NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
25707 | 2kbb | 15457 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 4} (( segid " " and resid 1822 and name HA2 )) (( segid " " and resid 1696 and name H )) 3.500 3.500 2.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.36572E-03 ppm1 3.792 ppm2 8.883 CV 1 OR { 4} (( segid " " and resid 1822 and name HA3 )) (( segid " " and resid 1696 and name H )) ASSI { 5} ( segid " " and resid 1820 and name HB% ) ( segid " " and resid 1761 and name HD2%) 2.600 2.600 3.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.22045E-02 ppm1 1.448 ppm2 0.871 CV 1 ASSI { 7} (( segid " " and resid 1718 and name HB2 )) (( segid " " and resid 1719 and name H )) 3.600 1.600 1.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.26278E-02 ppm1 3.916 ppm2 7.945 CV 1 ASSI { 9} ( segid " " and resid 1820 and name HB% ) (( segid " " and resid 1816 and name HA )) 4.100 2.100 1.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.48762E-03 ppm1 1.443 ppm2 4.126 CV 1 ASSI { 10} ( segid " " and resid 1748 and name HB% ) (( segid " " and resid 1748 and name HA )) 2.100 0.500 0.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.13416E-01 ppm1 1.439 ppm2 4.052 CV 1 ASSI { 11} ( segid " " and resid 1820 and name HB% ) (( segid " " and resid 1816 and name H )) 3.200 1.300 1.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.61969E-03 ppm1 1.453 ppm2 8.121 CV 1 ASSI { 12} ( segid " " and resid 1769 and name HB% ) ( segid " " and resid 1668 and name HD1%) 2.800 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.33220E-02 ppm1 1.332 ppm2 0.228 CV 1 ASSI { 13} (( segid " " and resid 1795 and name HA )) (( segid " " and resid 1797 and name H )) 2.700 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.41075E-02 ppm1 4.224 ppm2 7.939 CV 1 ASSI { 16} (( segid " " and resid 1662 and name HG2 )) (( segid " " and resid 1662 and name H )) 3.400 1.400 1.400 peak 16 spectrum 1 weight 0.10000E+01 volume 0.32000E-02 ppm1 2.452 ppm2 8.267 CV 1 OR { 16} (( segid " " and resid 1662 and name HG3 )) (( segid " " and resid 1662 and name H )) ASSI { 18} (( segid " " and resid 1669 and name HB3 )) (( segid " " and resid 1669 and name HD22)) 3.900 1.900 1.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.17473E-02 ppm1 2.975 ppm2 7.236 CV 1 ASSI { 21} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1815 and name HD22)) 2.500 2.500 3.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.25262E-02 ppm1 0.829 ppm2 6.710 CV 1 ASSI { 22} (( segid " " and resid 1727 and name HB3 )) (( segid " " and resid 1730 and name HE3 )) 3.500 1.500 1.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.21841E-02 ppm1 1.979 ppm2 3.050 CV 1 ASSI { 23} ( segid " " and resid 1814 and name HD1%) ( segid " " and resid 1811 and name HG2%) 2.600 2.600 3.400 peak 23 spectrum 1 weight 0.10000E+01 volume 0.20995E-02 ppm1 0.756 ppm2 1.171 CV 1 ASSI { 24} ( segid " " and resid 1814 and name HD2%) ( segid " " and resid 1811 and name HG2%) 2.800 2.800 3.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.15441E-02 ppm1 0.823 ppm2 1.169 CV 1 ASSI { 25} (( segid " " and resid 1810 and name HG )) (( segid " " and resid 1761 and name HB2 )) 2.600 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.33863E-02 ppm1 1.597 ppm2 1.903 CV 1 ASSI { 29} (( segid " " and resid 1759 and name HG2 )) ( segid " " and resid 1759 and name HE% ) 2.500 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.60039E-02 ppm1 2.416 ppm2 2.025 CV 1 ASSI { 32} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1707 and name HG3 )) 3.400 1.500 1.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.16965E-02 ppm1 0.904 ppm2 2.320 CV 1 ASSI { 36} (( segid " " and resid 1803 and name HG3 )) ( segid " " and resid 1768 and name HD1%) 3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.47645E-02 ppm1 2.760 ppm2 1.054 CV 1 ASSI { 38} (( segid " " and resid 1802 and name HA )) (( segid " " and resid 1805 and name H )) 3.400 1.500 1.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.15780E-02 ppm1 4.262 ppm2 8.075 CV 1 ASSI { 42} (( segid " " and resid 1734 and name HA )) ( segid " " and resid 1737 and name HD% ) 2.300 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.30070E-02 ppm1 4.040 ppm2 7.175 CV 1 ASSI { 43} ( segid " " and resid 1800 and name HG2%) ( segid " " and resid 1804 and name HG2%) 3.000 1.200 1.200 peak 43 spectrum 1 weight 0.10000E+01 volume 0.34980E-02 ppm1 0.892 ppm2 1.303 CV 1 ASSI { 44} ( segid " " and resid 1800 and name HG1%) (( segid " " and resid 1797 and name HB2 )) 3.700 1.700 1.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.13105E-02 ppm1 0.975 ppm2 2.138 CV 1 OR { 44} ( segid " " and resid 1800 and name HG1%) (( segid " " and resid 1797 and name HB3 )) ASSI { 45} (( segid " " and resid 1666 and name HA )) (( segid " " and resid 1669 and name HD22)) 3.800 1.800 1.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 4.242 ppm2 7.233 CV 1 ASSI { 47} (( segid " " and resid 1666 and name HA )) (( segid " " and resid 1669 and name HB3 )) 2.900 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.32847E-02 ppm1 4.243 ppm2 2.975 CV 1 ASSI { 48} (( segid " " and resid 1691 and name HG3 )) (( segid " " and resid 1743 and name H )) 3.600 1.600 1.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.27158E-02 ppm1 2.313 ppm2 8.186 CV 1 ASSI { 52} (( segid " " and resid 1651 and name HA )) (( segid " " and resid 1651 and name H )) 3.600 1.700 1.700 peak 52 spectrum 1 weight 0.10000E+01 volume 0.58921E-03 ppm1 4.898 ppm2 8.416 CV 1 ASSI { 53} (( segid " " and resid 1656 and name HD2 )) (( segid " " and resid 1656 and name HG3 )) 3.000 1.100 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.43141E-02 ppm1 3.707 ppm2 2.139 CV 1 ASSI { 54} (( segid " " and resid 1652 and name HG2 )) (( segid " " and resid 1780 and name HE3 )) 3.900 1.900 1.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.35894E-03 ppm1 1.935 ppm2 3.002 CV 1 ASSI { 57} (( segid " " and resid 1656 and name HB3 )) (( segid " " and resid 1656 and name HG3 )) 2.300 0.700 0.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.55670E-02 ppm1 2.336 ppm2 2.139 CV 1 ASSI { 58} (( segid " " and resid 1656 and name HB3 )) (( segid " " and resid 1725 and name HA )) 3.400 1.500 1.500 peak 58 spectrum 1 weight 0.10000E+01 volume 0.12935E-02 ppm1 2.331 ppm2 4.199 CV 1 ASSI { 59} (( segid " " and resid 1657 and name HA3 )) (( segid " " and resid 1784 and name HA3 )) 2.100 2.100 3.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.13193E-01 ppm1 4.121 ppm2 3.749 CV 1 OR { 59} (( segid " " and resid 1657 and name HA3 )) (( segid " " and resid 1784 and name HA2 )) ASSI { 60} (( segid " " and resid 1658 and name HA )) (( segid " " and resid 1780 and name HG3 )) 3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.13579E-02 ppm1 3.915 ppm2 1.429 CV 1 ASSI { 61} (( segid " " and resid 1660 and name HA )) (( segid " " and resid 1664 and name H )) 3.900 1.900 1.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.44699E-03 ppm1 3.946 ppm2 8.095 CV 1 ASSI { 62} (( segid " " and resid 1660 and name HB2 )) (( segid " " and resid 1661 and name H )) 3.400 1.400 1.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.67725E-03 ppm1 2.086 ppm2 8.199 CV 1 ASSI { 65} (( segid " " and resid 1661 and name HB3 )) (( segid " " and resid 1780 and name HD2 )) 3.900 1.900 1.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.89738E-03 ppm1 2.469 ppm2 1.601 CV 1 OR { 65} (( segid " " and resid 1661 and name HB3 )) (( segid " " and resid 1780 and name HG2 )) ASSI { 66} (( segid " " and resid 1661 and name HB2 )) (( segid " " and resid 1780 and name HG2 )) 4.800 2.900 1.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.53503E-03 ppm1 3.297 ppm2 1.644 CV 1 OR { 66} (( segid " " and resid 1661 and name HB2 )) (( segid " " and resid 1780 and name HD3 )) ASSI { 67} (( segid " " and resid 1661 and name HB2 )) (( segid " " and resid 1780 and name HD2 )) 4.100 2.100 1.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.81273E-03 ppm1 3.302 ppm2 1.603 CV 1 OR { 67} (( segid " " and resid 1661 and name HB2 )) (( segid " " and resid 1780 and name HG2 )) ASSI { 68} ( segid " " and resid 1664 and name HB% ) (( segid " " and resid 1665 and name H )) 2.800 1.000 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.24212E-02 ppm1 1.433 ppm2 8.444 CV 1 ASSI { 69} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1781 and name H )) 5.600 3.900 0.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.14222E-03 ppm1 0.456 ppm2 7.419 CV 1 ASSI { 75} ( segid " " and resid 1668 and name HD1%) ( segid " " and resid 1738 and name HD% ) 3.000 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.22045E-02 ppm1 0.222 ppm2 7.273 CV 1 ASSI { 79} ( segid " " and resid 1668 and name HD2%) ( segid " " and resid 1773 and name HD1%) 2.400 0.700 0.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.71583E-02 ppm1 0.368 ppm2 0.908 CV 1 ASSI { 81} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1669 and name HD22)) 4.200 2.200 1.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.55873E-03 ppm1 4.513 ppm2 7.234 CV 1 ASSI { 82} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1669 and name HD21)) 4.100 2.100 1.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.49101E-03 ppm1 4.522 ppm2 6.608 CV 1 ASSI { 83} (( segid " " and resid 1673 and name HA )) (( segid " " and resid 1677 and name H )) 3.600 1.700 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.98203E-03 ppm1 4.220 ppm2 8.260 CV 1 ASSI { 84} (( segid " " and resid 1699 and name HA )) (( segid " " and resid 1815 and name HD22)) 3.200 3.200 2.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 4.214 ppm2 6.709 CV 1 ASSI { 86} ( segid " " and resid 1745 and name HB% ) (( segid " " and resid 1746 and name H )) 2.400 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.48187E-02 ppm1 1.558 ppm2 8.215 CV 1 ASSI { 88} (( segid " " and resid 1677 and name HB2 )) (( segid " " and resid 1678 and name H )) 2.900 1.100 1.100 peak 88 spectrum 1 weight 0.10000E+01 volume 0.22214E-02 ppm1 2.265 ppm2 8.111 CV 1 ASSI { 90} (( segid " " and resid 1721 and name HA )) (( segid " " and resid 1793 and name HE22)) 3.300 1.300 1.300 peak 90 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 4.142 ppm2 6.700 CV 1 ASSI { 91} ( segid " " and resid 1775 and name HD2%) ( segid " " and resid 1799 and name HB% ) 2.100 0.600 0.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.20650E-01 ppm1 0.880 ppm2 1.598 CV 1 ASSI { 94} (( segid " " and resid 1686 and name HA )) (( segid " " and resid 1687 and name H )) 3.000 1.100 1.100 peak 94 spectrum 1 weight 0.10000E+01 volume 0.26007E-02 ppm1 4.533 ppm2 8.001 CV 1 ASSI { 95} (( segid " " and resid 1793 and name HG2 )) (( segid " " and resid 1793 and name H )) 2.700 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.35387E-02 ppm1 2.396 ppm2 7.902 CV 1 OR { 95} (( segid " " and resid 1793 and name HG3 )) (( segid " " and resid 1793 and name H )) ASSI { 97} (( segid " " and resid 1687 and name HA )) (( segid " " and resid 1687 and name H )) 2.800 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.21875E-02 ppm1 4.419 ppm2 8.000 CV 1 ASSI { 99} (( segid " " and resid 1687 and name HG )) (( segid " " and resid 1687 and name H )) 4.600 2.600 1.400 peak 99 spectrum 1 weight 0.10000E+01 volume 0.45038E-03 ppm1 1.256 ppm2 8.000 CV 1 ASSI { 100} (( segid " " and resid 1690 and name HD3 )) (( segid " " and resid 1691 and name H )) 3.500 1.600 1.600 peak 100 spectrum 1 weight 0.10000E+01 volume 0.81947E-03 ppm1 3.194 ppm2 8.528 CV 1 OR { 100} (( segid " " and resid 1690 and name HD2 )) (( segid " " and resid 1691 and name H )) ASSI { 102} (( segid " " and resid 1730 and name HD2 )) ( segid " " and resid 1712 and name HD1%) 3.000 1.100 1.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.46527E-02 ppm1 1.497 ppm2 1.022 CV 1 OR { 102} (( segid " " and resid 1730 and name HD2 )) ( segid " " and resid 1712 and name HD2%) ASSI { 103} (( segid " " and resid 1694 and name HA )) (( segid " " and resid 1696 and name H )) 4.500 2.500 1.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.48085E-03 ppm1 4.518 ppm2 8.920 CV 1 ASSI { 107} (( segid " " and resid 1811 and name HB )) (( segid " " and resid 1811 and name HA )) 2.700 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.27666E-02 ppm1 4.330 ppm2 3.637 CV 1 ASSI { 110} ( segid " " and resid 1703 and name HD1%) (( segid " " and resid 1704 and name H )) 3.800 1.800 1.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.56889E-03 ppm1 0.905 ppm2 8.405 CV 1 ASSI { 113} (( segid " " and resid 1746 and name HB )) (( segid " " and resid 1746 and name H )) 2.500 0.800 0.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.44022E-02 ppm1 2.089 ppm2 8.219 CV 1 ASSI { 116} ( segid " " and resid 1753 and name HD2%) (( segid " " and resid 1753 and name HB2 )) 2.200 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.18198E-01 ppm1 0.983 ppm2 1.747 CV 1 ASSI { 119} (( segid " " and resid 1709 and name HA )) ( segid " " and resid 1737 and name HD% ) 3.500 1.600 1.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.50455E-03 ppm1 3.428 ppm2 7.179 CV 1 ASSI { 121} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1737 and name H )) 4.300 2.300 1.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.77884E-03 ppm1 0.258 ppm2 7.339 CV 1 ASSI { 124} (( segid " " and resid 1711 and name HB3 )) (( segid " " and resid 1711 and name HD2 )) 3.500 1.500 1.500 peak 124 spectrum 1 weight 0.10000E+01 volume 0.11479E-02 ppm1 3.264 ppm2 7.185 CV 1 ASSI { 128} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1713 and name H )) 3.500 1.600 1.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.22959E-02 ppm1 0.982 ppm2 7.278 CV 1 ASSI { 129} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1713 and name H )) 3.500 1.500 1.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.28275E-02 ppm1 1.017 ppm2 7.278 CV 1 ASSI { 130} (( segid " " and resid 1713 and name HA )) (( segid " " and resid 1713 and name H )) 2.800 1.000 1.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.23162E-02 ppm1 3.334 ppm2 7.278 CV 1 ASSI { 134} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1734 and name HG3 )) 5.200 3.400 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.38265E-03 ppm1 0.991 ppm2 2.522 CV 1 OR { 134} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1734 and name HG2 )) ASSI { 137} (( segid " " and resid 1715 and name HD2 )) (( segid " " and resid 1713 and name H )) 3.500 1.600 1.600 peak 137 spectrum 1 weight 0.10000E+01 volume 0.55535E-03 ppm1 3.615 ppm2 7.281 CV 1 ASSI { 138} (( segid " " and resid 1715 and name HA )) (( segid " " and resid 1719 and name H )) 4.000 2.000 2.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.55196E-03 ppm1 4.315 ppm2 7.940 CV 1 ASSI { 140} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1775 and name HB3 )) 4.200 2.200 1.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 0.698 ppm2 2.358 CV 1 ASSI { 142} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1734 and name HB2 )) 3.100 1.200 1.200 peak 142 spectrum 1 weight 0.10000E+01 volume 0.17439E-02 ppm1 0.896 ppm2 2.191 CV 1 ASSI { 143} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1716 and name H )) 4.000 2.000 2.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.13951E-02 ppm1 0.701 ppm2 8.096 CV 1 ASSI { 148} (( segid " " and resid 1799 and name HA )) (( segid " " and resid 1803 and name H )) 3.400 1.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.11919E-02 ppm1 4.234 ppm2 8.358 CV 1 ASSI { 149} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1723 and name HB3 )) 3.600 1.700 1.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.19234E-02 ppm1 1.468 ppm2 2.137 CV 1 ASSI { 151} (( segid " " and resid 1720 and name HA )) (( segid " " and resid 1784 and name H )) 2.800 1.000 1.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.28953E-02 ppm1 3.838 ppm2 8.468 CV 1 ASSI { 152} (( segid " " and resid 1726 and name HG3 )) (( segid " " and resid 1726 and name H )) 2.800 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.21097E-02 ppm1 2.465 ppm2 7.762 CV 1 ASSI { 153} (( segid " " and resid 1727 and name HG )) (( segid " " and resid 1730 and name HD3 )) 4.300 2.300 1.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.83641E-03 ppm1 1.353 ppm2 1.689 CV 1 OR { 153} (( segid " " and resid 1727 and name HG )) (( segid " " and resid 1730 and name HB3 )) ASSI { 155} (( segid " " and resid 1728 and name HA3 )) (( segid " " and resid 1660 and name HB2 )) 3.900 1.900 1.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.99557E-03 ppm1 3.806 ppm2 2.108 CV 1 ASSI { 156} (( segid " " and resid 1729 and name HB2 )) (( segid " " and resid 1730 and name HD3 )) 3.400 1.500 1.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.62308E-03 ppm1 3.250 ppm2 1.737 CV 1 OR { 156} (( segid " " and resid 1729 and name HB2 )) (( segid " " and resid 1730 and name HG2 )) ASSI { 157} ( segid " " and resid 1746 and name HG1%) (( segid " " and resid 1746 and name H )) 2.900 1.100 1.100 peak 157 spectrum 1 weight 0.10000E+01 volume 0.94276E-02 ppm1 1.040 ppm2 8.215 CV 1 ASSI { 158} ( segid " " and resid 1735 and name HB% ) ( segid " " and resid 1668 and name HD2%) 3.400 1.400 1.400 peak 158 spectrum 1 weight 0.10000E+01 volume 0.19607E-02 ppm1 1.442 ppm2 0.367 CV 1 ASSI { 159} (( segid " " and resid 1737 and name HB2 )) ( segid " " and resid 1737 and name HD% ) 2.600 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.21232E-02 ppm1 3.091 ppm2 7.177 CV 1 ASSI { 161} (( segid " " and resid 1737 and name HA )) ( segid " " and resid 1737 and name HD% ) 2.400 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.42701E-02 ppm1 4.354 ppm2 7.176 CV 1 ASSI { 162} (( segid " " and resid 1738 and name HB3 )) (( segid " " and resid 1742 and name HB )) 3.900 1.900 1.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.49778E-03 ppm1 3.394 ppm2 4.457 CV 1 ASSI { 164} (( segid " " and resid 1739 and name HA )) (( segid " " and resid 1741 and name H )) 4.600 2.600 1.400 peak 164 spectrum 1 weight 0.10000E+01 volume 0.19302E-03 ppm1 4.417 ppm2 7.436 CV 1 ASSI { 166} (( segid " " and resid 1739 and name HG3 )) (( segid " " and resid 1743 and name HG )) 3.600 1.600 1.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.84655E-03 ppm1 2.192 ppm2 1.708 CV 1 ASSI { 170} ( segid " " and resid 1745 and name HB% ) (( segid " " and resid 1702 and name HG3 )) 4.300 2.400 1.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.72128E-03 ppm1 1.561 ppm2 2.360 CV 1 OR { 170} ( segid " " and resid 1745 and name HB% ) (( segid " " and resid 1702 and name HB2 )) ASSI { 171} ( segid " " and resid 1745 and name HB% ) (( segid " " and resid 1762 and name HA )) 3.000 1.100 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.99217E-03 ppm1 1.560 ppm2 3.957 CV 1 ASSI { 172} (( segid " " and resid 1746 and name HA )) (( segid " " and resid 1746 and name H )) 2.600 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.26007E-02 ppm1 3.493 ppm2 8.215 CV 1 ASSI { 173} ( segid " " and resid 1746 and name HG2%) (( segid " " and resid 1746 and name H )) 2.500 2.500 3.500 peak 173 spectrum 1 weight 0.10000E+01 volume 0.30544E-02 ppm1 0.978 ppm2 8.216 CV 1 ASSI { 175} (( segid " " and resid 1747 and name HA3 )) (( segid " " and resid 1748 and name HA )) 3.700 1.700 1.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.90412E-03 ppm1 3.729 ppm2 4.051 CV 1 OR { 175} (( segid " " and resid 1747 and name HA2 )) (( segid " " and resid 1748 and name HA )) ASSI { 177} (( segid " " and resid 1747 and name HA3 )) (( segid " " and resid 1746 and name H )) 4.600 2.700 1.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.53503E-03 ppm1 3.741 ppm2 8.219 CV 1 OR { 177} (( segid " " and resid 1747 and name HA2 )) (( segid " " and resid 1746 and name H )) ASSI { 179} (( segid " " and resid 1748 and name HA )) (( segid " " and resid 1758 and name HG2 )) 4.300 2.300 1.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.80593E-03 ppm1 4.067 ppm2 2.510 CV 1 ASSI { 181} (( segid " " and resid 1748 and name HA )) ( segid " " and resid 1752 and name HG2%) 3.700 1.700 1.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.14087E-02 ppm1 4.067 ppm2 1.337 CV 1 ASSI { 184} (( segid " " and resid 1777 and name HA )) (( segid " " and resid 1780 and name H )) 3.100 1.200 1.200 peak 184 spectrum 1 weight 0.10000E+01 volume 0.14900E-02 ppm1 4.216 ppm2 8.419 CV 1 ASSI { 186} (( segid " " and resid 1750 and name HA )) (( segid " " and resid 1750 and name HB2 )) 3.000 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.20216E-02 ppm1 4.048 ppm2 4.213 CV 1 OR { 186} (( segid " " and resid 1750 and name HA )) (( segid " " and resid 1750 and name HB3 )) ASSI { 188} (( segid " " and resid 1752 and name HB )) (( segid " " and resid 1758 and name HG2 )) 4.700 2.800 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.61630E-03 ppm1 4.325 ppm2 2.504 CV 1 ASSI { 189} (( segid " " and resid 1752 and name HB )) (( segid " " and resid 1758 and name HB2 )) 3.400 1.400 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.52826E-03 ppm1 4.329 ppm2 2.396 CV 1 ASSI { 193} ( segid " " and resid 1813 and name HG2%) ( segid " " and resid 1810 and name HD1%) 3.000 1.100 1.100 peak 193 spectrum 1 weight 0.10000E+01 volume 0.67014E-02 ppm1 1.073 ppm2 0.990 CV 1 ASSI { 194} ( segid " " and resid 1813 and name HG2%) (( segid " " and resid 1762 and name H )) 3.200 1.300 1.300 peak 194 spectrum 1 weight 0.10000E+01 volume 0.66709E-03 ppm1 1.074 ppm2 7.406 CV 1 ASSI { 196} (( segid " " and resid 1702 and name HB2 )) (( segid " " and resid 1702 and name HB3 )) 2.000 0.500 0.500 peak 196 spectrum 1 weight 0.10000E+01 volume 0.81307E-02 ppm1 2.336 ppm2 1.982 CV 1 OR { 196} (( segid " " and resid 1702 and name HG3 )) (( segid " " and resid 1702 and name HB3 )) OR { 196} (( segid " " and resid 1702 and name HB2 )) ( segid " " and resid 1702 and name HE% ) ASSI { 197} (( segid " " and resid 1701 and name HG2 )) (( segid " " and resid 1701 and name HE22)) 4.200 2.200 1.800 peak 197 spectrum 1 weight 0.10000E+01 volume 0.75850E-03 ppm1 2.622 ppm2 6.534 CV 1 ASSI { 198} (( segid " " and resid 1677 and name HG2 )) (( segid " " and resid 1677 and name H )) 2.600 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.31932E-02 ppm1 2.589 ppm2 8.258 CV 1 ASSI { 199} (( segid " " and resid 1659 and name HB3 )) ( segid " " and resid 1659 and name HD2%) 2.600 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.54113E-02 ppm1 1.601 ppm2 0.893 CV 1 OR { 199} (( segid " " and resid 1659 and name HB3 )) ( segid " " and resid 1659 and name HD1%) ASSI { 201} (( segid " " and resid 1751 and name HE3 )) (( segid " " and resid 1695 and name HG2 )) 3.300 1.400 1.400 peak 201 spectrum 1 weight 0.10000E+01 volume 0.17676E-02 ppm1 3.046 ppm2 2.079 CV 1 ASSI { 202} (( segid " " and resid 1751 and name HE3 )) (( segid " " and resid 1751 and name HA )) 3.500 1.600 1.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.13951E-02 ppm1 3.043 ppm2 4.422 CV 1 OR { 202} (( segid " " and resid 1751 and name HE2 )) (( segid " " and resid 1751 and name HA )) ASSI { 205} (( segid " " and resid 1738 and name HB2 )) (( segid " " and resid 1739 and name HA )) 4.100 2.100 1.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.50794E-03 ppm1 3.137 ppm2 4.450 CV 1 ASSI { 209} (( segid " " and resid 1670 and name HB3 )) (( segid " " and resid 1669 and name H )) 4.800 2.800 1.200 peak 209 spectrum 1 weight 0.10000E+01 volume 0.44360E-03 ppm1 4.095 ppm2 8.668 CV 1 ASSI { 211} (( segid " " and resid 1671 and name HB2 )) (( segid " " and resid 1742 and name HB )) 3.500 1.500 1.500 peak 211 spectrum 1 weight 0.10000E+01 volume 0.98543E-03 ppm1 3.246 ppm2 4.459 CV 1 OR { 211} (( segid " " and resid 1671 and name HB3 )) (( segid " " and resid 1742 and name HB )) ASSI { 212} (( segid " " and resid 1671 and name HA )) (( segid " " and resid 1675 and name HA )) 4.200 2.200 1.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 4.356 ppm2 4.017 CV 1 ASSI { 213} (( segid " " and resid 1712 and name HA )) (( segid " " and resid 1713 and name H )) 3.300 1.300 1.300 peak 213 spectrum 1 weight 0.10000E+01 volume 0.97522E-03 ppm1 4.406 ppm2 7.280 CV 1 ASSI { 214} (( segid " " and resid 1712 and name HB3 )) (( segid " " and resid 1713 and name H )) 4.300 2.300 1.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.52148E-03 ppm1 1.647 ppm2 7.284 CV 1 ASSI { 217} (( segid " " and resid 1715 and name HG2 )) (( segid " " and resid 1713 and name H )) 4.500 2.600 1.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.32847E-03 ppm1 2.368 ppm2 7.277 CV 1 ASSI { 223} (( segid " " and resid 1788 and name HB2 )) (( segid " " and resid 1653 and name HA )) 3.300 1.400 1.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.14426E-02 ppm1 2.308 ppm2 4.688 CV 1 ASSI { 224} (( segid " " and resid 1791 and name HA )) (( segid " " and resid 1792 and name H )) 3.400 1.500 1.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.10057E-02 ppm1 4.618 ppm2 7.355 CV 1 ASSI { 225} (( segid " " and resid 1791 and name HA )) (( segid " " and resid 1793 and name H )) 4.000 2.000 2.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.47070E-03 ppm1 4.621 ppm2 7.908 CV 1 ASSI { 227} (( segid " " and resid 1786 and name HA )) ( segid " " and resid 1722 and name HB% ) 4.400 2.400 1.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.59260E-03 ppm1 4.587 ppm2 1.393 CV 1 ASSI { 228} (( segid " " and resid 1786 and name HA )) (( segid " " and resid 1793 and name HE22)) 4.200 2.200 1.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.34879E-03 ppm1 4.579 ppm2 6.695 CV 1 ASSI { 229} ( segid " " and resid 1773 and name HD2%) (( segid " " and resid 1773 and name H )) 4.100 2.100 1.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.17134E-02 ppm1 0.831 ppm2 8.139 CV 1 ASSI { 232} ( segid " " and resid 1773 and name HD2%) (( segid " " and resid 1669 and name HD22)) 3.800 1.800 1.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.48424E-03 ppm1 0.833 ppm2 7.224 CV 1 ASSI { 233} ( segid " " and resid 1773 and name HD2%) ( segid " " and resid 1777 and name HD% ) 4.600 2.700 1.400 peak 233 spectrum 1 weight 0.10000E+01 volume 0.46731E-03 ppm1 0.837 ppm2 7.184 CV 1 ASSI { 235} ( segid " " and resid 1773 and name HD2%) (( segid " " and resid 1665 and name HA )) 3.600 1.600 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.26650E-02 ppm1 0.831 ppm2 3.393 CV 1 ASSI { 236} ( segid " " and resid 1773 and name HD2%) (( segid " " and resid 1669 and name HB3 )) 3.800 1.800 1.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.26751E-03 ppm1 0.832 ppm2 3.000 CV 1 ASSI { 238} ( segid " " and resid 1773 and name HD2%) ( segid " " and resid 1668 and name HD1%) 3.800 1.800 1.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.19572E-02 ppm1 0.828 ppm2 0.225 CV 1 ASSI { 239} ( segid " " and resid 1773 and name HD2%) ( segid " " and resid 1665 and name HD1%) 3.400 1.400 1.400 peak 239 spectrum 1 weight 0.10000E+01 volume 0.26311E-02 ppm1 0.833 ppm2 0.461 CV 1 ASSI { 242} ( segid " " and resid 1761 and name HD2%) ( segid " " and resid 1702 and name HE% ) 3.200 1.300 1.300 peak 242 spectrum 1 weight 0.10000E+01 volume 0.46832E-02 ppm1 0.845 ppm2 1.998 CV 1 ASSI { 244} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1746 and name H )) 3.800 1.800 1.800 peak 244 spectrum 1 weight 0.10000E+01 volume 0.80252E-03 ppm1 0.754 ppm2 8.221 CV 1 ASSI { 245} ( segid " " and resid 1727 and name HD2%) (( segid " " and resid 1783 and name H )) 3.800 1.800 1.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.13646E-02 ppm1 0.760 ppm2 8.569 CV 1 ASSI { 246} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1687 and name HG )) 3.000 3.000 3.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.90412E-03 ppm1 0.755 ppm2 1.268 CV 1 ASSI { 248} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1742 and name HB )) 3.300 1.300 1.300 peak 248 spectrum 1 weight 0.10000E+01 volume 0.56551E-03 ppm1 1.131 ppm2 4.454 CV 1 ASSI { 250} (( segid " " and resid 1766 and name HE3 )) ( segid " " and resid 1672 and name HD2%) 4.600 2.600 1.400 peak 250 spectrum 1 weight 0.10000E+01 volume 0.34202E-03 ppm1 2.932 ppm2 0.912 CV 1 ASSI { 251} (( segid " " and resid 1766 and name HE3 )) (( segid " " and resid 1770 and name HG2 )) 4.700 2.800 1.300 peak 251 spectrum 1 weight 0.10000E+01 volume 0.25735E-03 ppm1 2.945 ppm2 2.578 CV 1 OR { 251} (( segid " " and resid 1766 and name HE2 )) (( segid " " and resid 1770 and name HG2 )) ASSI { 253} (( segid " " and resid 1766 and name HA )) (( segid " " and resid 1765 and name HB )) 3.200 1.300 1.300 peak 253 spectrum 1 weight 0.10000E+01 volume 0.20148E-02 ppm1 3.861 ppm2 4.229 CV 1 ASSI { 255} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1809 and name HB3 )) 6.000 5.700 0.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.40635E-04 ppm1 1.060 ppm2 2.608 CV 1 ASSI { 258} (( segid " " and resid 1771 and name HA )) (( segid " " and resid 1774 and name H )) 3.700 1.700 1.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.67048E-03 ppm1 4.330 ppm2 7.612 CV 1 ASSI { 262} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1774 and name H )) 4.400 2.400 1.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.51810E-03 ppm1 1.281 ppm2 7.633 CV 1 ASSI { 264} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1777 and name H )) 5.800 4.300 0.200 peak 264 spectrum 1 weight 0.10000E+01 volume 0.77884E-04 ppm1 1.275 ppm2 8.889 CV 1 ASSI { 271} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1668 and name HB3 )) 3.300 1.400 1.400 peak 271 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 0.798 ppm2 1.794 CV 1 ASSI { 272} ( segid " " and resid 1776 and name HD1%) ( segid " " and resid 1731 and name HG2%) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.19268E-02 ppm1 0.792 ppm2 1.112 CV 1 ASSI { 273} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1776 and name H )) 4.600 2.600 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.38603E-03 ppm1 1.271 ppm2 8.707 CV 1 ASSI { 275} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1778 and name HB )) 2.100 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.14409E-01 ppm1 1.270 ppm2 4.095 CV 1 OR { 275} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1778 and name HA )) ASSI { 277} (( segid " " and resid 1778 and name HA )) (( segid " " and resid 1781 and name HG3 )) 3.700 1.700 1.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.78898E-03 ppm1 4.066 ppm2 2.359 CV 1 OR { 277} (( segid " " and resid 1778 and name HA )) (( segid " " and resid 1781 and name HG2 )) ASSI { 278} (( segid " " and resid 1779 and name HA )) (( segid " " and resid 1783 and name H )) 3.400 1.500 1.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.78565E-03 ppm1 3.954 ppm2 8.574 CV 1 ASSI { 280} (( segid " " and resid 1780 and name HD2 )) (( segid " " and resid 1658 and name HG2 )) 3.400 3.400 2.600 peak 280 spectrum 1 weight 0.10000E+01 volume 0.43006E-03 ppm1 1.573 ppm2 2.281 CV 1 ASSI { 286} ( segid " " and resid 1782 and name HB% ) (( segid " " and resid 1793 and name HE22)) 3.300 1.400 1.400 peak 286 spectrum 1 weight 0.10000E+01 volume 0.19166E-02 ppm1 1.499 ppm2 6.707 CV 1 ASSI { 287} (( segid " " and resid 1782 and name HA )) (( segid " " and resid 1783 and name H )) 3.300 1.400 1.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.11310E-02 ppm1 4.031 ppm2 8.572 CV 1 ASSI { 288} (( segid " " and resid 1783 and name HA3 )) (( segid " " and resid 1658 and name HE21)) 3.800 1.800 1.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.44022E-03 ppm1 3.790 ppm2 8.015 CV 1 ASSI { 290} (( segid " " and resid 1783 and name HA3 )) (( segid " " and resid 1784 and name H )) 4.900 3.000 1.100 peak 290 spectrum 1 weight 0.10000E+01 volume 0.34879E-03 ppm1 3.782 ppm2 8.468 CV 1 ASSI { 294} ( segid " " and resid 1789 and name HB% ) (( segid " " and resid 1790 and name H )) 3.400 1.500 1.