weight 0.10000E+01 volume 0.91000E-01 ppm1 9.346 ppm2 2.485 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "27 " and name "HA ") ) 6.000 6.000 0.000 peak 4592 weight 0.10000E+01 volume 0.11800E+00 ppm1 9.350 ppm2 5.889 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "41 " and name "HG ") OR (segid " " and resid "39 " and name "HB ") ) 5.000 5.000 0.000 peak 4589 weight 0.10000E+01 volume 0.44000E+00 ppm1 9.348 ppm2 1.683 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "28 " and name "HG1 ") ) 6.000 6.000 0.000 peak 4595 weight 0.10000E+01 volume 0.10000E+00 ppm1 9.347 ppm2 2.274 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") ) 5.000 5.000 0.000 peak 4587 weight 0.10000E+01 volume 0.70600E+00 ppm1 9.347 ppm2 0.818 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "40 " and name "HG12") ) 5.000 5.000 0.000 peak 4585 weight 0.10000E+01 volume 0.88400E+00 ppm1 9.347 ppm2 1.226 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "30 " and name "HN ") OR (segid " " and resid "28 " and name "HN ") ) 5.000 5.000 0.000 peak 4584 weight 0.10000E+01 volume 0.95900E+00 ppm1 9.349 ppm2 8.680 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "40 " and name "HG11") ) 5.000 5.000 0.000 peak 4586 weight 0.10000E+01 volume 0.80800E+00 ppm1 9.347 ppm2 1.361 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "39 " and name "HA ") ) 3.300 3.300 0.000 peak 4581 weight 0.10000E+01 volume 0.29210E+01 ppm1 9.348 ppm2 4.481 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "40 " and name "HB ") ) 5.000 5.000 0.000 peak 4583 weight 0.10000E+01 volume 0.14740E+01 ppm1 9.347 ppm2 1.966 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 3.300 3.300 0.000 peak 4582 weight 0.10000E+01 volume 0.22560E+01 ppm1 9.348 ppm2 0.702 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "29 " and name "HB1 ") OR (segid " " and resid "28 " and name "HG2 ") ) 6.000 6.000 0.000 peak 4590 weight 0.10000E+01 volume 0.26900E+00 ppm1 9.348 ppm2 2.136 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "30 " and name "HB1 ") OR (segid " " and resid "27 " and name "HB2 ") ) 6.000 6.000 0.000 peak 4593 weight 0.10000E+01 volume 0.15400E+00 ppm1 9.348 ppm2 2.800 ASSI ( (segid " " and resid "40 " and name "HN ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4594 weight 0.10000E+01 volume 0.65000E-01 ppm1 9.347 ppm2 6.702 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "49 " and name "HA ") ) 6.000 6.000 0.000 peak 2053 weight 0.10000E+01 volume 0.19000E+00 ppm1 9.417 ppm2 4.682 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "41 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4644 weight 0.10000E+01 volume 0.76200E+00 ppm1 9.415 ppm2 1.472 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "40 " and name "HG12") ) 6.000 6.000 0.000 peak 4655 weight 0.10000E+01 volume 0.14200E+00 ppm1 9.417 ppm2 1.232 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "40 " and name "HB ") ) 6.000 6.000 0.000 peak 4646 weight 0.10000E+01 volume 0.26700E+00 ppm1 9.414 ppm2 1.961 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "49 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4656 weight 0.10000E+01 volume 0.94000E-01 ppm1 9.412 ppm2 3.079 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "40 " and name "HA ") ) 3.300 3.300 0.000 peak 4638 weight 0.10000E+01 volume 0.27580E+01 ppm1 9.416 ppm2 4.907 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") ) 3.300 3.300 0.000 peak 4639 weight 0.10000E+01 volume 0.20720E+01 ppm1 9.415 ppm2 0.821 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "40 " and name "HD11") OR (segid " " and resid "39 " and name "HG22") ) 3.300 3.300 0.000 peak 4640 weight 0.10000E+01 volume 0.17370E+01 ppm1 9.415 ppm2 0.734 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB1 ") OR (segid " " and resid "48 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4648 weight 0.10000E+01 volume 0.26900E+00 ppm1 9.415 ppm2 1.034 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "41 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4641 weight 0.10000E+01 volume 0.10180E+01 ppm1 9.416 ppm2 1.820 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "42 " and name "HN ") ) 6.000 6.000 0.000 peak 4650 weight 0.10000E+01 volume 0.14100E+00 ppm1 9.414 ppm2 8.526 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "49 " and name "HB2 ") ) 6.000 6.000 0.000 peak 4647 weight 0.10000E+01 volume 0.26700E+00 ppm1 9.414 ppm2 2.543 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "49 " and name "HN ") ) 5.000 5.000 0.000 peak 4643 weight 0.10000E+01 volume 0.61800E+00 ppm1 9.414 ppm2 8.962 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "41 " and name "HG ") ) 5.000 5.000 0.000 peak 4642 weight 0.10000E+01 volume 0.91900E+00 ppm1 9.415 ppm2 1.651 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "51 " and name "HN ") ) 6.000 6.000 0.000 peak 4649 weight 0.10000E+01 volume 0.11900E+00 ppm1 9.415 ppm2 9.791 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "50 " and name "HA ") ) 5.000 5.000 0.000 peak 4645 weight 0.10000E+01 volume 0.34700E+00 ppm1 9.413 ppm2 5.096 ASSI ( (segid " " and resid "41 " and name "HN ") )( (segid " " and resid "48 " and name "HA ") ) 6.000 6.000 0.000 peak 4652 weight 0.10000E+01 volume 0.13000E+00 ppm1 9.416 ppm2 5.446 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 5329 weight 0.10000E+01 volume 0.13000E+00 ppm1 8.555 ppm2 4.665 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "48 " and name "HB1 ") OR (segid " " and resid "25 " and name "HG11") OR (segid " " and resid "24 " and name "HD13") ) 6.000 6.000 0.000 peak 5324 weight 0.10000E+01 volume 0.19800E+00 ppm1 8.552 ppm2 1.030 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "27 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5319 weight 0.10000E+01 volume 0.16600E+00 ppm1 8.553 ppm2 2.542 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "48 " and name "HA ") OR (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 5321 weight 0.10000E+01 volume 0.11600E+00 ppm1 8.553 ppm2 5.447 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "27 " and name "HA ") ) 5.000 5.000 0.000 peak 5313 weight 0.10000E+01 volume 0.40400E+00 ppm1 8.551 ppm2 5.893 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "26 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5316 weight 0.10000E+01 volume 0.18500E+00 ppm1 8.551 ppm2 3.128 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "42 " and name "HG2 ") ) 6.000 6.000 0.000 peak 5315 weight 0.10000E+01 volume 0.29500E+00 ppm1 8.551 ppm2 2.066 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "26 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5317 weight 0.10000E+01 volume 0.14300E+00 ppm1 8.548 ppm2 3.333 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "42 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5309 weight 0.10000E+01 volume 0.12420E+01 ppm1 8.553 ppm2 1.772 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "42 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5311 weight 0.10000E+01 volume 0.98700E+00 ppm1 8.552 ppm2 1.944 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "41 " and name "HA ") ) 3.300 3.300 0.000 peak 5307 weight 0.10000E+01 volume 0.25400E+01 ppm1 8.554 ppm2 4.965 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "49 " and name "HN ") OR (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 5318 weight 0.10000E+01 volume 0.19100E+00 ppm1 8.552 ppm2 8.951 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") ) 3.300 3.300 0.000 peak 5308 weight 0.10000E+01 volume 0.16350E+01 ppm1 8.553 ppm2 0.729 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "42 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5320 weight 0.10000E+01 volume 0.24400E+00 ppm1 8.554 ppm2 2.704 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "41 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5314 weight 0.10000E+01 volume 0.53200E+00 ppm1 8.553 ppm2 1.477 ASSI ( (segid " " and resid "42 " and name "HN ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 6.000 6.000 0.000 peak 5323 weight 0.10000E+01 volume 0.17400E+00 ppm1 8.553 ppm2 1.314 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "46 " and name "HN ") ) 6.000 6.000 0.000 peak 4687 weight 0.10000E+01 volume 0.20400E+00 ppm1 8.955 ppm2 8.368 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 4686 weight 0.10000E+01 volume 0.26400E+00 ppm1 8.955 ppm2 4.853 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "42 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4681 weight 0.10000E+01 volume 0.62600E+00 ppm1 8.953 ppm2 2.704 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "48 " and name "HB1 ") OR (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") ) 6.000 6.000 0.000 peak 4691 weight 0.10000E+01 volume 0.10900E+00 ppm1 8.952 ppm2 1.018 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "48 " and name "HG ") OR (segid " " and resid "47 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4688 weight 0.10000E+01 volume 0.32000E+00 ppm1 8.951 ppm2 1.561 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 3.300 3.300 0.000 peak 4675 weight 0.10000E+01 volume 0.19110E+01 ppm1 8.955 ppm2 1.339 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "42 " and name "HA ") ) 3.300 3.300 0.000 peak 4674 weight 0.10000E+01 volume 0.29740E+01 ppm1 8.954 ppm2 5.614 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "42 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4679 weight 0.10000E+01 volume 0.68300E+00 ppm1 8.952 ppm2 2.084 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "48 " and name "HD13") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "24 " and name "HD23") OR (segid " " and resid "24 " and name "HD22") OR (segid " " and resid "24 " and name "HD21") ) 5.000 5.000 0.000 peak 4685 weight 0.10000E+01 volume 0.36800E+00 ppm1 8.954 ppm2 0.792 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "42 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4684 weight 0.10000E+01 volume 0.38400E+00 ppm1 8.952 ppm2 1.942 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "47 " and name "HN ") ) 5.000 5.000 0.000 peak 4677 weight 0.10000E+01 volume 0.91000E+00 ppm1 8.953 ppm2 7.064 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") ) 5.000 5.000 0.000 peak 4678 weight 0.10000E+01 volume 0.10420E+01 ppm1 8.953 ppm2 0.680 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "47 " and name "HA ") OR (segid " " and resid "46 " and name "HA ") ) 5.000 5.000 0.000 peak 4683 weight 0.10000E+01 volume 0.36700E+00 ppm1 8.955 ppm2 4.397 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "47 " and name "HB1 ") OR (segid " " and