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.95835E-03 ppm1 1.488 ppm2 8.418 CV 1 ASSI { 296} ( segid " " and resid 1792 and name HG2%) (( segid " " and resid 1786 and name HA )) 6.000 6.000 0.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.20318E-04 ppm1 1.219 ppm2 4.565 CV 1 ASSI { 297} ( segid " " and resid 1792 and name HG2%) (( segid " " and resid 1792 and name HB )) 2.000 0.500 0.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.17585E-01 ppm1 1.215 ppm2 4.201 CV 1 OR { 297} ( segid " " and resid 1792 and name HG2%) (( segid " " and resid 1792 and name HA )) ASSI { 298} ( segid " " and resid 1792 and name HG2%) (( segid " " and resid 1721 and name HB3 )) 3.900 1.900 1.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.12123E-02 ppm1 1.210 ppm2 1.844 CV 1 OR { 298} ( segid " " and resid 1792 and name HG2%) (( segid " " and resid 1721 and name HB2 )) ASSI { 302} (( segid " " and resid 1792 and name HB )) (( segid " " and resid 1793 and name H )) 3.200 1.300 1.300 peak 302 spectrum 1 weight 0.10000E+01 volume 0.15407E-02 ppm1 4.211 ppm2 7.900 CV 1 ASSI { 303} ( segid " " and resid 1792 and name HG2%) (( segid " " and resid 1793 and name H )) 3.200 1.300 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.11547E-02 ppm1 1.215 ppm2 7.921 CV 1 ASSI { 309} (( segid " " and resid 1807 and name HA )) (( segid " " and resid 1710 and name HB3 )) 5.000 3.200 1.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.55196E-03 ppm1 3.541 ppm2 4.051 CV 1 OR { 309} (( segid " " and resid 1807 and name HA )) (( segid " " and resid 1710 and name HA )) ASSI { 310} ( segid " " and resid 1811 and name HG2%) (( segid " " and resid 1815 and name HD22)) 2.500 0.800 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.39518E-02 ppm1 1.168 ppm2 6.705 CV 1 ASSI { 313} (( segid " " and resid 1811 and name HB )) (( segid " " and resid 1814 and name HB3 )) 5.600 3.900 0.400 peak 313 spectrum 1 weight 0.10000E+01 volume 0.30138E-03 ppm1 4.324 ppm2 1.974 CV 1 ASSI { 315} (( segid " " and resid 1813 and name HB )) (( segid " " and resid 1762 and name H )) 3.500 3.500 2.500 peak 315 spectrum 1 weight 0.10000E+01 volume 0.35556E-03 ppm1 4.399 ppm2 7.414 CV 1 ASSI { 316} (( segid " " and resid 1656 and name HA )) (( segid " " and resid 1659 and name HB2 )) 4.000 2.000 2.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.51810E-03 ppm1 4.440 ppm2 1.628 CV 1 ASSI { 317} (( segid " " and resid 1661 and name HB2 )) (( segid " " and resid 1665 and name HG13)) 5.400 3.700 0.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.11174E-03 ppm1 3.298 ppm2 0.626 CV 1 ASSI { 318} (( segid " " and resid 1661 and name HB3 )) (( segid " " and resid 1660 and name HB2 )) 4.300 2.300 1.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.61292E-03 ppm1 2.462 ppm2 2.068 CV 1 ASSI { 319} ( segid " " and resid 1667 and name HB% ) (( segid " " and resid 1667 and name HA )) 2.200 0.600 0.600 peak 319 spectrum 1 weight 0.10000E+01 volume 0.15123E-01 ppm1 1.640 ppm2 4.266 CV 1 ASSI { 320} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1669 and name HB2 )) 5.900 4.300 0.100 peak 320 spectrum 1 weight 0.10000E+01 volume 0.14900E-03 ppm1 0.223 ppm2 2.691 CV 1 ASSI { 321} (( segid " " and resid 1677 and name HA )) (( segid " " and resid 1681 and name H )) 3.400 1.500 1.500 peak 321 spectrum 1 weight 0.10000E+01 volume 0.11310E-02 ppm1 4.064 ppm2 7.902 CV 1 ASSI { 324} (( segid " " and resid 1764 and name HA )) ( segid " " and resid 1767 and name HG2%) 3.900 1.900 1.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 4.191 ppm2 1.316 CV 1 ASSI { 326} (( segid " " and resid 1734 and name HB2 )) (( segid " " and resid 1730 and name HB3 )) 4.100 2.100 1.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.56212E-03 ppm1 2.200 ppm2 1.652 CV 1 ASSI { 327} (( segid " " and resid 1734 and name HG2 )) ( segid " " and resid 1737 and name HD% ) 4.700 2.800 1.300 peak 327 spectrum 1 weight 0.10000E+01 volume 0.30138E-03 ppm1 2.496 ppm2 7.166 CV 1 OR { 327} (( segid " " and resid 1734 and name HG3 )) ( segid " " and resid 1737 and name HD% ) ASSI { 333} (( segid " " and resid 1742 and name HA )) (( segid " " and resid 1766 and name HB3 )) 5.600 4.000 0.400 peak 333 spectrum 1 weight 0.10000E+01 volume 0.19641E-03 ppm1 3.711 ppm2 2.200 CV 1 ASSI { 334} (( segid " " and resid 1758 and name HA )) (( segid " " and resid 1748 and name HA )) 3.500 1.500 1.500 peak 334 spectrum 1 weight 0.10000E+01 volume 0.16322E-02 ppm1 3.810 ppm2 4.068 CV 1 ASSI { 335} (( segid " " and resid 1759 and name HG2 )) (( segid " " and resid 1760 and name H )) 4.200 2.200 1.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.88044E-03 ppm1 2.418 ppm2 7.995 CV 1 ASSI { 337} (( segid " " and resid 1652 and name HA )) (( segid " " and resid 1650 and name HG13)) 3.800 1.800 1.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.46054E-03 ppm1 4.369 ppm2 1.454 CV 1 ASSI { 338} (( segid " " and resid 1672 and name HG )) (( segid " " and resid 1673 and name H )) 4.400 2.400 1.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.44360E-03 ppm1 1.628 ppm2 7.771 CV 1 ASSI { 340} ( segid " " and resid 1668 and name HD2%) ( segid " " and resid 1738 and name HE% ) 4.000 2.000 2.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.77544E-03 ppm1 0.362 ppm2 7.083 CV 1 ASSI { 341} ( segid " " and resid 1668 and name HD2%) ( segid " " and resid 1777 and name HE% ) 6.000 5.700 0.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.91432E-04 ppm1 0.364 ppm2 6.793 CV 1 ASSI { 342} ( segid " " and resid 1803 and name HE% ) ( segid " " and resid 1768 and name HD2%) 2.700 0.900 0.900 peak 342 spectrum 1 weight 0.10000E+01 volume 0.64271E-02 ppm1 2.059 ppm2 0.905 CV 1 ASSI { 344} (( segid " " and resid 1810 and name HG )) ( segid " " and resid 1814 and name HD2%) 3.000 1.100 1.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.43107E-02 ppm1 1.599 ppm2 0.807 CV 1 ASSI { 346} (( segid " " and resid 1659 and name HG )) (( segid " " and resid 1661 and name H )) 3.500 1.600 1.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.12969E-02 ppm1 1.601 ppm2 8.180 CV 1 ASSI { 348} (( segid " " and resid 1679 and name HB2 )) (( segid " " and resid 1682 and name H )) 4.200 2.200 1.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.76190E-03 ppm1 4.132 ppm2 8.767 CV 1 ASSI { 349} (( segid " " and resid 1699 and name HB2 )) (( segid " " and resid 1815 and name HD22)) 4.400 2.400 1.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.44360E-03 ppm1 3.337 ppm2 6.710 CV 1 ASSI { 350} (( segid " " and resid 1699 and name HB3 )) (( segid " " and resid 1815 and name HD22)) 4.500 2.500 1.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.40296E-03 ppm1 3.213 ppm2 6.712 CV 1 ASSI { 352} (( segid " " and resid 1788 and name HG3 )) (( segid " " and resid 1788 and name H )) 3.600 1.600 1.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.10497E-02 ppm1 2.464 ppm2 7.947 CV 1 ASSI { 353} (( segid " " and resid 1757 and name HG3 )) (( segid " " and resid 1757 and name HE22)) 4.900 3.000 1.100 peak 353 spectrum 1 weight 0.10000E+01 volume 0.31831E-03 ppm1 2.393 ppm2 6.919 CV 1 OR { 353} (( segid " " and resid 1757 and name HG2 )) (( segid " " and resid 1757 and name HE22)) ASSI { 356} ( segid " " and resid 1717 and name HB% ) ( segid " " and resid 1800 and name HG1%) 2.200 0.600 0.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.17619E-01 ppm1 1.458 ppm2 0.983 CV 1 ASSI { 359} (( segid " " and resid 1819 and name HA )) (( segid " " and resid 1819 and name HB2 )) 2.300 0.600 0.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.12401E-01 ppm1 4.420 ppm2 3.941 CV 1 OR { 359} (( segid " " and resid 1819 and name HA )) (( segid " " and resid 1819 and name HB3 )) ASSI { 362} (( segid " " and resid 1732 and name HB2 )) (( segid " " and resid 1732 and name H )) 2.400 0.700 0.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.58142E-02 ppm1 3.999 ppm2 7.994 CV 1 ASSI { 364} (( segid " " and resid 1710 and name HB3 )) (( segid " " and resid 1710 and name H )) 2.500 0.800 0.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.41516E-02 ppm1 4.058 ppm2 8.472 CV 1 ASSI { 366} (( segid " " and resid 1803 and name HA )) (( segid " " and resid 1803 and name H )) 2.800 0.900 0.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.24110E-02 ppm1 4.348 ppm2 8.348 CV 1 ASSI { 368} (( segid " " and resid 1729 and name HA )) (( segid " " and resid 1729 and name H )) 2.800 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.32779E-02 ppm1 4.479 ppm2 7.925 CV 1 ASSI { 369} (( segid " " and resid 1718 and name HB3 )) (( segid " " and resid 1718 and name H )) 2.600 0.800 0.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.39552E-02 ppm1 3.969 ppm2 8.903 CV 1 ASSI { 370} (( segid " " and resid 1718 and name HB2 )) (( segid " " and resid 1718 and name H )) 2.700 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.40025E-02 ppm1 3.914 ppm2 8.903 CV 1 ASSI { 371} (( segid " " and resid 1763 and name HA )) (( segid " " and resid 1763 and name H )) 2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.33016E-02 ppm1 4.421 ppm2 9.195 CV 1 ASSI { 377} (( segid " " and resid 1710 and name HB2 )) (( segid " " and resid 1711 and name H )) 3.700 1.700 1.700 peak 377 spectrum 1 weight 0.10000E+01 volume 0.14900E-02 ppm1 4.001 ppm2 7.633 CV 1 ASSI { 378} (( segid " " and resid 1718 and name HB3 )) (( segid " " and resid 1719 and name H )) 2.800 1.000 1.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.20995E-02 ppm1 3.973 ppm2 7.938 CV 1 ASSI { 380} (( segid " " and resid 1819 and name HA )) (( segid " " and resid 1820 and name H )) 3.300 1.400 1.400 peak 380 spectrum 1 weight 0.10000E+01 volume 0.12462E-02 ppm1 4.422 ppm2 7.943 CV 1 ASSI { 381} (( segid " " and resid 1718 and name HB3 )) (( segid " " and resid 1715 and name HA )) 2.700 0.900 0.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.28411E-02 ppm1 3.969 ppm2 4.318 CV 1 ASSI { 382} (( segid " " and resid 1718 and name HB2 )) (( segid " " and resid 1715 and name HA )) 3.200 1.200 1.200 peak 382 spectrum 1 weight 0.10000E+01 volume 0.29122E-02 ppm1 3.913 ppm2 4.317 CV 1 ASSI { 383} (( segid " " and resid 1754 and name HB3 )) (( segid " " and resid 1754 and name HB2 )) 2.000 0.500 0.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.87737E-02 ppm1 3.843 ppm2 3.968 CV 1 ASSI { 385} (( segid " " and resid 1729 and name HA )) (( segid " " and resid 1729 and name HB2 )) 2.700 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.51946E-02 ppm1 4.479 ppm2 3.235 CV 1 ASSI { 386} (( segid " " and resid 1729 and name HA )) (( segid " " and resid 1729 and name HB3 )) 2.600 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.42261E-02 ppm1 4.480 ppm2 3.185 CV 1 ASSI { 387} (( segid " " and resid 1763 and name HA )) (( segid " " and resid 1763 and name HB2 )) 2.600 0.900 0.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.36131E-02 ppm1 4.422 ppm2 2.851 CV 1 ASSI { 389} (( segid " " and resid 1763 and name HA )) (( segid " " and resid 1763 and name HB3 )) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.48694E-02 ppm1 4.420 ppm2 2.665 CV 1 ASSI { 391} (( segid " " and resid 1763 and name HA )) (( segid " " and resid 1766 and name HB3 )) 2.600 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.35928E-02 ppm1 4.422 ppm2 2.193 CV 1 ASSI { 392} (( segid " " and resid 1803 and name HA )) (( segid " " and resid 1803 and name HB2 )) 2.700 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.28275E-02 ppm1 4.348 ppm2 2.125 CV 1 ASSI { 393} (( segid " " and resid 1803 and name HA )) (( segid " " and resid 1803 and name HB3 )) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.39484E-02 ppm1 4.348 ppm2 2.059 CV 1 OR { 393} (( segid " " and resid 1803 and name HA )) ( segid " " and resid 1803 and name HE% ) ASSI { 394} (( segid " " and resid 1763 and name HA )) (( segid " " and resid 1766 and name HB2 )) 2.800 1.000 1.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.22553E-02 ppm1 4.420 ppm2 1.923 CV 1 ASSI { 395} (( segid " " and resid 1693 and name HA )) (( segid " " and resid 1693 and name HB )) 2.400 0.700 0.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.64441E-02 ppm1 4.427 ppm2 1.747 CV 1 ASSI { 396} (( segid " " and resid 1684 and name HB3 )) (( segid " " and resid 1686 and name HG3 )) 3.100 1.200 1.200 peak 396 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 3.982 ppm2 2.366 CV 1 OR { 396} (( segid " " and resid 1684 and name HB2 )) (( segid " " and resid 1686 and name HG3 )) ASSI { 399} (( segid " " and resid 1754 and name HB2 )) (( segid " " and resid 1757 and name HB2 )) 3.000 3.000 3.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.17981E-02 ppm1 3.970 ppm2 2.127 CV 1 OR { 399} (( segid " " and resid 1754 and name HB2 )) (( segid " " and resid 1757 and name HB3 )) ASSI { 401} (( segid " " and resid 1693 and name HA )) (( segid " " and resid 1693 and name HG13)) 2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.22553E-02 ppm1 4.427 ppm2 1.279 CV 1 ASSI { 402} (( segid " " and resid 1693 and name HA )) (( segid " " and resid 1693 and name HG12)) 3.000 1.100 1.100 peak 402 spectrum 1 weight 0.10000E+01 volume 0.57736E-02 ppm1 4.427 ppm2 1.518 CV 1 ASSI { 404} (( segid " " and resid 1710 and name HB3 )) ( segid " " and resid 1807 and name HG2%) 3.800 1.800 1.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.19302E-02 ppm1 4.058 ppm2 1.063 CV 1 ASSI { 405} (( segid " " and resid 1710 and name HB2 )) ( segid " " and resid 1807 and name HG2%) 2.700 0.900 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.23129E-02 ppm1 4.001 ppm2 1.066 CV 1 ASSI { 406} (( segid " " and resid 1710 and name HB3 )) ( segid " " and resid 1713 and name HD1%) 3.800 1.800 1.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.17676E-02 ppm1 4.056 ppm2 1.010 CV 1 ASSI { 407} (( segid " " and resid 1710 and name HB2 )) ( segid " " and resid 1713 and name HD1%) 3.100 1.200 1.200 peak 407 spectrum 1 weight 0.10000E+01 volume 0.21265E-02 ppm1 4.000 ppm2 1.011 CV 1 ASSI { 410} (( segid " " and resid 1693 and name HA )) ( segid " " and resid 1693 and name HG2%) 3.000 1.100 1.100 peak 410 spectrum 1 weight 0.10000E+01 volume 0.37655E-02 ppm1 4.427 ppm2 0.795 CV 1 ASSI { 411} (( segid " " and resid 1679 and name HB3 )) ( segid " " and resid 1762 and name HD2%) 3.900 1.900 1.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.16288E-02 ppm1 3.994 ppm2 0.779 CV 1 ASSI { 412} (( segid " " and resid 1679 and name HB3 )) ( segid " " and resid 1759 and name HE% ) 3.900 1.900 1.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.13410E-02 ppm1 3.992 ppm2 2.010 CV 1 ASSI { 414} (( segid " " and resid 1732 and name HB3 )) (( segid " " and resid 1733 and name HG3 )) 3.600 1.600 1.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.72801E-03 ppm1 3.934 ppm2 2.230 CV 1 OR { 414} (( segid " " and resid 1732 and name HB3 )) (( segid " " and resid 1733 and name HB2 )) ASSI { 415} (( segid " " and resid 1674 and name HA )) (( segid " " and resid 1673 and name HB2 )) 3.500 1.500 1.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 4.468 ppm2 2.094 CV 1 OR { 415} (( segid " " and resid 1674 and name HA )) (( segid " " and resid 1673 and name HB3 )) ASSI { 416} (( segid " " and resid 1803 and name HA )) ( segid " " and resid 1768 and name HD1%) 3.000 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 4.348 ppm2 1.059 CV 1 ASSI { 417} (( segid " " and resid 1763 and name HA )) (( segid " " and resid 1764 and name H )) 3.400 1.500 1.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 4.420 ppm2 8.844 CV 1 ASSI { 418} (( segid " " and resid 1763 and name HA )) (( segid " " and resid 1766 and name H )) 3.200 1.300 1.300 peak 418 spectrum 1 weight 0.10000E+01 volume 0.12733E-02 ppm1 4.422 ppm2 8.640 CV 1 ASSI { 419} (( segid " " and resid 1789 and name HA )) ( segid " " and resid 1789 and name HB% ) 2.200 0.600 0.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.11706E-01 ppm1 4.264 ppm2 1.492 CV 1 ASSI { 420} (( segid " " and resid 1818 and name HA )) ( segid " " and resid 1818 and name HB% ) 2.200 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.15448E-01 ppm1 4.270 ppm2 1.427 CV 1 ASSI { 421} (( segid " " and resid 1817 and name HA )) ( segid " " and resid 1817 and name HB% ) 2.100 0.500 0.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.15543E-01 ppm1 4.195 ppm2 1.318 CV 1 ASSI { 422} (( segid " " and resid 1818 and name HA )) ( segid " " and resid 1817 and name HB% ) 3.700 1.700 1.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.87703E-03 ppm1 4.271 ppm2 1.320 CV 1 ASSI { 423} (( segid " " and resid 1818 and name HA )) (( segid " " and resid 1818 and name H )) 2.600 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.51946E-02 ppm1 4.270 ppm2 7.909 CV 1 ASSI { 425} ( segid " " and resid 1681 and name HB% ) ( segid " " and resid 1687 and name HD2%) 2.300 0.700 0.700 peak 425 spectrum 1 weight 0.10000E+01 volume 0.72774E-02 ppm1 1.402 ppm2 0.964 CV 1 ASSI { 426} ( segid " " and resid 1735 and name HB% ) (( segid " " and resid 1735 and name HA )) 2.200 0.600 0.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.11364E-01 ppm1 1.439 ppm2 3.561 CV 1 ASSI { 427} ( segid " " and resid 1688 and name HB% ) (( segid " " and resid 1689 and name HD3 )) 3.100 1.200 1.200 peak 427 spectrum 1 weight 0.10000E+01 volume 0.72835E-02 ppm1 1.342 ppm2 3.648 CV 1 ASSI { 428} ( segid " " and resid 1655 and name HB% ) (( segid " " and resid 1656 and name HD3 )) 2.700 0.900 0.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.85873E-02 ppm1 1.450 ppm2 3.899 CV 1 ASSI { 429} ( segid " " and resid 1717 and name HB% ) (( segid " " and resid 1717 and name HA )) 2.100 0.600 0.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.13335E-01 ppm1 1.457 ppm2 3.829 CV 1 ASSI { 432} ( segid " " and resid 1681 and name HB% ) (( segid " " and resid 1681 and name HA )) 2.100 0.600 0.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.13484E-01 ppm1 1.402 ppm2 4.099 CV 1 ASSI { 433} ( segid " " and resid 1681 and name HB% ) (( segid " " and resid 1687 and name HA )) 2.700 0.900 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.39145E-02 ppm1 1.402 ppm2 4.417 CV 1 ASSI { 434} ( segid " " and resid 1681 and name HB% ) (( segid " " and resid 1678 and name HA )) 2.500 0.800 0.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.63086E-02 ppm1 1.403 ppm2 4.283 CV 1 ASSI { 435} ( segid " " and resid 1688 and name HB% ) (( segid " " and resid 1688 and name HA )) 2.200 0.600 0.600 peak 435 spectrum 1 weight 0.10000E+01 volume 0.12899E-01 ppm1 1.342 ppm2 4.573 CV 1 ASSI { 436} ( segid " " and resid 1655 and name HB% ) (( segid " " and resid 1655 and name HA )) 2.200 0.600 0.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.11121E-01 ppm1 1.449 ppm2 4.619 CV 1 ASSI { 437} ( segid " " and resid 1818 and name HB% ) (( segid " " and resid 1818 and name H )) 2.300 0.600 0.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.10887E-01 ppm1 1.423 ppm2 7.911 CV 1 ASSI { 438} ( segid " " and resid 1681 and name HB% ) (( segid " " and resid 1681 and name H )) 2.200 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.11544E-01 ppm1 1.402 ppm2 7.891 CV 1 ASSI { 439} ( segid " " and resid 1681 and name HB% ) (( segid " " and resid 1687 and name H )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.33490E-02 ppm1 1.402 ppm2 7.995 CV 1 ASSI { 440} ( segid " " and resid 1760 and name HB% ) (( segid " " and resid 1760 and name H )) 2.100 0.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.14212E-01 ppm1 1.454 ppm2 7.981 CV 1 ASSI { 441} ( segid " " and resid 1664 and name HB% ) (( segid " " and resid 1664 and name H )) 2.300 0.600 0.600 peak 441 spectrum 1 weight 0.10000E+01 volume 0.84417E-02 ppm1 1.427 ppm2 8.083 CV 1 ASSI { 442} ( segid " " and resid 1735 and name HB% ) (( segid " " and resid 1735 and name H )) 2.200 0.600 0.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.10433E-01 ppm1 1.439 ppm2 8.299 CV 1 ASSI { 443} ( segid " " and resid 1717 and name HB% ) (( segid " " and resid 1717 and name H )) 2.200 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.10372E-01 ppm1 1.458 ppm2 8.528 CV 1 ASSI { 445} ( segid " " and resid 1681 and name HB% ) (( segid " " and resid 1682 and name H )) 2.600 0.800 0.800 peak 445 spectrum 1 weight 0.10000E+01 volume 0.48390E-02 ppm1 1.401 ppm2 8.766 CV 1 ASSI { 446} ( segid " " and resid 1717 and name HB% ) (( segid " " and resid 1718 and name H )) 2.500 0.800 0.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.60581E-02 ppm1 1.456 ppm2 8.903 CV 1 ASSI { 447} ( segid " " and resid 1772 and name HB% ) ( segid " " and resid 1668 and name HD2%) 2.400 0.700 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.43954E-02 ppm1 1.277 ppm2 0.368 CV 1 ASSI { 448} ( segid " " and resid 1769 and name HB% ) ( segid " " and resid 1668 and name HD2%) 3.300 1.400 1.400 peak 448 spectrum 1 weight 0.10000E+01 volume 0.23907E-02 ppm1 1.330 ppm2 0.367 CV 1 ASSI { 449} ( segid " " and resid 1772 and name HB% ) ( segid " " and resid 1668 and name HD1%) 2.400 0.700 0.700 peak 449 spectrum 1 weight 0.10000E+01 volume 0.55602E-02 ppm1 1.277 ppm2 0.227 CV 1 ASSI { 453} ( segid " " and resid 1769 and name HB% ) ( segid " " and resid 1675 and name HD1%) 2.600 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.50625E-02 ppm1 1.332 ppm2 0.799 CV 1 ASSI { 454} ( segid " " and resid 1769 and name HB% ) ( segid " " and resid 1672 and name HD2%) 2.700 0.900 0.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.41143E-02 ppm1 1.334 ppm2 0.903 CV 1 ASSI { 458} (( segid " " and resid 1744 and name HA )) ( segid " " and resid 1744 and name HB% ) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.12469E-01 ppm1 4.209 ppm2 1.570 CV 1 ASSI { 459} (( segid " " and resid 1790 and name HA )) ( segid " " and resid 1790 and name HB% ) 2.000 0.500 0.500 peak 459 spectrum 1 weight 0.10000E+01 volume 0.21990E-01 ppm1 4.181 ppm2 1.491 CV 1 ASSI { 460} ( segid " " and resid 1817 and name HB% ) (( segid " " and resid 1814 and name HA )) 2.300 0.700 0.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.69181E-02 ppm1 1.318 ppm2 3.936 CV 1 ASSI { 461} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1769 and name HA )) 2.300 0.700 0.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.60581E-02 ppm1 1.277 ppm2 3.848 CV 1 ASSI { 463} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1772 and name HA )) 2.100 0.500 0.500 peak 463 spectrum 1 weight 0.10000E+01 volume 0.98101E-02 ppm1 1.278 ppm2 4.500 CV 1 ASSI { 464} ( segid " " and resid 1772 and name HB% ) ( segid " " and resid 1738 and name HE% ) 2.800 1.000 1.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.25837E-02 ppm1 1.277 ppm2 7.062 CV 1 ASSI { 465} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1738 and name HZ )) 2.500 0.800 0.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.34167E-02 ppm1 1.276 ppm2 6.985 CV 1 ASSI { 466} ( segid " " and resid 1769 and name HB% ) ( segid " " and resid 1738 and name HE% ) 3.300 1.400 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 1.334 ppm2 7.058 CV 1 ASSI { 467} ( segid " " and resid 1817 and name HB% ) (( segid " " and resid 1817 and name H )) 2.100 0.600 0.600 peak 467 spectrum 1 weight 0.10000E+01 volume 0.13047E-01 ppm1 1.316 ppm2 7.950 CV 1 ASSI { 468} (( segid " " and resid 1817 and name HA )) (( segid " " and resid 1817 and name H )) 2.400 0.700 0.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.64035E-02 ppm1 4.195 ppm2 7.950 CV 1 ASSI { 469} (( segid " " and resid 1744 and name HA )) (( segid " " and resid 1744 and name H )) 2.700 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.37418E-02 ppm1 4.206 ppm2 8.099 CV 1 ASSI { 470} (( segid " " and resid 1795 and name HA )) (( segid " " and resid 1795 and name H )) 2.500 0.800 0.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.59429E-02 ppm1 4.238 ppm2 8.027 CV 1 ASSI { 471} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1773 and name H )) 2.400 0.700 0.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.47374E-02 ppm1 1.277 ppm2 8.134 CV 1 ASSI { 472} (( segid " " and resid 1667 and name HA )) (( segid " " and resid 1667 and name H )) 2.400 0.700 0.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.84689E-02 ppm1 4.268 ppm2 7.977 CV 1 ASSI { 474} (( segid " " and resid 1697 and name HA )) (( segid " " and resid 1700 and name H )) 2.900 1.100 1.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.25668E-02 ppm1 4.179 ppm2 8.311 CV 1 ASSI { 475} (( segid " " and resid 1799 and name HA )) (( segid " " and resid 1799 and name H )) 2.400 0.700 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.72094E-02 ppm1 4.240 ppm2 8.184 CV 1 ASSI { 476} ( segid " " and resid 1769 and name HB% ) (( segid " " and resid 1769 and name H )) 2.200 0.600 0.600 peak 476 spectrum 1 weight 0.10000E+01 volume 0.99387E-02 ppm1 1.332 ppm2 8.503 CV 1 ASSI { 477} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1772 and name H )) 2.200 0.600 0.600 peak 477 spectrum 1 weight 0.10000E+01 volume 0.92480E-02 ppm1 1.277 ppm2 8.490 CV 1 ASSI { 478} ( segid " " and resid 1779 and name HB% ) (( segid " " and resid 1780 and name H )) 2.700 0.900 0.900 peak 478 spectrum 1 weight 0.10000E+01 volume 0.39281E-02 ppm1 1.351 ppm2 8.417 CV 1 ASSI { 479} ( segid " " and resid 1688 and name HB% ) (( segid " " and resid 1688 and name H )) 2.200 0.600 0.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.12797E-01 ppm1 1.342 ppm2 8.294 CV 1 ASSI { 480} (( segid " " and resid 1682 and name HA )) (( segid " " and resid 1682 and name H )) 2.700 0.900 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.32847E-02 ppm1 4.160 ppm2 8.766 CV 1 ASSI { 481} ( segid " " and resid 1769 and name HB% ) (( segid " " and resid 1770 and name H )) 2.600 0.900 0.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.39958E-02 ppm1 1.331 ppm2 9.245 CV 1 ASSI { 482} ( segid " " and resid 1779 and name HB% ) (( segid " " and resid 1779 and name H )) 2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.78660E-02 ppm1 1.349 ppm2 9.219 CV 1 ASSI { 483} (( segid " " and resid 1816 and name HA )) (( segid " " and resid 1816 and name HG2 )) 2.900 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.23230E-02 ppm1 4.148 ppm2 2.456 CV 1 ASSI { 486} (( segid " " and resid 1781 and name HA )) (( segid " " and resid 1781 and name HB3 )) 2.300 0.600 0.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.97726E-02 ppm1 4.083 ppm2 2.163 CV 1 OR { 486} (( segid " " and resid 1781 and name HA )) (( segid " " and resid 1781 and name HB2 )) ASSI { 487} (( segid " " and resid 1816 and name HA )) (( segid " " and resid 1816 and name HB3 )) 2.300 0.700 0.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.93732E-02 ppm1 4.140 ppm2 2.112 CV 1 OR { 487} (( segid " " and resid 1816 and name HA )) (( segid " " and resid 1816 and name HB2 )) ASSI { 488} (( segid " " and resid 1757 and name HA )) ( segid " " and resid 1760 and name HB% ) 2.400 0.700 0.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.65050E-02 ppm1 4.170 ppm2 1.456 CV 1 ASSI { 489} (( segid " " and resid 1696 and name HB2 )) (( segid " " and resid 1696 and name HB3 )) 1.800 0.400 0.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.18709E-01 ppm1 2.093 ppm2 1.995 CV 1 ASSI { 491} (( segid " " and resid 1673 and name HB2 )) (( segid " " and resid 1673 and name HG3 )) 2.600 0.800 0.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.45918E-02 ppm1 2.094 ppm2 1.667 CV 1 OR { 491} (( segid " " and resid 1673 and name HB3 )) (( segid " " and resid 1673 and name HG3 )) ASSI { 492} (( segid " " and resid 1816 and name HG2 )) (( segid " " and resid 1816 and name HG3 )) 1.800 0.400 0.400 peak 492 spectrum 1 weight 0.10000E+01 volume 0.17605E-01 ppm1 2.463 ppm2 2.274 CV 1 ASSI { 498} (( segid " " and resid 1805 and name HB3 )) (( segid " " and resid 1805 and name HG2 )) 2.400 0.700 0.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.58718E-02 ppm1 2.122 ppm2 2.525 CV 1 OR { 498} (( segid " " and resid 1805 and name HB2 )) (( segid " " and resid 1805 and name HG2 )) ASSI { 503} (( segid " " and resid 1798 and name HG3 )) (( segid " " and resid 1798 and name HA )) 3.000 1.100 1.100 peak 503 spectrum 1 weight 0.10000E+01 volume 0.39010E-02 ppm1 2.431 ppm2 4.107 CV 1 ASSI { 504} (( segid " " and resid 1816 and name HG3 )) (( segid " " and resid 1816 and name HA )) 2.900 1.000 1.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.55636E-02 ppm1 2.272 ppm2 4.131 CV 1 ASSI { 506} (( segid " " and resid 1662 and name HB3 )) (( segid " " and resid 1662 and name HA )) 2.700 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.55602E-02 ppm1 2.147 ppm2 3.975 CV 1 ASSI { 507} (( segid " " and resid 1714 and name HG2 )) (( segid " " and resid 1714 and name HA )) 2.600 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.38773E-02 ppm1 2.225 ppm2 4.326 CV 1 ASSI { 509} (( segid " " and resid 1781 and name HA )) (( segid " " and resid 1781 and name H )) 2.500 0.800 0.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.55433E-02 ppm1 4.082 ppm2 7.395 CV 1 ASSI { 510} (( segid " " and resid 1816 and name HA )) (( segid " " and resid 1816 and name H )) 2.500 0.800 0.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.55332E-02 ppm1 4.140 ppm2 8.098 CV 1 ASSI { 511} (( segid " " and resid 1816 and name HA )) (( segid " " and resid 1817 and name H )) 2.800 1.000 1.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.41651E-02 ppm1 4.145 ppm2 7.945 CV 1 ASSI { 512} (( segid " " and resid 1673 and name HB2 )) (( segid " " and resid 1673 and name H )) 2.300 0.600 0.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.67420E-02 ppm1 2.094 ppm2 7.759 CV 1 ASSI { 513} (( segid " " and resid 1658 and name HB2 )) (( segid " " and resid 1658 and name H )) 2.600 0.800 0.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.34202E-02 ppm1 2.192 ppm2 7.780 CV 1 OR { 513} (( segid " " and resid 1658 and name HB3 )) (( segid " " and resid 1658 and name H )) ASSI { 516} (( segid " " and resid 1816 and name HG2 )) (( segid " " and resid 1816 and name H )) 3.000 1.100 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.32204E-02 ppm1 2.461 ppm2 8.098 CV 1 ASSI { 517} (( segid " " and resid 1816 and name HG3 )) (( segid " " and resid 1816 and name H )) 2.900 1.000 1.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.26176E-02 ppm1 2.265 ppm2 8.094 CV 1 ASSI { 518} (( segid " " and resid 1805 and name HG3 )) (( segid " " and resid 1806 and name H )) 4.000 2.000 2.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.11581E-02 ppm1 2.272 ppm2 7.949 CV 1 ASSI { 519} (( segid " " and resid 1794 and name HG3 )) (( segid " " and resid 1794 and name H )) 3.200 1.300 1.300 peak 519 spectrum 1 weight 0.10000E+01 volume 0.23501E-02 ppm1 2.329 ppm2 8.450 CV 1 ASSI { 521} (( segid " " and resid 1662 and name HB3 )) (( segid " " and resid 1662 and name H )) 2.700 0.900 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.28072E-02 ppm1 2.143 ppm2 8.263 CV 1 ASSI { 522} (( segid " " and resid 1798 and name HB2 )) (( segid " " and resid 1798 and name H )) 2.400 0.700 0.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.62714E-02 ppm1 2.129 ppm2 8.202 CV 1 ASSI { 523} (( segid " " and resid 1808 and name HB2 )) (( segid " " and resid 1808 and name H )) 2.400 0.700 0.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.67184E-02 ppm1 2.154 ppm2 8.191 CV 1 OR { 523} (( segid " " and resid 1808 and name HB3 )) (( segid " " and resid 1808 and name H )) ASSI { 525} (( segid " " and resid 1815 and name HB3 )) (( segid " " and resid 1815 and name HA )) 2.500 0.800 0.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.42938E-02 ppm1 2.832 ppm2 4.581 CV 1 ASSI { 526} (( segid " " and resid 1815 and name HB2 )) (( segid " " and resid 1815 and name HA )) 3.000 1.200 1.200 peak 526 spectrum 1 weight 0.10000E+01 volume 0.29325E-02 ppm1 2.961 ppm2 4.578 CV 1 ASSI { 528} (( segid " " and resid 1815 and name HB2 )) (( segid " " and resid 1815 and name HD22)) 3.600 1.600 1.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.15069E-02 ppm1 2.960 ppm2 6.707 CV 1 ASSI { 529} (( segid " " and resid 1815 and name HB3 )) (( segid " " and resid 1815 and name HD22)) 3.700 1.700 1.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 2.835 ppm2 6.705 CV 1 ASSI { 530} (( segid " " and resid 1815 and name HB2 )) (( segid " " and resid 1815 and name HD21)) 3.000 1.100 1.100 peak 530 spectrum 1 weight 0.10000E+01 volume 0.23365E-02 ppm1 2.960 ppm2 7.473 CV 1 ASSI { 531} (( segid " " and resid 1815 and name HB3 )) (( segid " " and resid 1815 and name HD21)) 3.300 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.19437E-02 ppm1 2.832 ppm2 7.473 CV 1 ASSI { 532} (( segid " " and resid 1669 and name HB3 )) (( segid " " and resid 1670 and name H )) 3.000 1.100 1.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.15949E-02 ppm1 2.974 ppm2 7.881 CV 1 ASSI { 533} (( segid " " and resid 1815 and name HB2 )) (( segid " " and resid 1816 and name H )) 2.900 1.000 1.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.20859E-02 ppm1 2.963 ppm2 8.099 CV 1 ASSI { 534} (( segid " " and resid 1669 and name HB3 )) (( segid " " and resid 1671 and name H )) 5.300 3.500 0.700 peak 534 spectrum 1 weight 0.10000E+01 volume 0.20995E-03 ppm1 2.956 ppm2 7.977 CV 1 ASSI { 535} (( segid " " and resid 1815 and name HB3 )) (( segid " " and resid 1816 and name H )) 3.500 1.600 1.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.16356E-02 ppm1 2.831 ppm2 8.099 CV 1 ASSI { 536} (( segid " " and resid 1815 and name HA )) (( segid " " and resid 1816 and name H )) 3.000 1.100 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 4.579 ppm2 8.098 CV 1 ASSI { 537} (( segid " " and resid 1815 and name HB2 )) (( segid " " and resid 1815 and name H )) 2.300 0.700 0.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.45579E-02 ppm1 2.961 ppm2 8.548 CV 1 ASSI { 539} (( segid " " and resid 1815 and name HB2 )) (( segid " " and resid 1814 and name H )) 4.200 2.200 1.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.65016E-03 ppm1 2.969 ppm2 8.473 CV 1 ASSI { 540} (( segid " " and resid 1815 and name HB3 )) (( segid " " and resid 1815 and name H )) 3.400 1.500 1.500 peak 540 spectrum 1 weight 0.10000E+01 volume 0.33693E-02 ppm1 2.832 ppm2 8.547 CV 1 ASSI { 541} (( segid " " and resid 1815 and name HA )) (( segid " " and resid 1815 and name H )) 2.700 0.900 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.46798E-02 ppm1 4.578 ppm2 8.548 CV 1 ASSI { 542} (( segid " " and resid 1814 and name HA )) (( segid " " and resid 1815 and name H )) 3.300 1.300 1.300 peak 542 spectrum 1 weight 0.10000E+01 volume 0.13003E-02 ppm1 3.936 ppm2 8.546 CV 1 ASSI { 543} (( segid " " and resid 1668 and name HA )) (( segid " " and resid 1668 and name H )) 2.700 0.900 0.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.31154E-02 ppm1 3.877 ppm2 8.531 CV 1 ASSI { 544} (( segid " " and resid 1814 and name HA )) (( segid " " and resid 1814 and name H )) 2.700 0.900 0.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.29291E-02 ppm1 3.936 ppm2 8.476 CV 1 ASSI { 556} (( segid " " and resid 1796 and name HB3 )) (( segid " " and resid 1796 and name H )) 2.600 0.800 0.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.34879E-02 ppm1 1.898 ppm2 8.182 CV 1 ASSI { 559} (( segid " " and resid 1668 and name HA )) (( segid " " and resid 1671 and name H )) 2.800 1.000 1.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.20588E-02 ppm1 3.874 ppm2 7.979 CV 1 ASSI { 561} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1702 and name H )) 3.000 1.100 1.100 peak 561 spectrum 1 weight 0.10000E+01 volume 0.87030E-03 ppm1 0.825 ppm2 8.315 CV 1 ASSI { 562} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1813 and name HB )) 3.100 1.200 1.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.73142E-03 ppm1 0.834 ppm2 4.407 CV 1 ASSI { 564} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1699 and name HA )) 2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.28580E-02 ppm1 0.830 ppm2 4.212 CV 1 ASSI { 565} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1759 and name HA )) 4.400 2.400 1.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.13410E-02 ppm1 0.754 ppm2 4.267 CV 1 ASSI { 566} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1679 and name HB2 )) 3.700 1.700 1.700 peak 566 spectrum 1 weight 0.10000E+01 volume 0.99217E-03 ppm1 0.755 ppm2 4.130 CV 1 ASSI { 567} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1814 and name HA )) 2.100 0.500 0.500 peak 567 spectrum 1 weight 0.10000E+01 volume 0.10646E-01 ppm1 0.829 ppm2 3.936 CV 1 ASSI { 568} (( segid " " and resid 1727 and name HB3 )) (( segid " " and resid 1727 and name HA )) 3.000 1.100 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.23467E-02 ppm1 1.971 ppm2 3.861 CV 1 ASSI { 570} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1811 and name HA )) 3.600 1.700 1.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.29122E-03 ppm1 0.825 ppm2 3.646 CV 1 ASSI { 571} (( segid " " and resid 1814 and name HB2 )) (( segid " " and resid 1811 and name HA )) 2.900 1.000 1.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.74162E-03 ppm1 1.320 ppm2 3.640 CV 1 ASSI { 572} (( segid " " and resid 1814 and name HB2 )) (( segid " " and resid 1814 and name HA )) 2.900 1.100 1.100 peak 572 spectrum 1 weight 0.10000E+01 volume 0.24008E-02 ppm1 1.328 ppm2 3.936 CV 1 ASSI { 573} (( segid " " and resid 1698 and name HB3 )) (( segid " " and resid 1695 and name HA )) 3.800 1.800 1.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.23873E-02 ppm1 1.397 ppm2 3.953 CV 1 ASSI { 575} (( segid " " and resid 1796 and name HB3 )) (( segid " " and resid 1796 and name HA )) 3.000 1.100 1.100 peak 575 spectrum 1 weight 0.10000E+01 volume 0.26142E-02 ppm1 1.899 ppm2 4.215 CV 1 ASSI { 577} (( segid " " and resid 1668 and name HA )) (( segid " " and resid 1671 and name HB2 )) 2.800 0.900 0.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.31526E-02 ppm1 3.874 ppm2 3.244 CV 1 ASSI { 578} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1699 and name HB2 )) 3.800 1.800 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.81947E-03 ppm1 0.834 ppm2 3.335 CV 1 ASSI { 579} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1699 and name HB3 )) 3.800 1.800 1.800 peak 579 spectrum 1 weight 0.10000E+01 volume 0.14324E-02 ppm1 0.829 ppm2 3.211 CV 1 ASSI { 580} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1702 and name HB2 )) 2.400 0.700 0.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.32102E-02 ppm1 0.829 ppm2 2.336 CV 1 ASSI { 581} ( segid " " and resid 1814 and name HD1%) (( segid " " and resid 1702 and name HB2 )) 2.700 0.900 0.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.27226E-02 ppm1 0.751 ppm2 2.320 CV 1 ASSI { 582} ( segid " " and resid 1814 and name HD2%) ( segid " " and resid 1702 and name HE% ) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.75074E-02 ppm1 0.828 ppm2 1.996 CV 1 ASSI { 584} (( segid " " and resid 1814 and name HA )) (( segid " " and resid 1814 and name HG )) 2.800 1.000 1.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.24686E-02 ppm1 3.937 ppm2 1.755 CV 1 ASSI { 587} (( segid " " and resid 1698 and name HB3 )) (( segid " " and resid 1698 and name HB2 )) 2.100 0.600 0.600 peak 587 spectrum 1 weight 0.10000E+01 volume 0.45579E-02 ppm1 1.412 ppm2 1.930 CV 1 ASSI { 589} ( segid " " and resid 1727 and name HD2%) (( segid " " and resid 1656 and name HB2 )) 3.600 1.700 1.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.16762E-02 ppm1 0.765 ppm2 1.863 CV 1 ASSI { 590} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1814 and name HG )) 2.200 0.600 0.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.83029E-02 ppm1 0.828 ppm2 1.754 CV 1 ASSI { 591} ( segid " " and resid 1814 and name HD1%) (( segid " " and resid 1814 and name HG )) 2.200 0.600 0.600 peak 591 spectrum 1 weight 0.10000E+01 volume 0.60445E-02 ppm1 0.748 ppm2 1.759 CV 1 ASSI { 592} (( segid " " and resid 1814 and name HB3 )) (( segid " " and resid 1814 and name HG )) 3.600 1.600 1.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.82627E-03 ppm1 1.972 ppm2 1.754 CV 1 ASSI { 593} (( segid " " and resid 1814 and name HB2 )) (( segid " " and resid 1814 and name HG )) 2.700 0.900 0.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.15712E-02 ppm1 1.334 ppm2 1.758 CV 1 ASSI { 594} ( segid " " and resid 1814 and name HD1%) (( segid " " and resid 1810 and name HG )) 2.200 0.600 0.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.65592E-02 ppm1 0.752 ppm2 1.593 CV 1 ASSI { 597} (( segid " " and resid 1814 and name HB2 )) (( segid " " and resid 1810 and name HG )) 3.800 1.800 1.800 peak 597 spectrum 1 weight 0.10000E+01 volume 0.94140E-03 ppm1 1.335 ppm2 1.586 CV 1 ASSI { 598} ( segid " " and resid 1814 and name HD2%) ( segid " " and resid 1748 and name HB% ) 2.900 1.100 1.100 peak 598 spectrum 1 weight 0.10000E+01 volume 0.11073E-02 ppm1 0.827 ppm2 1.433 CV 1 ASSI { 599} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1814 and name HB2 )) 2.800 1.000 1.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.78021E-02 ppm1 0.829 ppm2 1.323 CV 1 ASSI { 600} (( segid " " and resid 1814 and name HA )) ( segid " " and resid 1813 and name HG2%) 3.500 1.500 1.500 peak 600 spectrum 1 weight 0.10000E+01 volume 0.86009E-03 ppm1 3.936 ppm2 1.072 CV 1 ASSI { 602} (( segid " " and resid 1814 and name HB2 )) ( segid " " and resid 1703 and name HD2%) 3.400 1.400 1.400 peak 602 spectrum 1 weight 0.10000E+01 volume 0.18184E-02 ppm1 1.334 ppm2 0.896 CV 1 ASSI { 604} (( segid " " and resid 1814 and name HB2 )) ( segid " " and resid 1814 and name HD1%) 2.600 0.900 0.900 peak 604 spectrum 1 weight 0.10000E+01 volume 0.27090E-02 ppm1 1.328 ppm2 0.753 CV 1 ASSI { 606} (( segid " " and resid 1814 and name HA )) ( segid " " and resid 1814 and name HD1%) 3.900 1.900 1.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.18557E-02 ppm1 3.935 ppm2 0.751 CV 1 ASSI { 609} ( segid " " and resid 1814 and name HD2%) ( segid " " and resid 1814 and name HD1%) 2.000 0.500 0.500 peak 609 spectrum 1 weight 0.10000E+01 volume 0.14794E-01 ppm1 0.828 ppm2 0.751 CV 1 ASSI { 612} (( segid " " and resid 1698 and name HB3 )) ( segid " " and resid 1698 and name HD1%) 3.000 1.100 1.100 peak 612 spectrum 1 weight 0.10000E+01 volume 0.19200E-02 ppm1 1.420 ppm2 0.621 CV 1 ASSI { 613} (( segid " " and resid 1810 and name HA )) ( segid " " and resid 1813 and name HG2%) 4.000 2.000 2.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 4.408 ppm2 1.066 CV 1 ASSI { 614} (( segid " " and resid 1810 and name HA )) ( segid " " and resid 1810 and name HD1%) 2.300 0.700 0.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.52589E-02 ppm1 4.403 ppm2 0.972 CV 1 ASSI { 616} (( segid " " and resid 1810 and name HA )) (( segid " " and resid 1810 and name HB2 )) 2.500 0.800 0.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.29732E-02 ppm1 4.403 ppm2 1.519 CV 1 ASSI { 617} (( segid " " and resid 1810 and name HA )) (( segid " " and resid 1810 and name HB3 )) 3.100 1.200 1.200 peak 617 spectrum 1 weight 0.10000E+01 volume 0.17880E-02 ppm1 4.405 ppm2 1.816 CV 1 ASSI { 620} (( segid " " and resid 1761 and name HB3 )) ( segid " " and resid 1761 and name HD1%) 2.900 1.100 1.100 peak 620 spectrum 1 weight 0.10000E+01 volume 0.46900E-02 ppm1 1.492 ppm2 0.830 CV 1 ASSI { 621} (( segid " " and resid 1761 and name HB3 )) (( segid " " and resid 1761 and name HG )) 2.500 0.800 0.800 peak 621 spectrum 1 weight 0.10000E+01 volume 0.44529E-02 ppm1 1.494 ppm2 1.660 CV 1 ASSI { 622} (( segid " " and resid 1810 and name HB2 )) (( segid " " and resid 1810 and name HG )) 2.700 0.900 0.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.44360E-02 ppm1 1.500 ppm2 1.577 CV 1 ASSI { 623} (( segid " " and resid 1761 and name HB3 )) (( segid " " and resid 1761 and name HB2 )) 1.800 0.400 0.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.10420E-01 ppm1 1.491 ppm2 1.880 CV 1 ASSI { 624} (( segid " " and resid 1810 and name HB2 )) (( segid " " and resid 1810 and name HB3 )) 2.000 0.500 0.500 peak 624 spectrum 1 weight 0.10000E+01 volume 0.53164E-02 ppm1 1.513 ppm2 1.815 CV 1 ASSI { 625} ( segid " " and resid 1810 and name HD2%) (( segid " " and resid 1810 and name HG )) 2.100 0.600 0.600 peak 625 spectrum 1 weight 0.10000E+01 volume 0.82729E-02 ppm1 0.890 ppm2 1.591 CV 1 ASSI { 626} ( segid " " and resid 1810 and name HD2%) (( segid " " and resid 1810 and name HB2 )) 2.400 0.700 0.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.67827E-02 ppm1 0.886 ppm2 1.519 CV 1 ASSI { 627} ( segid " " and resid 1810 and name HD2%) (( segid " " and resid 1810 and name HB3 )) 2.400 0.700 0.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.45511E-02 ppm1 0.888 ppm2 1.810 CV 1 ASSI { 628} ( segid " " and resid 1810 and name HD1%) (( segid " " and resid 1810 and name HG )) 1.900 0.400 0.400 peak 628 spectrum 1 weight 0.10000E+01 volume 0.16058E-01 ppm1 0.966 ppm2 1.590 CV 1 ASSI { 629} ( segid " " and resid 1810 and name HD2%) ( segid " " and resid 1810 and name HD1%) 1.900 0.500 0.500 peak 629 spectrum 1 weight 0.10000E+01 volume 0.20094E-01 ppm1 0.887 ppm2 0.974 CV 1 ASSI { 630} ( segid " " and resid 1810 and name HD2%) ( segid " " and resid 1814 and name HD1%) 3.100 1.200 1.200 peak 630 spectrum 1 weight 0.10000E+01 volume 0.13749E-02 ppm1 0.887 ppm2 0.751 CV 1 ASSI { 632} ( segid " " and resid 1698 and name HD2%) ( segid " " and resid 1698 and name HD1%) 2.100 0.600 0.600 peak 632 spectrum 1 weight 0.10000E+01 volume 0.13047E-01 ppm1 0.989 ppm2 0.623 CV 1 ASSI { 633} (( segid " " and resid 1773 and name HG )) (( segid " " and resid 1773 and name HB3 )) 2.300 0.600 0.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.67759E-02 ppm1 1.551 ppm2 1.767 CV 1 OR { 633} (( segid " " and resid 1773 and name HG )) (( segid " " and resid 1773 and name HB2 )) ASSI { 634} ( segid " " and resid 1675 and name HD2%) (( segid " " and resid 1675 and name HB2 )) 3.000 1.100 1.100 peak 634 spectrum 1 weight 0.10000E+01 volume 0.50828E-02 ppm1 0.952 ppm2 2.052 CV 1 ASSI { 635} ( segid " " and resid 1810 and name HD1%) ( segid " " and resid 1702 and name HE% ) 2.300 0.700 0.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.82117E-02 ppm1 0.971 ppm2 2.006 CV 1 ASSI { 637} ( segid " " and resid 1675 and name HD2%) ( segid " " and resid 1742 and name HG2%) 2.200 0.600 0.600 peak 637 spectrum 1 weight 0.10000E+01 volume 0.10812E-01 ppm1 0.952 ppm2 1.314 CV 1 ASSI { 638} ( segid " " and resid 1687 and name HD2%) (( segid " " and resid 1687 and name HG )) 2.100 0.600 0.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.11334E-01 ppm1 0.959 ppm2 1.266 CV 1 ASSI { 641} ( segid " " and resid 1810 and name HD2%) (( segid " " and resid 1810 and name HA )) 3.700 1.700 1.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.19302E-02 ppm1 0.886 ppm2 4.402 CV 1 ASSI { 642} (( segid " " and resid 1761 and name HB3 )) (( segid " " and resid 1761 and name HA )) 2.500 0.800 0.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.31797E-02 ppm1 1.492 ppm2 3.895 CV 1 ASSI { 643} (( segid " " and resid 1761 and name HB2 )) (( segid " " and resid 1761 and name HA )) 2.300 0.700 0.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.47577E-02 ppm1 1.873 ppm2 3.886 CV 1 ASSI { 644} ( segid " " and resid 1698 and name HD2%) (( segid " " and resid 1698 and name HA )) 2.100 0.600 0.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.10341E-01 ppm1 0.990 ppm2 4.066 CV 1 ASSI { 645} ( segid " " and resid 1698 and name HD2%) (( segid " " and resid 1744 and name HA )) 2.200 0.600 0.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.95767E-02 ppm1 0.988 ppm2 4.206 CV 1 ASSI { 646} ( segid " " and resid 1753 and name HD1%) (( segid " " and resid 1753 and name HA )) 2.300 0.600 0.600 peak 646 spectrum 1 weight 0.10000E+01 volume 0.12414E-01 ppm1 0.885 ppm2 4.233 CV 1 ASSI { 648} ( segid " " and resid 1810 and name HD1%) (( segid " " and resid 1765 and name HA )) 2.500 0.800 0.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.45071E-02 ppm1 0.971 ppm2 3.909 CV 1 ASSI { 649} ( segid " " and resid 1810 and name HD2%) (( segid " " and resid 1765 and name HA )) 2.500 0.800 0.800 peak 649 spectrum 1 weight 0.10000E+01 volume 0.36842E-02 ppm1 0.889 ppm2 3.917 CV 1 ASSI { 650} (( segid " " and resid 1809 and name HA )) (( segid " " and resid 1810 and name H )) 3.500 1.500 1.500 peak 650 spectrum 1 weight 0.10000E+01 volume 0.11073E-02 ppm1 4.464 ppm2 7.521 CV 1 ASSI { 653} (( segid " " and resid 1761 and name HB2 )) (( segid " " and resid 1762 and name H )) 3.300 1.400 1.400 peak 653 spectrum 1 weight 0.10000E+01 volume 0.17304E-02 ppm1 1.878 ppm2 7.429 CV 1 ASSI { 655} (( segid " " and resid 1761 and name HB3 )) (( segid " " and resid 1762 and name H )) 3.400 1.500 1.500 peak 655 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 1.489 ppm2 7.432 CV 1 ASSI { 656} ( segid " " and resid 1810 and name HD2%) (( segid " " and resid 1810 and name H )) 4.100 2.100 1.900 peak 656 spectrum 1 weight 0.10000E+01 volume 0.13003E-02 ppm1 0.887 ppm2 7.526 CV 1 ASSI { 657} (( segid " " and resid 1761 and name HB2 )) (( segid " " and resid 1761 and name H )) 3.000 1.100 1.100 peak 657 spectrum 1 weight 0.10000E+01 volume 0.46324E-02 ppm1 1.879 ppm2 7.769 CV 1 ASSI { 658} (( segid " " and resid 1810 and name HA )) (( segid " " and resid 1813 and name H )) 3.200 1.300 1.300 peak 658 spectrum 1 weight 0.10000E+01 volume 0.11683E-02 ppm1 4.405 ppm2 8.020 CV 1 ASSI { 659} (( segid " " and resid 1761 and name HB3 )) (( segid " " and resid 1761 and name H )) 2.500 0.800 0.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.29833E-02 ppm1 1.490 ppm2 7.770 CV 1 ASSI { 661} ( segid " " and resid 1810 and name HD1%) (( segid " " and resid 1765 and name H )) 2.800 1.000 1.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.21604E-02 ppm1 0.963 ppm2 7.900 CV 1 ASSI { 663} (( segid " " and resid 1810 and name HB3 )) (( segid " " and resid 1811 and name H )) 2.800 1.000 1.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.13816E-02 ppm1 1.815 ppm2 8.474 CV 1 ASSI { 666} ( segid " " and resid 1687 and name HD2%) (( segid " " and resid 1688 and name H )) 3.200 1.200 1.200 peak 666 spectrum 1 weight 0.10000E+01 volume 0.33152E-02 ppm1 0.966 ppm2 8.297 CV 1 ASSI { 668} (( segid " " and resid 1674 and name HA )) (( segid " " and resid 1677 and name HB2 )) 2.800 0.900 0.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.29596E-02 ppm1 4.473 ppm2 2.259 CV 1 ASSI { 669} (( segid " " and resid 1674 and name HA )) (( segid " " and resid 1677 and name HB3 )) 3.400 1.400 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.29257E-02 ppm1 4.468 ppm2 2.204 CV 1 ASSI { 670} (( segid " " and resid 1809 and name HA )) (( segid " " and resid 1809 and name HB3 )) 2.800 1.000 1.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.50387E-02 ppm1 4.469 ppm2 2.617 CV 1 ASSI { 671} (( segid " " and resid 1674 and name HA )) (( segid " " and resid 1674 and name HB3 )) 2.700 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.50963E-02 ppm1 4.472 ppm2 2.519 CV 1 ASSI { 672} (( segid " " and resid 1676 and name HA )) (( segid " " and resid 1676 and name HB3 )) 2.700 0.900 0.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.58583E-02 ppm1 4.497 ppm2 2.745 CV 1 ASSI { 673} (( segid " " and resid 1809 and name HB3 )) (( segid " " and resid 1809 and name HB2 )) 1.800 0.400 0.400 peak 673 spectrum 1 weight 0.10000E+01 volume 0.15929E-01 ppm1 2.619 ppm2 2.717 CV 1 ASSI { 675} (( segid " " and resid 1763 and name HB3 )) (( segid " " and resid 1763 and name HB2 )) 1.800 0.400 0.400 peak 675 spectrum 1 weight 0.10000E+01 volume 0.15032E-01 ppm1 2.662 ppm2 2.851 CV 1 ASSI { 676} (( segid " " and resid 1676 and name HA )) (( segid " " and resid 1676 and name HB2 )) 2.400 0.700 0.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.55602E-02 ppm1 4.498 ppm2 2.903 CV 1 ASSI { 677} (( segid " " and resid 1809 and name HB3 )) (( segid " " and resid 1806 and name HA )) 2.800 1.000 1.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 2.624 ppm2 4.277 CV 1 ASSI { 678} (( segid " " and resid 1763 and name HB3 )) (( segid " " and resid 1760 and name HA )) 2.900 1.000 1.000 peak 678 spectrum 1 weight 0.10000E+01 volume 0.21299E-02 ppm1 2.664 ppm2 4.246 CV 1 ASSI { 681} (( segid " " and resid 1809 and name HB2 )) (( segid " " and resid 1809 and name HA )) 2.700 0.900 0.900 peak 681 spectrum 1 weight 0.10000E+01 volume 0.35014E-02 ppm1 2.715 ppm2 4.469 CV 1 ASSI { 683} (( segid " " and resid 1676 and name HA )) (( segid " " and resid 1679 and name HB2 )) 3.200 1.300 1.300 peak 683 spectrum 1 weight 0.10000E+01 volume 0.27158E-02 ppm1 4.500 ppm2 4.131 CV 1 ASSI { 684} (( segid " " and resid 1694 and name HA )) (( segid " " and resid 1694 and name HB3 )) 2.500 0.800 0.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.52555E-02 ppm1 4.519 ppm2 4.023 CV 1 ASSI { 685} (( segid " " and resid 1676 and name HA )) (( segid " " and resid 1679 and name HB3 )) 2.600 0.900 0.900 peak 685 spectrum 1 weight 0.10000E+01 volume 0.34269E-02 ppm1 4.501 ppm2 3.999 CV 1 ASSI { 686} (( segid " " and resid 1694 and name HA )) (( segid " " and resid 1694 and name HB2 )) 2.500 0.800 0.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.57059E-02 ppm1 4.520 ppm2 4.362 CV 1 ASSI { 687} (( segid " " and resid 1809 and name HB3 )) (( segid " " and resid 1764 and name HE22)) 3.900 1.900 1.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.47408E-03 ppm1 2.617 ppm2 6.329 CV 1 ASSI { 688} (( segid " " and resid 1809 and name HB2 )) (( segid " " and resid 1810 and name H )) 3.700 1.700 1.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.16864E-02 ppm1 2.715 ppm2 7.521 CV 1 ASSI { 689} (( segid " " and resid 1809 and name HB3 )) (( segid " " and resid 1810 and name H )) 2.900 1.000 1.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.18015E-02 ppm1 2.617 ppm2 7.522 CV 1 ASSI { 690} (( segid " " and resid 1674 and name HA )) (( segid " " and resid 1674 and name H )) 2.700 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.43243E-02 ppm1 4.470 ppm2 7.900 CV 1 ASSI { 692} (( segid " " and resid 1809 and name HB3 )) (( segid " " and resid 1812 and name H )) 4.200 2.200 1.800 peak 692 spectrum 1 weight 0.10000E+01 volume 0.48085E-03 ppm1 2.620 ppm2 8.198 CV 1 ASSI { 693} (( segid " " and resid 1809 and name HB2 )) (( segid " " and resid 1808 and name H )) 5.200 3.400 0.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.24381E-03 ppm1 2.712 ppm2 8.182 CV 1 ASSI { 694} (( segid " " and resid 1809 and name HA )) (( segid " " and resid 1812 and name H )) 3.200 1.300 1.300 peak 694 spectrum 1 weight 0.10000E+01 volume 0.14764E-02 ppm1 4.466 ppm2 8.206 CV 1 ASSI { 695} (( segid " " and resid 1809 and name HB2 )) (( segid " " and resid 1809 and name H )) 2.600 0.800 0.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.40872E-02 ppm1 2.717 ppm2 8.410 CV 1 ASSI { 696} (( segid " " and resid 1809 and name HB3 )) (( segid " " and resid 1809 and name H )) 2.700 0.900 0.900 peak 696 spectrum 1 weight 0.10000E+01 volume 0.38807E-02 ppm1 2.619 ppm2 8.412 CV 1 ASSI { 697} (( segid " " and resid 1809 and name HA )) (( segid " " and resid 1809 and name H )) 2.600 0.900 0.900 peak 697 spectrum 1 weight 0.10000E+01 volume 0.45918E-02 ppm1 4.469 ppm2 8.412 CV 1 ASSI { 698} (( segid " " and resid 1676 and name HA )) (( segid " " and resid 1679 and name H )) 3.100 1.200 1.200 peak 698 spectrum 1 weight 0.10000E+01 volume 0.17236E-02 ppm1 4.499 ppm2 8.478 CV 1 ASSI { 699} (( segid " " and resid 1694 and name HA )) (( segid " " and resid 1694 and name H )) 3.000 1.100 1.100 peak 699 spectrum 1 weight 0.10000E+01 volume 0.16389E-02 ppm1 4.520 ppm2 8.314 CV 1 ASSI { 700} (( segid " " and resid 1674 and name HA )) (( segid " " and resid 1675 and name H )) 3.300 1.400 1.400 peak 700 spectrum 1 weight 0.10000E+01 volume 0.12699E-02 ppm1 4.472 ppm2 8.562 CV 1 ASSI { 701} (( segid " " and resid 1676 and name HA )) (( segid " " and resid 1676 and name H )) 2.700 0.900 0.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.39823E-02 ppm1 4.498 ppm2 8.711 CV 1 ASSI { 702} (( segid " " and resid 1763 and name HB3 )) (( segid " " and resid 1764 and name H )) 2.900 1.000 1.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.16864E-02 ppm1 2.658 ppm2 8.844 CV 1 ASSI { 704} (( segid " " and resid 1763 and name HB3 )) (( segid " " and resid 1763 and name H )) 2.900 1.100 1.100 peak 704 spectrum 1 weight 0.10000E+01 volume 0.21740E-02 ppm1 2.660 ppm2 9.195 CV 1 ASSI { 706} (( segid " " and resid 1807 and name HA )) ( segid " " and resid 1807 and name HG2%) 2.200 0.600 0.600 peak 706 spectrum 1 weight 0.10000E+01 volume 0.81470E-02 ppm1 3.539 ppm2 1.068 CV 1 ASSI { 708} (( segid " " and resid 1807 and name HB )) ( segid " " and resid 1713 and name HD1%) 3.200 1.300 1.300 peak 708 spectrum 1 weight 0.10000E+01 volume 0.19302E-02 ppm1 2.391 ppm2 1.002 CV 1 ASSI { 710} ( segid " " and resid 1807 and name HG1%) ( segid " " and resid 1807 and name HG2%) 2.100 0.600 0.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.12560E-01 ppm1 0.904 ppm2 1.069 CV 1 ASSI { 711} (( segid " " and resid 1807 and name HB )) ( segid " " and resid 1804 and name HG2%) 3.200 3.200 2.800 peak 711 spectrum 1 weight 0.10000E+01 volume 0.57905E-03 ppm1 2.399 ppm2 1.299 CV 1 ASSI { 712} (( segid " " and resid 1807 and name HA )) ( segid " " and resid 1806 and name HB% ) 3.700 1.700 1.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.86349E-03 ppm1 3.537 ppm2 1.595 CV 1 ASSI { 713} (( segid " " and resid 1807 and name HA )) (( segid " " and resid 1810 and name HB2 )) 3.500 1.500 1.500 peak 713 spectrum 1 weight 0.10000E+01 volume 0.97189E-03 ppm1 3.539 ppm2 1.517 CV 1 ASSI { 714} (( segid " " and resid 1807 and name HA )) (( segid " " and resid 1810 and name HB3 )) 2.900 1.100 1.100 peak 714 spectrum 1 weight 0.10000E+01 volume 0.14900E-02 ppm1 3.536 ppm2 1.813 CV 1 ASSI { 716} (( segid " " and resid 1715 and name HB2 )) (( segid " " and resid 1715 and name HB3 )) 1.900 0.400 0.400 peak 716 spectrum 1 weight 0.10000E+01 volume 0.10376E-01 ppm1 2.391 ppm2 1.685 CV 1 ASSI { 717} ( segid " " and resid 1807 and name HG2%) ( segid " " and resid 1806 and name HB% ) 3.500 1.500 1.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 1.071 ppm2 1.594 CV 1 ASSI { 718} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1810 and name HB2 )) 4.300 2.300 1.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.57228E-03 ppm1 1.073 ppm2 1.529 CV 1 ASSI { 719} (( segid " " and resid 1759 and name HG2 )) (( segid " " and resid 1759 and name HG3 )) 1.800 0.400 0.400 peak 719 spectrum 1 weight 0.10000E+01 volume 0.11215E-01 ppm1 2.416 ppm2 2.116 CV 1 ASSI { 720} (( segid " " and resid 1759 and name HG2 )) (( segid " " and resid 1759 and name HB3 )) 2.500 0.800 0.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.33388E-02 ppm1 2.415 ppm2 1.901 CV 1 ASSI { 721} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1803 and name HB3 )) 3.600 3.600 2.400 peak 721 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 0.901 ppm2 2.065 CV 1 ASSI { 722} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1808 and name HB2 )) 4.100 2.100 1.900 peak 722 spectrum 1 weight 0.10000E+01 volume 0.77544E-03 ppm1 0.904 ppm2 2.151 CV 1 OR { 722} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1808 and name HB3 )) ASSI { 724} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1803 and name HB2 )) 2.900 1.100 1.100 peak 724 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 1.071 ppm2 2.138 CV 1 ASSI { 725} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1807 and name HB )) 2.200 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.83913E-02 ppm1 1.071 ppm2 2.399 CV 1 ASSI { 726} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1803 and name HG2 )) 3.600 1.600 1.600 peak 726 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 1.068 ppm2 2.483 CV 1 ASSI { 727} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1807 and name HB )) 2.100 0.600 0.600 peak 727 spectrum 1 weight 0.10000E+01 volume 0.91732E-02 ppm1 0.904 ppm2 2.399 CV 1 ASSI { 728} (( segid " " and resid 1807 and name HA )) (( segid " " and resid 1807 and name HB )) 2.900 1.100 1.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.22824E-02 ppm1 3.539 ppm2 2.398 CV 1 ASSI { 729} (( segid " " and resid 1715 and name HB2 )) (( segid " " and resid 1730 and name HE2 )) 4.200 2.200 1.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.55535E-03 ppm1 2.399 ppm2 2.944 CV 1 ASSI { 730} (( segid " " and resid 1715 and name HB2 )) (( segid " " and resid 1730 and name HE3 )) 3.700 1.700 1.700 peak 730 spectrum 1 weight 0.10000E+01 volume 0.10565E-02 ppm1 2.390 ppm2 3.049 CV 1 ASSI { 731} (( segid " " and resid 1715 and name HB2 )) (( segid " " and resid 1715 and name HD2 )) 4.000 2.000 2.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.11513E-02 ppm1 2.393 ppm2 3.611 CV 1 ASSI { 733} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1807 and name HA )) 2.500 0.800 0.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.55095E-02 ppm1 0.904 ppm2 3.541 CV 1 ASSI { 735} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1804 and name HA )) 2.900 1.100 1.100 peak 735 spectrum 1 weight 0.10000E+01 volume 0.28512E-02 ppm1 1.070 ppm2 3.795 CV 1 ASSI { 736} (( segid " " and resid 1807 and name HB )) (( segid " " and resid 1804 and name HA )) 2.600 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.28783E-02 ppm1 2.397 ppm2 3.790 CV 1 ASSI { 737} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1804 and name HA )) 3.500 1.500 1.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.21368E-02 ppm1 0.901 ppm2 3.790 CV 1 ASSI { 738} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1710 and name HB3 )) 2.900 1.000 1.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.67895E-02 ppm1 0.903 ppm2 4.047 CV 1 ASSI { 739} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1710 and name HB2 )) 2.100 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.80423E-02 ppm1 0.903 ppm2 4.016 CV 1 ASSI { 740} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1710 and name HA )) 2.600 0.800 0.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.47882E-02 ppm1 1.071 ppm2 4.057 CV 1 ASSI { 742} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1811 and name HB )) 3.400 1.400 1.400 peak 742 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 0.905 ppm2 4.333 CV 1 ASSI { 743} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1811 and name HB )) 4.300 2.300 1.700 peak 743 spectrum 1 weight 0.10000E+01 volume 0.69420E-03 ppm1 1.075 ppm2 4.328 CV 1 ASSI { 744} (( segid " " and resid 1807 and name HA )) (( segid " " and resid 1810 and name H )) 3.400 1.400 1.400 peak 744 spectrum 1 weight 0.10000E+01 volume 0.86009E-03 ppm1 3.541 ppm2 7.520 CV 1 ASSI { 745} (( segid " " and resid 1759 and name HG2 )) (( segid " " and resid 1759 and name H )) 3.600 1.600 1.600 peak 745 spectrum 1 weight 0.10000E+01 volume 0.18591E-02 ppm1 2.418 ppm2 7.883 CV 1 ASSI { 747} (( segid " " and resid 1807 and name HA )) (( segid " " and resid 1808 and name H )) 3.400 1.500 1.500 peak 747 spectrum 1 weight 0.10000E+01 volume 0.99217E-03 ppm1 3.538 ppm2 8.190 CV 1 ASSI { 748} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1808 and name H )) 2.900 1.000 1.000 peak 748 spectrum 1 weight 0.10000E+01 volume 0.24957E-02 ppm1 0.904 ppm2 8.183 CV 1 ASSI { 749} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1808 and name H )) 3.800 1.800 1.800 peak 749 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 1.072 ppm2 8.183 CV 1 ASSI { 750} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1710 and name H )) 3.200 1.300 1.300 peak 750 spectrum 1 weight 0.10000E+01 volume 0.11886E-02 ppm1 1.070 ppm2 8.472 CV 1 ASSI { 751} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1710 and name H )) 3.200 1.300 1.300 peak 751 spectrum 1 weight 0.10000E+01 volume 0.22959E-02 ppm1 0.905 ppm2 8.472 CV 1 ASSI { 752} (( segid " " and resid 1807 and name HA )) (( segid " " and resid 1811 and name H )) 3.800 1.800 1.