resid "42 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4680 weight 0.10000E+01 volume 0.57800E+00 ppm1 8.953 ppm2 1.752 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "24 " and name "HA ") ) 6.000 6.000 0.000 peak 4693 weight 0.10000E+01 volume 0.11000E+00 ppm1 8.955 ppm2 4.669 ASSI ( (segid " " and resid "43 " and name "HN ") )( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") OR (segid " " and resid "46 " and name "HD2 ") OR (segid " " and resid "44 " and name "HE ") ) 6.000 6.000 0.000 peak 4690 weight 0.10000E+01 volume 0.19700E+00 ppm1 8.954 ppm2 7.199 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "26 " and name "HN ") OR (segid " " and resid "24 " and name "HN ") ) 6.000 6.000 0.000 peak 4931 weight 0.10000E+01 volume 0.10900E+00 ppm1 8.646 ppm2 7.680 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "23 " and name "HA ") ) 5.000 5.000 0.000 peak 4926 weight 0.10000E+01 volume 0.41400E+00 ppm1 8.644 ppm2 4.232 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4929 weight 0.10000E+01 volume 0.21800E+00 ppm1 8.645 ppm2 3.174 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 4923 weight 0.10000E+01 volume 0.10410E+01 ppm1 8.647 ppm2 1.345 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 3.300 3.300 0.000 peak 4920 weight 0.10000E+01 volume 0.17260E+01 ppm1 8.647 ppm2 1.566 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") ) 5.000 5.000 0.000 peak 4924 weight 0.10000E+01 volume 0.94800E+00 ppm1 8.647 ppm2 0.719 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "43 " and name "HB ") ) 3.300 3.300 0.000 peak 4918 weight 0.10000E+01 volume 0.21720E+01 ppm1 8.647 ppm2 4.851 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "24 " and name "HA ") ) 5.000 5.000 0.000 peak 4927 weight 0.10000E+01 volume 0.45000E+00 ppm1 8.648 ppm2 4.658 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4919 weight 0.10000E+01 volume 0.29060E+01 ppm1 8.647 ppm2 1.760 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "43 " and name "HA ") ) 3.300 3.300 0.000 peak 4917 weight 0.10000E+01 volume 0.20020E+01 ppm1 8.647 ppm2 5.434 ASSI ( (segid " " and resid "44 " and name "HN ") )( (segid " " and resid "45 " and name "HN ") ) 5.000 5.000 0.000 peak 4922 weight 0.10000E+01 volume 0.81100E+00 ppm1 8.647 ppm2 7.389 ASSI ( (segid " " and resid "44 " and name "HE ") )( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4996 weight 0.10000E+01 volume 0.37800E+00 ppm1 7.205 ppm2 1.570 ASSI ( (segid " " and resid "44 " and name "HE ") )( (segid " " and resid "44 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4998 weight 0.10000E+01 volume 0.22500E+00 ppm1 7.210 ppm2 1.767 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4820 weight 0.10000E+01 volume 0.54900E+00 ppm1 7.409 ppm2 1.566 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "45 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4815 weight 0.10000E+01 volume 0.12040E+01 ppm1 7.409 ppm2 2.306 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "46 " and name "HA ") ) 5.000 5.000 0.000 peak 4821 weight 0.10000E+01 volume 0.43800E+00 ppm1 7.409 ppm2 4.404 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 4823 weight 0.10000E+01 volume 0.20700E+00 ppm1 7.410 ppm2 5.435 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "43 " and name "HB ") ) 5.000 5.000 0.000 peak 4817 weight 0.10000E+01 volume 0.72700E+00 ppm1 7.409 ppm2 4.851 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD2 ") OR (segid " " and resid "44 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4827 weight 0.10000E+01 volume 0.11100E+00 ppm1 7.409 ppm2 3.169 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "45 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB2 ") ) 3.300 3.300 0.000 peak 4794 weight 0.10000E+01 volume 0.26960E+01 ppm1 7.409 ppm2 1.773 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "47 " and name "HN ") ) 5.000 5.000 0.000 peak 4819 weight 0.10000E+01 volume 0.48400E+00 ppm1 7.409 ppm2 7.067 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD11") OR (segid " " and resid "25 " and name "HG23") OR (segid " " and resid "25 " and name "HG22") OR (segid " " and resid "25 " and name "HG21") ) 6.000 6.000 0.000 peak 4824 weight 0.10000E+01 volume 0.23500E+00 ppm1 7.411 ppm2 0.713 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "44 " and name "HA ") ) 5.000 5.000 0.000 peak 4818 weight 0.10000E+01 volume 0.40700E+00 ppm1 7.409 ppm2 3.757 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "46 " and name "HN ") ) 3.300 3.300 0.000 peak 4812 weight 0.10000E+01 volume 0.16880E+01 ppm1 7.409 ppm2 8.372 ASSI ( (segid " " and resid "45 " and name "HN ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 4822 weight 0.10000E+01 volume 0.42000E+00 ppm1 7.408 ppm2 1.348 ASSI ( (segid " " and resid "45 " and name "HE21") )( (segid " " and resid "45 " and name "HE22") ) 2.700 2.700 0.000 peak 8832 weight 0.10000E+01 volume 0.92260E+01 ppm1 7.585 ppm2 6.726 ASSI ( (segid " " and resid "45 " and name "HE22") )( (segid " " and resid "45 " and name "HG2 ") OR (segid " " and resid "45 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8796 weight 0.10000E+01 volume 0.92000E-01 ppm1 6.743 ppm2 2.356 ASSI ( (segid " " and resid "45 " and name "HE22") )( (segid " " and resid "45 " and name "HB2 ") ) 6.000 6.000 0.000 peak 8795 weight 0.10000E+01 volume 0.10700E+00 ppm1 6.742 ppm2 1.759 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 5369 weight 0.10000E+01 volume 0.14100E+00 ppm1 8.394 ppm2 4.851 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "42 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5362 weight 0.10000E+01 volume 0.35000E+00 ppm1 8.390 ppm2 2.707 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "42 " and name "HG2 ") ) 5.000 5.000 0.000 peak 5361 weight 0.10000E+01 volume 0.34900E+00 ppm1 8.395 ppm2 2.085 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "46 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5357 weight 0.10000E+01 volume 0.43900E+00 ppm1 8.393 ppm2 3.593 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "44 " and name "HA ") ) 5.000 5.000 0.000 peak 5359 weight 0.10000E+01 volume 0.37100E+00 ppm1 8.394 ppm2 3.755 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "45 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5365 weight 0.10000E+01 volume 0.30200E+00 ppm1 8.395 ppm2 2.309 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "48 " and name "HG ") OR (segid " " and resid "44 " and name "HG2 ") OR (segid " " and resid "44 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5366 weight 0.10000E+01 volume 0.23100E+00 ppm1 8.393 ppm2 1.558 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "25 " and name "HD13") OR (segid " " and resid "25 " and name "HD12") OR (segid " " and resid "25 " and name "HD11") ) 5.000 5.000 0.000 peak 5358 weight 0.10000E+01 volume 0.49800E+00 ppm1 8.394 ppm2 0.694 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "45 " and name "HB2 ") OR (segid " " and resid "44 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5356 weight 0.10000E+01 volume 0.70700E+00 ppm1 8.393 ppm2 1.769 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "46 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5355 weight 0.10000E+01 volume 0.62900E+00 ppm1 8.395 ppm2 3.316 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 6.000 6.000 0.000 peak 5364 weight 0.10000E+01 volume 0.17400E+00 ppm1 8.393 ppm2 1.355 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "47 " and name "HN ") ) 3.300 3.300 0.000 peak 5353 weight 0.10000E+01 volume 0.16630E+01 ppm1 8.394 ppm2 7.054 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "46 " and name "HD2 ") ) 6.000 6.000 0.000 peak 5367 weight 0.10000E+01 volume 0.17500E+00 ppm1 8.393 ppm2 7.177 ASSI ( (segid " " and resid "46 " and name "HN ") )( (segid " " and resid "45 " and name "HA ") ) 5.000 5.000 0.000 peak 5354 weight 0.10000E+01 volume 0.76700E+00 ppm1 8.389 ppm2 4.253 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "42 " and name "HG1 ") ) 6.000 6.000 0.000 peak 4987 weight 0.10000E+01 volume 0.14400E+00 ppm1 7.077 ppm2 2.706 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4979 weight 0.10000E+01 volume 0.18400E+00 ppm1 7.078 ppm2 3.150 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") ) 6.000 6.000 0.000 peak 4980 weight 0.10000E+01 volume 0.22600E+00 ppm1 7.079 ppm2 0.695 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "47 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4973 weight 0.10000E+01 volume 0.12900E+01 ppm1 7.079 ppm2 1.564 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "45 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4988 weight 0.10000E+01 volume 0.19500E+00 ppm1 7.073 ppm2 2.311 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "47 " and name "HG2 ") OR (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 4975 weight 0.10000E+01 volume 0.10280E+01 ppm1 7.078 ppm2 1.360 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "47 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4972 weight 0.10000E+01 volume 0.17700E+01 ppm1 7.078 ppm2 1.717 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "45 " and name "HA ") ) 6.000 6.000 0.000 peak 4985 weight 0.10000E+01 volume 0.15000E+00 ppm1 7.078 ppm2 4.253 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "43 " and name "HB ") ) 6.000 6.000 0.000 peak 4983 weight 0.10000E+01 volume 0.19200E+00 ppm1 7.076 ppm2 4.852 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "46 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4982 weight 0.10000E+01 volume 0.20100E+00 ppm1 7.080 ppm2 3.314 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "46 " and name "HB2 ") ) 6.000 6.000 0.000 peak 4981 weight 0.10000E+01 volume 0.15000E+00 ppm1 7.080 ppm2 3.592 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "48 " and name "HA ") OR (segid " " and resid "43 " and name "HA ") ) 6.000 6.000 0.000 peak 4984 weight 0.10000E+01 volume 0.12400E+00 ppm1 7.079 ppm2 5.441 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "42 " and name "HA ") ) 6.000 6.000 0.000 peak 4986 weight 0.10000E+01 volume 0.17300E+00 ppm1 7.080 ppm2 5.608 ASSI ( (segid " " and resid "47 " and name "HN ") )( (segid " " and resid "42 " and name "HG2 ") ) 6.000 6.000 0.000 peak 4989 weight 0.10000E+01 volume 0.19900E+00 ppm1 7.078 ppm2 2.077 ASSI ( (segid " " and resid "47 " and name "HE ") )( (segid " " and resid "47 " and name "HG1 ") OR (segid " " and resid "47 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5619 weight 0.10000E+01 volume 0.13000E+00 ppm1 7.082 ppm2 1.563 ASSI ( (segid " " and resid "47 " and name "HE ") )( (segid " " and resid "47 " and name "HG2 ") OR (segid " " and resid "43 " and name "HG22") ) 6.000 6.000 0.000 peak 5620 weight 0.10000E+01 volume 0.92000E-01 ppm1 7.083 ppm2 1.381 ASSI ( (segid " " and resid "48 " and name "HN ") )( (segid " " and resid "47 " and name "HG2 ") ) 5.000 5.000 0.000 peak 5457 weight 0.10000E+01 volume 0.43700E+00 ppm1 7.854 ppm2 1.380 ASSI ( (segid " " and resid "48 " and name "HN ") )( (segid " " and resid "47 " and name "HD2 ") OR (segid " " and resid "47 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5461 weight 0.10000E+01 volume 0.17000E+00 ppm1 7.855 ppm2 3.150 ASSI ( (segid " " and resid "48 " and name "HN ") )( (segid " " and resid "47 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5456 weight 0.10000E+01 volume 0.82500E+00 ppm1 7.854 ppm2 1.691 ASSI ( (segid " " and resid "48 " and name "HN ") )( (segid " " and resid "47 " and name "HN ") ) 5.000 5.000 0.000 peak 5458 weight 0.10000E+01 volume 0.32800E+00 ppm1 7.853 ppm2 7.068 ASSI ( (segid " " and resid "48 " and name "HN ") )( (segid " " and resid "49 " and name "HE2 ") OR (segid " " and resid "49 " and name "HE1 ") ) 6.000 6.000 0.000 peak 5462 weight 0.10000E+01 volume 0.11500E+00 ppm1 7.856 ppm2 7.189 ASSI ( (segid " " and resid "48 " and name "HN ") )( (segid " " and resid "48 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5454 weight 0.10000E+01 volume 0.69100E+00 ppm1 7.854 ppm2 1.009 ASSI ( (segid " " and resid "48 " and name "HN ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") OR (segid " " and resid "48 " and name "HD12") OR (segid " " and resid "48 " and name "HD11") ) 5.000 5.000 0.000 peak 5453 weight 0.10000E+01 volume 0.11310E+01 ppm1 7.854 ppm2 0.704 ASSI ( (segid " " and resid "48 " and name "HN ") )( (segid " " and resid "47 " and name "HA ") ) 2.700 2.700 0.000 peak 5451 weight 0.10000E+01 volume 0.39050E+01 ppm1 7.855 ppm2 4.396 ASSI ( (segid " " and resid "48 " and name "HN ") )( (segid " " and resid "48 " and name "HG ") OR (segid " " and resid "48 " and name "HB2 ") ) 2.700 2.700 0.000 peak 5452 weight 0.10000E+01 volume 0.34910E+01 ppm1 7.855 ppm2 1.556 ASSI ( (segid " " and resid "48 " and name "HN ") )( (segid " " and resid "49 " and name "HN ") OR (segid " " and resid "43 " and name "HN ") ) 6.000 6.000 0.000 peak 5460 weight 0.10000E+01 volume 0.21800E+00 ppm1 7.854 ppm2 8.945 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "47 " and name "HG2 ") OR (segid " " and resid "43 " and name "HG23") OR (segid " " and resid "43 " and name "HG22") OR (segid " " and resid "43 " and name "HG21") ) 5.000 5.000 0.000 peak 4808 weight 0.10000E+01 volume 0.33500E+00 ppm1 8.977 ppm2 1.366 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "41 " and name "HB2 ") ) 6.000 6.000 0.000 peak 4807 weight 0.10000E+01 volume 0.23700E+00 ppm1 8.977 ppm2 1.802 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "48 " and name "HN ") ) 6.000 6.000 0.000 peak 4806 weight 0.10000E+01 volume 0.16000E+00 ppm1 8.977 ppm2 7.838 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "48 " and name "HD23") OR (segid " " and resid "48 " and name "HD22") OR (segid " " and resid "48 " and name "HD21") ) 5.000 5.000 0.000 peak 4796 weight 0.10000E+01 volume 0.12350E+01 ppm1 8.978 ppm2 0.691 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "40 " and name "HG23") OR (segid " " and resid "40 " and name "HG22") OR (segid " " and resid "40 " and name "HG21") ) 5.000 5.000 0.000 peak 4797 weight 0.10000E+01 volume 0.10200E+01 ppm1 8.978 ppm2 0.812 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "48 " and name "HG ") OR (segid " " and resid "48 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4803 weight 0.10000E+01 volume 0.75900E+00 ppm1 8.976 ppm2 1.548 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "49 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4798 weight 0.10000E+01 volume 0.84700E+00 ppm1 8.977 ppm2 2.546 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "49 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4804 weight 0.10000E+01 volume 0.52900E+00 ppm1 8.977 ppm2 3.091 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "48 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4800 weight 0.10000E+01 volume 0.72200E+00 ppm1 8.976 ppm2 1.010 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "48 " and name "HA ") ) 3.300 3.300 0.000 peak 4795 weight 0.10000E+01 volume 0.28400E+01 ppm1 8.977 ppm2 5.456 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4801 weight 0.10000E+01 volume 0.72700E+00 ppm1 8.976 ppm2 7.121 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "40 " and name "HA ") ) 6.000 6.000 0.000 peak 4809 weight 0.10000E+01 volume 0.24200E+00 ppm1 8.978 ppm2 4.903 ASSI ( (segid " " and resid "49 " and name "HN ") )( (segid " " and resid "19 " and name "HD13") OR (segid " " and resid "19 " and name "HD12") OR (segid " " and resid "19 " and name "HD11") ) 6.000 6.000 0.000 peak 4811 weight 0.10000E+01 volume 0.69000E-01 ppm1 8.978 ppm2 0.228 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4968 weight 0.10000E+01 volume 0.67000E-01 ppm1 9.219 ppm2 1.055 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 5.000 5.000 0.000 peak 4961 weight 0.10000E+01 volume 0.50500E+00 ppm1 9.220 ppm2 1.380 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "50 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4956 weight 0.10000E+01 volume 0.13690E+01 ppm1 9.220 ppm2 3.710 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "49 " and name "HD2 ") OR (segid " " and resid "49 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4963 weight 0.10000E+01 volume 0.37100E+00 ppm1 9.220 ppm2 7.120 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "50 " and name "HB1 ") OR (segid " " and resid "49 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4957 weight 0.10000E+01 volume 0.14930E+01 ppm1 9.220 ppm2 2.525 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "49 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4958 weight 0.10000E+01 volume 0.95800E+00 ppm1 9.220 ppm2 3.086 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "49 " and name "HA ") ) 3.300 3.300 0.000 peak 4955 weight 0.10000E+01 volume 0.27320E+01 ppm1 9.220 ppm2 4.681 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD11") OR (segid " " and resid "10 " and name "HD13") OR (segid " " and resid "10 " and name "HD12") OR (segid " " and resid "10 " and name "HD11") ) 5.000 5.000 0.000 peak 4960 weight 0.10000E+01 volume 0.65000E+00 ppm1 9.220 ppm2 0.730 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "16 " and name "HB ") ) 6.000 6.000 0.000 peak 4964 weight 0.10000E+01 volume 0.26500E+00 ppm1 9.220 ppm2 4.281 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "51 " and name "HA ") OR (segid " " and resid "15 " and name "HA ") ) 5.000 5.000 0.000 peak 4962 weight 0.10000E+01 volume 0.55100E+00 ppm1 9.219 ppm2 4.852 ASSI ( (segid " " and resid "50 " and name "HN ") )( (segid " " and resid "51 " and name "HN ") ) 6.000 6.000 0.000 peak 4967 weight 0.10000E+01 volume 0.14700E+00 ppm1 9.223 ppm2 9.797 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "49 " and name "HA ") OR (segid " " and resid "38 " and name "HA ") ) 6.000 6.000 0.000 peak 4610 weight 0.10000E+01 volume 0.14400E+00 ppm1 9.813 ppm2 4.648 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 4614 weight 0.10000E+01 volume 0.59000E-01 ppm1 9.816 ppm2 0.205 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") OR (segid " " and resid "16 " and name "HG23") ) 5.000 5.000 0.000 peak 4600 weight 0.10000E+01 volume 0.12650E+01 ppm1 9.813 ppm2 1.360 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 6.000 6.000 0.000 peak 4626 weight 0.10000E+01 volume 0.11800E+00 ppm1 9.816 ppm2 1.919 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "50 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4605 weight 0.10000E+01 volume 0.30000E+00 ppm1 9.812 ppm2 3.711 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "52 " and name "HN ") ) 6.000 6.000 0.000 peak 4608 weight 0.10000E+01 volume 0.12900E+00 ppm1 9.812 ppm2 8.671 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4599 weight 0.10000E+01 volume 0.15500E+01 ppm1 9.813 ppm2 1.066 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "50 " and name "HA ") ) 3.300 3.300 0.000 peak 4598 weight 0.10000E+01 volume 0.25690E+01 ppm1 9.813 ppm2 5.100 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "41 " and name "HD13") OR (segid " " and resid "41 " and name "HD12") OR (segid " " and resid "41 " and name "HD11") ) 6.000 6.000 0.000 peak 4609 weight 0.10000E+01 volume 0.24700E+00 ppm1 9.816 ppm2 0.839 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "41 " and name "HN ") OR (segid " " and resid "40 " and name "HN ") ) 6.000 6.000 0.000 peak 4607 weight 0.10000E+01 volume 0.14500E+00 ppm1 9.812 ppm2 9.392 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "40 " and name "HD13") OR (segid " " and resid "40 " and name "HD12") OR (segid " " and resid "39 " and name "HG23") OR (segid " " and resid "39 " and name "HG22") OR (segid " " and resid "39 " and name "HG21") ) 5.000 5.000 0.000 peak 4603 weight 0.10000E+01 volume 0.53000E+00 ppm1 9.816 ppm2 0.722 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "41 " and name "HG ") OR (segid " " and resid "39 " and name "HB ") ) 5.000 5.000 0.000 peak 4606 weight 0.10000E+01 volume 0.37700E+00 ppm1 9.813 ppm2 1.683 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "50 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4604 weight 0.10000E+01 volume 0.54000E+00 ppm1 9.813 ppm2 2.507 ASSI ( (segid " " and resid "51 " and name "HN ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 4612 weight 0.10000E+01 volume 0.48000E-01 ppm1 9.818 ppm2 -0.857 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "53 " and name "HD2 ") OR (segid " " and resid "53 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5238 weight 0.10000E+01 volume 0.20800E+00 ppm1 8.685 ppm2 4.041 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "55 " and name "HG2 ") OR (segid " " and resid "15 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5233 weight 0.10000E+01 volume 0.53000E+00 ppm1 8.683 ppm2 2.257 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "57 " and name "HZ2 ") ) 6.000 6.000 0.000 peak 5244 weight 0.10000E+01 volume 0.82000E-01 ppm1 8.684 ppm2 7.310 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "15 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5234 weight 0.10000E+01 volume 0.22500E+00 ppm1 8.680 ppm2 2.866 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "55 " and name "HN ") ) 6.000 6.000 0.000 peak 5243 weight 0.10000E+01 volume 