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.54180E-03 ppm1 3.539 ppm2 8.477 CV 1 ASSI { 754} (( segid " " and resid 1807 and name HB )) (( segid " " and resid 1807 and name H )) 2.400 0.700 0.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.39653E-02 ppm1 2.395 ppm2 8.599 CV 1 ASSI { 755} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1807 and name H )) 3.600 1.600 1.600 peak 755 spectrum 1 weight 0.10000E+01 volume 0.25126E-02 ppm1 0.903 ppm2 8.599 CV 1 ASSI { 756} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1807 and name H )) 2.500 0.800 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.62172E-02 ppm1 1.071 ppm2 8.598 CV 1 ASSI { 761} (( segid " " and resid 1806 and name HA )) ( segid " " and resid 1767 and name HG2%) 3.400 1.400 1.400 peak 761 spectrum 1 weight 0.10000E+01 volume 0.17541E-02 ppm1 4.277 ppm2 1.314 CV 1 ASSI { 764} ( segid " " and resid 1806 and name HB% ) ( segid " " and resid 1768 and name HD2%) 3.800 1.800 1.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.18692E-02 ppm1 1.587 ppm2 0.907 CV 1 ASSI { 765} (( segid " " and resid 1678 and name HA )) ( segid " " and resid 1687 and name HD1%) 3.700 1.700 1.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.14527E-02 ppm1 4.285 ppm2 0.853 CV 1 ASSI { 766} (( segid " " and resid 1799 and name HA )) (( segid " " and resid 1802 and name HB2 )) 2.400 0.700 0.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.51167E-02 ppm1 4.242 ppm2 2.250 CV 1 ASSI { 768} (( segid " " and resid 1806 and name HA )) (( segid " " and resid 1809 and name HB2 )) 3.100 1.200 1.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.28140E-02 ppm1 4.276 ppm2 2.716 CV 1 ASSI { 769} ( segid " " and resid 1806 and name HB% ) (( segid " " and resid 1809 and name HB2 )) 4.200 2.200 1.800 peak 769 spectrum 1 weight 0.10000E+01 volume 0.12157E-02 ppm1 1.600 ppm2 2.732 CV 1 ASSI { 770} ( segid " " and resid 1806 and name HB% ) (( segid " " and resid 1803 and name HA )) 2.400 0.700 0.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.70672E-02 ppm1 1.596 ppm2 4.343 CV 1 ASSI { 771} ( segid " " and resid 1806 and name HB% ) (( segid " " and resid 1806 and name HA )) 2.100 0.500 0.500 peak 771 spectrum 1 weight 0.10000E+01 volume 0.11564E-01 ppm1 1.597 ppm2 4.279 CV 1 ASSI { 772} ( segid " " and resid 1806 and name HB% ) (( segid " " and resid 1768 and name HA )) 2.200 0.600 0.600 peak 772 spectrum 1 weight 0.10000E+01 volume 0.75816E-02 ppm1 1.595 ppm2 4.122 CV 1 ASSI { 773} ( segid " " and resid 1799 and name HB% ) (( segid " " and resid 1799 and name H )) 2.200 0.600 0.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.12499E-01 ppm1 1.569 ppm2 8.177 CV 1 ASSI { 774} ( segid " " and resid 1744 and name HB% ) (( segid " " and resid 1744 and name H )) 2.300 0.600 0.600 peak 774 spectrum 1 weight 0.10000E+01 volume 0.92412E-02 ppm1 1.571 ppm2 8.099 CV 1 ASSI { 775} ( segid " " and resid 1806 and name HB% ) (( segid " " and resid 1806 and name H )) 2.100 0.600 0.600 peak 775 spectrum 1 weight 0.10000E+01 volume 0.90241E-02 ppm1 1.597 ppm2 7.957 CV 1 ASSI { 776} (( segid " " and resid 1678 and name HA )) (( segid " " and resid 1681 and name H )) 2.800 1.000 1.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.28005E-02 ppm1 4.273 ppm2 7.887 CV 1 ASSI { 777} (( segid " " and resid 1678 and name HA )) (( segid " " and resid 1678 and name H )) 2.600 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.41414E-02 ppm1 4.283 ppm2 8.109 CV 1 ASSI { 778} ( segid " " and resid 1705 and name HB% ) (( segid " " and resid 1706 and name H )) 2.400 0.700 0.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.57567E-02 ppm1 1.569 ppm2 8.493 CV 1 ASSI { 779} (( segid " " and resid 1806 and name HA )) (( segid " " and resid 1809 and name H )) 3.300 1.300 1.300 peak 779 spectrum 1 weight 0.10000E+01 volume 0.15678E-02 ppm1 4.282 ppm2 8.412 CV 1 ASSI { 781} ( segid " " and resid 1806 and name HB% ) (( segid " " and resid 1807 and name H )) 2.700 0.900 0.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.35082E-02 ppm1 1.595 ppm2 8.601 CV 1 ASSI { 782} ( segid " " and resid 1682 and name HB% ) (( segid " " and resid 1682 and name H )) 2.200 0.600 0.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.99897E-02 ppm1 1.545 ppm2 8.767 CV 1 ASSI { 783} (( segid " " and resid 1804 and name HA )) (( segid " " and resid 1807 and name H )) 3.300 1.400 1.400 peak 783 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 3.792 ppm2 8.585 CV 1 ASSI { 784} (( segid " " and resid 1804 and name HA )) (( segid " " and resid 1804 and name H )) 2.800 1.000 1.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.24042E-02 ppm1 3.792 ppm2 8.538 CV 1 ASSI { 786} (( segid " " and resid 1804 and name HA )) (( segid " " and resid 1805 and name H )) 3.400 1.500 1.500 peak 786 spectrum 1 weight 0.10000E+01 volume 0.84655E-03 ppm1 3.793 ppm2 8.063 CV 1 ASSI { 787} (( segid " " and resid 1804 and name HB )) (( segid " " and resid 1804 and name H )) 2.700 0.900 0.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.24821E-02 ppm1 4.423 ppm2 8.533 CV 1 ASSI { 788} (( segid " " and resid 1700 and name HB )) (( segid " " and resid 1700 and name H )) 2.400 0.700 0.700 peak 788 spectrum 1 weight 0.10000E+01 volume 0.66337E-02 ppm1 4.328 ppm2 8.309 CV 1 ASSI { 790} (( segid " " and resid 1804 and name HB )) (( segid " " and resid 1805 and name H )) 3.200 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.25058E-02 ppm1 4.421 ppm2 8.063 CV 1 ASSI { 792} (( segid " " and resid 1804 and name HA )) (( segid " " and resid 1804 and name HB )) 2.900 1.000 1.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.20081E-02 ppm1 3.792 ppm2 4.423 CV 1 ASSI { 794} ( segid " " and resid 1804 and name HG2%) (( segid " " and resid 1805 and name HA )) 2.800 1.000 1.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.31255E-02 ppm1 1.296 ppm2 4.061 CV 1 ASSI { 799} (( segid " " and resid 1804 and name HA )) (( segid " " and resid 1803 and name HB2 )) 4.200 2.200 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.80593E-03 ppm1 3.793 ppm2 2.135 CV 1 ASSI { 801} ( segid " " and resid 1804 and name HG2%) (( segid " " and resid 1808 and name HB2 )) 3.200 3.200 2.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.15780E-02 ppm1 1.298 ppm2 2.139 CV 1 ASSI { 802} ( segid " " and resid 1804 and name HG2%) (( segid " " and resid 1805 and name HG3 )) 3.800 1.800 1.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.19945E-02 ppm1 1.300 ppm2 2.293 CV 1 ASSI { 803} (( segid " " and resid 1804 and name HB )) ( segid " " and resid 1804 and name HG2%) 2.500 0.800 0.800 peak 803 spectrum 1 weight 0.10000E+01 volume 0.52250E-02 ppm1 4.422 ppm2 1.298 CV 1 ASSI { 804} (( segid " " and resid 1804 and name HA )) ( segid " " and resid 1804 and name HG2%) 2.700 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.59226E-02 ppm1 3.792 ppm2 1.297 CV 1 ASSI { 806} (( segid " " and resid 1804 and name HA )) ( segid " " and resid 1713 and name HD1%) 2.700 0.900 0.900 peak 806 spectrum 1 weight 0.10000E+01 volume 0.28478E-02 ppm1 3.792 ppm2 1.014 CV 1 ASSI { 809} (( segid " " and resid 1803 and name HB2 )) (( segid " " and resid 1803 and name HG2 )) 3.100 1.200 1.200 peak 809 spectrum 1 weight 0.10000E+01 volume 0.19302E-02 ppm1 2.132 ppm2 2.490 CV 1 ASSI { 811} (( segid " " and resid 1803 and name HB3 )) (( segid " " and resid 1803 and name HG3 )) 3.400 1.500 1.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.11784E-02 ppm1 2.053 ppm2 2.761 CV 1 ASSI { 812} (( segid " " and resid 1786 and name HB2 )) (( segid " " and resid 1786 and name HB3 )) 1.800 0.400 0.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.15228E-01 ppm1 2.048 ppm2 2.441 CV 1 ASSI { 813} (( segid " " and resid 1803 and name HB2 )) ( segid " " and resid 1713 and name HD1%) 3.600 1.600 1.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.30002E-02 ppm1 2.130 ppm2 1.007 CV 1 ASSI { 814} (( segid " " and resid 1803 and name HB2 )) ( segid " " and resid 1800 and name HG2%) 3.900 1.900 1.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.96849E-03 ppm1 2.133 ppm2 0.891 CV 1 ASSI { 815} (( segid " " and resid 1803 and name HB3 )) ( segid " " and resid 1800 and name HG2%) 4.300 2.300 1.700 peak 815 spectrum 1 weight 0.10000E+01 volume 0.87363E-03 ppm1 2.052 ppm2 0.893 CV 1 ASSI { 816} (( segid " " and resid 1803 and name HB2 )) (( segid " " and resid 1775 and name HG )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 2.144 ppm2 1.485 CV 1 ASSI { 818} (( segid " " and resid 1803 and name HB2 )) (( segid " " and resid 1803 and name HB3 )) 1.700 0.400 0.500 peak 818 spectrum 1 weight 0.10000E+01 volume 0.11127E-01 ppm1 2.129 ppm2 2.067 CV 1 ASSI { 821} (( segid " " and resid 1689 and name HB2 )) (( segid " " and resid 1689 and name HD3 )) 3.900 1.900 1.900 peak 821 spectrum 1 weight 0.10000E+01 volume 0.13342E-02 ppm1 2.145 ppm2 3.648 CV 1 ASSI { 822} (( segid " " and resid 1786 and name HB2 )) (( segid " " and resid 1786 and name HD3 )) 4.200 2.200 1.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 2.050 ppm2 3.935 CV 1 ASSI { 823} (( segid " " and resid 1689 and name HB2 )) (( segid " " and resid 1689 and name HD2 )) 3.400 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 2.148 ppm2 3.914 CV 1 ASSI { 825} (( segid " " and resid 1803 and name HB3 )) (( segid " " and resid 1803 and name HA )) 2.800 1.000 1.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.23941E-02 ppm1 2.052 ppm2 4.347 CV 1 ASSI { 826} (( segid " " and resid 1803 and name HB2 )) (( segid " " and resid 1804 and name HB )) 3.800 1.800 1.800 peak 826 spectrum 1 weight 0.10000E+01 volume 0.15205E-02 ppm1 2.143 ppm2 4.431 CV 1 ASSI { 829} (( segid " " and resid 1803 and name HB3 )) (( segid " " and resid 1804 and name H )) 2.900 1.000 1.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.14358E-02 ppm1 2.055 ppm2 8.532 CV 1 ASSI { 830} (( segid " " and resid 1803 and name HB2 )) (( segid " " and resid 1803 and name H )) 2.500 0.800 0.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.23060E-02 ppm1 2.127 ppm2 8.347 CV 1 ASSI { 834} (( segid " " and resid 1803 and name HA )) (( segid " " and resid 1806 and name H )) 3.000 1.200 1.200 peak 834 spectrum 1 weight 0.10000E+01 volume 0.12665E-02 ppm1 4.346 ppm2 7.955 CV 1 ASSI { 835} (( segid " " and resid 1803 and name HA )) (( segid " " and resid 1804 and name H )) 3.300 1.300 1.300 peak 835 spectrum 1 weight 0.10000E+01 volume 0.11344E-02 ppm1 4.345 ppm2 8.536 CV 1 ASSI { 836} (( segid " " and resid 1803 and name HA )) (( segid " " and resid 1771 and name HB2 )) 3.200 1.300 1.300 peak 836 spectrum 1 weight 0.10000E+01 volume 0.93120E-03 ppm1 4.348 ppm2 4.096 CV 1 ASSI { 837} (( segid " " and resid 1803 and name HG3 )) (( segid " " and resid 1771 and name H )) 4.100 2.100 1.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.52487E-03 ppm1 2.755 ppm2 8.543 CV 1 ASSI { 838} (( segid " " and resid 1803 and name HG3 )) (( segid " " and resid 1803 and name H )) 4.000 2.000 2.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.70433E-03 ppm1 2.760 ppm2 8.349 CV 1 ASSI { 840} (( segid " " and resid 1803 and name HG2 )) (( segid " " and resid 1771 and name H )) 3.200 3.200 2.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.63323E-03 ppm1 2.487 ppm2 8.544 CV 1 ASSI { 843} (( segid " " and resid 1803 and name HG3 )) (( segid " " and resid 1803 and name HA )) 2.700 0.900 0.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.30341E-02 ppm1 2.758 ppm2 4.348 CV 1 ASSI { 844} (( segid " " and resid 1803 and name HG2 )) (( segid " " and resid 1803 and name HA )) 2.600 0.800 0.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.24042E-02 ppm1 2.484 ppm2 4.349 CV 1 ASSI { 846} (( segid " " and resid 1757 and name HG2 )) (( segid " " and resid 1757 and name HA )) 2.800 1.000 1.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.34743E-02 ppm1 2.402 ppm2 4.173 CV 1 OR { 846} (( segid " " and resid 1757 and name HG3 )) (( segid " " and resid 1757 and name HA )) ASSI { 847} (( segid " " and resid 1803 and name HG3 )) (( segid " " and resid 1771 and name HB2 )) 3.400 1.500 1.500 peak 847 spectrum 1 weight 0.10000E+01 volume 0.77204E-03 ppm1 2.758 ppm2 4.082 CV 1 ASSI { 848} (( segid " " and resid 1803 and name HG3 )) (( segid " " and resid 1771 and name HB3 )) 3.100 1.200 1.200 peak 848 spectrum 1 weight 0.10000E+01 volume 0.84321E-03 ppm1 2.757 ppm2 3.827 CV 1 ASSI { 849} (( segid " " and resid 1803 and name HG2 )) (( segid " " and resid 1803 and name HG3 )) 1.700 0.400 0.500 peak 849 spectrum 1 weight 0.10000E+01 volume 0.11304E-01 ppm1 2.486 ppm2 2.761 CV 1 ASSI { 851} (( segid " " and resid 1803 and name HG3 )) (( segid " " and resid 1803 and name HB2 )) 2.600 0.800 0.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.18184E-02 ppm1 2.756 ppm2 2.132 CV 1 ASSI { 852} (( segid " " and resid 1803 and name HG3 )) (( segid " " and resid 1803 and name HB3 )) 2.700 0.900 0.900 peak 852 spectrum 1 weight 0.10000E+01 volume 0.56923E-02 ppm1 2.759 ppm2 2.060 CV 1 OR { 852} (( segid " " and resid 1803 and name HG3 )) ( segid " " and resid 1803 and name HE% ) ASSI { 854} (( segid " " and resid 1803 and name HG2 )) ( segid " " and resid 1803 and name HE% ) 2.000 0.500 0.500 peak 854 spectrum 1 weight 0.10000E+01 volume 0.71890E-02 ppm1 2.485 ppm2 2.060 CV 1 OR { 854} (( segid " " and resid 1803 and name HG2 )) (( segid " " and resid 1803 and name HB3 )) ASSI { 855} (( segid " " and resid 1803 and name HG3 )) ( segid " " and resid 1806 and name HB% ) 4.400 2.500 1.600 peak 855 spectrum 1 weight 0.10000E+01 volume 0.10836E-02 ppm1 2.759 ppm2 1.594 CV 1 ASSI { 856} (( segid " " and resid 1803 and name HG3 )) ( segid " " and resid 1775 and name HD2%) 3.000 1.100 1.100 peak 856 spectrum 1 weight 0.10000E+01 volume 0.87703E-03 ppm1 2.760 ppm2 0.889 CV 1 ASSI { 857} (( segid " " and resid 1803 and name HG2 )) ( segid " " and resid 1713 and name HD1%) 2.300 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.54857E-02 ppm1 2.484 ppm2 1.017 CV 1 ASSI { 858} (( segid " " and resid 1819 and name HA )) ( segid " " and resid 1818 and name HB% ) 4.000 2.000 2.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.76190E-03 ppm1 4.417 ppm2 1.419 CV 1 ASSI { 859} (( segid " " and resid 1774 and name HA )) (( segid " " and resid 1777 and name H )) 3.500 1.500 1.500 peak 859 spectrum 1 weight 0.10000E+01 volume 0.13850E-02 ppm1 4.272 ppm2 8.889 CV 1 ASSI { 860} (( segid " " and resid 1768 and name HA )) (( segid " " and resid 1771 and name H )) 3.000 1.200 1.200 peak 860 spectrum 1 weight 0.10000E+01 volume 0.12733E-02 ppm1 4.126 ppm2 8.541 CV 1 ASSI { 861} (( segid " " and resid 1802 and name HA )) (( segid " " and resid 1802 and name H )) 2.600 0.800 0.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.43683E-02 ppm1 4.259 ppm2 8.496 CV 1 ASSI { 863} (( segid " " and resid 1757 and name HA )) (( segid " " and resid 1758 and name H )) 3.400 1.500 1.500 peak 863 spectrum 1 weight 0.10000E+01 volume 0.96168E-03 ppm1 4.172 ppm2 8.336 CV 1 ASSI { 864} (( segid " " and resid 1802 and name HB2 )) (( segid " " and resid 1802 and name H )) 2.800 1.000 1.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.16593E-02 ppm1 2.251 ppm2 8.496 CV 1 ASSI { 865} (( segid " " and resid 1802 and name HB3 )) (( segid " " and resid 1802 and name H )) 3.300 1.400 1.400 peak 865 spectrum 1 weight 0.10000E+01 volume 0.20758E-02 ppm1 2.185 ppm2 8.495 CV 1 ASSI { 866} (( segid " " and resid 1802 and name HB3 )) (( segid " " and resid 1803 and name H )) 3.400 1.500 1.500 peak 866 spectrum 1 weight 0.10000E+01 volume 0.90078E-03 ppm1 2.192 ppm2 8.348 CV 1 ASSI { 868} (( segid " " and resid 1802 and name HG2 )) (( segid " " and resid 1802 and name H )) 3.200 1.200 1.200 peak 868 spectrum 1 weight 0.10000E+01 volume 0.26989E-02 ppm1 2.803 ppm2 8.496 CV 1 ASSI { 869} (( segid " " and resid 1802 and name HG3 )) (( segid " " and resid 1802 and name H )) 3.300 1.300 1.300 peak 869 spectrum 1 weight 0.10000E+01 volume 0.18421E-02 ppm1 2.698 ppm2 8.497 CV 1 ASSI { 870} (( segid " " and resid 1814 and name HG )) (( segid " " and resid 1814 and name H )) 2.500 0.800 0.800 peak 870 spectrum 1 weight 0.10000E+01 volume 0.41516E-02 ppm1 1.755 ppm2 8.479 CV 1 ASSI { 871} (( segid " " and resid 1774 and name HA )) (( segid " " and resid 1775 and name H )) 3.100 1.200 1.200 peak 871 spectrum 1 weight 0.10000E+01 volume 0.15746E-02 ppm1 4.274 ppm2 8.134 CV 1 ASSI { 873} (( segid " " and resid 1774 and name HA )) ( segid " " and resid 1777 and name HD% ) 3.200 1.300 1.300 peak 873 spectrum 1 weight 0.10000E+01 volume 0.21909E-02 ppm1 4.274 ppm2 7.166 CV 1 ASSI { 874} (( segid " " and resid 1736 and name HG3 )) (( segid " " and resid 1736 and name H )) 3.800 1.800 1.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.25803E-02 ppm1 2.211 ppm2 7.354 CV 1 ASSI { 877} (( segid " " and resid 1802 and name HA )) (( segid " " and resid 1806 and name H )) 4.200 2.200 1.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.52148E-03 ppm1 4.260 ppm2 7.959 CV 1 ASSI { 878} (( segid " " and resid 1802 and name HG3 )) (( segid " " and resid 1802 and name HA )) 3.000 1.100 1.100 peak 878 spectrum 1 weight 0.10000E+01 volume 0.25905E-02 ppm1 2.697 ppm2 4.257 CV 1 ASSI { 879} (( segid " " and resid 1802 and name HG2 )) (( segid " " and resid 1802 and name HA )) 2.900 1.100 1.100 peak 879 spectrum 1 weight 0.10000E+01 volume 0.26278E-02 ppm1 2.804 ppm2 4.255 CV 1 ASSI { 883} (( segid " " and resid 1736 and name HG3 )) (( segid " " and resid 1733 and name HA )) 4.400 2.500 1.600 peak 883 spectrum 1 weight 0.10000E+01 volume 0.10701E-02 ppm1 2.211 ppm2 3.931 CV 1 ASSI { 884} (( segid " " and resid 1774 and name HA )) (( segid " " and resid 1777 and name HB3 )) 3.800 1.800 1.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.18760E-02 ppm1 4.270 ppm2 3.155 CV 1 ASSI { 885} (( segid " " and resid 1774 and name HA )) (( segid " " and resid 1777 and name HB2 )) 2.500 0.800 0.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.23840E-02 ppm1 4.274 ppm2 3.075 CV 1 ASSI { 892} (( segid " " and resid 1802 and name HG2 )) (( segid " " and resid 1802 and name HG3 )) 1.800 0.400 0.400 peak 892 spectrum 1 weight 0.10000E+01 volume 0.19989E-01 ppm1 2.803 ppm2 2.709 CV 1 ASSI { 896} (( segid " " and resid 1802 and name HG2 )) (( segid " " and resid 1802 and name HB2 )) 2.800 1.000 1.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.43988E-02 ppm1 2.803 ppm2 2.247 CV 1 ASSI { 897} (( segid " " and resid 1802 and name HG2 )) (( segid " " and resid 1802 and name HB3 )) 2.800 0.900 0.900 peak 897 spectrum 1 weight 0.10000E+01 volume 0.26887E-02 ppm1 2.803 ppm2 2.185 CV 1 ASSI { 898} (( segid " " and resid 1802 and name HG3 )) (( segid " " and resid 1802 and name HB2 )) 2.700 0.900 0.900 peak 898 spectrum 1 weight 0.10000E+01 volume 0.26955E-02 ppm1 2.697 ppm2 2.249 CV 1 ASSI { 899} (( segid " " and resid 1802 and name HG3 )) (( segid " " and resid 1802 and name HB3 )) 3.200 1.300 1.300 peak 899 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 2.696 ppm2 2.185 CV 1 ASSI { 901} (( segid " " and resid 1802 and name HA )) (( segid " " and resid 1802 and name HB3 )) 2.600 0.800 0.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.47103E-02 ppm1 4.257 ppm2 2.186 CV 1 ASSI { 903} (( segid " " and resid 1736 and name HG3 )) (( segid " " and resid 1736 and name HB2 )) 2.600 0.900 0.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.26785E-02 ppm1 2.213 ppm2 1.915 CV 1 ASSI { 904} (( segid " " and resid 1736 and name HG3 )) (( segid " " and resid 1736 and name HG2 )) 1.800 0.400 0.400 peak 904 spectrum 1 weight 0.10000E+01 volume 0.19671E-01 ppm1 2.212 ppm2 1.811 CV 1 ASSI { 905} (( segid " " and resid 1774 and name HA )) ( segid " " and resid 1778 and name HG2%) 3.900 1.900 1.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.58921E-03 ppm1 4.268 ppm2 1.278 CV 1 ASSI { 906} (( segid " " and resid 1802 and name HG3 )) ( segid " " and resid 1799 and name HB% ) 4.100 2.100 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.13545E-03 ppm1 2.701 ppm2 1.561 CV 1 ASSI { 907} (( segid " " and resid 1734 and name HA )) ( segid " " and resid 1712 and name HD2%) 2.400 0.700 0.700 peak 907 spectrum 1 weight 0.10000E+01 volume 0.50963E-02 ppm1 4.040 ppm2 0.994 CV 1 OR { 907} (( segid " " and resid 1734 and name HA )) ( segid " " and resid 1712 and name HD1%) ASSI { 908} (( segid " " and resid 1801 and name HG3 )) ( segid " " and resid 1800 and name HG2%) 3.900 1.900 1.900 peak 908 spectrum 1 weight 0.10000E+01 volume 0.94814E-03 ppm1 2.446 ppm2 0.894 CV 1 OR { 908} (( segid " " and resid 1801 and name HG2 )) ( segid " " and resid 1800 and name HG2%) ASSI { 910} (( segid " " and resid 1774 and name HB3 )) ( segid " " and resid 1799 and name HB% ) 3.500 1.500 1.500 peak 910 spectrum 1 weight 0.10000E+01 volume 0.98876E-03 ppm1 2.246 ppm2 1.570 CV 1 OR { 910} (( segid " " and resid 1774 and name HB2 )) ( segid " " and resid 1799 and name HB% ) ASSI { 913} (( segid " " and resid 1774 and name HG3 )) ( segid " " and resid 1778 and name HG2%) 3.000 1.100 1.100 peak 913 spectrum 1 weight 0.10000E+01 volume 0.15509E-02 ppm1 2.442 ppm2 1.275 CV 1 ASSI { 916} (( segid " " and resid 1740 and name HG2 )) (( segid " " and resid 1740 and name HB3 )) 3.100 1.200 1.200 peak 916 spectrum 1 weight 0.10000E+01 volume 0.32441E-02 ppm1 2.315 ppm2 1.892 CV 1 ASSI { 918} (( segid " " and resid 1774 and name HB3 )) (( segid " " and resid 1774 and name HG2 )) 2.600 0.800 0.800 peak 918 spectrum 1 weight 0.10000E+01 volume 0.37385E-02 ppm1 2.267 ppm2 2.571 CV 1 OR { 918} (( segid " " and resid 1774 and name HB2 )) (( segid " " and resid 1774 and name HG2 )) ASSI { 920} (( segid " " and resid 1701 and name HA )) (( segid " " and resid 1701 and name HG2 )) 3.300 1.400 1.400 peak 920 spectrum 1 weight 0.10000E+01 volume 0.19403E-02 ppm1 4.050 ppm2 2.620 CV 1 ASSI { 922} (( segid " " and resid 1740 and name HG2 )) (( segid " " and resid 1740 and name HD2 )) 2.500 0.800 0.800 peak 922 spectrum 1 weight 0.10000E+01 volume 0.27395E-02 ppm1 2.312 ppm2 3.935 CV 1 ASSI { 923} (( segid " " and resid 1801 and name HB3 )) (( segid " " and resid 1801 and name HA )) 2.300 0.700 0.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.84995E-02 ppm1 2.252 ppm2 4.081 CV 1 OR { 923} (( segid " " and resid 1801 and name HB2 )) (( segid " " and resid 1801 and name HA )) ASSI { 924} (( segid " " and resid 1801 and name HG2 )) (( segid " " and resid 1801 and name HA )) 2.400 0.700 0.700 peak 924 spectrum 1 weight 0.10000E+01 volume 0.63053E-02 ppm1 2.467 ppm2 4.080 CV 1 OR { 924} (( segid " " and resid 1801 and name HG3 )) (( segid " " and resid 1801 and name HA )) ASSI { 925} (( segid " " and resid 1774 and name HG3 )) (( segid " " and resid 1774 and name HA )) 2.600 0.800 0.800 peak 925 spectrum 1 weight 0.10000E+01 volume 0.35860E-02 ppm1 2.443 ppm2 4.272 CV 1 ASSI { 926} (( segid " " and resid 1774 and name HB2 )) (( segid " " and resid 1774 and name HA )) 2.500 0.800 0.800 peak 926 spectrum 1 weight 0.10000E+01 volume 0.43311E-02 ppm1 2.240 ppm2 4.270 CV 1 OR { 926} (( segid " " and resid 1774 and name HB3 )) (( segid " " and resid 1774 and name HA )) ASSI { 928} (( segid " " and resid 1801 and name HA )) (( segid " " and resid 1804 and name HB )) 2.700 0.900 0.900 peak 928 spectrum 1 weight 0.10000E+01 volume 0.50421E-02 ppm1 4.066 ppm2 4.424 CV 1 ASSI { 930} (( segid " " and resid 1774 and name HG3 )) (( segid " " and resid 1774 and name H )) 3.800 1.800 1.800 peak 930 spectrum 1 weight 0.10000E+01 volume 0.17473E-02 ppm1 2.443 ppm2 7.616 CV 1 ASSI { 931} (( segid " " and resid 1801 and name HA )) (( segid " " and resid 1801 and name H )) 2.300 0.700 0.700 peak 931 spectrum 1 weight 0.10000E+01 volume 0.70774E-02 ppm1 4.068 ppm2 8.078 CV 1 ASSI { 932} (( segid " " and resid 1801 and name HB2 )) (( segid " " and resid 1801 and name H )) 2.200 0.600 0.600 peak 932 spectrum 1 weight 0.10000E+01 volume 0.73822E-02 ppm1 2.252 ppm2 8.085 CV 1 ASSI { 933} (( segid " " and resid 1801 and name HG3 )) (( segid " " and resid 1801 and name H )) 2.500 0.800 0.800 peak 933 spectrum 1 weight 0.10000E+01 volume 0.42328E-02 ppm1 2.463 ppm2 8.083 CV 1 OR { 933} (( segid " " and resid 1801 and name HG2 )) (( segid " " and resid 1801 and name H )) ASSI { 935} (( segid " " and resid 1798 and name HA )) (( segid " " and resid 1798 and name H )) 2.500 0.800 0.800 peak 935 spectrum 1 weight 0.10000E+01 volume 0.55873E-02 ppm1 4.102 ppm2 8.203 CV 1 ASSI { 936} (( segid " " and resid 1701 and name HA )) (( segid " " and resid 1701 and name H )) 2.500 0.800 0.800 peak 936 spectrum 1 weight 0.10000E+01 volume 0.56720E-02 ppm1 4.056 ppm2 8.302 CV 1 ASSI { 938} (( segid " " and resid 1774 and name HB3 )) (( segid " " and resid 1775 and name H )) 2.900 1.000 1.000 peak 938 spectrum 1 weight 0.10000E+01 volume 0.22553E-02 ppm1 2.238 ppm2 8.151 CV 1 OR { 938} (( segid " " and resid 1774 and name HB2 )) (( segid " " and resid 1775 and name H )) ASSI { 939} (( segid " " and resid 1774 and name HG3 )) (( segid " " and resid 1775 and name H )) 3.500 1.600 1.600 peak 939 spectrum 1 weight 0.10000E+01 volume 0.12597E-02 ppm1 2.452 ppm2 8.159 CV 1 ASSI { 940} (( segid " " and resid 1801 and name HG3 )) (( segid " " and resid 1802 and name H )) 3.800 1.800 1.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.17948E-02 ppm1 2.464 ppm2 8.497 CV 1 OR { 940} (( segid " " and resid 1801 and name HG2 )) (( segid " " and resid 1802 and name H )) ASSI { 941} (( segid " " and resid 1801 and name HB2 )) (( segid " " and resid 1802 and name H )) 2.700 0.900 0.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.39213E-02 ppm1 2.250 ppm2 8.496 CV 1 OR { 941} (( segid " " and resid 1801 and name HB3 )) (( segid " " and resid 1802 and name H )) ASSI { 948} ( segid " " and resid 1800 and name HG1%) ( segid " " and resid 1775 and name HD2%) 3.400 1.400 1.400 peak 948 spectrum 1 weight 0.10000E+01 volume 0.31459E-02 ppm1 0.983 ppm2 0.876 CV 1 ASSI { 951} ( segid " " and resid 1800 and name HG2%) ( segid " " and resid 1717 and name HB% ) 2.800 1.000 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.31493E-02 ppm1 0.892 ppm2 1.457 CV 1 ASSI { 952} ( segid " " and resid 1800 and name HG2%) ( segid " " and resid 1799 and name HB% ) 4.800 2.900 1.200 peak 952 spectrum 1 weight 0.10000E+01 volume 0.40974E-03 ppm1 0.896 ppm2 1.569 CV 1 ASSI { 953} (( segid " " and resid 1800 and name HA )) ( segid " " and resid 1799 and name HB% ) 3.600 1.600 1.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.10125E-02 ppm1 3.413 ppm2 1.569 CV 1 ASSI { 955} ( segid " " and resid 1800 and name HG1%) (( segid " " and resid 1796 and name HB3 )) 2.900 2.900 3.100 peak 955 spectrum 1 weight 0.10000E+01 volume 0.10802E-02 ppm1 0.980 ppm2 1.894 CV 1 ASSI { 956} (( segid " " and resid 1800 and name HA )) (( segid " " and resid 1800 and name HB )) 2.700 0.900 0.900 peak 956 spectrum 1 weight 0.10000E+01 volume 0.25228E-02 ppm1 3.409 ppm2 2.275 CV 1 ASSI { 957} (( segid " " and resid 1800 and name HA )) (( segid " " and resid 1803 and name HB2 )) 2.800 1.000 1.000 peak 957 spectrum 1 weight 0.10000E+01 volume 0.15001E-02 ppm1 3.410 ppm2 2.124 CV 1 ASSI { 958} (( segid " " and resid 1800 and name HA )) (( segid " " and resid 1803 and name HB3 )) 3.600 1.600 1.600 peak 958 spectrum 1 weight 0.10000E+01 volume 0.15644E-02 ppm1 3.411 ppm2 2.058 CV 1 ASSI { 959} ( segid " " and resid 1800 and name HG2%) (( segid " " and resid 1800 and name HB )) 2.100 0.500 0.500 peak 959 spectrum 1 weight 0.10000E+01 volume 0.12079E-01 ppm1 0.891 ppm2 2.277 CV 1 ASSI { 960} ( segid " " and resid 1800 and name HG1%) (( segid " " and resid 1800 and name HB )) 2.100 0.500 0.500 peak 960 spectrum 1 weight 0.10000E+01 volume 0.11849E-01 ppm1 0.980 ppm2 2.279 CV 1 ASSI { 961} ( segid " " and resid 1800 and name HG2%) (( segid " " and resid 1800 and name HA )) 2.300 0.700 0.700 peak 961 spectrum 1 weight 0.10000E+01 volume 0.71549E-02 ppm1 0.892 ppm2 3.410 CV 1 ASSI { 962} ( segid " " and resid 1800 and name HG1%) (( segid " " and resid 1800 and name HA )) 2.600 0.800 0.800 peak 962 spectrum 1 weight 0.10000E+01 volume 0.98067E-02 ppm1 0.983 ppm2 3.410 CV 1 ASSI { 964} ( segid " " and resid 1800 and name HG2%) (( segid " " and resid 1801 and name HA )) 2.800 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.29901E-02 ppm1 0.893 ppm2 4.075 CV 1 ASSI { 965} ( segid " " and resid 1800 and name HG2%) (( segid " " and resid 1797 and name HA )) 3.900 1.900 1.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.24957E-02 ppm1 0.889 ppm2 3.982 CV 1 ASSI { 967} ( segid " " and resid 1741 and name HD2%) (( segid " " and resid 1702 and name HA )) 2.400 0.700 0.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.70604E-02 ppm1 0.989 ppm2 3.858 CV 1 ASSI { 969} ( segid " " and resid 1800 and name HG2%) (( segid " " and resid 1801 and name H )) 3.200 1.300 1.300 peak 969 spectrum 1 weight 0.10000E+01 volume 0.29630E-02 ppm1 0.891 ppm2 8.082 CV 1 ASSI { 970} ( segid " " and resid 1741 and name HD2%) (( segid " " and resid 1744 and name H )) 3.500 1.500 1.500 peak 970 spectrum 1 weight 0.10000E+01 volume 0.16119E-02 ppm1 0.984 ppm2 8.099 CV 1 ASSI { 971} (( segid " " and resid 1800 and name HB )) (( segid " " and resid 1801 and name H )) 3.300 1.300 1.300 peak 971 spectrum 1 weight 0.10000E+01 volume 0.26108E-02 ppm1 2.277 ppm2 8.083 CV 1 ASSI { 972} (( segid " " and resid 1800 and name HA )) (( segid " " and resid 1801 and name H )) 3.300 1.400 1.400 peak 972 spectrum 1 weight 0.10000E+01 volume 0.10295E-02 ppm1 3.410 ppm2 8.083 CV 1 ASSI { 973} (( segid " " and resid 1800 and name HA )) (( segid " " and resid 1803 and name H )) 3.400 1.500 1.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 3.410 ppm2 8.348 CV 1 ASSI { 974} (( segid " " and resid 1683 and name HB )) (( segid " " and resid 1683 and name H )) 2.500 0.800 0.800 peak 974 spectrum 1 weight 0.10000E+01 volume 0.45613E-02 ppm1 2.310 ppm2 8.362 CV 1 ASSI { 975} ( segid " " and resid 1800 and name HG2%) (( segid " " and resid 1800 and name H )) 3.400 1.400 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.36944E-02 ppm1 0.890 ppm2 8.548 CV 1 ASSI { 976} ( segid " " and resid 1800 and name HG1%) (( segid " " and resid 1800 and name H )) 2.200 0.600 0.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.93902E-02 ppm1 0.981 ppm2 8.549 CV 1 ASSI { 978} (( segid " " and resid 1800 and name HA )) (( segid " " and resid 1800 and name H )) 2.600 0.900 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 3.409 ppm2 8.548 CV 1 ASSI { 979} (( segid " " and resid 1799 and name HA )) (( segid " " and resid 1802 and name H )) 2.900 1.000 1.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.24347E-02 ppm1 4.247 ppm2 8.499 CV 1 ASSI { 981} ( segid " " and resid 1799 and name HB% ) (( segid " " and resid 1800 and name H )) 2.500 0.800 0.800 peak 981 spectrum 1 weight 0.10000E+01 volume 0.48221E-02 ppm1 1.567 ppm2 8.546 CV 1 ASSI { 984} ( segid " " and resid 1749 and name HB% ) (( segid " " and resid 1750 and name H )) 2.600 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.32677E-02 ppm1 1.586 ppm2 8.435 CV 1 ASSI { 985} ( segid " " and resid 1795 and name HB% ) (( segid " " and resid 1796 and name H )) 2.500 0.800 0.800 peak 985 spectrum 1 weight 0.10000E+01 volume 0.59327E-02 ppm1 1.518 ppm2 8.182 CV 1 ASSI { 986} ( segid " " and resid 1795 and name HB% ) (( segid " " and resid 1795 and name H )) 2.200 0.600 0.600 peak 986 spectrum 1 weight 0.10000E+01 volume 0.12844E-01 ppm1 1.519 ppm2 8.029 CV 1 ASSI { 987} ( segid " " and resid 1697 and name HB% ) (( segid " " and resid 1697 and name H )) 2.200 0.600 0.600 peak 987 spectrum 1 weight 0.10000E+01 volume 0.95563E-02 ppm1 1.509 ppm2 7.948 CV 1 ASSI { 988} ( segid " " and resid 1720 and name HB% ) (( segid " " and resid 1721 and name H )) 2.700 0.900 0.