0.95000E-01 ppm1 8.685 ppm2 7.550 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "15 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5236 weight 0.10000E+01 volume 0.27200E+00 ppm1 8.683 ppm2 2.131 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5228 weight 0.10000E+01 volume 0.12400E+01 ppm1 8.684 ppm2 1.066 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "51 " and name "HA ") ) 3.300 3.300 0.000 peak 5227 weight 0.10000E+01 volume 0.25170E+01 ppm1 8.684 ppm2 4.827 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 5239 weight 0.10000E+01 volume 0.12200E+00 ppm1 8.683 ppm2 0.203 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "38 " and name "HB3 ") OR (segid " " and resid "38 " and name "HB2 ") OR (segid " " and resid "38 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5232 weight 0.10000E+01 volume 0.27700E+00 ppm1 8.684 ppm2 1.382 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "55 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5241 weight 0.10000E+01 volume 0.12000E+00 ppm1 8.684 ppm2 1.749 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "15 " and name "HE3 ") OR (segid " " and resid "15 " and name "HE2 ") OR (segid " " and resid "15 " and name "HE1 ") ) 6.000 6.000 0.000 peak 5237 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.683 ppm2 1.918 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "52 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5230 weight 0.10000E+01 volume 0.14320E+01 ppm1 8.685 ppm2 3.042 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "55 " and name "HG1 ") OR (segid " " and resid "52 " and name "HB2 ") ) 3.300 3.300 0.000 peak 5229 weight 0.10000E+01 volume 0.15570E+01 ppm1 8.684 ppm2 2.435 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "39 " and name "HN ") OR (segid " " and resid "16 " and name "HN ") ) 6.000 6.000 0.000 peak 5235 weight 0.10000E+01 volume 0.20600E+00 ppm1 8.684 ppm2 9.029 ASSI ( (segid " " and resid "52 " and name "HN ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 5.000 5.000 0.000 peak 5231 weight 0.10000E+01 volume 0.55400E+00 ppm1 8.683 ppm2 -0.857 ASSI ( (segid " " and resid "54 " and name "HN ") )( (segid " " and resid "52 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4756 weight 0.10000E+01 volume 0.13100E+00 ppm1 8.201 ppm2 3.040 ASSI ( (segid " " and resid "54 " and name "HN ") )( (segid " " and resid "55 " and name "HG1 ") OR (segid " " and resid "52 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4751 weight 0.10000E+01 volume 0.30600E+00 ppm1 8.202 ppm2 2.438 ASSI ( (segid " " and resid "54 " and name "HN ") )( (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") ) 3.300 3.300 0.000 peak 4749 weight 0.10000E+01 volume 0.17490E+01 ppm1 8.203 ppm2 1.324 ASSI ( (segid " " and resid "54 " and name "HN ") )( (segid " " and resid "54 " and name "HB2 ") OR (segid " " and resid "54 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4748 weight 0.10000E+01 volume 0.27010E+01 ppm1 8.203 ppm2 1.723 ASSI ( (segid " " and resid "54 " and name "HN ") )( (segid " " and resid "53 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4752 weight 0.10000E+01 volume 0.41600E+00 ppm1 8.205 ppm2 1.978 ASSI ( (segid " " and resid "54 " and name "HN ") )( (segid " " and resid "55 " and name "HG2 ") ) 6.000 6.000 0.000 peak 4755 weight 0.10000E+01 volume 0.14600E+00 ppm1 8.205 ppm2 2.227 ASSI ( (segid " " and resid "54 " and name "HN ") )( (segid " " and resid "55 " and name "HN ") ) 3.300 3.300 0.000 peak 4747 weight 0.10000E+01 volume 0.25070E+01 ppm1 8.204 ppm2 7.547 ASSI ( (segid " " and resid "54 " and name "HN ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 4759 weight 0.10000E+01 volume 0.64000E-01 ppm1 8.206 ppm2 -0.859 ASSI ( (segid " " and resid "54 " and name "HN ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 4757 weight 0.10000E+01 volume 0.96000E-01 ppm1 8.203 ppm2 0.203 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 5039 weight 0.10000E+01 volume 0.17200E+00 ppm1 7.566 ppm2 6.154 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "55 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5030 weight 0.10000E+01 volume 0.11320E+01 ppm1 7.567 ppm2 2.437 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 5.000 5.000 0.000 peak 5034 weight 0.10000E+01 volume 0.50700E+00 ppm1 7.567 ppm2 -0.857 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "59 " and name "HG1 ") OR (segid " " and resid "54 " and name "HG2 ") OR (segid " " and resid "54 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5036 weight 0.10000E+01 volume 0.37600E+00 ppm1 7.568 ppm2 1.331 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 5040 weight 0.10000E+01 volume 0.19700E+00 ppm1 7.566 ppm2 0.202 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "55 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5031 weight 0.10000E+01 volume 0.13390E+01 ppm1 7.567 ppm2 1.959 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "54 " and name "HA ") ) 5.000 5.000 0.000 peak 5035 weight 0.10000E+01 volume 0.66600E+00 ppm1 7.568 ppm2 3.964 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "55 " and name "HG2 ") ) 5.000 5.000 0.000 peak 5033 weight 0.10000E+01 volume 0.91600E+00 ppm1 7.567 ppm2 2.228 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "52 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5038 weight 0.10000E+01 volume 0.30600E+00 ppm1 7.565 ppm2 3.041 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "55 " and name "HB2 ") OR (segid " " and resid "54 " and name "HB2 ") ) 3.300 3.300 0.000 peak 5029 weight 0.10000E+01 volume 0.28040E+01 ppm1 7.567 ppm2 1.767 ASSI ( (segid " " and resid "55 " and name "HN ") )( (segid " " and resid "56 " and name "HN ") ) 5.000 5.000 0.000 peak 5037 weight 0.10000E+01 volume 0.37400E+00 ppm1 7.566 ppm2 9.002 ASSI ( (segid " " and resid "56 " and name "HN ") )( (segid " " and resid "55 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4621 weight 0.10000E+01 volume 0.45300E+00 ppm1 9.025 ppm2 1.768 ASSI ( (segid " " and resid "56 " and name "HN ") )( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4619 weight 0.10000E+01 volume 0.10570E+01 ppm1 9.023 ppm2 2.394 ASSI ( (segid " " and resid "56 " and name "HN ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 4623 weight 0.10000E+01 volume 0.75000E-01 ppm1 9.029 ppm2 6.153 ASSI ( (segid " " and resid "56 " and name "HN ") )( (segid " " and resid "55 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4620 weight 0.10000E+01 volume 0.50500E+00 ppm1 9.026 ppm2 1.954 ASSI ( (segid " " and resid "56 " and name "HN ") )( (segid " " and resid "56 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4618 weight 0.10000E+01 volume 0.11800E+01 ppm1 9.025 ppm2 2.120 ASSI ( (segid " " and resid "56 " and name "HN ") )( (segid " " and resid "56 " and name "HB2 ") ) 3.300 3.300 0.000 peak 4616 weight 0.10000E+01 volume 0.19280E+01 ppm1 9.025 ppm2 2.246 ASSI ( (segid " " and resid "56 " and name "HN ") )( (segid " " and resid "55 " and name "HA ") ) 2.700 2.700 0.000 peak 4615 weight 0.10000E+01 volume 0.33210E+01 ppm1 9.025 ppm2 4.133 ASSI ( (segid " " and resid "56 " and name "HN ") )( (segid " " and resid "59 " and name "HD2 ") OR (segid " " and resid "59 " and name "HG1 ") ) 6.000 6.000 0.000 peak 4625 weight 0.10000E+01 volume 0.77000E-01 ppm1 9.026 ppm2 1.359 ASSI ( (segid " " and resid "56 " and name "HE21") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 2431 weight 0.10000E+01 volume 0.32900E+00 ppm1 7.935 ppm2 3.592 ASSI ( (segid " " and resid "56 " and name "HE21") )( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") ) 3.300 3.300 0.000 peak 2363 weight 0.10000E+01 volume 0.21750E+01 ppm1 7.936 ppm2 2.380 ASSI ( (segid " " and resid "56 " and name "HE21") )( (segid " " and resid "60 " and name "HN ") ) 6.000 6.000 0.000 peak 3395 weight 0.10000E+01 volume 0.15700E+00 ppm1 7.937 ppm2 8.679 ASSI ( (segid " " and resid "56 " and name "HE21") )( (segid " " and resid "56 " and name "HE22") ) 2.700 2.700 0.000 peak 2078 weight 0.10000E+01 volume 0.94260E+01 ppm1 7.936 ppm2 6.941 ASSI ( (segid " " and resid "56 " and name "HE21") )( (segid " " and resid "59 " and name "HD2 ") OR (segid " " and resid "59 " and name "HG1 ") ) 6.000 6.000 0.000 peak 2468 weight 0.10000E+01 volume 0.19600E+00 ppm1 7.936 ppm2 1.378 ASSI ( (segid " " and resid "56 " and name "HE21") )( (segid " " and resid "59 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4692 weight 0.10000E+01 volume 0.80000E-01 ppm1 7.936 ppm2 1.544 ASSI ( (segid " " and resid "56 " and name "HE21") )( (segid " " and resid "56 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4634 weight 0.10000E+01 volume 0.26200E+00 ppm1 7.938 ppm2 2.110 ASSI ( (segid " " and resid "56 " and name "HE21") )( (segid " " and resid "59 " and name "HB2 ") OR (segid " " and resid "59 " and name "HB1 ") ) 5.000 5.000 0.000 peak 2433 weight 0.10000E+01 volume 0.43000E+00 ppm1 7.936 ppm2 1.741 ASSI ( (segid " " and resid "56 " and name "HE22") )( (segid " " and resid "59 " and name "HD1 ") ) 6.000 6.000 0.000 peak 8679 weight 0.10000E+01 volume 0.14800E+00 ppm1 6.958 ppm2 1.535 ASSI ( (segid " " and resid "56 " and name "HE22") )( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8669 weight 0.10000E+01 volume 0.12900E+01 ppm1 6.958 ppm2 2.380 ASSI ( (segid " " and resid "56 " and name "HE22") )( (segid " " and resid "56 " and name "HA ") ) 6.000 6.000 0.000 peak 8670 weight 0.10000E+01 volume 0.21500E+00 ppm1 6.957 ppm2 3.593 ASSI ( (segid " " and resid "56 " and name "HE22") )( (segid " " and resid "60 " and name "HN ") ) 6.000 6.000 0.000 peak 8675 weight 0.10000E+01 volume 0.12500E+00 ppm1 6.957 ppm2 8.677 ASSI ( (segid " " and resid "56 " and name "HE22") )( (segid " " and resid "59 " and name "HB2 ") OR (segid " " and resid "59 " and name "HB1 ") ) 5.000 5.000 0.000 peak 8671 weight 0.10000E+01 volume 0.45000E+00 ppm1 6.959 ppm2 1.741 ASSI ( (segid " " and resid "56 " and name "HE22") )( (segid " " and resid "56 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8678 weight 0.10000E+01 volume 0.16100E+00 ppm1 6.960 ppm2 2.112 ASSI ( (segid " " and resid "56 " and name "HE22") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "59 " and name "HD2 ") OR (segid " " and resid "59 " and name "HG1 ") ) 6.000 6.000 0.000 peak 8672 weight 0.10000E+01 volume 0.25500E+00 ppm1 6.959 ppm2 1.379 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "55 " and name "HA ") ) 6.000 6.000 0.000 peak 4670 weight 0.10000E+01 volume 0.27500E+00 ppm1 8.963 ppm2 4.131 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 4666 weight 0.10000E+01 volume 0.59300E+00 ppm1 8.963 ppm2 3.586 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "57 " and name "HE1 ") ) 6.000 6.000 0.000 peak 4672 weight 0.10000E+01 volume 0.18500E+00 ppm1 8.964 ppm2 10.292 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "57 " and name "HD1 ") ) 5.000 5.000 0.000 peak 4659 weight 0.10000E+01 volume 0.14900E+01 ppm1 8.963 ppm2 7.606 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "56 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4663 weight 0.10000E+01 volume 0.81200E+00 ppm1 8.963 ppm2 2.245 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 4669 weight 0.10000E+01 volume 0.23600E+00 ppm1 8.964 ppm2 -0.856 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "56 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4662 weight 0.10000E+01 volume 0.94700E+00 ppm1 8.963 ppm2 2.117 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "57 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4657 weight 0.10000E+01 volume 0.16220E+01 ppm1 8.963 ppm2 3.199 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "57 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4661 weight 0.10000E+01 volume 0.10930E+01 ppm1 8.963 ppm2 3.489 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "59 " and name "HN ") ) 6.000 6.000 0.000 peak 4667 weight 0.10000E+01 volume 0.27900E+00 ppm1 8.964 ppm2 7.288 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "55 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4668 weight 0.10000E+01 volume 0.51700E+00 ppm1 8.963 ppm2 1.762 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "55 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4664 weight 0.10000E+01 volume 0.56800E+00 ppm1 8.962 ppm2 1.951 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "60 " and name "HB1 ") OR (segid " " and resid "18 " and name "HE2 ") OR (segid " " and resid "18 " and name "HE1 ") ) 6.000 6.000 0.000 peak 4673 weight 0.10000E+01 volume 0.19800E+00 ppm1 8.962 ppm2 2.704 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4665 weight 0.10000E+01 volume 0.65400E+00 ppm1 8.962 ppm2 2.394 ASSI ( (segid " " and resid "57 " and name "HN ") )( (segid " " and resid "58 " and name "HN ") ) 5.000 5.000 0.000 peak 4660 weight 0.10000E+01 volume 0.10100E+01 ppm1 8.963 ppm2 6.155 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "16 " and name "HG23") OR (segid " " and resid "16 " and name "HG22") OR (segid " " and resid "16 " and name "HG21") ) 6.000 6.000 0.000 peak 4775 weight 0.10000E+01 volume 0.14800E+00 ppm1 10.308 ppm2 1.393 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "55 " and name "HG2 ") ) 6.000 6.000 0.000 peak 4773 weight 0.10000E+01 volume 0.15500E+00 ppm1 10.305 ppm2 2.231 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "55 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4764 weight 0.10000E+01 volume 0.30800E+00 ppm1 10.308 ppm2 2.438 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "18 " and name "HG1 ") OR (segid " " and resid "18 " and name "HB2 ") ) 6.000 6.000 0.000 peak 4772 weight 0.10000E+01 volume 0.15300E+00 ppm1 10.306 ppm2 0.409 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "57 " and name "HZ2 ") ) 5.000 5.000 0.000 peak 4762 weight 0.10000E+01 volume 0.13730E+01 ppm1 10.309 ppm2 7.309 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "55 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4766 weight 0.10000E+01 volume 0.37900E+00 ppm1 10.310 ppm2 1.771 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "55 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4765 weight 0.10000E+01 volume 0.45400E+00 ppm1 10.308 ppm2 1.957 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 5.000 5.000 0.000 peak 4763 weight 0.10000E+01 volume 0.50700E+00 ppm1 10.308 ppm2 -0.857 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "18 " and name "HA ") ) 6.000 6.000 0.000 peak 4774 weight 0.10000E+01 volume 0.16900E+00 ppm1 10.308 ppm2 0.654 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "17 " and name "HA ") ) 6.000 6.000 0.000 peak 4769 weight 0.10000E+01 volume 0.22300E+00 ppm1 10.307 ppm2 4.536 ASSI ( (segid " " and resid "57 " and name "HE1 ") )( (segid " " and resid "57 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4771 weight 0.10000E+01 volume 0.12400E+00 ppm1 10.306 ppm2 3.204 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "57 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5632 weight 0.10000E+01 volume 0.12500E+00 ppm1 6.177 ppm2 3.202 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "59 " and name "HA ") ) 6.000 6.000 0.000 peak 5637 weight 0.10000E+01 volume 0.68000E-01 ppm1 6.176 ppm2 3.782 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") OR (segid " " and resid "55 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5636 weight 0.10000E+01 volume 0.12200E+00 ppm1 6.180 ppm2 2.430 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "55 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5628 weight 0.10000E+01 volume 0.45100E+00 ppm1 6.177 ppm2 1.956 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "56 " and name "HA ") ) 6.000 6.000 0.000 peak 5633 weight 0.10000E+01 volume 0.16000E+00 ppm1 6.177 ppm2 3.573 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "57 " and name "HA ") ) 6.000 6.000 0.000 peak 5623 weight 0.10000E+01 volume 0.24100E+00 ppm1 6.177 ppm2 4.441 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "51 " and name "HB3 ") OR (segid " " and resid "51 " and name "HB2 ") OR (segid " " and resid "51 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5638 weight 0.10000E+01 volume 0.80000E-01 ppm1 6.181 ppm2 1.063 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 3.300 3.300 0.000 peak 5613 weight 0.10000E+01 volume 0.18540E+01 ppm1 6.179 ppm2 -0.857 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "57 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5639 weight 0.10000E+01 volume 0.14300E+00 ppm1 6.177 ppm2 3.499 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "56 " and name "HB2 ") OR (segid " " and resid "55 " and name "HG2 ") ) 6.000 6.000 0.000 peak 5634 weight 0.10000E+01 volume 0.99000E-01 ppm1 6.177 ppm2 2.225 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 5621 weight 0.10000E+01 volume 0.50800E+00 ppm1 6.177 ppm2 0.198 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "58 " and name "HB ") ) 3.300 3.300 0.000 peak 5617 weight 0.10000E+01 volume 0.22170E+01 ppm1 6.180 ppm2 1.702 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "57 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5631 weight 0.10000E+01 volume 0.23000E+00 ppm1 6.177 ppm2 7.577 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "59 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5629 weight 0.10000E+01 volume 0.30700E+00 ppm1 6.179 ppm2 1.377 ASSI ( (segid " " and resid "58 " and name "HN ") )( (segid " " and resid "59 " and name "HN ") ) 3.300 3.300 0.000 peak 5615 weight 0.10000E+01 volume 0.15030E+01 ppm1 6.179 ppm2 7.280 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "59 " and name "HE2 ") OR (segid " " and resid "59 " and name "HE1 ") ) 6.000 6.000 0.000 peak 5600 weight 0.10000E+01 volume 0.21100E+00 ppm1 7.294 ppm2 2.769 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "57 " and name "HA ") ) 6.000 6.000 0.000 peak 5606 weight 0.10000E+01 volume 0.85000E-01 ppm1 7.296 ppm2 4.443 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "59 " and name "HD1 ") ) 5.000 5.000 0.000 peak 5596 weight 0.10000E+01 volume 0.47800E+00 ppm1 7.295 ppm2 1.524 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "55 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5603 weight 0.10000E+01 volume 0.18900E+00 ppm1 7.294 ppm2 1.971 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "58 " and name "HA ") ) 5.000 5.000 0.000 peak 5597 weight 0.10000E+01 volume 0.35800E+00 ppm1 7.294 ppm2 2.547 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "56 " and name "HA ") ) 5.000 5.000 0.000 peak 5595 weight 0.10000E+01 volume 0.61000E+00 ppm1 7.295 ppm2 3.588 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "59 " and name "HG2 ") ) 5.000 5.000 0.000 peak 5592 weight 0.10000E+01 volume 0.86300E+00 ppm1 7.294 ppm2 1.176 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "59 " and name "HG1 ") ) 3.300 3.300 0.000 peak 5589 weight 0.10000E+01 volume 0.21120E+01 ppm1 7.295 ppm2 1.372 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "59 " and name "HB2 ") OR (segid " " and resid "58 " and name "HB ") ) 2.700 2.700 0.000 peak 5587 weight 0.10000E+01 volume 0.36000E+01 ppm1 7.295 ppm2 1.717 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 5.000 5.000 0.000 peak 5593 weight 0.10000E+01 volume 0.52100E+00 ppm1 7.295 ppm2 -0.857 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 5.000 5.000 0.000 peak 5594 weight 0.10000E+01 volume 0.51700E+00 ppm1 7.295 ppm2 0.200 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "53 " and name "HA ") ) 6.000 6.000 0.000 peak 5601 weight 0.10000E+01 volume 0.13600E+00 ppm1 7.295 ppm2 3.919 ASSI ( (segid " " and resid "59 " and name "HN ") )( (segid " " and resid "60 " and name "HA ") ) 6.000 6.000 0.000 peak 5605 weight 0.10000E+01 volume 0.68000E-01 ppm1 7.295 ppm2 4.284 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") OR (segid " " and resid "56 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4950 weight 0.10000E+01 volume 0.10900E+00 ppm1 8.703 ppm2 2.121 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "56 " and name "HG2 ") OR (segid " " and resid "56 " and name "HG1 ") ) 6.000 6.000 0.000 peak 4947 weight 0.10000E+01 volume 0.17400E+00 ppm1 8.703 ppm2 2.358 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "59 " and name "HA ") ) 5.000 5.000 0.000 peak 4940 weight 0.10000E+01 volume 0.55300E+00 ppm1 8.702 ppm2 3.777 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "61 " and name "HA ") ) 6.000 6.000 0.000 peak 4954 weight 0.10000E+01 volume 0.99000E-01 ppm1 8.703 ppm2 3.983 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "59 " and name "HG2 ") ) 6.000 6.000 0.000 peak 4944 weight 0.10000E+01 volume 0.20700E+00 ppm1 8.701 ppm2 1.176 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "59 " and name "HB2 ") OR (segid " " and resid "59 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4937 weight 0.10000E+01 volume 0.23030E+01 ppm1 8.702 ppm2 1.735 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "57 " and name "HA ") ) 5.000 5.000 0.000 peak 4939 weight 0.10000E+01 volume 0.52800E+00 ppm1 8.701 ppm2 4.441 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "58 " and name "HN ") ) 5.000 5.000 0.000 peak 4941 weight 0.10000E+01 volume 0.33200E+00 ppm1 8.703 ppm2 6.154 