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.33998E-02 ppm1 1.552 ppm2 7.610 CV 1 ASSI { 990} ( segid " " and resid 1705 and name HB% ) (( segid " " and resid 1705 and name H )) 2.200 0.600 0.600 peak 990 spectrum 1 weight 0.10000E+01 volume 0.10961E-01 ppm1 1.571 ppm2 7.456 CV 1 ASSI { 991} ( segid " " and resid 1705 and name HB% ) ( segid " " and resid 1737 and name HD% ) 3.400 1.500 1.500 peak 991 spectrum 1 weight 0.10000E+01 volume 0.16356E-02 ppm1 1.571 ppm2 7.182 CV 1 ASSI { 992} ( segid " " and resid 1799 and name HB% ) (( segid " " and resid 1799 and name HA )) 2.000 0.500 0.500 peak 992 spectrum 1 weight 0.10000E+01 volume 0.20314E-01 ppm1 1.571 ppm2 4.237 CV 1 ASSI { 993} ( segid " " and resid 1705 and name HB% ) (( segid " " and resid 1705 and name HA )) 2.000 0.500 0.500 peak 993 spectrum 1 weight 0.10000E+01 volume 0.19624E-01 ppm1 1.570 ppm2 3.957 CV 1 ASSI { 994} ( segid " " and resid 1720 and name HB% ) (( segid " " and resid 1720 and name HA )) 2.000 0.500 0.500 peak 994 spectrum 1 weight 0.10000E+01 volume 0.16769E-01 ppm1 1.554 ppm2 3.835 CV 1 ASSI { 995} ( segid " " and resid 1749 and name HB% ) (( segid " " and resid 1746 and name HA )) 2.500 0.800 0.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.39484E-02 ppm1 1.584 ppm2 3.491 CV 1 ASSI { 996} (( segid " " and resid 1760 and name HA )) (( segid " " and resid 1763 and name HB2 )) 3.100 3.100 2.900 peak 996 spectrum 1 weight 0.10000E+01 volume 0.35420E-02 ppm1 4.247 ppm2 2.850 CV 1 ASSI { 997} ( segid " " and resid 1744 and name HB% ) (( segid " " and resid 1702 and name HG2 )) 2.500 0.800 0.800 peak 997 spectrum 1 weight 0.10000E+01 volume 0.32441E-02 ppm1 1.574 ppm2 2.896 CV 1 ASSI { 998} (( segid " " and resid 1666 and name HA )) (( segid " " and resid 1669 and name HB2 )) 2.500 0.800 0.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.43446E-02 ppm1 4.245 ppm2 2.682 CV 1 ASSI { 999} ( segid " " and resid 1744 and name HB% ) (( segid " " and resid 1702 and name HG3 )) 2.500 0.800 0.800 peak 999 spectrum 1 weight 0.10000E+01 volume 0.11141E-01 ppm1 1.571 ppm2 2.334 CV 1 ASSI { 1003} ( segid " " and resid 1749 and name HB% ) ( segid " " and resid 1762 and name HD1%) 2.400 0.700 0.700 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.12120E-01 ppm1 1.584 ppm2 0.762 CV 1 ASSI { 1004} (( segid " " and resid 1666 and name HA )) ( segid " " and resid 1665 and name HG2%) 2.900 1.100 1.100 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.21841E-02 ppm1 4.240 ppm2 0.837 CV 1 ASSI { 1006} (( segid " " and resid 1798 and name HA )) (( segid " " and resid 1798 and name HB3 )) 2.300 0.700 0.700 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.76939E-02 ppm1 4.098 ppm2 2.151 CV 1 ASSI { 1007} (( segid " " and resid 1781 and name HB3 )) (( segid " " and resid 1781 and name HG2 )) 2.100 0.500 0.500 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.17815E-01 ppm1 2.162 ppm2 2.328 CV 1 OR { 1007} (( segid " " and resid 1781 and name HB2 )) (( segid " " and resid 1781 and name HG3 )) OR { 1007} (( segid " " and resid 1781 and name HB2 )) (( segid " " and resid 1781 and name HG2 )) OR { 1007} (( segid " " and resid 1781 and name HB3 )) (( segid " " and resid 1781 and name HG3 )) ASSI { 1008} (( segid " " and resid 1723 and name HG2 )) (( segid " " and resid 1723 and name HB2 )) 2.300 0.700 0.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.77578E-02 ppm1 2.260 ppm2 1.866 CV 1 OR { 1008} (( segid " " and resid 1723 and name HG3 )) (( segid " " and resid 1723 and name HB2 )) ASSI { 1010} (( segid " " and resid 1673 and name HB2 )) (( segid " " and resid 1673 and name HA )) 2.200 0.600 0.600 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.11469E-01 ppm1 2.095 ppm2 4.225 CV 1 OR { 1010} (( segid " " and resid 1673 and name HB3 )) (( segid " " and resid 1673 and name HA )) ASSI { 1011} (( segid " " and resid 1696 and name HG2 )) (( segid " " and resid 1696 and name HA )) 2.800 1.000 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.44495E-02 ppm1 2.373 ppm2 4.108 CV 1 ASSI { 1012} (( segid " " and resid 1723 and name HG3 )) (( segid " " and resid 1723 and name HA )) 2.700 0.900 0.900 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.42802E-02 ppm1 2.259 ppm2 4.838 CV 1 OR { 1012} (( segid " " and resid 1723 and name HG2 )) (( segid " " and resid 1723 and name HA )) ASSI { 1013} (( segid " " and resid 1781 and name HB2 )) (( segid " " and resid 1781 and name H )) 2.300 0.600 0.600 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.81171E-02 ppm1 2.163 ppm2 7.395 CV 1 OR { 1013} (( segid " " and resid 1781 and name HB3 )) (( segid " " and resid 1781 and name H )) ASSI { 1015} (( segid " " and resid 1798 and name HG2 )) (( segid " " and resid 1798 and name H )) 3.000 1.100 1.100 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 2.260 ppm2 8.205 CV 1 ASSI { 1016} (( segid " " and resid 1798 and name HG3 )) (( segid " " and resid 1798 and name H )) 2.700 0.900 0.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.44699E-02 ppm1 2.428 ppm2 8.198 CV 1 ASSI { 1017} (( segid " " and resid 1662 and name HB3 )) (( segid " " and resid 1663 and name H )) 2.800 1.000 1.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.19099E-02 ppm1 2.135 ppm2 8.564 CV 1 ASSI { 1019} (( segid " " and resid 1797 and name HA )) (( segid " " and resid 1797 and name H )) 2.600 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.41448E-02 ppm1 3.982 ppm2 7.955 CV 1 ASSI { 1020} (( segid " " and resid 1797 and name HB3 )) (( segid " " and resid 1797 and name H )) 3.300 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.36335E-02 ppm1 2.158 ppm2 7.956 CV 1 ASSI { 1021} (( segid " " and resid 1797 and name HG2 )) (( segid " " and resid 1797 and name H )) 2.900 1.100 1.100 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.33456E-02 ppm1 2.459 ppm2 7.953 CV 1 ASSI { 1022} (( segid " " and resid 1797 and name HG3 )) (( segid " " and resid 1797 and name H )) 2.600 0.900 0.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.39552E-02 ppm1 2.360 ppm2 7.955 CV 1 ASSI { 1023} (( segid " " and resid 1797 and name HB2 )) (( segid " " and resid 1798 and name H )) 2.600 0.900 0.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.29698E-02 ppm1 2.111 ppm2 8.202 CV 1 ASSI { 1026} (( segid " " and resid 1780 and name HA )) (( segid " " and resid 1658 and name HE22)) 3.100 1.200 1.200 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 3.970 ppm2 7.337 CV 1 ASSI { 1029} (( segid " " and resid 1797 and name HB3 )) (( segid " " and resid 1797 and name HA )) 2.300 0.700 0.700 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.66032E-02 ppm1 2.156 ppm2 3.991 CV 1 ASSI { 1030} (( segid " " and resid 1797 and name HB2 )) (( segid " " and resid 1797 and name HA )) 2.700 0.900 0.900 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.47238E-02 ppm1 2.109 ppm2 3.980 CV 1 ASSI { 1031} (( segid " " and resid 1757 and name HB2 )) (( segid " " and resid 1754 and name HB3 )) 2.800 1.000 1.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.38468E-02 ppm1 2.138 ppm2 3.833 CV 1 OR { 1031} (( segid " " and resid 1757 and name HB3 )) (( segid " " and resid 1754 and name HB3 )) ASSI { 1033} (( segid " " and resid 1658 and name HB3 )) (( segid " " and resid 1658 and name HA )) 2.600 0.800 0.800 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.49236E-02 ppm1 2.196 ppm2 3.916 CV 1 OR { 1033} (( segid " " and resid 1658 and name HB2 )) (( segid " " and resid 1658 and name HA )) ASSI { 1034} (( segid " " and resid 1797 and name HA )) (( segid " " and resid 1797 and name HG2 )) 2.700 0.900 0.900 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.30815E-02 ppm1 3.978 ppm2 2.452 CV 1 ASSI { 1035} (( segid " " and resid 1797 and name HA )) (( segid " " and resid 1797 and name HG3 )) 3.000 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.36775E-02 ppm1 3.979 ppm2 2.356 CV 1 ASSI { 1036} (( segid " " and resid 1797 and name HA )) (( segid " " and resid 1800 and name HB )) 2.700 2.700 3.300 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.66100E-02 ppm1 3.980 ppm2 2.277 CV 1 ASSI { 1037} (( segid " " and resid 1695 and name HA )) (( segid " " and resid 1695 and name HG3 )) 2.300 0.700 0.700 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.93494E-02 ppm1 3.975 ppm2 2.103 CV 1 ASSI { 1038} (( segid " " and resid 1658 and name HA )) (( segid " " and resid 1658 and name HG3 )) 2.800 1.000 1.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.27361E-02 ppm1 3.912 ppm2 2.455 CV 1 ASSI { 1039} (( segid " " and resid 1658 and name HA )) (( segid " " and resid 1658 and name HG2 )) 3.200 1.300 1.300 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.22654E-02 ppm1 3.914 ppm2 2.313 CV 1 ASSI { 1041} (( segid " " and resid 1780 and name HA )) (( segid " " and resid 1780 and name HB3 )) 2.700 0.900 0.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.52013E-02 ppm1 3.968 ppm2 1.930 CV 1 ASSI { 1042} (( segid " " and resid 1797 and name HB2 )) (( segid " " and resid 1797 and name HG2 )) 2.500 0.800 0.800 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.85975E-02 ppm1 2.107 ppm2 2.457 CV 1 ASSI { 1044} (( segid " " and resid 1797 and name HB3 )) (( segid " " and resid 1797 and name HG2 )) 2.300 0.600 0.600 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.10017E-01 ppm1 2.153 ppm2 2.441 CV 1 ASSI { 1045} (( segid " " and resid 1696 and name HB2 )) (( segid " " and resid 1696 and name HG2 )) 2.500 0.800 0.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.85437E-02 ppm1 2.103 ppm2 2.362 CV 1 ASSI { 1046} (( segid " " and resid 1658 and name HB3 )) (( segid " " and resid 1658 and name HG2 )) 2.100 0.600 0.600 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.13508E-01 ppm1 2.187 ppm2 2.311 CV 1 OR { 1046} (( segid " " and resid 1658 and name HB2 )) (( segid " " and resid 1658 and name HG2 )) ASSI { 1047} (( segid " " and resid 1797 and name HA )) ( segid " " and resid 1800 and name HG1%) 2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.38231E-02 ppm1 3.981 ppm2 0.983 CV 1 ASSI { 1049} (( segid " " and resid 1650 and name HA )) ( segid " " and resid 1650 and name HG2%) 3.300 1.400 1.400 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.17168E-02 ppm1 4.227 ppm2 0.891 CV 1 ASSI { 1050} (( segid " " and resid 1650 and name HB )) ( segid " " and resid 1650 and name HG2%) 3.000 1.100 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.20554E-02 ppm1 1.838 ppm2 0.895 CV 1 ASSI { 1051} (( segid " " and resid 1650 and name HG12)) ( segid " " and resid 1650 and name HG2%) 3.800 1.800 1.800 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.46054E-03 ppm1 1.165 ppm2 0.892 CV 1 ASSI { 1052} (( segid " " and resid 1650 and name HG13)) ( segid " " and resid 1650 and name HG2%) 3.400 1.500 1.500 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.19675E-02 ppm1 1.444 ppm2 0.889 CV 1 ASSI { 1053} (( segid " " and resid 1650 and name HG13)) (( segid " " and resid 1650 and name HG12)) 2.100 0.600 0.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.53706E-02 ppm1 1.461 ppm2 1.179 CV 1 ASSI { 1056} (( segid " " and resid 1650 and name HA )) (( segid " " and resid 1650 and name HB )) 3.200 1.300 1.300 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.12089E-02 ppm1 4.223 ppm2 1.842 CV 1 ASSI { 1058} (( segid " " and resid 1650 and name HA )) (( segid " " and resid 1651 and name H )) 2.900 1.100 1.100 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.24856E-02 ppm1 4.224 ppm2 8.407 CV 1 ASSI { 1059} (( segid " " and resid 1651 and name HA )) (( segid " " and resid 1651 and name HB2 )) 3.100 1.200 1.200 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.23738E-02 ppm1 4.897 ppm2 2.760 CV 1 ASSI { 1060} (( segid " " and resid 1651 and name HA )) (( segid " " and resid 1651 and name HB3 )) 2.700 0.900 0.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.29325E-02 ppm1 4.898 ppm2 2.572 CV 1 ASSI { 1061} (( segid " " and resid 1651 and name HB3 )) (( segid " " and resid 1651 and name HB2 )) 1.900 0.500 0.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.14148E-01 ppm1 2.556 ppm2 2.761 CV 1 ASSI { 1064} (( segid " " and resid 1651 and name HA )) (( segid " " and resid 1652 and name HD2 )) 2.200 0.600 0.600 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.10552E-01 ppm1 4.899 ppm2 3.879 CV 1 ASSI { 1065} (( segid " " and resid 1651 and name HA )) (( segid " " and resid 1652 and name HD3 )) 2.300 0.700 0.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.82117E-02 ppm1 4.898 ppm2 3.756 CV 1 ASSI { 1069} (( segid " " and resid 1651 and name HB3 )) (( segid " " and resid 1651 and name H )) 4.000 2.000 2.000 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.66371E-03 ppm1 2.570 ppm2 8.411 CV 1 ASSI { 1070} (( segid " " and resid 1730 and name HB3 )) ( segid " " and resid 1712 and name HD1%) 2.800 1.000 1.000 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.14629E-02 ppm1 1.685 ppm2 1.001 CV 1 OR { 1070} (( segid " " and resid 1730 and name HB3 )) ( segid " " and resid 1712 and name HD2%) ASSI { 1071} (( segid " " and resid 1665 and name HG12)) ( segid " " and resid 1773 and name HD1%) 3.200 1.300 1.300 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 1.687 ppm2 0.914 CV 1 ASSI { 1073} (( segid " " and resid 1665 and name HG12)) (( segid " " and resid 1665 and name HG13)) 2.100 0.600 0.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.32745E-02 ppm1 1.700 ppm2 0.599 CV 1 ASSI { 1075} (( segid " " and resid 1675 and name HG )) ( segid " " and resid 1675 and name HD2%) 2.500 0.800 0.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.36436E-02 ppm1 1.956 ppm2 0.953 CV 1 ASSI { 1077} (( segid " " and resid 1652 and name HB2 )) (( segid " " and resid 1652 and name HB3 )) 2.000 0.500 0.500 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.81606E-02 ppm1 2.185 ppm2 1.684 CV 1 ASSI { 1078} (( segid " " and resid 1652 and name HB2 )) (( segid " " and resid 1652 and name HG3 )) 3.500 1.600 1.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.12766E-02 ppm1 2.185 ppm2 1.773 CV 1 ASSI { 1079} (( segid " " and resid 1671 and name HA )) ( segid " " and resid 1742 and name HG2%) 2.600 0.900 0.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.40466E-02 ppm1 4.363 ppm2 1.318 CV 1 ASSI { 1081} (( segid " " and resid 1652 and name HA )) (( segid " " and resid 1652 and name HB3 )) 2.600 0.900 0.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.30984E-02 ppm1 4.369 ppm2 1.684 CV 1 ASSI { 1082} (( segid " " and resid 1652 and name HA )) (( segid " " and resid 1652 and name HB2 )) 2.600 0.800 0.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.83131E-02 ppm1 4.369 ppm2 2.183 CV 1 ASSI { 1083} (( segid " " and resid 1652 and name HD3 )) (( segid " " and resid 1652 and name HG2 )) 3.400 1.400 1.400 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.17811E-02 ppm1 3.753 ppm2 1.932 CV 1 ASSI { 1084} (( segid " " and resid 1652 and name HD3 )) (( segid " " and resid 1652 and name HG3 )) 2.500 0.800 0.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.31932E-02 ppm1 3.754 ppm2 1.770 CV 1 ASSI { 1085} (( segid " " and resid 1652 and name HD3 )) (( segid " " and resid 1652 and name HB3 )) 3.700 1.700 1.700 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.94140E-03 ppm1 3.761 ppm2 1.679 CV 1 ASSI { 1086} (( segid " " and resid 1656 and name HD2 )) (( segid " " and resid 1656 and name HG2 )) 2.500 0.800 0.800 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.32982E-02 ppm1 3.707 ppm2 2.062 CV 1 ASSI { 1087} (( segid " " and resid 1656 and name HD2 )) (( segid " " and resid 1656 and name HB2 )) 3.000 1.100 1.100 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 3.707 ppm2 1.856 CV 1 ASSI { 1088} (( segid " " and resid 1652 and name HD2 )) (( segid " " and resid 1652 and name HG2 )) 2.400 0.700 0.700 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.37858E-02 ppm1 3.878 ppm2 1.934 CV 1 ASSI { 1089} (( segid " " and resid 1652 and name HD2 )) (( segid " " and resid 1652 and name HG3 )) 3.300 1.400 1.400 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.18861E-02 ppm1 3.881 ppm2 1.770 CV 1 ASSI { 1090} (( segid " " and resid 1675 and name HG )) (( segid " " and resid 1675 and name HB3 )) 3.400 1.500 1.500 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.84995E-03 ppm1 1.939 ppm2 1.384 CV 1 ASSI { 1091} (( segid " " and resid 1675 and name HG )) ( segid " " and resid 1742 and name HG2%) 2.500 0.800 0.800 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.30138E-02 ppm1 1.956 ppm2 1.318 CV 1 ASSI { 1092} (( segid " " and resid 1652 and name HB3 )) (( segid " " and resid 1652 and name HG3 )) 2.200 0.600 0.600 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.75278E-02 ppm1 1.683 ppm2 1.771 CV 1 ASSI { 1093} (( segid " " and resid 1730 and name HB3 )) (( segid " " and resid 1730 and name HG3 )) 2.600 0.900 0.900 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.19675E-02 ppm1 1.668 ppm2 1.465 CV 1 ASSI { 1097} (( segid " " and resid 1671 and name HA )) (( segid " " and resid 1671 and name HB2 )) 2.700 0.900 0.900 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.40737E-02 ppm1 4.362 ppm2 3.246 CV 1 OR { 1097} (( segid " " and resid 1671 and name HA )) (( segid " " and resid 1671 and name HB3 )) ASSI { 1098} (( segid " " and resid 1671 and name HA )) (( segid " " and resid 1674 and name HB2 )) 3.000 1.200 1.200 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.18557E-02 ppm1 4.365 ppm2 2.968 CV 1 ASSI { 1100} (( segid " " and resid 1715 and name HB3 )) (( segid " " and resid 1715 and name HD2 )) 3.900 1.900 1.900 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.11107E-02 ppm1 1.687 ppm2 3.610 CV 1 ASSI { 1102} (( segid " " and resid 1730 and name HB3 )) (( segid " " and resid 1730 and name HE2 )) 4.400 2.400 1.600 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.76530E-03 ppm1 1.685 ppm2 2.940 CV 1 ASSI { 1103} (( segid " " and resid 1652 and name HD3 )) (( segid " " and resid 1651 and name HB2 )) 4.500 2.500 1.500 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.81273E-03 ppm1 3.749 ppm2 2.766 CV 1 ASSI { 1106} (( segid " " and resid 1652 and name HD3 )) (( segid " " and resid 1652 and name HD2 )) 1.600 0.300 0.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.30263E-01 ppm1 3.756 ppm2 3.878 CV 1 ASSI { 1108} (( segid " " and resid 1652 and name HA )) (( segid " " and resid 1652 and name HD2 )) 3.400 1.500 1.500 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 4.373 ppm2 3.878 CV 1 ASSI { 1116} (( segid " " and resid 1656 and name HD3 )) (( segid " " and resid 1655 and name HA )) 2.000 0.500 0.500 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.95767E-02 ppm1 3.901 ppm2 4.610 CV 1 ASSI { 1117} (( segid " " and resid 1652 and name HA )) (( segid " " and resid 1653 and name H )) 2.800 1.000 1.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.30375E-02 ppm1 4.368 ppm2 8.219 CV 1 ASSI { 1119} (( segid " " and resid 1671 and name HA )) (( segid " " and resid 1674 and name H )) 3.200 1.300 1.300 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.15001E-02 ppm1 4.362 ppm2 7.900 CV 1 ASSI { 1121} (( segid " " and resid 1730 and name HB3 )) (( segid " " and resid 1730 and name H )) 3.700 1.700 1.700 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 1.679 ppm2 7.920 CV 1 ASSI { 1125} (( segid " " and resid 1653 and name HA )) (( segid " " and resid 1653 and name H )) 3.200 1.300 1.300 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.14087E-02 ppm1 4.664 ppm2 8.219 CV 1 ASSI { 1126} (( segid " " and resid 1653 and name HA )) (( segid " " and resid 1654 and name H )) 2.700 0.900 0.900 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.38739E-02 ppm1 4.661 ppm2 7.810 CV 1 ASSI { 1127} (( segid " " and resid 1653 and name HA )) ( segid " " and resid 1653 and name HD% ) 3.000 1.100 1.100 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.26582E-02 ppm1 4.662 ppm2 7.330 CV 1 ASSI { 1128} (( segid " " and resid 1653 and name HB2 )) ( segid " " and resid 1653 and name HD% ) 2.800 1.000 1.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.23095E-02 ppm1 3.215 ppm2 7.330 CV 1 ASSI { 1129} (( segid " " and resid 1653 and name HB3 )) ( segid " " and resid 1653 and name HD% ) 2.900 1.100 1.100 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.22485E-02 ppm1 3.136 ppm2 7.330 CV 1 ASSI { 1131} (( segid " " and resid 1653 and name HB3 )) (( segid " " and resid 1653 and name HA )) 2.700 0.900 0.900 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.27700E-02 ppm1 3.135 ppm2 4.661 CV 1 ASSI { 1132} (( segid " " and resid 1653 and name HA )) (( segid " " and resid 1653 and name HB2 )) 2.800 1.000 1.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.48932E-02 ppm1 4.660 ppm2 3.215 CV 1 ASSI { 1134} (( segid " " and resid 1791 and name HA )) (( segid " " and resid 1791 and name HB2 )) 2.400 0.700 0.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.78660E-02 ppm1 4.618 ppm2 3.285 CV 1 OR { 1134} (( segid " " and resid 1791 and name HA )) (( segid " " and resid 1791 and name HB3 )) ASSI { 1135} (( segid " " and resid 1653 and name HB2 )) (( segid " " and resid 1653 and name HB3 )) 1.400 0.300 0.800 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.58484E-01 ppm1 3.214 ppm2 3.135 CV 1 ASSI { 1138} (( segid " " and resid 1654 and name HA )) ( segid " " and resid 1654 and name HG2%) 2.800 1.000 1.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.68807E-02 ppm1 4.318 ppm2 1.224 CV 1 ASSI { 1139} (( segid " " and resid 1654 and name HA )) ( segid " " and resid 1655 and name HB% ) 3.800 1.800 1.800 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.10328E-02 ppm1 4.316 ppm2 1.452 CV 1 ASSI { 1140} (( segid " " and resid 1654 and name HA )) (( segid " " and resid 1654 and name HB )) 2.100 0.600 0.600 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.12373E-01 ppm1 4.319 ppm2 4.154 CV 1 ASSI { 1142} ( segid " " and resid 1654 and name HG2%) (( segid " " and resid 1654 and name HB )) 2.200 0.600 0.600 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.12550E-01 ppm1 1.225 ppm2 4.154 CV 1 ASSI { 1144} (( segid " " and resid 1654 and name HA )) (( segid " " and resid 1653 and name HA )) 4.000 2.000 2.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.11310E-02 ppm1 4.314 ppm2 4.660 CV 1 ASSI { 1149} (( segid " " and resid 1654 and name HB )) (( segid " " and resid 1655 and name H )) 4.500 2.500 1.500 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.70093E-03 ppm1 4.150 ppm2 8.154 CV 1 ASSI { 1151} (( segid " " and resid 1655 and name HA )) (( segid " " and resid 1656 and name HD2 )) 2.800 1.000 1.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.80627E-02 ppm1 4.613 ppm2 3.706 CV 1 ASSI { 1153} ( segid " " and resid 1760 and name HB% ) (( segid " " and resid 1764 and name HG3 )) 2.700 0.900 0.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.36470E-02 ppm1 1.450 ppm2 2.465 CV 1 ASSI { 1154} ( segid " " and resid 1655 and name HB% ) (( segid " " and resid 1655 and name H )) 2.500 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.68603E-02 ppm1 1.450 ppm2 8.154 CV 1 ASSI { 1156} ( segid " " and resid 1760 and name HB% ) (( segid " " and resid 1761 and name H )) 2.300 0.700 0.700 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.70399E-02 ppm1 1.455 ppm2 7.772 CV 1 ASSI { 1157} (( segid " " and resid 1656 and name HA )) (( segid " " and resid 1656 and name HB3 )) 2.300 0.700 0.700 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.69590E-02 ppm1 4.440 ppm2 2.334 CV 1 ASSI { 1158} (( segid " " and resid 1656 and name HA )) (( segid " " and resid 1656 and name HG2 )) 3.600 1.600 1.600 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.25431E-02 ppm1 4.439 ppm2 2.065 CV 1 ASSI { 1159} (( segid " " and resid 1656 and name HA )) (( segid " " and resid 1656 and name HB2 )) 3.000 1.100 1.100 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.33118E-02 ppm1 4.440 ppm2 1.860 CV 1 ASSI { 1160} (( segid " " and resid 1656 and name HB3 )) (( segid " " and resid 1656 and name HG2 )) 2.700 0.900 0.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.55840E-02 ppm1 2.333 ppm2 2.064 CV 1 ASSI { 1161} (( segid " " and resid 1656 and name HB3 )) (( segid " " and resid 1656 and name HB2 )) 1.800 0.400 0.400 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.13711E-01 ppm1 2.333 ppm2 1.860 CV 1 ASSI { 1165} (( segid " " and resid 1656 and name HB2 )) (( segid " " and resid 1656 and name HG2 )) 2.300 0.700 0.700 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.53673E-02 ppm1 1.857 ppm2 2.062 CV 1 ASSI { 1168} (( segid " " and resid 1656 and name HB3 )) ( segid " " and resid 1724 and name HB% ) 4.700 2.800 1.300 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.90412E-03 ppm1 2.333 ppm2 1.588 CV 1 ASSI { 1170} (( segid " " and resid 1656 and name HD2 )) ( segid " " and resid 1655 and name HB% ) 2.500 0.800 0.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.45918E-02 ppm1 3.707 ppm2 1.453 CV 1 ASSI { 1171} (( segid " " and resid 1656 and name HD2 )) ( segid " " and resid 1724 and name HB% ) 3.300 1.400 1.400 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.96508E-03 ppm1 3.705 ppm2 1.590 CV 1 ASSI { 1172} (( segid " " and resid 1656 and name HG3 )) (( segid " " and resid 1656 and name HB2 )) 2.600 0.900 0.900 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.94345E-02 ppm1 2.136 ppm2 1.858 CV 1 ASSI { 1175} (( segid " " and resid 1656 and name HD3 )) (( segid " " and resid 1656 and name HG2 )) 2.600 0.900 0.900 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.51912E-02 ppm1 3.901 ppm2 2.066 CV 1 ASSI { 1179} (( segid " " and resid 1786 and name HG3 )) (( segid " " and resid 1786 and name HB3 )) 2.600 0.800 0.800 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.41617E-02 ppm1 2.141 ppm2 2.438 CV 1 OR { 1179} (( segid " " and resid 1786 and name HG2 )) (( segid " " and resid 1786 and name HB3 )) ASSI { 1181} (( segid " " and resid 1689 and name HG3 )) (( segid " " and resid 1689 and name HD2 )) 2.200 0.600 0.600 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.10877E-01 ppm1 2.136 ppm2 3.915 CV 1 OR { 1181} (( segid " " and resid 1689 and name HG2 )) (( segid " " and resid 1689 and name HD2 )) ASSI { 1184} (( segid " " and resid 1740 and name HG3 )) (( segid " " and resid 1740 and name HD3 )) 2.100 0.500 0.500 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.73516E-02 ppm1 2.134 ppm2 3.660 CV 1 ASSI { 1185} (( segid " " and resid 1689 and name HG2 )) (( segid " " and resid 1689 and name HA )) 3.300 1.300 1.300 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.19979E-02 ppm1 2.127 ppm2 4.171 CV 1 OR { 1185} (( segid " " and resid 1689 and name HG3 )) (( segid " " and resid 1689 and name HA )) ASSI { 1187} (( segid " " and resid 1786 and name HG2 )) (( segid " " and resid 1786 and name HD2 )) 2.600 0.800 0.800 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.38841E-02 ppm1 2.145 ppm2 4.059 CV 1 OR { 1187} (( segid " " and resid 1786 and name HG3 )) (( segid " " and resid 1786 and name HD2 )) ASSI { 1189} (( segid " " and resid 1786 and name HG3 )) (( segid " " and resid 1786 and name HA )) 3.400 1.400 1.400 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.29799E-02 ppm1 2.132 ppm2 4.578 CV 1 OR { 1189} (( segid " " and resid 1786 and name HG2 )) (( segid " " and resid 1786 and name HA )) ASSI { 1190} (( segid " " and resid 1656 and name HG3 )) (( segid " " and resid 1656 and name HA )) 3.200 1.300 1.300 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.20318E-02 ppm1 2.138 ppm2 4.441 CV 1 ASSI { 1193} (( segid " " and resid 1656 and name HD3 )) (( segid " " and resid 1656 and name HA )) 3.600 1.600 1.600 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.98876E-03 ppm1 3.906 ppm2 4.441 CV 1 ASSI { 1195} (( segid " " and resid 1723 and name HB2 )) (( segid " " and resid 1719 and name HA )) 2.500 0.800 0.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.29393E-02 ppm1 1.861 ppm2 4.225 CV 1 ASSI { 1196} (( segid " " and resid 1656 and name HB3 )) (( segid " " and resid 1656 and name HD3 )) 3.900 1.900 1.900 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.14527E-02 ppm1 2.334 ppm2 3.901 CV 1 ASSI { 1197} (( segid " " and resid 1656 and name HB3 )) (( segid " " and resid 1656 and name HD2 )) 3.900 1.900 1.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.13376E-02 ppm1 2.331 ppm2 3.706 CV 1 ASSI { 1198} (( segid " " and resid 1656 and name HD2 )) (( segid " " and resid 1656 and name HD3 )) 1.700 0.400 0.500 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.17168E-01 ppm1 3.706 ppm2 3.901 CV 1 ASSI { 1200} (( segid " " and resid 1656 and name HB2 )) (( segid " " and resid 1656 and name HD3 )) 3.700 1.700 1.700 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.17168E-02 ppm1 1.858 ppm2 3.901 CV 1 ASSI { 1203} (( segid " " and resid 1656 and name HA )) (( segid " " and resid 1657 and name H )) 2.300 0.700 0.700 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.77041E-02 ppm1 4.440 ppm2 8.759 CV 1 ASSI { 1208} (( segid " " and resid 1656 and name HB3 )) (( segid " " and resid 1657 and name H )) 3.700 1.700 1.700 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.11649E-02 ppm1 2.333 ppm2 8.761 CV 1 ASSI { 1213} (( segid " " and resid 1657 and name HA3 )) (( segid " " and resid 1657 and name HA2 )) 1.900 0.400 0.400 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.11239E-01 ppm1 4.119 ppm2 3.649 CV 1 ASSI { 1216} (( segid " " and resid 1783 and name HA2 )) (( segid " " and resid 1783 and name HA3 )) 1.900 0.400 0.400 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.89330E-02 ppm1 3.641 ppm2 3.792 CV 1 ASSI { 1218} (( segid " " and resid 1657 and name HA3 )) (( segid " " and resid 1660 and name HB2 )) 4.200 2.200 1.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.61969E-03 ppm1 4.128 ppm2 2.080 CV 1 ASSI { 1219} (( segid " " and resid 1657 and name HA2 )) (( segid " " and resid 1660 and name HB2 )) 3.200 1.300 1.300 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.74836E-03 ppm1 3.650 ppm2 2.080 CV 1 ASSI { 1222} (( segid " " and resid 1657 and name HA2 )) (( segid " " and resid 1728 and name H )) 3.600 1.600 1.600 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.66371E-03 ppm1 3.646 ppm2 8.879 CV 1 ASSI { 1223} (( segid " " and resid 1657 and name HA3 )) (( segid " " and resid 1728 and name H )) 4.200 2.200 1.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.64001E-03 ppm1 4.117 ppm2 8.886 CV 1 ASSI { 1225} (( segid " " and resid 1658 and name HA )) (( segid " " and resid 1662 and name H )) 3.800 1.800 1.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.67387E-03 ppm1 3.916 ppm2 8.261 CV 1 ASSI { 1226} (( segid " " and resid 1658 and name HA )) (( segid " " and resid 1661 and name H )) 3.400 1.500 1.500 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.10599E-02 ppm1 3.913 ppm2 8.194 CV 1 ASSI { 1229} (( segid " " and resid 1658 and name HA )) (( segid " " and resid 1661 and name HB2 )) 2.900 1.000 1.