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") ) 2.700 2.700 0.000 peak 4933 weight 0.10000E+01 volume 0.33400E+01 ppm1 8.702 ppm2 2.678 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "59 " and name "HD1 ") ) 6.000 6.000 0.000 peak 4951 weight 0.10000E+01 volume 0.24900E+00 ppm1 8.701 ppm2 1.510 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 4952 weight 0.10000E+01 volume 0.57000E-01 ppm1 8.702 ppm2 0.204 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "56 " and name "HA ") ) 6.000 6.000 0.000 peak 4943 weight 0.10000E+01 volume 0.28700E+00 ppm1 8.701 ppm2 3.588 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "62 " and name "HN ") ) 6.000 6.000 0.000 peak 4945 weight 0.10000E+01 volume 0.13500E+00 ppm1 8.701 ppm2 8.228 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "59 " and name "HN ") ) 3.300 3.300 0.000 peak 4934 weight 0.10000E+01 volume 0.15320E+01 ppm1 8.702 ppm2 7.279 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "59 " and name "HD2 ") OR (segid " " and resid "59 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4938 weight 0.10000E+01 volume 0.74200E+00 ppm1 8.702 ppm2 1.382 ASSI ( (segid " " and resid "60 " and name "HN ") )( (segid " " and resid "61 " and name "HN ") ) 5.000 5.000 0.000 peak 4935 weight 0.10000E+01 volume 0.13050E+01 ppm1 8.702 ppm2 8.053 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") OR (segid " " and resid "21 " and name "HG11") ) 5.000 5.000 0.000 peak 4737 weight 0.10000E+01 volume 0.32700E+00 ppm1 8.073 ppm2 0.769 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "62 " and name "HB2 ") ) 6.000 6.000 0.000 peak 4741 weight 0.10000E+01 volume 0.13500E+00 ppm1 8.073 ppm2 1.855 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "62 " and name "HG1 ") ) 6.000 6.000 0.000 peak 4740 weight 0.10000E+01 volume 0.17900E+00 ppm1 8.072 ppm2 2.022 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "64 " and name "HB1 ") OR (segid " " and resid "62 " and name "HA ") ) 6.000 6.000 0.000 peak 4739 weight 0.10000E+01 volume 0.14800E+00 ppm1 8.074 ppm2 3.333 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 2.700 2.700 0.000 peak 4726 weight 0.10000E+01 volume 0.31780E+01 ppm1 8.074 ppm2 1.407 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "57 " and name "HA ") ) 6.000 6.000 0.000 peak 4734 weight 0.10000E+01 volume 0.22200E+00 ppm1 8.074 ppm2 4.441 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "59 " and name "HN ") ) 5.000 5.000 0.000 peak 4733 weight 0.10000E+01 volume 0.36300E+00 ppm1 8.072 ppm2 7.291 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "58 " and name "HA ") ) 5.000 5.000 0.000 peak 4731 weight 0.10000E+01 volume 0.76800E+00 ppm1 8.074 ppm2 2.543 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") ) 3.300 3.300 0.000 peak 4727 weight 0.10000E+01 volume 0.20130E+01 ppm1 8.073 ppm2 2.679 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 4736 weight 0.10000E+01 volume 0.14900E+00 ppm1 8.072 ppm2 0.198 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "59 " and name "HB2 ") OR (segid " " and resid "59 " and name "HB1 ") OR (segid " " and resid "58 " and name "HB ") ) 5.000 5.000 0.000 peak 4735 weight 0.10000E+01 volume 0.31800E+00 ppm1 8.072 ppm2 1.731 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "58 " and name "HG23") OR (segid " " and resid "58 " and name "HG22") OR (segid " " and resid "58 " and name "HG21") ) 6.000 6.000 0.000 peak 4742 weight 0.10000E+01 volume 0.85000E-01 ppm1 8.074 ppm2 -0.857 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "59 " and name "HA ") ) 6.000 6.000 0.000 peak 4743 weight 0.10000E+01 volume 0.86000E-01 ppm1 8.072 ppm2 3.780 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "24 " and name "HD13") OR (segid " " and resid "24 " and name "HD12") OR (segid " " and resid "24 " and name "HD11") ) 6.000 6.000 0.000 peak 4744 weight 0.10000E+01 volume 0.83000E-01 ppm1 8.073 ppm2 0.987 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "60 " and name "HA ") ) 5.000 5.000 0.000 peak 4732 weight 0.10000E+01 volume 0.53400E+00 ppm1 8.072 ppm2 4.285 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "63 " and name "HN ") ) 6.000 6.000 0.000 peak 4738 weight 0.10000E+01 volume 0.16300E+00 ppm1 8.074 ppm2 7.687 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "58 " and name "HN ") ) 6.000 6.000 0.000 peak 4745 weight 0.10000E+01 volume 0.67000E-01 ppm1 8.073 ppm2 6.158 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "62 " and name "HN ") ) 5.000 5.000 0.000 peak 4730 weight 0.10000E+01 volume 0.13950E+01 ppm1 8.073 ppm2 8.217 ASSI ( (segid " " and resid "61 " and name "HN ") )( (segid " " and resid "63 " and name "HB2 ") OR (segid " " and resid "63 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4746 weight 0.10000E+01 volume 0.92000E-01 ppm1 8.073 ppm2 2.140 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "21 " and name "HG13") OR (segid " " and resid "21 " and name "HG12") ) 6.000 6.000 0.000 peak 4856 weight 0.10000E+01 volume 0.21100E+00 ppm1 8.243 ppm2 0.778 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "59 " and name "HA ") ) 5.000 5.000 0.000 peak 4852 weight 0.10000E+01 volume 0.34800E+00 ppm1 8.240 ppm2 3.778 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "58 " and name "HA ") ) 6.000 6.000 0.000 peak 4855 weight 0.10000E+01 volume 0.25700E+00 ppm1 8.241 ppm2 2.526 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "62 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4850 weight 0.10000E+01 volume 0.12070E+01 ppm1 8.242 ppm2 1.505 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "61 " and name "HA ") ) 5.000 5.000 0.000 peak 4853 weight 0.10000E+01 volume 0.44800E+00 ppm1 8.241 ppm2 4.000 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "58 " and name "HG13") OR (segid " " and resid "58 " and name "HG12") OR (segid " " and resid "58 " and name "HG11") ) 6.000 6.000 0.000 peak 4854 weight 0.10000E+01 volume 0.27400E+00 ppm1 8.242 ppm2 0.200 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4845 weight 0.10000E+01 volume 0.14560E+01 ppm1 8.241 ppm2 1.410 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "62 " and name "HB2 ") ) 3.300 3.300 0.000 peak 4846 weight 0.10000E+01 volume 0.15840E+01 ppm1 8.242 ppm2 1.846 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "62 " and name "HG1 ") ) 3.300 3.300 0.000 peak 4841 weight 0.10000E+01 volume 0.18940E+01 ppm1 8.242 ppm2 2.018 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "62 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4848 weight 0.10000E+01 volume 0.11770E+01 ppm1 8.241 ppm2 0.411 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4861 weight 0.10000E+01 volume 0.12300E+00 ppm1 8.243 ppm2 2.680 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "41 " and name "HD23") OR (segid " " and resid "41 " and name "HD22") OR (segid " " and resid "41 " and name "HD21") OR (segid " " and resid "21 " and name "HG22") OR (segid " " and resid "21 " and name "HG21") ) 6.000 6.000 0.000 peak 4857 weight 0.10000E+01 volume 0.26800E+00 ppm1 8.242 ppm2 0.704 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "60 " and name "HA ") ) 6.000 6.000 0.000 peak 4859 weight 0.10000E+01 volume 0.60000E-01 ppm1 8.242 ppm2 4.282 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "63 " and name "HN ") ) 5.000 5.000 0.000 peak 4844 weight 0.10000E+01 volume 0.11840E+01 ppm1 8.242 ppm2 7.681 ASSI ( (segid " " and resid "62 " and name "HN ") )( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") OR (segid " " and resid "59 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4851 weight 0.10000E+01 volume 0.70700E+00 ppm1 8.242 ppm2 1.730 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "63 " and name "HG1 ") ) 5.000 5.000 0.000 peak 4870 weight 0.10000E+01 volume 0.62400E+00 ppm1 7.702 ppm2 2.494 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4875 weight 0.10000E+01 volume 0.39000E+00 ppm1 7.704 ppm2 1.414 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "59 " and name "HA ") ) 6.000 6.000 0.000 peak 4878 weight 0.10000E+01 volume 0.14500E+00 ppm1 7.705 ppm2 3.776 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "62 " and name "HB2 ") ) 5.000 5.000 0.000 peak 4869 weight 0.10000E+01 volume 0.11640E+01 ppm1 7.704 ppm2 1.836 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "63 " and name "HB2 ") ) 2.700 2.700 0.000 peak 4865 weight 0.10000E+01 volume 0.34630E+01 ppm1 7.705 ppm2 2.123 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "62 " and name "HE3 ") OR (segid " " and resid "62 " and name "HE2 ") OR (segid " " and resid "62 " and name "HE1 ") ) 6.000 6.000 0.000 peak 4876 weight 0.10000E+01 volume 0.26800E+00 ppm1 7.704 ppm2 1.725 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "63 " and name "HG2 ") ) 5.000 5.000 0.000 peak 4872 weight 0.10000E+01 volume 0.53000E+00 ppm1 7.704 ppm2 2.294 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "60 " and name "HA ") ) 5.000 5.000 0.000 peak 4873 weight 0.10000E+01 volume 0.54900E+00 ppm1 7.702 ppm2 4.291 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "62 " and name "HB1 ") ) 5.000 5.000 0.000 peak 4871 weight 0.10000E+01 volume 0.80200E+00 ppm1 7.704 ppm2 1.508 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "66 " and name "HB1 ") OR (segid " " and resid "60 " and name "HB2 ") OR (segid " " and resid "60 " and name "HB1 ") ) 6.000 6.000 0.000 peak 4880 weight 0.10000E+01 volume 0.20100E+00 ppm1 7.703 ppm2 2.677 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "62 " and name "HG2 ") ) 6.000 6.000 0.000 peak 4877 weight 0.10000E+01 volume 0.21700E+00 ppm1 7.702 ppm2 0.410 ASSI ( (segid " " and resid "63 " and name "HN ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 4874 weight 0.10000E+01 volume 0.56000E+00 ppm1 7.704 ppm2 3.350 ASSI ( (segid " " and resid "64 " and name "HN ") )( (segid " " and resid "64 " and name "HA ") ) 3.300 3.300 0.000 peak 5425 weight 0.10000E+01 volume 0.15090E+01 ppm1 8.132 ppm2 4.179 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "61 " and name "HB3 ") OR (segid " " and resid "61 " and name "HB2 ") OR (segid " " and resid "61 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5163 weight 0.10000E+01 volume 0.10700E+00 ppm1 8.535 ppm2 1.410 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "65 " and name "HB2 ") ) 3.300 3.300 0.000 peak 5151 weight 0.10000E+01 volume 0.17220E+01 ppm1 8.533 ppm2 2.101 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "66 " and name "HN ") ) 5.000 5.000 0.000 peak 5153 weight 0.10000E+01 volume 0.97900E+00 ppm1 8.534 ppm2 8.903 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "64 " and name "HB1 ") OR (segid " " and resid "62 " and name "HA ") ) 3.300 3.300 0.000 peak 5152 weight 0.10000E+01 volume 0.15400E+01 ppm1 8.534 ppm2 3.336 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") OR (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") ) 5.000 5.000 0.000 peak 5156 weight 0.10000E+01 volume 0.12750E+01 ppm1 8.534 ppm2 0.780 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "65 " and name "HG ") ) 3.300 3.300 0.000 peak 5149 weight 0.10000E+01 volume 0.16190E+01 ppm1 8.534 ppm2 1.867 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "65 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5155 weight 0.10000E+01 volume 0.11580E+01 ppm1 8.533 ppm2 1.678 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "68 " and name "HE22") ) 5.000 5.000 0.000 peak 5159 weight 0.10000E+01 volume 0.30100E+00 ppm1 8.532 ppm2 6.869 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "64 " and name "HA ") ) 5.000 5.000 0.000 peak 5157 weight 0.10000E+01 volume 0.44900E+00 ppm1 8.534 ppm2 4.179 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "63 " and name "HN ") ) 6.000 6.000 0.000 peak 5161 weight 0.10000E+01 volume 0.99000E-01 ppm1 8.534 ppm2 7.686 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5160 weight 0.10000E+01 volume 0.25900E+00 ppm1 8.533 ppm2 6.699 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "68 " and name "HN ") OR (segid " " and resid "67 " and name "HN ") ) 6.000 6.000 0.000 peak 5158 weight 0.10000E+01 volume 0.18300E+00 ppm1 8.534 ppm2 7.911 ASSI ( (segid " " and resid "65 " and name "HN ") )( (segid " " and resid "66 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5162 weight 0.10000E+01 volume 0.99000E-01 ppm1 8.533 ppm2 2.884 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "62 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5198 weight 0.10000E+01 volume 0.15300E+00 ppm1 8.924 ppm2 1.492 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "67 " and name "HB2 ") OR (segid " " and resid "65 " and name "HG ") ) 5.000 5.000 0.000 peak 5189 weight 0.10000E+01 volume 0.59200E+00 ppm1 8.923 ppm2 1.859 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "65 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5191 weight 0.10000E+01 volume 0.57200E+00 ppm1 8.922 ppm2 1.675 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "64 " and name "HA ") ) 6.000 6.000 0.000 peak 5196 weight 0.10000E+01 volume 0.16400E+00 ppm1 8.925 ppm2 4.176 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD21") OR (segid " " and resid "65 " and name "HD13") OR (segid " " and resid "65 " and name "HD12") OR (segid " " and resid "65 " and name "HD11") ) 5.000 5.000 0.000 peak 5194 weight 0.10000E+01 volume 0.37700E+00 ppm1 8.922 ppm2 0.782 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "66 " and name "HB2 ") ) 3.300 3.300 0.000 peak 5183 weight 0.10000E+01 volume 0.15960E+01 ppm1 8.923 ppm2 2.883 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "65 " and name "HA ") OR (segid " " and resid "63 " and name "HA ") ) 5.000 5.000 0.000 peak 5187 weight 0.10000E+01 volume 0.11100E+01 ppm1 8.923 ppm2 4.035 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "27 " and name "HD2 ") OR (segid " " and resid "27 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5197 weight 0.10000E+01 volume 0.18000E+00 ppm1 8.923 ppm2 6.689 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "62 " and name "HA ") ) 5.000 5.000 0.000 peak 5193 weight 0.10000E+01 volume 0.36900E+00 ppm1 8.923 ppm2 3.343 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "65 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5188 weight 0.10000E+01 volume 0.95700E+00 ppm1 8.923 ppm2 2.109 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "66 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5186 weight 0.10000E+01 volume 0.13160E+01 ppm1 8.923 ppm2 2.670 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "27 " and name "HE2 ") OR (segid " " and resid "27 " and name "HE1 ") ) 5.000 5.000 0.000 peak 5190 weight 0.10000E+01 volume 0.51200E+00 ppm1 8.922 ppm2 6.809 ASSI ( (segid " " and resid "66 " and name "HN ") )( (segid " " and resid "67 " and name "HN ") ) 3.300 3.300 0.000 peak 5182 weight 0.10000E+01 volume 0.17490E+01 ppm1 8.923 ppm2 7.920 ASSI ( (segid " " and resid "68 " and name "HN ") )( (segid " " and resid "66 " and name "HA ") ) 6.000 6.000 0.000 peak 5088 weight 0.10000E+01 volume 0.13900E+00 ppm1 7.908 ppm2 4.515 ASSI ( (segid " " and resid "68 " and name "HN ") )( (segid " " and resid "68 " and name "HB2 ") ) 3.300 3.300 0.000 peak 5082 weight 0.10000E+01 volume 0.22090E+01 ppm1 7.908 ppm2 2.047 ASSI ( (segid " " and resid "68 " and name "HN ") )( (segid " " and resid "68 " and name "HG2 ") OR (segid " " and resid "68 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5084 weight 0.10000E+01 volume 0.13350E+01 ppm1 7.908 ppm2 2.282 ASSI ( (segid " " and resid "68 " and name "HN ") )( (segid " " and resid "70 " and name "HB2 ") OR (segid " " and resid "70 " and name "HB1 ") OR (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "69 " and name "HB2 ") OR (segid " " and resid "69 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5086 weight 0.10000E+01 volume 0.23500E+00 ppm1 7.907 ppm2 1.480 ASSI ( (segid " " and resid "68 " and name "HN ") )( (segid " " and resid "67 " and name "HB2 ") OR (segid " " and resid "67 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5083 weight 0.10000E+01 volume 0.13310E+01 ppm1 7.908 ppm2 1.854 ASSI ( (segid " " and resid "68 " and name "HN ") )( (segid " " and resid "67 " and name "HG2 ") OR (segid " " and resid "65 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5087 weight 0.10000E+01 volume 0.20400E+00 ppm1 7.908 ppm2 1.645 ASSI ( (segid " " and resid "68 " and name "HN ") )( (segid " " and resid "66 " and name "HN ") ) 6.000 6.000 0.000 peak 5085 weight 0.10000E+01 volume 0.14400E+00 ppm1 7.907 ppm2 8.911 ASSI ( (segid " " and resid "68 " and name "HN ") )( (segid " " and resid "66 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5092 weight 0.10000E+01 volume 0.72000E-01 ppm1 7.908 ppm2 2.881 ASSI ( (segid " " and resid "68 " and name "HN ") )( (segid " " and resid "67 " and name "HD2 ") OR (segid " " and resid "67 " and name "HD1 ") ) 6.000 6.000 0.000 peak 5091 weight 0.10000E+01 volume 0.91000E-01 ppm1 7.908 ppm2 3.140 ASSI ( (segid " " and resid "68 " and name "HN ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 6.000 6.000 0.000 peak 5089 weight 0.10000E+01 volume 0.15200E+00 ppm1 7.906 ppm2 0.749 ASSI ( (segid " " and resid "68 " and name "HE21") )( (segid " " and resid "64 " and name "HN ") ) 6.000 6.000 0.000 peak 8755 weight 0.10000E+01 volume 0.14600E+00 ppm1 7.388 ppm2 8.093 ASSI ( (segid " " and resid "68 " and name "HE21") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 6.000 6.000 0.000 peak 8751 weight 0.10000E+01 volume 0.16100E+00 ppm1 7.386 ppm2 0.748 ASSI ( (segid " " and resid "68 " and name "HE21") )( (segid " " and resid "68 " and name "HB2 ") OR (segid " " and resid "68 " and name "HB1 ") ) 6.000 6.000 0.000 peak 8757 weight 0.10000E+01 volume 0.92000E-01 ppm1 7.387 ppm2 2.074 ASSI ( (segid " " and resid "68 " and name "HE21") )( (segid " " and resid "68 " and name "HE22") ) 2.700 2.700 0.000 peak 8736 weight 0.10000E+01 volume 0.99130E+01 ppm1 7.386 ppm2 6.887 ASSI ( (segid " " and resid "68 " and name "HE21") )( (segid " " and resid "68 " and name "HG2 ") OR (segid " " and resid "68 " and name "HG1 ") ) 5.000 5.000 0.000 peak 8743 weight 0.10000E+01 volume 0.37800E+00 ppm1 7.388 ppm2 2.273 ASSI ( (segid " " and resid "68 " and name "HE21") )( (segid " " and resid "65 " and name "HA ") ) 6.000 6.000 0.000 peak 8756 weight 0.10000E+01 volume 0.89000E-01 ppm1 7.387 ppm2 4.047 ASSI ( (segid " " and resid "68 " and name "HE22") )( (segid " " and resid "64 " and name "HN ") ) 6.000 6.000 0.000 peak 8779 weight 0.10000E+01 volume 0.69000E-01 ppm1 6.905 ppm2 8.095 ASSI ( (segid " " and resid "68 " and name "HE22") )( (segid " " and resid "68 " and name "HG2 ") OR (segid " " and resid "68 " and name "HG1 ") ) 6.000 6.000 0.000 peak 8775 weight 0.10000E+01 volume 0.16200E+00 ppm1 6.901 ppm2 2.277 ASSI ( (segid " " and resid "68 " and name "HE22") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 6.000 6.000 0.000 peak 8772 weight 0.10000E+01 volume 0.23100E+00 ppm1 6.901 ppm2 0.745 ASSI ( (segid " " and resid "68 " and name "HE22") )( (segid " " and resid "65 " and name "HA ") ) 6.000 6.000 0.000 peak 8778 weight 0.10000E+01 volume 0.43000E-01 ppm1 6.906 ppm2 4.044 ASSI ( (segid " " and resid "69 " and name "HN ") )( (segid " " and resid "65 " and name "HD23") OR (segid " " and resid "65 " and name "HD22") OR (segid " " and resid "65 " and name "HD21") ) 6.000 6.000 0.000 peak 5523 weight 0.10000E+01 volume 0.63000E-01 ppm1 7.939 ppm2 0.750 ASSI ( (segid " " and resid "69 " and name "HN ") )( (segid " " and resid "68 " and name "HA ") OR (segid " " and resid "65 " and name "HA ") ) 5.000 5.000 0.000 peak 5516 weight 0.10000E+01 volume 0.12730E+01 ppm1 7.936 ppm2 4.065 ASSI ( (segid " " and resid "69 " and name "HN ") )( (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "69 " and name "HB2 ") OR (segid " " and resid "69 " and name "HB1 ") ) 2.700 2.700 0.000 peak 5514 weight 0.10000E+01 volume 0.44390E+01 ppm1 7.937 ppm2 1.506 ASSI ( (segid " " and resid "69 " and name "HN ") )( (segid " " and resid "67 " and name "HB2 ") OR (segid " " and resid "67 " and name "HB1 ") OR (segid " " and resid "65 " and name "HG ") ) 6.000 6.000 0.000 peak 5306 weight 0.10000E+01 volume 0.18400E+00 ppm1 7.937 ppm2 1.840 ASSI ( (segid " " and resid "69 " and name "HN ") )( (segid " " and resid "68 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5517 weight 0.10000E+01 volume 0.10490E+01 ppm1 7.936 ppm2 2.085 ASSI ( (segid " " and resid "69 " and name "HN ") )( (segid " " and resid "66 " and name "HA ") ) 5.000 5.000 0.000 peak 5518 weight 0.10000E+01 volume 0.39400E+00 ppm1 7.936 ppm2 4.518 ASSI ( (segid " " and resid "69 " and name "HN ") )( (segid " " and resid "65 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5521 weight 0.10000E+01 volume 0.20000E+00 ppm1 7.936 ppm2 1.669 ASSI ( (segid " " and resid "69 " and name "HN ") )( (segid " " and resid "68 " and name "HG2 ") OR (segid " " and resid "68 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5519 weight 0.10000E+01 volume 0.35200E+00 ppm1 7.935 ppm2 2.277 ASSI ( (segid " " and resid "69 " and name "HN ") )( (segid " " and resid "66 " and name "HN ") ) 6.000 6.000 0.000 peak 5522 weight 0.10000E+01 volume 0.92000E-01 ppm1 7.939 ppm2 8.894 ASSI ( (segid " " and