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.15475E-02 ppm1 3.912 ppm2 3.297 CV 1 ASSI { 1230} (( segid " " and resid 1658 and name HB2 )) ( segid " " and resid 1655 and name HB% ) 3.000 1.200 1.200 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.15949E-02 ppm1 2.194 ppm2 1.450 CV 1 ASSI { 1231} (( segid " " and resid 1658 and name HG2 )) ( segid " " and resid 1655 and name HB% ) 2.800 2.800 3.200 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.23399E-02 ppm1 2.310 ppm2 1.453 CV 1 ASSI { 1234} (( segid " " and resid 1658 and name HG2 )) (( segid " " and resid 1658 and name HE22)) 3.700 1.700 1.700 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.14900E-02 ppm1 2.308 ppm2 7.334 CV 1 ASSI { 1235} (( segid " " and resid 1658 and name HG3 )) (( segid " " and resid 1658 and name H )) 3.600 1.600 1.600 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.18557E-02 ppm1 2.449 ppm2 7.784 CV 1 ASSI { 1237} (( segid " " and resid 1658 and name HG2 )) (( segid " " and resid 1658 and name HE21)) 2.600 0.900 0.900 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.31560E-02 ppm1 2.311 ppm2 8.005 CV 1 ASSI { 1238} (( segid " " and resid 1733 and name HB2 )) (( segid " " and resid 1733 and name H )) 2.300 0.700 0.700 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.46087E-02 ppm1 2.232 ppm2 8.003 CV 1 ASSI { 1240} (( segid " " and resid 1797 and name HA )) (( segid " " and resid 1801 and name H )) 3.700 1.700 1.700 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.15882E-02 ppm1 3.979 ppm2 8.079 CV 1 ASSI { 1242} (( segid " " and resid 1660 and name HA )) (( segid " " and resid 1663 and name H )) 3.600 1.600 1.600 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.80933E-03 ppm1 3.944 ppm2 8.566 CV 1 ASSI { 1245} (( segid " " and resid 1660 and name HG2 )) (( segid " " and resid 1660 and name H )) 3.300 1.400 1.400 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.11242E-02 ppm1 2.524 ppm2 9.685 CV 1 ASSI { 1247} (( segid " " and resid 1707 and name HB2 )) (( segid " " and resid 1707 and name H )) 2.600 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.24720E-02 ppm1 1.864 ppm2 8.243 CV 1 ASSI { 1248} (( segid " " and resid 1707 and name HB2 )) (( segid " " and resid 1708 and name H )) 3.000 1.100 1.100 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 1.865 ppm2 7.748 CV 1 ASSI { 1249} (( segid " " and resid 1721 and name HG3 )) (( segid " " and resid 1721 and name H )) 3.500 1.500 1.500 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.18895E-02 ppm1 1.827 ppm2 7.609 CV 1 ASSI { 1250} (( segid " " and resid 1736 and name HB2 )) (( segid " " and resid 1736 and name H )) 3.400 1.500 1.500 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.33660E-02 ppm1 1.918 ppm2 7.353 CV 1 ASSI { 1253} (( segid " " and resid 1660 and name HA )) (( segid " " and resid 1663 and name HB )) 3.100 1.200 1.200 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.29156E-02 ppm1 3.948 ppm2 4.229 CV 1 ASSI { 1255} (( segid " " and resid 1721 and name HG3 )) (( segid " " and resid 1721 and name HA )) 3.300 1.400 1.400 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.21130E-02 ppm1 1.829 ppm2 4.141 CV 1 ASSI { 1258} (( segid " " and resid 1660 and name HG2 )) (( segid " " and resid 1660 and name HA )) 3.200 1.300 1.300 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.25600E-02 ppm1 2.529 ppm2 3.948 CV 1 ASSI { 1259} (( segid " " and resid 1660 and name HG3 )) (( segid " " and resid 1660 and name HA )) 2.700 0.900 0.900 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.38367E-02 ppm1 2.242 ppm2 3.950 CV 1 ASSI { 1262} (( segid " " and resid 1660 and name HG2 )) (( segid " " and resid 1728 and name HA3 )) 3.500 1.500 1.500 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.69420E-03 ppm1 2.529 ppm2 3.808 CV 1 ASSI { 1263} (( segid " " and resid 1660 and name HG2 )) (( segid " " and resid 1728 and name HA2 )) 3.500 1.500 1.500 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.88717E-03 ppm1 2.521 ppm2 3.582 CV 1 ASSI { 1265} (( segid " " and resid 1660 and name HG3 )) (( segid " " and resid 1728 and name HA2 )) 4.000 2.000 2.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.58244E-03 ppm1 2.246 ppm2 3.590 CV 1 ASSI { 1268} (( segid " " and resid 1660 and name HA )) (( segid " " and resid 1660 and name HB2 )) 3.200 1.200 1.200 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.21740E-02 ppm1 3.950 ppm2 2.089 CV 1 ASSI { 1269} (( segid " " and resid 1660 and name HA )) (( segid " " and resid 1660 and name HB3 )) 2.700 0.900 0.900 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.28309E-02 ppm1 3.947 ppm2 1.870 CV 1 ASSI { 1271} (( segid " " and resid 1660 and name HB3 )) (( segid " " and resid 1731 and name HB )) 2.700 0.900 0.900 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.18794E-02 ppm1 1.864 ppm2 2.152 CV 1 ASSI { 1272} (( segid " " and resid 1660 and name HB3 )) (( segid " " and resid 1660 and name HB2 )) 2.200 0.600 0.600 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.36267E-02 ppm1 1.870 ppm2 2.084 CV 1 ASSI { 1274} (( segid " " and resid 1660 and name HG3 )) (( segid " " and resid 1660 and name HG2 )) 1.900 0.500 0.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.10826E-01 ppm1 2.240 ppm2 2.525 CV 1 ASSI { 1276} (( segid " " and resid 1660 and name HG2 )) (( segid " " and resid 1660 and name HB2 )) 2.700 0.900 0.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.27429E-02 ppm1 2.526 ppm2 2.084 CV 1 ASSI { 1277} (( segid " " and resid 1660 and name HG3 )) (( segid " " and resid 1660 and name HB3 )) 2.800 0.900 0.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.25837E-02 ppm1 2.243 ppm2 1.869 CV 1 ASSI { 1278} (( segid " " and resid 1660 and name HG3 )) (( segid " " and resid 1660 and name HB2 )) 2.900 1.000 1.000 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.33964E-02 ppm1 2.244 ppm2 2.082 CV 1 ASSI { 1279} (( segid " " and resid 1660 and name HG2 )) (( segid " " and resid 1660 and name HB3 )) 2.900 1.000 1.000 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.27090E-02 ppm1 2.523 ppm2 1.869 CV 1 ASSI { 1281} (( segid " " and resid 1756 and name HG3 )) (( segid " " and resid 1756 and name HB3 )) 2.700 0.900 0.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.20114E-02 ppm1 2.040 ppm2 1.797 CV 1 ASSI { 1282} (( segid " " and resid 1660 and name HA )) (( segid " " and resid 1659 and name HG )) 3.500 1.600 1.600 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.83301E-03 ppm1 3.950 ppm2 1.595 CV 1 OR { 1282} (( segid " " and resid 1660 and name HA )) (( segid " " and resid 1659 and name HB3 )) ASSI { 1283} (( segid " " and resid 1660 and name HA )) ( segid " " and resid 1663 and name HG2%) 3.400 1.500 1.500 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.91092E-03 ppm1 3.948 ppm2 1.270 CV 1 ASSI { 1284} (( segid " " and resid 1660 and name HA )) ( segid " " and resid 1731 and name HG1%) 3.800 1.800 1.800 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.65355E-03 ppm1 3.945 ppm2 0.929 CV 1 ASSI { 1285} (( segid " " and resid 1660 and name HB3 )) ( segid " " and resid 1731 and name HG1%) 3.400 1.400 1.400 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.92446E-03 ppm1 1.861 ppm2 0.932 CV 1 ASSI { 1287} (( segid " " and resid 1661 and name HA )) ( segid " " and resid 1664 and name HB% ) 3.000 1.100 1.100 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.33592E-02 ppm1 4.124 ppm2 1.432 CV 1 ASSI { 1290} (( segid " " and resid 1661 and name HA )) ( segid " " and resid 1776 and name HD2%) 4.200 2.200 1.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.11378E-02 ppm1 4.129 ppm2 0.876 CV 1 ASSI { 1291} (( segid " " and resid 1661 and name HB3 )) (( segid " " and resid 1780 and name HG2 )) 4.600 2.700 1.400 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.79239E-03 ppm1 2.468 ppm2 1.634 CV 1 ASSI { 1292} (( segid " " and resid 1661 and name HB3 )) (( segid " " and resid 1780 and name HG3 )) 3.200 1.300 1.300 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.96168E-03 ppm1 2.471 ppm2 1.413 CV 1 ASSI { 1293} (( segid " " and resid 1661 and name HB2 )) (( segid " " and resid 1780 and name HG3 )) 3.000 1.200 1.200 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.75850E-03 ppm1 3.296 ppm2 1.412 CV 1 ASSI { 1294} (( segid " " and resid 1661 and name HB2 )) (( segid " " and resid 1661 and name HB3 )) 2.000 0.500 0.500 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.54451E-02 ppm1 3.295 ppm2 2.470 CV 1 ASSI { 1295} (( segid " " and resid 1661 and name HA )) (( segid " " and resid 1661 and name HB3 )) 2.500 0.800 0.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.25431E-02 ppm1 4.123 ppm2 2.469 CV 1 ASSI { 1296} (( segid " " and resid 1661 and name HA )) (( segid " " and resid 1661 and name HB2 )) 3.100 1.200 1.200 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.16999E-02 ppm1 4.123 ppm2 3.297 CV 1 ASSI { 1301} (( segid " " and resid 1661 and name HB3 )) (( segid " " and resid 1658 and name HA )) 4.300 2.300 1.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.84321E-03 ppm1 2.472 ppm2 3.919 CV 1 ASSI { 1302} (( segid " " and resid 1661 and name HB2 )) (( segid " " and resid 1662 and name H )) 3.000 1.100 1.100 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 3.295 ppm2 8.262 CV 1 ASSI { 1304} (( segid " " and resid 1661 and name HB3 )) (( segid " " and resid 1662 and name H )) 3.600 1.600 1.600 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.99897E-03 ppm1 2.471 ppm2 8.265 CV 1 ASSI { 1306} (( segid " " and resid 1661 and name HA )) (( segid " " and resid 1662 and name H )) 3.600 1.600 1.600 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.62308E-03 ppm1 4.120 ppm2 8.253 CV 1 ASSI { 1308} (( segid " " and resid 1661 and name HA )) (( segid " " and resid 1664 and name H )) 3.500 1.500 1.500 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.77544E-03 ppm1 4.124 ppm2 8.084 CV 1 ASSI { 1310} (( segid " " and resid 1770 and name HA )) (( segid " " and resid 1770 and name H )) 2.700 0.900 0.900 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.29461E-02 ppm1 3.962 ppm2 9.246 CV 1 ASSI { 1312} (( segid " " and resid 1662 and name HB2 )) (( segid " " and resid 1662 and name H )) 2.800 1.000 1.000 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.24381E-02 ppm1 2.245 ppm2 8.262 CV 1 ASSI { 1313} (( segid " " and resid 1770 and name HA )) (( segid " " and resid 1773 and name H )) 3.000 1.100 1.100 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.15916E-02 ppm1 3.958 ppm2 8.129 CV 1 ASSI { 1314} (( segid " " and resid 1662 and name HA )) (( segid " " and resid 1666 and name H )) 3.600 1.600 1.600 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.10057E-02 ppm1 3.964 ppm2 7.724 CV 1 ASSI { 1315} (( segid " " and resid 1662 and name HB2 )) (( segid " " and resid 1662 and name HG3 )) 2.700 0.900 0.900 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.34404E-02 ppm1 2.241 ppm2 2.450 CV 1 OR { 1315} (( segid " " and resid 1662 and name HB2 )) (( segid " " and resid 1662 and name HG2 )) ASSI { 1316} (( segid " " and resid 1770 and name HA )) (( segid " " and resid 1770 and name HG2 )) 2.700 0.900 0.900 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.22383E-02 ppm1 3.964 ppm2 2.555 CV 1 ASSI { 1317} (( segid " " and resid 1662 and name HA )) (( segid " " and resid 1662 and name HG3 )) 3.000 1.100 1.100 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.24110E-02 ppm1 3.969 ppm2 2.453 CV 1 OR { 1317} (( segid " " and resid 1662 and name HA )) (( segid " " and resid 1662 and name HG2 )) ASSI { 1318} (( segid " " and resid 1662 and name HA )) (( segid " " and resid 1662 and name HB2 )) 2.200 0.600 0.600 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.95896E-02 ppm1 3.966 ppm2 2.250 CV 1 ASSI { 1320} (( segid " " and resid 1662 and name HA )) (( segid " " and resid 1665 and name HB )) 2.400 0.700 0.700 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.50421E-02 ppm1 3.969 ppm2 1.803 CV 1 ASSI { 1321} (( segid " " and resid 1770 and name HA )) (( segid " " and resid 1773 and name HB2 )) 2.500 0.800 0.800 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.49440E-02 ppm1 3.962 ppm2 1.758 CV 1 OR { 1321} (( segid " " and resid 1770 and name HA )) (( segid " " and resid 1773 and name HB3 )) ASSI { 1322} (( segid " " and resid 1808 and name HG3 )) ( segid " " and resid 1804 and name HG2%) 2.600 2.600 3.400 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.19675E-02 ppm1 2.425 ppm2 1.297 CV 1 ASSI { 1323} (( segid " " and resid 1770 and name HA )) ( segid " " and resid 1773 and name HD2%) 2.900 1.100 1.100 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.38401E-02 ppm1 3.966 ppm2 0.834 CV 1 ASSI { 1326} (( segid " " and resid 1663 and name HB )) (( segid " " and resid 1663 and name H )) 2.900 1.000 1.000 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.38603E-02 ppm1 4.226 ppm2 8.568 CV 1 ASSI { 1327} ( segid " " and resid 1663 and name HG2%) (( segid " " and resid 1663 and name H )) 2.800 1.000 1.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.26278E-02 ppm1 1.271 ppm2 8.566 CV 1 ASSI { 1328} (( segid " " and resid 1704 and name HB )) (( segid " " and resid 1704 and name H )) 2.600 0.800 0.800 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.38367E-02 ppm1 4.208 ppm2 8.397 CV 1 ASSI { 1330} (( segid " " and resid 1663 and name HA )) (( segid " " and resid 1666 and name H )) 3.200 1.300 1.300 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.14426E-02 ppm1 3.983 ppm2 7.727 CV 1 ASSI { 1331} (( segid " " and resid 1663 and name HB )) (( segid " " and resid 1664 and name H )) 2.900 1.100 1.100 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.30070E-02 ppm1 4.225 ppm2 8.083 CV 1 ASSI { 1333} ( segid " " and resid 1812 and name HG2%) (( segid " " and resid 1816 and name H )) 3.300 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 1.271 ppm2 8.091 CV 1 ASSI { 1334} ( segid " " and resid 1812 and name HG2%) (( segid " " and resid 1813 and name H )) 3.200 1.300 1.300 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.28817E-02 ppm1 1.263 ppm2 8.009 CV 1 ASSI { 1335} (( segid " " and resid 1704 and name HB )) (( segid " " and resid 1705 and name H )) 2.700 0.900 0.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.26921E-02 ppm1 4.210 ppm2 7.456 CV 1 ASSI { 1336} (( segid " " and resid 1704 and name HA )) (( segid " " and resid 1705 and name H )) 3.500 1.500 1.500 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 3.889 ppm2 7.459 CV 1 ASSI { 1339} (( segid " " and resid 1663 and name HB )) (( segid " " and resid 1663 and name HA )) 2.500 0.800 0.800 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.50387E-02 ppm1 4.225 ppm2 3.972 CV 1 ASSI { 1340} (( segid " " and resid 1704 and name HB )) (( segid " " and resid 1704 and name HA )) 2.900 1.000 1.000 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.29630E-02 ppm1 4.207 ppm2 3.890 CV 1 ASSI { 1343} (( segid " " and resid 1704 and name HB )) ( segid " " and resid 1705 and name HB% ) 4.100 2.100 1.900 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.99897E-03 ppm1 4.215 ppm2 1.565 CV 1 ASSI { 1344} (( segid " " and resid 1663 and name HA )) ( segid " " and resid 1663 and name HG2%) 2.600 0.800 0.800 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.67658E-02 ppm1 3.981 ppm2 1.266 CV 1 ASSI { 1348} (( segid " " and resid 1782 and name HA )) (( segid " " and resid 1782 and name H )) 2.600 0.800 0.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.38299E-02 ppm1 4.032 ppm2 8.080 CV 1 ASSI { 1349} ( segid " " and resid 1664 and name HB% ) (( segid " " and resid 1664 and name HA )) 2.100 0.600 0.600 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.14480E-01 ppm1 1.431 ppm2 4.128 CV 1 ASSI { 1354} ( segid " " and resid 1664 and name HB% ) ( segid " " and resid 1776 and name HD1%) 2.300 0.700 0.700 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.66439E-02 ppm1 1.428 ppm2 0.797 CV 1 ASSI { 1355} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1668 and name H )) 3.400 1.400 1.400 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 3.395 ppm2 8.529 CV 1 ASSI { 1356} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1665 and name H )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.20690E-02 ppm1 3.392 ppm2 8.438 CV 1 ASSI { 1357} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1666 and name H )) 3.400 1.400 1.400 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.86689E-03 ppm1 3.393 ppm2 7.726 CV 1 ASSI { 1361} (( segid " " and resid 1665 and name HB )) (( segid " " and resid 1665 and name H )) 2.400 0.700 0.700 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.37825E-02 ppm1 1.813 ppm2 8.441 CV 1 ASSI { 1362} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1665 and name H )) 3.600 1.600 1.600 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.31391E-02 ppm1 0.456 ppm2 8.436 CV 1 ASSI { 1363} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1662 and name H )) 4.600 2.700 1.400 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.34540E-03 ppm1 0.457 ppm2 8.256 CV 1 ASSI { 1366} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1665 and name H )) 3.500 1.600 1.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.27632E-02 ppm1 0.837 ppm2 8.437 CV 1 ASSI { 1367} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1668 and name H )) 4.400 2.400 1.600 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.38603E-03 ppm1 0.833 ppm2 8.529 CV 1 ASSI { 1368} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1777 and name H )) 3.600 1.600 1.600 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.71788E-03 ppm1 0.460 ppm2 8.888 CV 1 ASSI { 1369} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1666 and name H )) 2.900 1.000 1.000 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.25092E-02 ppm1 0.837 ppm2 7.728 CV 1 ASSI { 1370} (( segid " " and resid 1665 and name HG12)) (( segid " " and resid 1666 and name H )) 4.900 2.900 1.100 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.32509E-03 ppm1 1.681 ppm2 7.731 CV 1 ASSI { 1374} ( segid " " and resid 1665 and name HG2%) ( segid " " and resid 1777 and name HE% ) 2.900 1.100 1.100 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.28072E-02 ppm1 0.837 ppm2 6.806 CV 1 ASSI { 1375} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1669 and name HD21)) 2.600 0.800 0.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.34608E-02 ppm1 0.837 ppm2 6.600 CV 1 ASSI { 1376} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1669 and name HD22)) 3.400 1.500 1.500 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.33016E-02 ppm1 0.837 ppm2 7.237 CV 1 ASSI { 1377} ( segid " " and resid 1665 and name HG2%) ( segid " " and resid 1777 and name HD% ) 4.100 2.100 1.900 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.85676E-03 ppm1 0.837 ppm2 7.167 CV 1 ASSI { 1380} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1777 and name HA )) 2.700 0.900 0.900 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.25837E-02 ppm1 0.454 ppm2 4.212 CV 1 ASSI { 1381} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1661 and name HA )) 3.800 1.800 1.800 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.78565E-03 ppm1 0.455 ppm2 4.127 CV 1 ASSI { 1382} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1662 and name HA )) 2.700 0.900 0.900 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.40534E-02 ppm1 0.455 ppm2 3.970 CV 1 ASSI { 1383} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1773 and name HA )) 4.000 2.000 2.000 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.61630E-03 ppm1 0.455 ppm2 3.723 CV 1 ASSI { 1384} (( segid " " and resid 1730 and name HB3 )) (( segid " " and resid 1730 and name HA )) 2.700 0.900 0.900 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.14290E-02 ppm1 1.685 ppm2 4.152 CV 1 ASSI { 1385} (( segid " " and resid 1715 and name HB3 )) (( segid " " and resid 1715 and name HA )) 2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.25973E-02 ppm1 1.684 ppm2 4.317 CV 1 ASSI { 1386} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1662 and name HA )) 3.300 1.400 1.400 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.21402E-02 ppm1 0.836 ppm2 3.973 CV 1 ASSI { 1388} (( segid " " and resid 1715 and name HB3 )) (( segid " " and resid 1718 and name HB3 )) 4.100 2.100 1.900 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.68066E-03 ppm1 1.693 ppm2 3.961 CV 1 ASSI { 1389} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1665 and name HA )) 2.500 0.800 0.800 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.56652E-02 ppm1 0.836 ppm2 3.392 CV 1 ASSI { 1393} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1665 and name HA )) 3.600 1.600 1.600 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.29528E-02 ppm1 0.456 ppm2 3.394 CV 1 ASSI { 1394} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1661 and name HB2 )) 4.500 2.500 1.500 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.67725E-03 ppm1 0.455 ppm2 3.307 CV 1 ASSI { 1395} (( segid " " and resid 1709 and name HB )) (( segid " " and resid 1709 and name HA )) 3.000 1.100 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.15035E-02 ppm1 1.808 ppm2 3.423 CV 1 ASSI { 1397} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1669 and name HB3 )) 4.400 2.400 1.600 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.84655E-03 ppm1 0.839 ppm2 2.967 CV 1 ASSI { 1398} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1665 and name HB )) 2.200 0.600 0.600 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.92106E-02 ppm1 0.836 ppm2 1.812 CV 1 ASSI { 1399} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1665 and name HG12)) 2.600 0.800 0.800 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.37012E-02 ppm1 0.837 ppm2 1.699 CV 1 ASSI { 1400} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1665 and name HB )) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.30104E-02 ppm1 3.392 ppm2 1.813 CV 1 ASSI { 1401} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1665 and name HG12)) 2.500 0.800 0.800 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.25634E-02 ppm1 3.392 ppm2 1.704 CV 1 ASSI { 1402} (( segid " " and resid 1665 and name HB )) (( segid " " and resid 1665 and name HG12)) 3.100 1.200 1.200 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.21875E-02 ppm1 1.809 ppm2 1.707 CV 1 ASSI { 1403} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1776 and name HB2 )) 3.000 1.200 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.23501E-02 ppm1 0.453 ppm2 1.959 CV 1 ASSI { 1404} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1665 and name HB )) 2.500 0.800 0.800 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.55129E-02 ppm1 0.454 ppm2 1.811 CV 1 ASSI { 1405} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1665 and name HG12)) 2.200 0.600 0.600 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.85941E-02 ppm1 0.455 ppm2 1.698 CV 1 ASSI { 1406} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1780 and name HD2 )) 3.000 1.100 1.100 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.30645E-02 ppm1 0.455 ppm2 1.585 CV 1 ASSI { 1407} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1780 and name HB2 )) 3.500 1.600 1.600 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.75850E-03 ppm1 0.455 ppm2 2.070 CV 1 ASSI { 1408} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1661 and name HB3 )) 3.400 1.500 1.500 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.14256E-02 ppm1 0.456 ppm2 2.467 CV 1 ASSI { 1409} (( segid " " and resid 1665 and name HG13)) (( segid " " and resid 1776 and name HB2 )) 3.300 1.300 1.300 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.58583E-03 ppm1 0.594 ppm2 1.961 CV 1 ASSI { 1410} (( segid " " and resid 1665 and name HG13)) (( segid " " and resid 1665 and name HB )) 2.900 1.100 1.100 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.94140E-03 ppm1 0.603 ppm2 1.815 CV 1 ASSI { 1412} (( segid " " and resid 1665 and name HB )) ( segid " " and resid 1666 and name HB% ) 4.100 2.100 1.900 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.88384E-03 ppm1 1.813 ppm2 1.558 CV 1 ASSI { 1414} (( segid " " and resid 1665 and name HA )) ( segid " " and resid 1664 and name HB% ) 4.000 2.000 2.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.57228E-03 ppm1 3.394 ppm2 1.434 CV 1 ASSI { 1415} ( segid " " and resid 1665 and name HD1%) ( segid " " and resid 1664 and name HB% ) 4.100 2.100 1.900 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.10599E-02 ppm1 0.453 ppm2 1.421 CV 1 ASSI { 1416} ( segid " " and resid 1665 and name HG2%) ( segid " " and resid 1664 and name HB% ) 4.200 2.200 1.800 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.97522E-03 ppm1 0.834 ppm2 1.442 CV 1 ASSI { 1418} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1776 and name HB3 )) 3.500 1.500 1.500 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.21063E-02 ppm1 0.457 ppm2 1.182 CV 1 ASSI { 1419} (( segid " " and resid 1665 and name HG12)) (( segid " " and resid 1776 and name HB3 )) 4.300 2.300 1.700 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.77884E-03 ppm1 1.703 ppm2 1.176 CV 1 ASSI { 1422} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1668 and name HB2 )) 3.700 1.700 1.700 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.14290E-02 ppm1 3.394 ppm2 1.284 CV 1 ASSI { 1425} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1665 and name HG13)) 2.900 1.000 1.000 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.22248E-02 ppm1 3.390 ppm2 0.600 CV 1 ASSI { 1430} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1665 and name HG13)) 3.300 1.400 1.400 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.28039E-02 ppm1 0.837 ppm2 0.599 CV 1 ASSI { 1431} ( segid " " and resid 1665 and name HG2%) ( segid " " and resid 1665 and name HD1%) 2.100 0.500 0.500 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.13782E-01 ppm1 0.837 ppm2 0.457 CV 1 ASSI { 1432} (( segid " " and resid 1665 and name HG13)) ( segid " " and resid 1665 and name HD1%) 2.500 0.800 0.800 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.36470E-02 ppm1 0.598 ppm2 0.457 CV 1 ASSI { 1436} (( segid " " and resid 1665 and name HA )) ( segid " " and resid 1668 and name HD1%) 5.400 3.600 0.600 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.36572E-03 ppm1 3.394 ppm2 0.225 CV 1 ASSI { 1439} ( segid " " and resid 1666 and name HB% ) (( segid " " and resid 1663 and name HA )) 2.500 0.800 0.800 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.65253E-02 ppm1 1.555 ppm2 3.978 CV 1 ASSI { 1440} ( segid " " and resid 1666 and name HB% ) (( segid " " and resid 1666 and name HA )) 2.100 0.600 0.600 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.16078E-01 ppm1 1.555 ppm2 4.243 CV 1 ASSI { 1441} (( segid " " and resid 1666 and name HA )) (( segid " " and resid 1666 and name H )) 2.600 0.900 0.900 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.43886E-02 ppm1 4.242 ppm2 7.730 CV 1 ASSI { 1442} ( segid " " and resid 1666 and name HB% ) (( segid " " and resid 1666 and name H )) 2.200 0.600 0.600 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.14023E-01 ppm1 1.555 ppm2 7.728 CV 1 ASSI { 1443} ( segid " " and resid 1666 and name HB% ) (( segid " " and resid 1667 and name H )) 2.400 0.700 0.700 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.67116E-02 ppm1 1.555 ppm2 7.983 CV 1 ASSI { 1444} ( segid " " and resid 1667 and name HB% ) (( segid " " and resid 1667 and name H )) 2.100 0.600 0.600 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.13989E-01 ppm1 1.640 ppm2 7.984 CV 1 ASSI { 1446} ( segid " " and resid 1667 and name HB% ) (( segid " " and resid 1668 and name H )) 2.500 0.800 0.800 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.62409E-02 ppm1 1.641 ppm2 8.531 CV 1 ASSI { 1447} ( segid " " and resid 1749 and name HB% ) (( segid " " and resid 1749 and name H )) 2.400 0.700 0.700 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.60039E-02 ppm1 1.583 ppm2 9.084 CV 1 ASSI { 1452} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1668 and name H )) 3.800 1.800 1.800 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.20622E-02 ppm1 0.370 ppm2 8.528 CV 1 ASSI { 1453} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1668 and name H )) 3.700 1.700 1.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.27496E-02 ppm1 0.227 ppm2 8.527 CV 1 ASSI { 1454} (( segid " " and resid 1668 and name HG )) (( segid " " and resid 1668 and name H )) 3.600 1.600 1.600 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.21469E-02 ppm1 1.300 ppm2 8.530 CV 1 ASSI { 1455} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1773 and name H )) 3.800 1.800 1.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.98876E-03 ppm1 0.226 ppm2 8.120 CV 1 ASSI { 1456} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1773 and name H )) 2.900 1.000 1.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.18116E-02 ppm1 0.368 ppm2 8.129 CV 1 ASSI { 1457} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1667 and name H )) 4.800 2.900 1.200 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.58583E-03 ppm1 0.231 ppm2 7.980 CV 1 ASSI { 1458} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1738 and name H )) 4.500 2.500 1.500 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.75516E-03 ppm1 0.227 ppm2 7.618 CV 1 ASSI { 1459} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1774 and name H )) 4.800 2.900 1.200 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.29461E-03 ppm1 0.373 ppm2 7.617 CV 1 ASSI { 1460} ( segid " " and resid 1668 and name HD2%) ( segid " " and resid 1738 and name HD% ) 3.400 1.400 1.400 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.14019E-02 ppm1 0.365 ppm2 7.277 CV 1 ASSI { 1461} ( segid " " and resid 1668 and name HD1%) ( segid " " and resid 1738 and name HE% ) 3.400 1.400 1.400 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.12089E-02 ppm1 0.225 ppm2 7.065 CV 1 ASSI { 1462} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1668 and name HA )) 2.200 0.600 0.600 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.83539E-02 ppm1 0.225 ppm2 3.870 CV 1 ASSI { 1465} (( segid " " and resid 1668 and name HB2 )) (( segid " " and resid 1668 and name HA )) 2.700 0.900 0.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.20656E-02 ppm1 1.284 ppm2 3.877 CV 1 ASSI { 1466} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1773 and name HA )) 2.400 0.700 0.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.32915E-02 ppm1 0.366 ppm2 3.729 CV 1 ASSI { 1467} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1773 and name HA )) 4.300 2.300 1.700 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 0.229 ppm2 3.726 CV 1 ASSI { 1468} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1735 and name HA )) 3.100 1.200 1.200 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.17473E-02 ppm1 0.223 ppm2 3.561 CV 1 ASSI { 1469} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1735 and name HA )) 3.800 1.800 1.800 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.49440E-03 ppm1 0.366 ppm2 3.566 CV 1 ASSI { 1470} (( segid " " and resid 1668 and name HG )) (( segid " " and resid 1668 and name HA )) 3.100 1.200 1.200 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.18387E-02 ppm1 1.300 ppm2 3.877 CV 1 ASSI { 1471} (( segid " " and resid 1668 and name HG )) (( segid " " and resid 1669 and name H )) 4.200 2.200 1.