resid "70 " and name "HN ") )( (segid " " and resid "72 " and name "HB1 ") OR (segid " " and resid "65 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5487 weight 0.10000E+01 volume 0.18200E+00 ppm1 7.868 ppm2 1.692 ASSI ( (segid " " and resid "70 " and name "HN ") )( (segid " " and resid "74 " and name "HA ") ) 6.000 6.000 0.000 peak 5488 weight 0.10000E+01 volume 0.23100E+00 ppm1 7.868 ppm2 4.370 ASSI ( (segid " " and resid "70 " and name "HN ") )( (segid " " and resid "70 " and name "HB3 ") OR (segid " " and resid "70 " and name "HB2 ") OR (segid " " and resid "70 " and name "HB1 ") ) 2.700 2.700 0.000 peak 5477 weight 0.10000E+01 volume 0.45740E+01 ppm1 7.866 ppm2 1.416 ASSI ( (segid " " and resid "70 " and name "HN ") )( (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "69 " and name "HB2 ") OR (segid " " and resid "69 " and name "HB1 ") ) 3.300 3.300 0.000 peak 5480 weight 0.10000E+01 volume 0.23710E+01 ppm1 7.863 ppm2 1.503 ASSI ( (segid " " and resid "70 " and name "HN ") )( (segid " " and resid "68 " and name "HA ") OR (segid " " and resid "67 " and name "HA ") ) 5.000 5.000 0.000 peak 5483 weight 0.10000E+01 volume 0.68600E+00 ppm1 7.866 ppm2 4.078 ASSI ( (segid " " and resid "70 " and name "HN ") )( (segid " " and resid "67 " and name "HG1 ") OR (segid " " and resid "67 " and name "HB2 ") OR (segid " " and resid "67 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5486 weight 0.10000E+01 volume 0.11400E+00 ppm1 7.863 ppm2 1.847 ASSI ( (segid " " and resid "70 " and name "HN ") )( (segid " " and resid "66 " and name "HA ") ) 6.000 6.000 0.000 peak 5484 weight 0.10000E+01 volume 0.14200E+00 ppm1 7.867 ppm2 4.517 ASSI ( (segid " " and resid "71 " and name "HN ") )( (segid " " and resid "72 " and name "HG ") OR (segid " " and resid "72 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5495 weight 0.10000E+01 volume 0.19700E+00 ppm1 7.783 ppm2 1.720 ASSI ( (segid " " and resid "71 " and name "HN ") )( (segid " " and resid "71 " and name "HB3 ") OR (segid " " and resid "71 " and name "HB2 ") OR (segid " " and resid "71 " and name "HB1 ") OR (segid " " and resid "70 " and name "HB3 ") ) 2.700 2.700 0.000 peak 5490 weight 0.10000E+01 volume 0.52060E+01 ppm1 7.781 ppm2 1.411 ASSI ( (segid " " and resid "71 " and name "HN ") )( (segid " " and resid "68 " and name "HB2 ") ) 6.000 6.000 0.000 peak 5500 weight 0.10000E+01 volume 0.63000E-01 ppm1 7.781 ppm2 2.046 ASSI ( (segid " " and resid "71 " and name "HN ") )( (segid " " and resid "68 " and name "HA ") ) 5.000 5.000 0.000 peak 5493 weight 0.10000E+01 volume 0.49100E+00 ppm1 7.783 ppm2 4.066 ASSI ( (segid " " and resid "71 " and name "HN ") )( (segid " " and resid "69 " and name "HB3 ") OR (segid " " and resid "69 " and name "HB2 ") OR (segid " " and resid "69 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5494 weight 0.10000E+01 volume 0.29100E+00 ppm1 7.780 ppm2 1.551 ASSI ( (segid " " and resid "71 " and name "HN ") )( (segid " " and resid "74 " and name "HA ") OR (segid " " and resid "72 " and name "HA ") ) 6.000 6.000 0.000 peak 5498 weight 0.10000E+01 volume 0.66000E-01 ppm1 7.781 ppm2 4.340 ASSI ( (segid " " and resid "72 " and name "HN ") )( (segid " " and resid "72 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5097 weight 0.10000E+01 volume 0.10350E+01 ppm1 7.837 ppm2 1.597 ASSI ( (segid " " and resid "72 " and name "HN ") )( (segid " " and resid "71 " and name "HB3 ") OR (segid " " and resid "71 " and name "HB2 ") OR (segid " " and resid "71 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5095 weight 0.10000E+01 volume 0.12700E+01 ppm1 7.837 ppm2 1.411 ASSI ( (segid " " and resid "72 " and name "HN ") )( (segid " " and resid "71 " and name "HA ") ) 3.300 3.300 0.000 peak 5094 weight 0.10000E+01 volume 0.16470E+01 ppm1 7.836 ppm2 4.202 ASSI ( (segid " " and resid "72 " and name "HN ") )( (segid " " and resid "72 " and name "HB1 ") ) 3.300 3.300 0.000 peak 5093 weight 0.10000E+01 volume 0.29150E+01 ppm1 7.837 ppm2 1.723 ASSI ( (segid " " and resid "72 " and name "HN ") )( (segid " " and resid "72 " and name "HD21") OR (segid " " and resid "72 " and name "HD13") OR (segid " " and resid "72 " and name "HD12") OR (segid " " and resid "72 " and name "HD11") ) 5.000 5.000 0.000 peak 5099 weight 0.10000E+01 volume 0.43000E+00 ppm1 7.837 ppm2 0.888 ASSI ( (segid " " and resid "73 " and name "HN ") )( (segid " " and resid "73 " and name "HG23") OR (segid " " and resid "73 " and name "HG22") OR (segid " " and resid "73 " and name "HG21") ) 5.000 5.000 0.000 peak 5410 weight 0.10000E+01 volume 0.65100E+00 ppm1 7.867 ppm2 1.175 ASSI ( (segid " " and resid "73 " and name "HN ") )( (segid " " and resid "72 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5414 weight 0.10000E+01 volume 0.42300E+00 ppm1 7.867 ppm2 1.596 ASSI ( (segid " " and resid "73 " and name "HN ") )( (segid " " and resid "72 " and name "HD23") OR (segid " " and resid "72 " and name "HD22") OR (segid " " and resid "72 " and name "HD21") ) 6.000 6.000 0.000 peak 5420 weight 0.10000E+01 volume 0.14800E+00 ppm1 7.867 ppm2 0.862 ASSI ( (segid " " and resid "73 " and name "HN ") )( (segid " " and resid "73 " and name "HB ") OR (segid " " and resid "70 " and name "HA ") ) 3.300 3.300 0.000 peak 5408 weight 0.10000E+01 volume 0.16230E+01 ppm1 7.868 ppm2 4.212 ASSI ( (segid " " and resid "73 " and name "HN ") )( (segid " " and resid "74 " and name "HN ") ) 5.000 5.000 0.000 peak 5407 weight 0.10000E+01 volume 0.11060E+01 ppm1 7.867 ppm2 8.152 ASSI ( (segid " " and resid "73 " and name "HN ") )( (segid " " and resid "72 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5411 weight 0.10000E+01 volume 0.49800E+00 ppm1 7.868 ppm2 1.727 ASSI ( (segid " " and resid "73 " and name "HN ") )( (segid " " and resid "71 " and name "HB3 ") OR (segid " " and resid "71 " and name "HB2 ") OR (segid " " and resid "71 " and name "HB1 ") OR (segid " " and resid "70 " and name "HB3 ") ) 6.000 6.000 0.000 peak 5416 weight 0.10000E+01 volume 0.26600E+00 ppm1 7.869 ppm2 1.412 ASSI ( (segid " " and resid "74 " and name "HN ") )( (segid " " and resid "73 " and name "HG23") OR (segid " " and resid "73 " and name "HG22") OR (segid " " and resid "73 " and name "HG21") ) 6.000 6.000 0.000 peak 5569 weight 0.10000E+01 volume 0.17700E+00 ppm1 8.163 ppm2 1.174 ASSI ( (segid " " and resid "74 " and name "HN ") )( (segid " " and resid "74 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5564 weight 0.10000E+01 volume 0.97300E+00 ppm1 8.163 ppm2 1.767 ASSI ( (segid " " and resid "74 " and name "HN ") )( (segid " " and resid "74 " and name "HG2 ") OR (segid " " and resid "74 " and name "HG1 ") ) 5.000 5.000 0.000 peak 5566 weight 0.10000E+01 volume 0.51300E+00 ppm1 8.163 ppm2 1.586 ASSI ( (segid " " and resid "75 " and name "HN ") )( (segid " " and resid "74 " and name "HG2 ") OR (segid " " and resid "74 " and name "HG1 ") ) 6.000 6.000 0.000 peak 5144 weight 0.10000E+01 volume 0.85000E-01 ppm1 8.439 ppm2 1.577 ASSI ( (segid " " and resid "75 " and name "HN ") )( (segid " " and resid "75 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5146 weight 0.10000E+01 volume 0.10500E+00 ppm1 8.441 ppm2 2.811 ASSI ( (segid " " and resid "75 " and name "HN ") )( (segid " " and resid "75 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5139 weight 0.10000E+01 volume 0.30100E+00 ppm1 8.441 ppm2 2.676 ASSI ( (segid " " and resid "75 " and name "HN ") )( (segid " " and resid "74 " and name "HA ") ) 5.000 5.000 0.000 peak 5136 weight 0.10000E+01 volume 0.10870E+01 ppm1 8.440 ppm2 4.316 ASSI ( (segid " " and resid "75 " and name "HN ") )( (segid " " and resid "74 " and name "HN ") ) 5.000 5.000 0.000 peak 5140 weight 0.10000E+01 volume 0.32700E+00 ppm1 8.443 ppm2 8.131 ASSI ( (segid " " and resid "75 " and name "HN ") )( (segid " " and resid "74 " and name "HB2 ") OR (segid " " and resid "74 " and name "HB1 ") ) 6.000 6.000 0.000 peak 5143 weight 0.10000E+01 volume 0.15500E+00 ppm1 8.443 ppm2 1.813 ASSI ( (segid " " and resid "75 " and name "HN ") )( (segid " " and resid "76 " and name "HN ") ) 6.000 6.000 0.000 peak 5141 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.441 ppm2 7.937 ASSI ( (segid " " and resid "75 " and name "HD21") )( (segid " " and resid "75 " and name "HD22") ) 2.700 2.700 0.000 peak 8831 weight 0.10000E+01 volume 0.17818E+02 ppm1 7.595 ppm2 6.858 ASSI ( (segid " " and resid "76 " and name "HN ") )( (segid " " and resid "75 " and name "HA ") ) 6.000 6.000 0.000 peak 4843 weight 0.10000E+01 volume 0.19200E+00 ppm1 7.942 ppm2 4.723 ASSI ( (segid " " and resid "76 " and name "HN ") )( (segid " " and resid "74 " and name "HA ") ) 6.000 6.000 0.000 peak 4849 weight 0.10000E+01 volume 0.49000E-01 ppm1 7.940 ppm2 4.304 ASSI ( (segid " " and resid "19 " and name "HN ") )( (segid " " and resid "57 " and name "HE3 ") ) 5.000 5.000 0.000 peak 5643 weight 0.10000E+01 volume 0.44900E+00 ppm1 5.329 ppm2 7.313 ASSI ( (segid " " and resid "19 " and name "HN ") )( (segid " " and resid "57 " and name "HZ3 ") ) 5.000 5.000 0.000 peak 5644 weight 0.10000E+01 volume 0.74300E+00 ppm1 5.327 ppm2 6.648 ASSI ( (segid " " and resid "19 " and name "HN ") )( (segid " " and resid "18 " and name "HG2 ") ) 5.000 5.000 0.000 peak 5645 weight 0.10000E+01 volume 0.55600E+00 ppm1 5.328 ppm2 0.195 ASSI ( (segid " " and resid "19 " and name "HN ") )( (segid " " and resid "18 " and name "HG1 ") OR (segid " " and resid "18 " and name "HB2 ") ) 5.000 5.000 0.000 peak 5642 weight 0.10000E+01 volume 0.83900E+00 ppm1 5.327 ppm2 0.390 ASSI ( (segid " " and resid "19 " and name "HN ") )( (segid " " and resid "19 " and name "HG23") OR (segid " " and resid "19 " and name "HG21") OR (segid " " and resid "18 " and name "HB1 ") ) 5.000 5.000 0.000 peak 5641 weight 0.10000E+01 volume 0.11890E+01 ppm1 5.328 ppm2 0.772 ASSI ( (segid " " and resid "19 " and name "HN ") )( (segid " " and resid "18 " and name "HA ") ) 2.700 2.700 0.000 peak 5635 weight 0.10000E+01 volume 0.31110E+01 ppm1 5.326 ppm2 0.650 ASSI ( (segid " " and resid "19 " and name "HN ") )( (segid " " and resid "19 " and name "HB ") ) 5.000 5.000 0.000 peak 5640 weight 0.10000E+01 volume 0.11870E+01 ppm1 5.325 ppm2 1.296 ASSI ( (segid " " and resid "19 " and name "HN ") )( (segid " " and resid "19 " and name "HA ") ) 5.000 5.000 0.000 peak 5647 weight 0.10000E+01 volume 0.41200E+00 ppm1 5.327 ppm2 4.129 ASSI ( (segid " " and resid "19 " and name "HN ") )( (segid " " and resid "19 " and name "HG11") ) 5.000 5.000 0.000 peak 5646 weight 0.10000E+01 volume 0.51300E+00 ppm1 5.326 ppm2 1.436
Contact the webmaster for help, if required. Saturday, May 11, 2024 3:15:56 PM GMT (wattos1)