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.38603E-03 ppm1 1.300 ppm2 8.658 CV 1 ASSI { 1472} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1776 and name H )) 4.300 2.300 1.700 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.79919E-03 ppm1 0.222 ppm2 8.673 CV 1 ASSI { 1473} (( segid " " and resid 1668 and name HG )) (( segid " " and resid 1665 and name HA )) 4.400 2.400 1.600 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.72801E-03 ppm1 1.298 ppm2 3.392 CV 1 ASSI { 1474} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1738 and name HB3 )) 2.800 1.000 1.000 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.26887E-02 ppm1 0.220 ppm2 3.390 CV 1 ASSI { 1475} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1665 and name HA )) 3.000 1.100 1.100 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.27767E-02 ppm1 0.365 ppm2 3.394 CV 1 ASSI { 1476} (( segid " " and resid 1668 and name HB3 )) (( segid " " and resid 1665 and name HA )) 2.700 0.900 0.900 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.13884E-02 ppm1 1.813 ppm2 3.391 CV 1 ASSI { 1478} (( segid " " and resid 1668 and name HA )) (( segid " " and resid 1738 and name HB3 )) 4.000 2.000 2.000 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.65693E-03 ppm1 3.872 ppm2 3.389 CV 1 ASSI { 1479} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1671 and name HB3 )) 3.900 1.900 1.900 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.12766E-02 ppm1 0.364 ppm2 3.237 CV 1 OR { 1479} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1671 and name HB2 )) ASSI { 1480} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1671 and name HB2 )) 3.300 1.400 1.400 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.10904E-02 ppm1 0.228 ppm2 3.245 CV 1 ASSI { 1481} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1738 and name HB2 )) 3.100 1.200 1.200 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.14798E-02 ppm1 0.227 ppm2 3.138 CV 1 ASSI { 1482} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1738 and name HB2 )) 3.700 1.700 1.700 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.97522E-03 ppm1 0.370 ppm2 3.120 CV 1 ASSI { 1483} (( segid " " and resid 1668 and name HA )) (( segid " " and resid 1668 and name HB3 )) 3.000 1.100 1.100 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.24889E-02 ppm1 3.878 ppm2 1.819 CV 1 ASSI { 1485} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1776 and name HG )) 2.900 1.000 1.000 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.21029E-02 ppm1 0.370 ppm2 1.956 CV 1 ASSI { 1486} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1668 and name HB3 )) 2.500 0.800 0.800 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.33490E-02 ppm1 0.366 ppm2 1.811 CV 1 ASSI { 1487} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1773 and name HB2 )) 3.100 1.200 1.200 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.25735E-02 ppm1 0.371 ppm2 1.754 CV 1 OR { 1487} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1773 and name HB3 )) ASSI { 1488} ( segid " " and resid 1668 and name HD2%) ( segid " " and resid 1667 and name HB% ) 3.800 1.800 1.800 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.13410E-02 ppm1 0.368 ppm2 1.637 CV 1 ASSI { 1489} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1773 and name HG )) 3.600 1.600 1.600 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.20554E-02 ppm1 0.366 ppm2 1.552 CV 1 ASSI { 1491} (( segid " " and resid 1668 and name HA )) (( segid " " and resid 1668 and name HB2 )) 2.500 0.800 0.800 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.45715E-02 ppm1 3.875 ppm2 1.292 CV 1 OR { 1491} (( segid " " and resid 1668 and name HA )) (( segid " " and resid 1668 and name HG )) ASSI { 1492} (( segid " " and resid 1668 and name HB3 )) (( segid " " and resid 1668 and name HB2 )) 1.800 0.400 0.400 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.92548E-02 ppm1 1.818 ppm2 1.284 CV 1 ASSI { 1495} ( segid " " and resid 1668 and name HD1%) ( segid " " and resid 1667 and name HB% ) 3.500 1.500 1.500 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.20758E-02 ppm1 0.224 ppm2 1.629 CV 1 ASSI { 1496} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1773 and name HG )) 4.100 2.100 1.900 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.19302E-02 ppm1 0.228 ppm2 1.556 CV 1 ASSI { 1497} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1668 and name HB3 )) 3.200 1.300 1.300 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.36538E-02 ppm1 0.226 ppm2 1.816 CV 1 ASSI { 1498} (( segid " " and resid 1668 and name HG )) (( segid " " and resid 1668 and name HB3 )) 2.400 0.700 0.700 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.34608E-02 ppm1 1.300 ppm2 1.820 CV 1 ASSI { 1501} (( segid " " and resid 1668 and name HB3 )) ( segid " " and resid 1773 and name HD1%) 2.700 0.900 0.900 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.19675E-02 ppm1 1.816 ppm2 0.922 CV 1 ASSI { 1502} (( segid " " and resid 1668 and name HB3 )) ( segid " " and resid 1773 and name HD2%) 3.800 1.800 1.800 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.19031E-02 ppm1 1.817 ppm2 0.832 CV 1 ASSI { 1503} ( segid " " and resid 1668 and name HD2%) ( segid " " and resid 1776 and name HD1%) 2.100 0.500 0.500 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.91936E-02 ppm1 0.369 ppm2 0.803 CV 1 ASSI { 1504} ( segid " " and resid 1668 and name HD1%) ( segid " " and resid 1776 and name HD1%) 2.900 1.100 1.100 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.64509E-02 ppm1 0.226 ppm2 0.803 CV 1 ASSI { 1505} (( segid " " and resid 1668 and name HG )) ( segid " " and resid 1773 and name HD1%) 3.100 1.200 1.200 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.11107E-02 ppm1 1.292 ppm2 0.933 CV 1 ASSI { 1507} (( segid " " and resid 1668 and name HG )) ( segid " " and resid 1776 and name HD1%) 3.900 1.900 1.900 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.19099E-02 ppm1 1.303 ppm2 0.803 CV 1 ASSI { 1508} (( segid " " and resid 1668 and name HG )) ( segid " " and resid 1668 and name HD2%) 2.500 0.800 0.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.30984E-02 ppm1 1.299 ppm2 0.369 CV 1 ASSI { 1509} ( segid " " and resid 1668 and name HD1%) ( segid " " and resid 1668 and name HD2%) 2.300 0.600 0.600 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.76837E-02 ppm1 0.227 ppm2 0.370 CV 1 ASSI { 1511} (( segid " " and resid 1668 and name HB2 )) ( segid " " and resid 1668 and name HD2%) 3.100 1.200 1.200 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.11242E-02 ppm1 1.286 ppm2 0.366 CV 1 ASSI { 1512} (( segid " " and resid 1668 and name HB2 )) ( segid " " and resid 1668 and name HD1%) 2.900 1.100 1.100 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 1.281 ppm2 0.227 CV 1 ASSI { 1514} (( segid " " and resid 1668 and name HG )) ( segid " " and resid 1668 and name HD1%) 2.700 0.900 0.900 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.25465E-02 ppm1 1.299 ppm2 0.226 CV 1 ASSI { 1516} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1669 and name H )) 2.700 0.900 0.900 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.33897E-02 ppm1 4.518 ppm2 8.659 CV 1 ASSI { 1517} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1672 and name H )) 3.000 1.200 1.200 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.19843E-02 ppm1 4.513 ppm2 8.468 CV 1 ASSI { 1520} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1670 and name H )) 3.300 1.400 1.400 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.13173E-02 ppm1 4.516 ppm2 7.886 CV 1 ASSI { 1521} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1671 and name H )) 4.200 2.200 1.800 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.41990E-03 ppm1 4.510 ppm2 7.982 CV 1 ASSI { 1522} (( segid " " and resid 1669 and name HB2 )) (( segid " " and resid 1669 and name HD22)) 3.900 1.900 1.900 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.15577E-02 ppm1 2.686 ppm2 7.237 CV 1 ASSI { 1523} (( segid " " and resid 1669 and name HB3 )) (( segid " " and resid 1669 and name HD21)) 3.600 1.600 1.600 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.12834E-02 ppm1 2.978 ppm2 6.599 CV 1 ASSI { 1524} (( segid " " and resid 1669 and name HB2 )) (( segid " " and resid 1669 and name HD21)) 2.800 1.000 1.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.11513E-02 ppm1 2.684 ppm2 6.599 CV 1 ASSI { 1525} (( segid " " and resid 1669 and name HB2 )) (( segid " " and resid 1669 and name HA )) 2.600 0.800 0.800 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.36707E-02 ppm1 2.687 ppm2 4.518 CV 1 ASSI { 1528} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1670 and name HA )) 3.700 1.700 1.700 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.81947E-03 ppm1 4.516 ppm2 4.232 CV 1 ASSI { 1530} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1669 and name HB3 )) 2.900 1.000 1.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.31357E-02 ppm1 4.515 ppm2 2.974 CV 1 ASSI { 1531} (( segid " " and resid 1669 and name HB2 )) (( segid " " and resid 1669 and name HB3 )) 1.900 0.400 0.400 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.11760E-01 ppm1 2.686 ppm2 2.975 CV 1 ASSI { 1532} (( segid " " and resid 1815 and name HB2 )) (( segid " " and resid 1815 and name HB3 )) 1.900 0.400 0.400 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.14446E-01 ppm1 2.961 ppm2 2.834 CV 1 ASSI { 1535} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1672 and name HB2 )) 2.500 0.800 0.800 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.37385E-02 ppm1 4.516 ppm2 1.942 CV 1 ASSI { 1536} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1672 and name HB3 )) 3.000 1.100 1.100 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.31255E-02 ppm1 4.515 ppm2 1.636 CV 1 ASSI { 1538} (( segid " " and resid 1669 and name HA )) ( segid " " and resid 1672 and name HD2%) 2.700 0.900 0.900 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.40635E-02 ppm1 4.516 ppm2 0.904 CV 1 ASSI { 1539} (( segid " " and resid 1669 and name HA )) ( segid " " and resid 1773 and name HD2%) 3.200 1.300 1.300 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.15103E-02 ppm1 4.514 ppm2 0.832 CV 1 ASSI { 1540} (( segid " " and resid 1673 and name HA )) (( segid " " and resid 1676 and name H )) 3.100 1.200 1.200 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.18455E-02 ppm1 4.221 ppm2 8.710 CV 1 ASSI { 1541} (( segid " " and resid 1699 and name HA )) (( segid " " and resid 1699 and name H )) 2.900 1.000 1.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.24449E-02 ppm1 4.214 ppm2 8.649 CV 1 ASSI { 1542} (( segid " " and resid 1699 and name HA )) (( segid " " and resid 1703 and name H )) 3.600 1.600 1.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.64678E-03 ppm1 4.218 ppm2 8.478 CV 1 ASSI { 1546} (( segid " " and resid 1673 and name HD2 )) (( segid " " and resid 1673 and name H )) 4.400 2.400 1.600 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.47747E-03 ppm1 3.288 ppm2 7.750 CV 1 OR { 1546} (( segid " " and resid 1673 and name HD3 )) (( segid " " and resid 1673 and name H )) ASSI { 1547} (( segid " " and resid 1673 and name HG2 )) (( segid " " and resid 1673 and name H )) 3.200 1.300 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.21841E-02 ppm1 1.927 ppm2 7.762 CV 1 ASSI { 1548} (( segid " " and resid 1761 and name HG )) (( segid " " and resid 1761 and name H )) 2.600 0.800 0.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.32237E-02 ppm1 1.664 ppm2 7.767 CV 1 ASSI { 1549} (( segid " " and resid 1673 and name HB3 )) (( segid " " and resid 1674 and name H )) 2.600 0.900 0.900 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.44055E-02 ppm1 2.095 ppm2 7.901 CV 1 OR { 1549} (( segid " " and resid 1673 and name HB2 )) (( segid " " and resid 1674 and name H )) ASSI { 1550} (( segid " " and resid 1673 and name HG3 )) (( segid " " and resid 1674 and name H )) 4.100 2.100 1.900 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.54857E-03 ppm1 1.659 ppm2 7.899 CV 1 ASSI { 1553} (( segid " " and resid 1673 and name HG3 )) (( segid " " and resid 1673 and name HA )) 2.900 1.100 1.100 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.27496E-02 ppm1 1.664 ppm2 4.223 CV 1 ASSI { 1554} (( segid " " and resid 1761 and name HG )) (( segid " " and resid 1761 and name HA )) 3.200 1.300 1.300 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.16017E-02 ppm1 1.657 ppm2 3.895 CV 1 ASSI { 1558} (( segid " " and resid 1699 and name HA )) (( segid " " and resid 1699 and name HB2 )) 2.700 0.900 0.900 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.28343E-02 ppm1 4.213 ppm2 3.330 CV 1 ASSI { 1559} (( segid " " and resid 1673 and name HA )) (( segid " " and resid 1676 and name HB2 )) 2.800 1.000 1.000 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.41211E-02 ppm1 4.220 ppm2 2.902 CV 1 ASSI { 1560} (( segid " " and resid 1673 and name HA )) (( segid " " and resid 1676 and name HB3 )) 2.800 1.000 1.000 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.24957E-02 ppm1 4.221 ppm2 2.745 CV 1 ASSI { 1562} (( segid " " and resid 1699 and name HA )) (( segid " " and resid 1702 and name HB2 )) 2.900 1.000 1.000 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.18692E-02 ppm1 4.214 ppm2 2.328 CV 1 OR { 1562} (( segid " " and resid 1699 and name HA )) (( segid " " and resid 1702 and name HG3 )) ASSI { 1564} (( segid " " and resid 1673 and name HD2 )) (( segid " " and resid 1673 and name HB2 )) 2.600 0.900 0.900 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.46595E-02 ppm1 3.286 ppm2 2.097 CV 1 OR { 1564} (( segid " " and resid 1673 and name HD2 )) (( segid " " and resid 1673 and name HB3 )) OR { 1564} (( segid " " and resid 1673 and name HD3 )) (( segid " " and resid 1673 and name HB2 )) OR { 1564} (( segid " " and resid 1673 and name HD3 )) (( segid " " and resid 1673 and name HB3 )) ASSI { 1565} (( segid " " and resid 1673 and name HG2 )) (( segid " " and resid 1673 and name HB3 )) 2.200 0.600 0.600 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.10562E-01 ppm1 1.926 ppm2 2.095 CV 1 OR { 1565} (( segid " " and resid 1673 and name HG2 )) (( segid " " and resid 1673 and name HB2 )) ASSI { 1567} (( segid " " and resid 1673 and name HG3 )) (( segid " " and resid 1673 and name HG2 )) 1.900 0.500 0.500 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.99149E-02 ppm1 1.659 ppm2 1.924 CV 1 ASSI { 1568} (( segid " " and resid 1673 and name HD2 )) (( segid " " and resid 1673 and name HG2 )) 2.500 0.800 0.800 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.52826E-02 ppm1 3.286 ppm2 1.926 CV 1 OR { 1568} (( segid " " and resid 1673 and name HD3 )) (( segid " " and resid 1673 and name HG2 )) ASSI { 1569} (( segid " " and resid 1699 and name HA )) ( segid " " and resid 1702 and name HE% ) 3.800 1.800 1.800 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.20690E-02 ppm1 4.214 ppm2 2.000 CV 1 ASSI { 1570} (( segid " " and resid 1673 and name HA )) (( segid " " and resid 1673 and name HG2 )) 2.700 0.900 0.900 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.31831E-02 ppm1 4.219 ppm2 1.931 CV 1 ASSI { 1572} (( segid " " and resid 1673 and name HD3 )) (( segid " " and resid 1673 and name HG3 )) 2.400 0.700 0.700 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.66642E-02 ppm1 3.284 ppm2 1.666 CV 1 OR { 1572} (( segid " " and resid 1673 and name HD2 )) (( segid " " and resid 1673 and name HG3 )) ASSI { 1577} (( segid " " and resid 1761 and name HG )) ( segid " " and resid 1761 and name HD2%) 2.400 0.700 0.700 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.48694E-02 ppm1 1.664 ppm2 0.843 CV 1 ASSI { 1585} (( segid " " and resid 1674 and name HB3 )) (( segid " " and resid 1671 and name HA )) 3.400 1.400 1.400 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.10802E-02 ppm1 2.534 ppm2 4.366 CV 1 ASSI { 1586} (( segid " " and resid 1674 and name HB3 )) (( segid " " and resid 1674 and name HB2 )) 2.000 0.500 0.500 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.81307E-02 ppm1 2.520 ppm2 2.974 CV 1 ASSI { 1587} (( segid " " and resid 1674 and name HA )) (( segid " " and resid 1674 and name HB2 )) 2.800 1.000 1.000 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.31391E-02 ppm1 4.471 ppm2 2.972 CV 1 ASSI { 1591} (( segid " " and resid 1676 and name HB3 )) (( segid " " and resid 1676 and name H )) 2.700 0.900 0.900 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.40635E-02 ppm1 2.745 ppm2 8.713 CV 1 ASSI { 1592} (( segid " " and resid 1676 and name HB2 )) (( segid " " and resid 1676 and name H )) 2.300 0.700 0.700 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.71788E-02 ppm1 2.903 ppm2 8.713 CV 1 ASSI { 1593} (( segid " " and resid 1676 and name HB2 )) (( segid " " and resid 1675 and name H )) 4.900 3.000 1.100 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.37249E-03 ppm1 2.910 ppm2 8.557 CV 1 ASSI { 1594} (( segid " " and resid 1676 and name HB2 )) (( segid " " and resid 1677 and name H )) 3.400 1.400 1.400 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.32475E-02 ppm1 2.902 ppm2 8.254 CV 1 ASSI { 1595} (( segid " " and resid 1676 and name HB3 )) (( segid " " and resid 1677 and name H )) 2.600 0.800 0.800 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.35624E-02 ppm1 2.745 ppm2 8.253 CV 1 ASSI { 1600} (( segid " " and resid 1676 and name HB2 )) (( segid " " and resid 1676 and name HB3 )) 1.800 0.400 0.400 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.15198E-01 ppm1 2.904 ppm2 2.747 CV 1 ASSI { 1602} (( segid " " and resid 1676 and name HB2 )) (( segid " " and resid 1673 and name HB3 )) 4.100 2.200 1.900 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.67387E-03 ppm1 2.895 ppm2 2.088 CV 1 ASSI { 1603} (( segid " " and resid 1676 and name HA )) (( segid " " and resid 1766 and name HD2 )) 3.300 1.300 1.300 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 4.501 ppm2 1.709 CV 1 OR { 1603} (( segid " " and resid 1676 and name HA )) (( segid " " and resid 1766 and name HD3 )) ASSI { 1604} (( segid " " and resid 1763 and name HB2 )) ( segid " " and resid 1760 and name HB% ) 4.100 2.100 1.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 2.850 ppm2 1.460 CV 1 ASSI { 1605} ( segid " " and resid 1678 and name HB% ) (( segid " " and resid 1679 and name H )) 2.500 0.800 0.800 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.40060E-02 ppm1 1.601 ppm2 8.483 CV 1 ASSI { 1606} ( segid " " and resid 1678 and name HB% ) (( segid " " and resid 1677 and name H )) 4.200 2.200 1.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.89738E-03 ppm1 1.603 ppm2 8.253 CV 1 ASSI { 1607} ( segid " " and resid 1678 and name HB% ) (( segid " " and resid 1678 and name H )) 2.200 0.600 0.600 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.10450E-01 ppm1 1.600 ppm2 8.110 CV 1 ASSI { 1608} ( segid " " and resid 1745 and name HB% ) (( segid " " and resid 1745 and name H )) 2.300 0.600 0.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.77041E-02 ppm1 1.558 ppm2 8.790 CV 1 ASSI { 1611} (( segid " " and resid 1677 and name HB3 )) (( segid " " and resid 1678 and name H )) 3.300 1.400 1.400 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.22214E-02 ppm1 2.206 ppm2 8.110 CV 1 ASSI { 1612} ( segid " " and resid 1678 and name HB% ) (( segid " " and resid 1681 and name H )) 4.300 2.300 1.700 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.48085E-03 ppm1 1.602 ppm2 7.889 CV 1 ASSI { 1613} ( segid " " and resid 1678 and name HB% ) (( segid " " and resid 1678 and name HA )) 2.100 0.500 0.500 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.11747E-01 ppm1 1.601 ppm2 4.283 CV 1 ASSI { 1614} ( segid " " and resid 1678 and name HB% ) (( segid " " and resid 1675 and name HA )) 2.300 0.700 0.700 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.57465E-02 ppm1 1.601 ppm2 4.018 CV 1 ASSI { 1615} ( segid " " and resid 1678 and name HB% ) (( segid " " and resid 1746 and name HA )) 3.400 1.500 1.500 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.13884E-02 ppm1 1.601 ppm2 3.493 CV 1 ASSI { 1616} ( segid " " and resid 1678 and name HB% ) (( segid " " and resid 1746 and name HB )) 4.200 2.200 1.800 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.15103E-02 ppm1 1.602 ppm2 2.083 CV 1 ASSI { 1619} ( segid " " and resid 1678 and name HB% ) ( segid " " and resid 1746 and name HG2%) 2.000 0.500 0.500 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.14981E-01 ppm1 1.600 ppm2 0.970 CV 1 ASSI { 1620} ( segid " " and resid 1678 and name HB% ) ( segid " " and resid 1687 and name HD1%) 3.700 1.700 1.700 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.21841E-02 ppm1 1.598 ppm2 0.865 CV 1 ASSI { 1621} ( segid " " and resid 1678 and name HB% ) ( segid " " and resid 1762 and name HD1%) 2.100 0.600 0.600 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.91500E-02 ppm1 1.601 ppm2 0.767 CV 1 OR { 1621} ( segid " " and resid 1678 and name HB% ) ( segid " " and resid 1762 and name HD2%) ASSI { 1629} (( segid " " and resid 1680 and name HA )) (( segid " " and resid 1680 and name HG )) 2.900 1.000 1.000 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.30104E-02 ppm1 4.148 ppm2 1.727 CV 1 ASSI { 1632} (( segid " " and resid 1721 and name HA )) ( segid " " and resid 1782 and name HB% ) 2.600 0.800 0.800 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.38807E-02 ppm1 4.144 ppm2 1.498 CV 1 ASSI { 1633} (( segid " " and resid 1672 and name HB3 )) (( segid " " and resid 1672 and name HB2 )) 2.000 0.500 0.500 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.77986E-02 ppm1 1.638 ppm2 1.942 CV 1 ASSI { 1634} (( segid " " and resid 1680 and name HB2 )) (( segid " " and resid 1680 and name HB3 )) 1.800 0.400 0.400 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.14076E-01 ppm1 1.637 ppm2 1.806 CV 1 ASSI { 1635} (( segid " " and resid 1680 and name HB3 )) (( segid " " and resid 1680 and name HG )) 2.200 0.600 0.600 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.91732E-02 ppm1 1.805 ppm2 1.730 CV 1 ASSI { 1637} (( segid " " and resid 1680 and name HB3 )) (( segid " " and resid 1680 and name HA )) 2.800 0.900 0.900 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.44360E-02 ppm1 1.808 ppm2 4.146 CV 1 ASSI { 1638} (( segid " " and resid 1680 and name HB3 )) (( segid " " and resid 1677 and name HA )) 2.600 0.900 0.900 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.28716E-02 ppm1 1.808 ppm2 4.070 CV 1 ASSI { 1639} (( segid " " and resid 1680 and name HB2 )) (( segid " " and resid 1680 and name HA )) 2.400 0.700 0.700 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.50726E-02 ppm1 1.638 ppm2 4.146 CV 1 ASSI { 1640} (( segid " " and resid 1680 and name HB2 )) (( segid " " and resid 1677 and name HA )) 3.200 1.300 1.300 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.23670E-02 ppm1 1.639 ppm2 4.072 CV 1 ASSI { 1642} (( segid " " and resid 1721 and name HA )) (( segid " " and resid 1722 and name H )) 3.100 1.200 1.200 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.13410E-02 ppm1 4.145 ppm2 7.349 CV 1 ASSI { 1645} (( segid " " and resid 1680 and name HB2 )) (( segid " " and resid 1680 and name H )) 2.700 0.900 0.900 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.33660E-02 ppm1 1.637 ppm2 7.983 CV 1 ASSI { 1646} (( segid " " and resid 1680 and name HB2 )) (( segid " " and resid 1681 and name H )) 3.400 1.400 1.400 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.23026E-02 ppm1 1.638 ppm2 7.891 CV 1 ASSI { 1647} (( segid " " and resid 1680 and name HB3 )) (( segid " " and resid 1680 and name H )) 2.400 0.700 0.700 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.58549E-02 ppm1 1.808 ppm2 7.983 CV 1 ASSI { 1648} (( segid " " and resid 1680 and name HB3 )) (( segid " " and resid 1681 and name H )) 2.700 0.900 0.900 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.27903E-02 ppm1 1.807 ppm2 7.891 CV 1 ASSI { 1649} (( segid " " and resid 1680 and name HA )) (( segid " " and resid 1681 and name H )) 3.200 1.300 1.300 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.16017E-02 ppm1 4.151 ppm2 7.892 CV 1 ASSI { 1650} ( segid " " and resid 1680 and name HD2%) (( segid " " and resid 1680 and name H )) 5.100 3.200 0.900 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.33186E-03 ppm1 0.896 ppm2 7.969 CV 1 ASSI { 1651} ( segid " " and resid 1680 and name HD1%) (( segid " " and resid 1680 and name H )) 4.700 2.800 1.300 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.44022E-03 ppm1 0.896 ppm2 7.965 CV 1 ASSI { 1652} (( segid " " and resid 1680 and name HG )) (( segid " " and resid 1680 and name H )) 3.200 1.300 1.300 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.28885E-02 ppm1 1.726 ppm2 7.984 CV 1 ASSI { 1653} (( segid " " and resid 1680 and name HA )) (( segid " " and resid 1679 and name H )) 4.300 2.300 1.700 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.70774E-03 ppm1 4.149 ppm2 8.480 CV 1 ASSI { 1655} (( segid " " and resid 1753 and name HB3 )) (( segid " " and resid 1753 and name H )) 3.000 1.100 1.100 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.22654E-02 ppm1 1.663 ppm2 8.486 CV 1 ASSI { 1656} (( segid " " and resid 1703 and name HB2 )) (( segid " " and resid 1703 and name H )) 2.400 0.700 0.700 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.45715E-02 ppm1 1.611 ppm2 8.479 CV 1 ASSI { 1657} ( segid " " and resid 1703 and name HD2%) (( segid " " and resid 1706 and name H )) 3.500 1.500 1.500 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.15848E-02 ppm1 0.894 ppm2 8.492 CV 1 ASSI { 1659} ( segid " " and resid 1680 and name HD1%) (( segid " " and resid 1680 and name HA )) 2.200 0.600 0.600 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.12221E-01 ppm1 0.897 ppm2 4.148 CV 1 ASSI { 1660} ( segid " " and resid 1703 and name HD2%) (( segid " " and resid 1703 and name HA )) 2.300 0.600 0.600 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.81375E-02 ppm1 0.892 ppm2 3.835 CV 1 ASSI { 1661} ( segid " " and resid 1776 and name HD2%) (( segid " " and resid 1773 and name HA )) 3.500 1.500 1.500 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.36910E-03 ppm1 0.893 ppm2 3.721 CV 1 ASSI { 1662} ( segid " " and resid 1680 and name HD2%) (( segid " " and resid 1680 and name HG )) 2.200 0.600 0.600 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.12793E-01 ppm1 0.895 ppm2 1.728 CV 1 ASSI { 1663} ( segid " " and resid 1680 and name HD1%) (( segid " " and resid 1680 and name HG )) 2.100 0.500 0.500 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.17991E-01 ppm1 0.899 ppm2 1.716 CV 1 ASSI { 1664} ( segid " " and resid 1680 and name HD2%) (( segid " " and resid 1680 and name HB3 )) 2.400 0.700 0.700 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.61494E-02 ppm1 0.894 ppm2 1.806 CV 1 ASSI { 1665} ( segid " " and resid 1703 and name HD2%) (( segid " " and resid 1703 and name HB2 )) 2.200 0.600 0.600 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.10677E-01 ppm1 0.891 ppm2 1.624 CV 1 ASSI { 1669} ( segid " " and resid 1681 and name HB% ) ( segid " " and resid 1687 and name HD1%) 3.400 1.500 1.500 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.27192E-02 ppm1 1.403 ppm2 0.853 CV 1 ASSI { 1670} ( segid " " and resid 1683 and name HG2%) (( segid " " and resid 1683 and name H )) 3.200 1.200 1.200 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.41143E-02 ppm1 1.112 ppm2 8.363 CV 1 ASSI { 1671} ( segid " " and resid 1683 and name HG1%) (( segid " " and resid 1683 and name H )) 2.300 0.700 0.700 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.82831E-02 ppm1 1.236 ppm2 8.365 CV 1 ASSI { 1672} (( segid " " and resid 1683 and name HA )) (( segid " " and resid 1683 and name H )) 2.700 0.900 0.900 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.35963E-02 ppm1 4.004 ppm2 8.361 CV 1 ASSI { 1673} (( segid " " and resid 1683 and name HA )) (( segid " " and resid 1685 and name H )) 3.000 1.200 1.200 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.23941E-02 ppm1 4.003 ppm2 8.003 CV 1 ASSI { 1674} ( segid " " and resid 1683 and name HG1%) (( segid " " and resid 1685 and name H )) 3.700 1.700 1.700 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.21570E-02 ppm1 1.232 ppm2 8.006 CV 1 ASSI { 1675} ( segid " " and resid 1683 and name HG2%) (( segid " " and resid 1685 and name H )) 3.600 1.700 1.700 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 1.115 ppm2 8.000 CV 1 ASSI { 1676} ( segid " " and resid 1683 and name HG2%) (( segid " " and resid 1684 and name H )) 3.400 1.400 1.400 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.19302E-02 ppm1 1.114 ppm2 7.419 CV 1 ASSI { 1677} ( segid " " and resid 1683 and name HG1%) (( segid " " and resid 1684 and name H )) 3.000 1.100 1.100 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.21198E-02 ppm1 1.236 ppm2 7.422 CV 1 ASSI { 1679} ( segid " " and resid 1683 and name HG2%) (( segid " " and resid 1680 and name HA )) 3.200 1.300 1.300 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.34167E-02 ppm1 1.115 ppm2 4.144 CV 1 ASSI { 1680} ( segid " " and resid 1683 and name HG1%) (( segid " " and resid 1680 and name HA )) 2.300 0.700 0.700 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.77041E-02 ppm1 1.234 ppm2 4.150 CV 1 ASSI { 1681} (( segid " " and resid 1683 and name HB )) (( segid " " and resid 1680 and name HA )) 3.000 1.100 1.100 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.26514E-02 ppm1 2.313 ppm2 4.148 CV 1 ASSI { 1683} ( segid " " and resid 1683 and name HG2%) (( segid " " and resid 1683 and name HA )) 2.400 0.700 0.700 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.86179E-02 ppm1 1.114 ppm2 4.004 CV 1 ASSI { 1684} ( segid " " and resid 1683 and name HG1%) (( segid " " and resid 1683 and name HA )) 2.500 0.800 0.800 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.11314E-01 ppm1 1.234 ppm2 4.005 CV 1 ASSI { 1685} (( segid " " and resid 1683 and name HB )) (( segid " " and resid 1683 and name HA )) 2.500 0.800 0.800 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.56313E-02 ppm1 2.309 ppm2 4.002 CV 1 ASSI { 1686} ( segid " " and resid 1683 and name HG2%) (( segid " " and resid 1683 and name HB )) 2.200 0.600 0.600 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.11808E-01 ppm1 1.113 ppm2 2.313 CV 1 ASSI { 1687} ( segid " " and resid 1683 and name HG1%) (( segid " " and resid 1683 and name HB )) 2.200 0.600 0.600 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.11042E-01 ppm1 1.235 ppm2 2.311 CV 1 ASSI { 1689} ( segid " " and resid 1683 and name HG1%) ( segid " " and resid 1759 and name HE% ) 2.900 1.000 1.000 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.60885E-02 ppm1 1.236 ppm2 2.008 CV 1 ASSI { 1690} ( segid " " and resid 1683 and name HG2%) ( segid " " and resid 1759 and name HE% ) 3.000 1.100 1.100 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.29223E-02 ppm1 1.111 ppm2 2.006 CV 1 ASSI { 1692} ( segid " " and resid 1683 and name HG1%) ( segid " " and resid 1683 and name HG2%) 2.200 0.600 0.600 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.15065E-01 ppm1 1.236 ppm2 1.124 CV 1 ASSI { 1695} (( segid " " and resid 1684 and name HA )) (( segid " " and resid 1684 and name H )) 2.800 0.900 0.900 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.35488E-02 ppm1 4.582 ppm2 7.426 CV 1 ASSI { 1696} (( segid " " and resid 1684 and name HA )) (( segid " " and resid 1685 and name H )) 3.000 1.100 1.100 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.22146E-02 ppm1 4.582 ppm2 8.007 CV 1 ASSI { 1697} (( segid " " and resid 1684 and name HA )) (( segid " " and resid 1684 and name HB3 )) 2.300 0.700 0.700 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.11611E-01 ppm1 4.581 ppm2 3.985 CV 1 OR { 1697} (( segid " " and resid 1684 and name HA )) (( segid " " and resid 1684 and name HB2 )) ASSI { 1698} (( segid " " and resid 1684 and name HA )) (( segid " " and resid 1685 and name HB2 )) 3.300 1.300 1.300 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.12495E-02 ppm1 4.582 ppm2 2.288 CV 1 ASSI { 1699} (( segid " " and resid 1684 and name HA )) ( segid " " and resid 1683 and name HG2%) 3.400 1.500 1.500 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.11818E-02 ppm1 4.582 ppm2 1.115 CV 1 ASSI { 1700} (( segid " " and resid 1685 and name HB2 )) (( segid " " and resid 1685 and name H )) 3.400 1.400 1.400 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.16593E-02 ppm1 2.294 ppm2 8.004 CV 1 OR { 1700} (( segid " " and resid 1685 and name HB3 )) (( segid " " and resid 1685 and name H )) ASSI { 1701} (( segid " " and resid 1685 and name HA )) (( segid " " and resid 1685 and name H )) 2.200 0.600 0.600 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.97454E-02 ppm1 4.195 ppm2 8.005 CV 1 ASSI { 1704} (( segid " " and resid 1685 and name HA )) (( segid " " and resid 1685 and name HB3 )) 2.300 0.700 0.700 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.83539E-02 ppm1 4.195 ppm2 2.295 CV 1 OR { 1704} (( segid " " and resid 1685 and name HA )) (( segid " " and resid 1685 and name HB2 )) ASSI { 1705} (( segid " " and resid 1685 and name HA )) (( segid " " and resid 1685 and name HG3 )) 2.700 0.900 0.900 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.40974E-02 ppm1 4.196 ppm2 2.149 CV 1 ASSI { 1706} (( segid " " and resid 1685 and name HB3 )) (( segid " " and resid 1685 and name HG2 )) 2.300 0.700 0.700 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.95052E-02 ppm1 2.294 ppm2 2.157 CV 1 OR { 1706} (( segid " " and resid 1685 and name HB2 )) (( segid " " and resid 1685 and name HG2 )) ASSI { 1707} (( segid " " and resid 1685 and name HG2 )) (( segid " " and resid 1685 and name HB3 )) 2.000 0.500 0.500 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.15949E-01 ppm1 2.170 ppm2 2.295 CV 1 ASSI { 1708} (( segid " " and resid 1685 and name HG3 )) (( segid " " and resid 1685 and name HB2 )) 2.000 0.500 0.500 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.15337E-01 ppm1 2.139 ppm2 2.296 CV 1 ASSI { 1709} (( segid " " and resid 1758 and name HG3 )) (( segid " " and resid 1758 and name HG2 )) 1.800 0.400 0.400 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.75244E-02 ppm1 2.143 ppm2 2.509 CV 1 ASSI { 1710} (( segid " " and resid 1758 and name HG3 )) (( segid " " and resid 1758 and name HB2 )) 2.400 0.700 0.700 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.33795E-02 ppm1 2.142 ppm2 2.411 CV 1 ASSI { 1711} (( segid " " and resid 1758 and name HG3 )) ( segid " " and resid 1752 and name HG2%) 3.200 1.300 1.300 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.59937E-03 ppm1 2.135 ppm2 1.337 CV 1 ASSI { 1712} (( segid " " and resid 1758 and name HG3 )) ( segid " " and resid 1762 and name HD2%) 3.900 1.900 1.900 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.94140E-03 ppm1 2.143 ppm2 0.775 CV 1 ASSI { 1715} (( segid " " and resid 1685 and name HG2 )) (( segid " " and resid 1685 and name HA )) 2.600 0.800 0.800 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.38908E-02 ppm1 2.170 ppm2 4.195 CV 1 ASSI { 1717} (( segid " " and resid 1758 and name HG3 )) (( segid " " and resid 1758 and name HE21)) 2.900 1.100 1.100 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.84655E-03 ppm1 2.140 ppm2 6.844 CV 1 ASSI { 1718} (( segid " " and resid 1758 and name HG3 )) (( segid " " and resid 1758 and name HE22)) 3.800 1.800 1.800 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.13749E-02 ppm1 2.142 ppm2 7.485 CV 1 ASSI { 1719} (( segid " " and resid 1685 and name HG3 )) (( segid " " and resid 1685 and name H )) 3.000 1.100 1.100 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.25533E-02 ppm1 2.167 ppm2 8.005 CV 1 OR { 1719} (( segid " " and resid 1685 and name HG2 )) (( segid " " and resid 1685 and name H )) ASSI { 1720} (( segid " " and resid 1685 and name HG3 )) (( segid " " and resid 1685 and name H )) 2.900 1.000 1.000 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.25397E-02 ppm1 2.140 ppm2 8.003 CV 1 ASSI { 1721} (( segid " " and resid 1758 and name HG3 )) (( segid " " and resid 1758 and name H )) 4.100 2.100 1.900 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.91432E-03 ppm1 2.145 ppm2 8.336 CV 1 ASSI { 1722} (( segid " " and resid 1685 and name HG2 )) (( segid " " and resid 1686 and name H )) 4.300 2.300 1.700 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.58583E-03 ppm1 2.168 ppm2 8.494 CV 1 ASSI { 1723} (( segid " " and resid 1685 and name HG3 )) (( segid " " and resid 1686 and name H )) 4.700 2.800 1.300 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.40974E-03 ppm1 2.138 ppm2 8.493 CV 1 ASSI { 1725} (( segid " " and resid 1690 and name HB2 )) (( segid " " and resid 1690 and name H )) 2.700 0.900 0.900 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.32677E-02 ppm1 1.702 ppm2 8.060 CV 1 OR { 1725} (( segid " " and resid 1690 and name HB3 )) (( segid " " and resid 1690 and name H )) ASSI { 1727} (( segid " " and resid 1686 and name HB3 )) (( segid " " and resid 1686 and name H )) 3.800 1.800 1.800 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.13037E-02 ppm1 2.378 ppm2 8.489 CV 1 ASSI { 1728} (( segid " " and resid 1686 and name HG2 )) (( segid " " and resid 1686 and name H )) 3.500 1.600 1.600 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.16660E-02 ppm1 2.277 ppm2 8.489 CV 1 ASSI { 1731} (( segid " " and resid 1793 and name HG3 )) (( segid " " and resid 1793 and name HE22)) 3.700 1.700 1.700 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.18760E-02 ppm1 2.391 ppm2 6.720 CV 1 OR { 1731} (( segid " " and resid 1793 and name HG2 )) (( segid " " and resid 1793 and name HE22)) ASSI { 1735} (( segid " " and resid 1686 and name HB3 )) (( segid " " and resid 1686 and name HA )) 2.600 0.900 0.900 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.37690E-02 ppm1 2.371 ppm2 4.535 CV 1 ASSI { 1736} (( segid " " and resid 1686 and name HG2 )) (( segid " " and resid 1686 and name HA )) 2.600 0.800 0.800 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.41550E-02 ppm1 2.276 ppm2 4.537 CV 1 ASSI { 1743} (( segid " " and resid 1686 and name HB2 )) (( segid " " and resid 1681 and name HA )) 2.900 1.000 1.000 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.17372E-02 ppm1 1.700 ppm2 4.097 CV 1 ASSI { 1744} (( segid " " and resid 1686 and name HB3 )) (( segid " " and resid 1681 and name HA )) 4.500 2.500 1.500 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.95154E-03 ppm1 2.371 ppm2 4.101 CV 1 ASSI { 1745} (( segid " " and resid 1686 and name HG2 )) (( segid " " and resid 1681 and name HA )) 4.600 2.600 1.400 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.85676E-03 ppm1 2.277 ppm2 4.102 CV 1 ASSI { 1746} (( segid " " and resid 1686 and name HG2 )) (( segid " " and resid 1684 and name HB3 )) 3.800 1.800 1.800 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.15949E-02 ppm1 2.275 ppm2 3.982 CV 1 OR { 1746} (( segid " " and resid 1686 and name HG2 )) (( segid " " and resid 1684 and name HB2 )) ASSI { 1747} (( segid " " and resid 1793 and name HG3 )) (( segid " " and resid 1793 and name HA )) 2.700 0.900 0.900 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.51708E-02 ppm1 2.402 ppm2 4.033 CV 1 ASSI { 1748} (( segid " " and resid 1690 and name HB2 )) (( segid " " and resid 1690 and name HD2 )) 3.100 1.200 1.200 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.21503E-02 ppm1 1.712 ppm2 3.194 CV 1 OR { 1748} (( segid " " and resid 1690 and name HB2 )) (( segid " " and resid 1690 and name HD3 )) OR { 1748} (( segid " " and resid 1690 and name HB3 )) (( segid " " and resid 1690 and name HD3 )) OR { 1748} (( segid " " and resid 1690 and name HB3 )) (( segid " " and resid 1690 and name HD2 )) ASSI { 1749} (( segid " " and resid 1686 and name HA )) (( segid " " and resid 1686 and name HB3 )) 2.500 0.800 0.800 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.70570E-02 ppm1 4.534 ppm2 2.373 CV 1 OR { 1749} (( segid " " and resid 1686 and name HA )) (( segid " " and resid 1686 and name HG3 )) ASSI { 1751} (( segid " " and resid 1686 and name HB2 )) (( segid " " and resid 1686 and name HB3 )) 1.900 0.400 0.400 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.13223E-01 ppm1 1.693 ppm2 2.375 CV 1 OR { 1751} (( segid " " and resid 1686 and name HB2 )) (( segid " " and resid 1686 and name HG3 )) ASSI { 1753} (( segid " " and resid 1686 and name HB3 )) (( segid " " and resid 1686 and name HG2 )) 2.300 0.700 0.700 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.65998E-02 ppm1 2.375 ppm2 2.280 CV 1 ASSI { 1754} (( segid " " and resid 1686 and name HG2 )) (( segid " " and resid 1686 and name HG3 )) 1.600 0.300 0.600 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.35115E-01 ppm1 2.277 ppm2 2.361 CV 1 ASSI { 1758} (( segid " " and resid 1686 and name HG3 )) (( segid " " and resid 1686 and name HB2 )) 2.300 0.700 0.700 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.60140E-02 ppm1 2.361 ppm2 1.696 CV 1 ASSI { 1759} (( segid " " and resid 1686 and name HG2 )) (( segid " " and resid 1686 and name HB2 )) 2.900 1.000 1.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.50523E-02 ppm1 2.276 ppm2 1.695 CV 1 ASSI { 1760} (( segid " " and resid 1686 and name HB3 )) (( segid " " and resid 1686 and name HB2 )) 1.900 0.500 0.500 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.10362E-01 ppm1 2.373 ppm2 1.695 CV 1 ASSI { 1761} (( segid " " and resid 1686 and name HA )) (( segid " " and resid 1686 and name HB2 )) 3.100 1.200 1.200 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.29867E-02 ppm1 4.533 ppm2 1.693 CV 1 ASSI { 1762} (( segid " " and resid 1686 and name HB3 )) ( segid " " and resid 1681 and name HB% ) 3.900 1.900 1.900 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.10565E-02 ppm1 2.373 ppm2 1.405 CV 1 ASSI { 1763} (( segid " " and resid 1686 and name HA )) ( segid " " and resid 1681 and name HB% ) 4.500 2.600 1.500 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.44699E-03 ppm1 4.530 ppm2 1.395 CV 1 ASSI { 1764} (( segid " " and resid 1780 and name HD3 )) ( segid " " and resid 1665 and name HG2%) 3.100 1.200 1.200 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.78565E-03 ppm1 1.667 ppm2 0.824 CV 1 ASSI { 1765} (( segid " " and resid 1766 and name HD2 )) ( segid " " and resid 1675 and name HD1%) 4.100 2.100 1.900 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 1.698 ppm2 0.797 CV 1 OR { 1765} (( segid " " and resid 1766 and name HD3 )) ( segid " " and resid 1675 and name HD1%) ASSI { 1766} (( segid " " and resid 1687 and name HA )) (( segid " " and resid 1687 and name HB3 )) 2.900 1.000 1.000 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.26955E-02 ppm1 4.416 ppm2 1.023 CV 1 ASSI { 1767} (( segid " " and resid 1687 and name HA )) ( segid " " and resid 1687 and name HD2%) 2.300 0.600 0.600 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.78361E-02 ppm1 4.416 ppm2 0.962 CV 1 ASSI { 1768} (( segid " " and resid 1687 and name HA )) ( segid " " and resid 1687 and name HD1%) 3.200 1.200 1.200 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.15712E-02 ppm1 4.418 ppm2 0.856 CV 1 ASSI { 1769} (( segid " " and resid 1687 and name HB3 )) ( segid " " and resid 1687 and name HD1%) 3.000 1.100 1.100 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.16965E-02 ppm1 1.020 ppm2 0.854 CV 1 ASSI { 1770} (( segid " " and resid 1687 and name HA )) (( segid " " and resid 1687 and name HB2 )) 2.800 1.000 1.000 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.21672E-02 ppm1 4.417 ppm2 1.918 CV 1 ASSI { 1773} (( segid " " and resid 1687 and name HA )) (( segid " " and resid 1687 and name HG )) 3.400 1.500 1.500 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 4.416 ppm2 1.263 CV 1 ASSI { 1775} (( segid " " and resid 1687 and name HB3 )) ( segid " " and resid 1682 and name HB% ) 3.900 1.900 1.900 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.81947E-03 ppm1 1.016 ppm2 1.546 CV 1 ASSI { 1776} (( segid " " and resid 1687 and name HB3 )) ( segid " " and resid 1681 and name HB% ) 4.100 2.200 1.900 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 1.021 ppm2 1.402 CV 1 ASSI { 1778} (( segid " " and resid 1687 and name HB2 )) ( segid " " and resid 1682 and name HB% ) 3.400 1.400 1.400 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.91766E-03 ppm1 1.917 ppm2 1.548 CV 1 ASSI { 1779} (( segid " " and resid 1687 and name HB2 )) ( segid " " and resid 1681 and name HB% ) 3.100 1.200 1.200 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.10904E-02 ppm1 1.916 ppm2 1.400 CV 1 ASSI { 1781} (( segid " " and resid 1687 and name HB3 )) (( segid " " and resid 1682 and name HA )) 3.800 1.800 1.800 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.97189E-03 ppm1 1.012 ppm2 4.156 CV 1 ASSI { 1782} (( segid " " and resid 1687 and name HA )) (( segid " " and resid 1688 and name H )) 2.200 0.600 0.600 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.76700E-02 ppm1 4.416 ppm2 8.295 CV 1 ASSI { 1785} (( segid " " and resid 1687 and name HB2 )) (( segid " " and resid 1682 and name HA )) 3.200 1.200 1.200 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 1.917 ppm2 4.160 CV 1 ASSI { 1788} (( segid " " and resid 1687 and name HG )) (( segid " " and resid 1750 and name HB2 )) 3.700 1.700 1.700 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.88717E-03 ppm1 1.274 ppm2 4.219 CV 1 OR { 1788} (( segid " " and resid 1687 and name HG )) (( segid " " and resid 1750 and name HB3 )) ASSI { 1789} (( segid " " and resid 1687 and name HG )) (( segid " " and resid 1682 and name HA )) 4.000 2.000 2.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.65355E-03 ppm1 1.260 ppm2 4.167 CV 1 ASSI { 1790} (( segid " " and resid 1687 and name HG )) (( segid " " and resid 1750 and name HA )) 3.400 3.400 2.600 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 1.265 ppm2 4.047 CV 1 ASSI { 1791} (( segid " " and resid 1687 and name HG )) (( segid " " and resid 1687 and name HB2 )) 2.900 1.000 1.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.18218E-02 ppm1 1.264 ppm2 1.924 CV 1 ASSI { 1792} (( segid " " and resid 1687 and name HG )) (( segid " " and resid 1687 and name HB3 )) 2.900 1.100 1.100 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 1.264 ppm2 1.022 CV 1 ASSI { 1794} (( segid " " and resid 1687 and name HB2 )) (( segid " " and resid 1687 and name HB3 )) 2.100 0.500 0.500 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.52555E-02 ppm1 1.918 ppm2 1.019 CV 1 ASSI { 1795} (( segid " " and resid 1687 and name HB2 )) ( segid " " and resid 1687 and name HD1%) 3.100 1.200 1.200 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.30205E-02 ppm1 1.919 ppm2 0.856 CV 1 ASSI { 1797} ( segid " " and resid 1675 and name HD2%) ( segid " " and resid 1675 and name HD1%) 2.000 0.500 0.500 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.16640E-01 ppm1 0.952 ppm2 0.791 CV 1 ASSI { 1799} ( segid " " and resid 1796 and name HD2%) (( segid " " and resid 1796 and name HB3 )) 2.100 0.600 0.600 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.10003E-01 ppm1 0.853 ppm2 1.904 CV 1 ASSI { 1800} ( segid " " and resid 1687 and name HD1%) (( segid " " and resid 1687 and name HG )) 2.200 0.600 0.600 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.87098E-02 ppm1 0.851 ppm2 1.266 CV 1 ASSI { 1802} (( segid " " and resid 1688 and name HA )) (( segid " " and resid 1689 and name HD2 )) 2.300 0.700 0.700 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.11977E-01 ppm1 4.572 ppm2 3.912 CV 1 ASSI { 1803} (( segid " " and resid 1688 and name HA )) (( segid " " and resid 1689 and name HD3 )) 2.200 0.600 0.600 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.92718E-02 ppm1 4.572 ppm2 3.647 CV 1 ASSI { 1804} ( segid " " and resid 1688 and name HB% ) (( segid " " and resid 1687 and name HA )) 3.800 1.800 1.800 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.22248E-02 ppm1 1.344 ppm2 4.424 CV 1 ASSI { 1805} ( segid " " and resid 1688 and name HB% ) (( segid " " and resid 1689 and name HG2 )) 3.900 1.900 1.900 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.23602E-02 ppm1 1.347 ppm2 2.123 CV 1 ASSI { 1806} (( segid " " and resid 1688 and name HA )) (( segid " " and resid 1689 and name HG2 )) 4.000 2.000 2.000 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.23907E-02 ppm1 4.572 ppm2 2.128 CV 1 OR { 1806} (( segid " " and resid 1688 and name HA )) (( segid " " and resid 1689 and name HG3 )) ASSI { 1808} (( segid " " and resid 1689 and name HD2 )) ( segid " " and resid 1688 and name HB% ) 2.600 0.800 0.800 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.33829E-02 ppm1 3.912 ppm2 1.343 CV 1 ASSI { 1810} (( segid " " and resid 1689 and name HD3 )) (( segid " " and resid 1689 and name HG2 )) 2.300 0.700 0.700 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.79953E-02 ppm1 3.646 ppm2 2.126 CV 1 OR { 1810} (( segid " " and resid 1689 and name HD3 )) (( segid " " and resid 1689 and name HG3 )) ASSI { 1811} (( segid " " and resid 1689 and name HB3 )) (( segid " " and resid 1689 and name HB2 )) 1.700 0.400 0.500 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.19651E-01 ppm1 1.849 ppm2 2.142 CV 1 ASSI { 1812} (( segid " " and resid 1689 and name HA )) (( segid " " and resid 1689 and name HB2 )) 2.700 0.900 0.900 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.62951E-02 ppm1 4.168 ppm2 2.141 CV 1 ASSI { 1813} (( segid " " and resid 1689 and name HA )) (( segid " " and resid 1689 and name HB3 )) 2.600 0.800 0.800 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.29461E-02 ppm1 4.168 ppm2 1.850 CV 1 ASSI { 1814} (( segid " " and resid 1689 and name HB3 )) (( segid " " and resid 1689 and name HD3 )) 3.700 1.700 1.700 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.15272E-02 ppm1 1.847 ppm2 3.647 CV 1 ASSI { 1815} (( segid " " and resid 1689 and name HD2 )) (( segid " " and resid 1689 and name HD3 )) 1.700 0.400 0.500 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.18513E-01 ppm1 3.911 ppm2 3.647 CV 1 ASSI { 1817} (( segid " " and resid 1679 and name HB2 )) (( segid " " and resid 1679 and name HB3 )) 1.900 0.400 0.400 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.10924E-01 ppm1 4.129 ppm2 3.996 CV 1 ASSI { 1822} (( segid " " and resid 1689 and name HA )) (( segid " " and resid 1690 and name H )) 2.400 0.700 0.700 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.54790E-02 ppm1 4.168 ppm2 8.064 CV 1 ASSI { 1823} (( segid " " and resid 1679 and name HB2 )) (( segid " " and resid 1680 and name H )) 3.800 1.800 1.800 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.16999E-02 ppm1 4.129 ppm2 7.983 CV 1 ASSI { 1827} (( segid " " and resid 1690 and name HA )) (( segid " " and resid 1690 and name H )) 2.900 1.000 1.000 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.21943E-02 ppm1 4.287 ppm2 8.064 CV 1 ASSI { 1828} (( segid " " and resid 1743 and name HG )) (( segid " " and resid 1743 and name H )) 2.700 0.900 0.900 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.24517E-02 ppm1 1.702 ppm2 8.207 CV 1 ASSI { 1829} (( segid " " and resid 1690 and name HG2 )) (( segid " " and resid 1690 and name H )) 3.300 1.400 1.400 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.16593E-02 ppm1 1.703 ppm2 8.069 CV 1 OR { 1829} (( segid " " and resid 1690 and name HG3 )) (( segid " " and resid 1690 and name H )) ASSI { 1830} (( segid " " and resid 1690 and name HD2 )) (( segid " " and resid 1690 and name H )) 3.300 1.400 1.400 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.13105E-02 ppm1 3.193 ppm2 8.062 CV 1 OR { 1830} (( segid " " and resid 1690 and name HD3 )) (( segid " " and resid 1690 and name H )) ASSI { 1831} (( segid " " and resid 1690 and name HD2 )) (( segid " " and resid 1690 and name HA )) 2.800 1.000 1.000 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.39382E-02 ppm1 3.193 ppm2 4.290 CV 1 OR { 1831} (( segid " " and resid 1690 and name HD3 )) (( segid " " and resid 1690 and name HA )) ASSI { 1832} (( segid " " and resid 1690 and name HG3 )) (( segid " " and resid 1690 and name HA )) 3.000 1.200 1.200 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.26921E-02 ppm1 1.699 ppm2 4.288 CV 1 OR { 1832} (( segid " " and resid 1690 and name HG2 )) (( segid " " and resid 1690 and name HA )) ASSI { 1833} (( segid " " and resid 1743 and name HG )) (( segid " " and resid 1743 and name HA )) 3.100 1.200 1.200 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.17372E-02 ppm1 1.713 ppm2 4.092 CV 1 ASSI { 1835} (( segid " " and resid 1690 and name HD2 )) (( segid " " and resid 1747 and name HA3 )) 3.200 1.300 1.300 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.20284E-02 ppm1 3.189 ppm2 3.735 CV 1 OR { 1835} (( segid " " and resid 1690 and name HD3 )) (( segid " " and resid 1747 and name HA3 )) OR { 1835} (( segid " " and resid 1690 and name HD2 )) (( segid " " and resid 1747 and name HA2 )) OR { 1835} (( segid " " and resid 1690 and name HD3 )) (( segid " " and resid 1747 and name HA2 )) ASSI { 1836} (( segid " " and resid 1690 and name HB3 )) (( segid " " and resid 1747 and name HA3 )) 3.300 1.400 1.400 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.12733E-02 ppm1 1.706 ppm2 3.728 CV 1 OR { 1836} (( segid " " and resid 1690 and name HB3 )) (( segid " " and resid 1747 and name HA2 )) OR { 1836} (( segid " " and resid 1690 and name HB2 )) (( segid " " and resid 1747 and name HA2 )) OR { 1836} (( segid " " and resid 1690 and name HB2 )) (( segid " " and resid 1747 and name HA3 )) ASSI { 1839} (( segid " " and resid 1690 and name HA )) (( segid " " and resid 1690 and name HB3 )) 2.200 0.600 0.600 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.99931E-02 ppm1 4.287 ppm2 1.705 CV 1 OR { 1839} (( segid " " and resid 1690 and name HA )) (( segid " " and resid 1690 and name HB2 )) ASSI { 1840} (( segid " " and resid 1690 and name HD3 )) (( segid " " and resid 1690 and name HG3 )) 2.100 0.600 0.600 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.13985E-01 ppm1 3.190 ppm2 1.700 CV 1 OR { 1840} (( segid " " and resid 1690 and name HD2 )) (( segid " " and resid 1690 and name HG2 )) OR { 1840} (( segid " " and resid 1690 and name HD2 )) (( segid " " and resid 1690 and name HG3 )) OR { 1840} (( segid " " and resid 1690 and name HD3 )) (( segid " " and resid 1690 and name HG2 )) ASSI { 1841} (( segid " " and resid 1690 and name HD3 )) ( segid " " and resid 1693 and name HG2%) 2.900 1.100 1.100 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.31425E-02 ppm1 3.191 ppm2 0.787 CV 1 OR { 1841} (( segid " " and resid 1690 and name HD2 )) ( segid " " and resid 1693 and name HG2%) ASSI { 1842} (( segid " " and resid 1690 and name HD2 )) ( segid " " and resid 1698 and name HD1%) 3.700 1.700 1.700 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.80252E-03 ppm1 3.186 ppm2 0.620 CV 1 OR { 1842} (( segid " " and resid 1690 and name HD3 )) ( segid " " and resid 1698 and name HD1%) ASSI { 1843} (( segid " " and resid 1690 and name HB3 )) ( segid " " and resid 1698 and name HD1%) 3.900 1.900 1.900 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.46731E-03 ppm1 1.704 ppm2 0.632 CV 1 OR { 1843} (( segid " " and resid 1690 and name HB2 )) ( segid " " and resid 1698 and name HD1%) ASSI { 1844} (( segid " " and resid 1690 and name HG2 )) ( segid " " and resid 1698 and name HD1%) 3.400 1.500 1.500 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.91092E-03 ppm1 1.718 ppm2 0.628 CV 1 OR { 1844} (( segid " " and resid 1690 and name HG3 )) ( segid " " and resid 1698 and name HD1%) ASSI { 1845} (( segid " " and resid 1691 and name HA )) (( segid " " and resid 1691 and name H )) 2.800 1.000 1.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.29934E-02 ppm1 4.393 ppm2 8.510 CV 1 ASSI { 1849} (( segid " " and resid 1691 and name HG2 )) (( segid " " and resid 1691 and name H )) 2.900 1.100 1.100 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.15103E-02 ppm1 2.230 ppm2 8.522 CV 1 ASSI { 1850} (( segid " " and resid 1740 and name HB3 )) (( segid " " and resid 1741 and name H )) 3.700 1.700 1.700 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.15814E-02 ppm1 1.894 ppm2 7.422 CV 1 ASSI { 1851} (( segid " " and resid 1740 and name HB3 )) (( segid " " and resid 1740 and name HA )) 2.400 0.700 0.700 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.56618E-02 ppm1 1.891 ppm2 4.366 CV 1 ASSI { 1854} (( segid " " and resid 1691 and name HG3 )) (( segid " " and resid 1691 and name HA )) 3.600 1.600 1.600 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 2.319 ppm2 4.397 CV 1 ASSI { 1855} (( segid " " and resid 1691 and name HB3 )) (( segid " " and resid 1690 and name HA )) 4.200 2.200 1.800 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.10599E-02 ppm1 1.898 ppm2 4.290 CV 1 ASSI { 1856} (( segid " " and resid 1691 and name HA )) (( segid " " and resid 1690 and name HA )) 3.700 1.700 1.700 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.13173E-02 ppm1 4.401 ppm2 4.295 CV 1 ASSI { 1857} (( segid " " and resid 1740 and name HB3 )) (( segid " " and resid 1740 and name HD2 )) 3.700 1.700 1.700 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.16389E-02 ppm1 1.890 ppm2 3.940 CV 1 ASSI { 1859} (( segid " " and resid 1781 and name HG2 )) (( segid " " and resid 1781 and name HA )) 2.400 0.700 0.700 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.72972E-02 ppm1 2.321 ppm2 4.075 CV 1 ASSI { 1860} (( segid " " and resid 1691 and name HA )) (( segid " " and resid 1691 and name HG2 )) 3.100 1.200 1.200 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.29156E-02 ppm1 4.396 ppm2 2.235 CV 1 ASSI { 1861} (( segid " " and resid 1691 and name HA )) (( segid " " and resid 1691 and name HB2 )) 2.800 1.000 1.000 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.44529E-02 ppm1 4.396 ppm2 2.060 CV 1 ASSI { 1862} (( segid " " and resid 1740 and name HB3 )) (( segid " " and resid 1740 and name HB2 )) 1.800 0.400 0.400 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.14917E-01 ppm1 1.890 ppm2 2.381 CV 1 ASSI { 1865} (( segid " " and resid 1691 and name HB2 )) (( segid " " and resid 1691 and name HG2 )) 2.500 0.800 0.800 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.54350E-02 ppm1 2.058 ppm2 2.233 CV 1 ASSI { 1866} (( segid " " and resid 1691 and name HB2 )) (( segid " " and resid 1691 and name HB3 )) 1.800 0.400 0.400 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.13955E-01 ppm1 2.056 ppm2 1.905 CV 1 ASSI { 1867} (( segid " " and resid 1691 and name HG2 )) (( segid " " and resid 1691 and name HB3 )) 2.700 0.900 0.900 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.46460E-02 ppm1 2.234 ppm2 1.905 CV 1 ASSI { 1869} (( segid " " and resid 1691 and name HG2 )) (( segid " " and resid 1691 and name HG3 )) 1.500 0.300 0.700 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.52934E-01 ppm1 2.234 ppm2 2.320 CV 1 ASSI { 1871} (( segid " " and resid 1691 and name HG3 )) (( segid " " and resid 1691 and name HB2 )) 2.400 0.700 0.700 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.70910E-02 ppm1 2.323 ppm2 2.067 CV 1 ASSI { 1872} (( segid " " and resid 1691 and name HG3 )) (( segid " " and resid 1691 and name HB3 )) 2.600 0.800 0.800 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.40330E-02 ppm1 2.321 ppm2 1.906 CV 1 ASSI { 1873} (( segid " " and resid 1691 and name HA )) (( segid " " and resid 1691 and name HB3 )) 2.700 0.900 0.900 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.33761E-02 ppm1 4.397 ppm2 1.905 CV 1 ASSI { 1875} ( segid " " and resid 1693 and name HD1%) (( segid " " and resid 1694 and name H )) 3.900 1.900 1.900 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.95494E-03 ppm1 0.826 ppm2 8.311 CV 1 ASSI { 1876} (( segid " " and resid 1693 and name HG12)) (( segid " " and resid 1694 and name H )) 4.000 2.000 2.000 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.15340E-02 ppm1 1.520 ppm2 8.313 CV 1 ASSI { 1879} (( segid " " and resid 1693 and name HG13)) (( segid " " and resid 1698 and name H )) 4.200 2.300 1.800 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.38265E-03 ppm1 1.265 ppm2 7.821 CV 1 ASSI { 1880} ( segid " " and resid 1693 and name HG2%) (( segid " " and resid 1698 and name H )) 4.200 2.300 1.800 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.51471E-03 ppm1 0.785 ppm2 7.815 CV 1 ASSI { 1882} ( segid " " and resid 1693 and name HD1%) (( segid " " and resid 1693 and name H )) 5.200 3.300 0.800 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.26074E-03 ppm1 0.828 ppm2 7.382 CV 1 ASSI { 1886} ( segid " " and resid 1693 and name HD1%) (( segid " " and resid 1701 and name HE22)) 3.200 1.300 1.300 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.14696E-02 ppm1 0.829 ppm2 6.529 CV 1 ASSI { 1889} ( segid " " and resid 1693 and name HD1%) (( segid " " and resid 1693 and name HA )) 2.900 1.100 1.100 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.22383E-02 ppm1 0.829 ppm2 4.429 CV 1 ASSI { 1891} (( segid " " and resid 1693 and name HG13)) (( segid " " and resid 1698 and name HA )) 4.300 2.300 1.700 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.43006E-03 ppm1 1.257 ppm2 4.076 CV 1 ASSI { 1892} (( segid " " and resid 1693 and name HG13)) (( segid " " and resid 1694 and name HB3 )) 4.600 2.700 1.400 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.45038E-03 ppm1 1.273 ppm2 4.033 CV 1 ASSI { 1893} (( segid " " and resid 1693 and name HA )) (( segid " " and resid 1694 and name HB3 )) 4.800 2.800 1.200 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.44360E-03 ppm1 4.429 ppm2 4.019 CV 1 ASSI { 1894} ( segid " " and resid 1693 and name HG2%) (( segid " " and resid 1751 and name HE2 )) 3.200 1.300 1.300 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.15441E-02 ppm1 0.789 ppm2 3.046 CV 1 OR { 1894} ( segid " " and resid 1693 and name HG2%) (( segid " " and resid 1751 and name HE3 )) ASSI { 1897} (( segid " " and resid 1693 and name HG13)) (( segid " " and resid 1693 and name HB )) 2.900 1.000 1.000 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.29596E-02 ppm1 1.276 ppm2 1.740 CV 1 ASSI { 1899} ( segid " " and resid 1693 and name HG2%) (( segid " " and resid 1693 and name HG12)) 2.400 0.700 0.700 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.50083E-02 ppm1 0.788 ppm2 1.516 CV 1 ASSI { 1900} ( segid " " and resid 1693 and name HG2%) (( segid " " and resid 1693 and name HG13)) 2.500 0.800 0.800 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.60106E-02 ppm1 0.789 ppm2 1.277 CV 1 ASSI { 1901} ( segid " " and resid 1693 and name HD1%) (( segid " " and resid 1693 and name HG13)) 2.300 0.700 0.700 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.70263E-02 ppm1 0.830 ppm2 1.275 CV 1 ASSI { 1902} (( segid " " and resid 1693 and name HG12)) (( segid " " and resid 1693 and name HG13)) 1.800 0.400 0.400 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.98067E-02 ppm1 1.522 ppm2 1.276 CV 1 ASSI { 1904} (( segid " " and resid 1693 and name HB )) (( segid " " and resid 1693 and name HG12)) 2.600 0.800 0.800 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.36741E-02 ppm1 1.748 ppm2 1.519 CV 1 ASSI { 1906} ( segid " " and resid 1693 and name HD1%) (( segid " " and resid 1693 and name HB )) 2.400 0.700 0.700 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.74428E-02 ppm1 0.830 ppm2 1.745 CV 1 ASSI { 1908} (( segid " " and resid 1693 and name HB )) ( segid " " and resid 1693 and name HG2%) 2.300 0.700 0.700 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.73890E-02 ppm1 1.746 ppm2 0.796 CV 1 ASSI { 1909} (( segid " " and resid 1693 and name HB )) ( segid " " and resid 1698 and name HD2%) 4.500 2.500 1.500 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.54857E-03 ppm1 1.746 ppm2 0.987 CV 1 ASSI { 1910} (( segid " " and resid 1693 and name HB )) ( segid " " and resid 1698 and name HD1%) 4.900 3.100 1.100 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.40635E-03 ppm1 1.741 ppm2 0.632 CV 1 ASSI { 1911} (( segid " " and resid 1693 and name HG12)) ( segid " " and resid 1693 and name HD1%) 2.300 0.700 0.700 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.70910E-02 ppm1 1.520 ppm2 0.830 CV 1 ASSI { 1915} ( segid " " and resid 1693 and name HG2%) ( segid " " and resid 1698 and name HD2%) 2.800 1.000 1.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.24753E-02 ppm1 0.794 ppm2 0.993 CV 1 ASSI { 1916} (( segid " " and resid 1692 and name HA3 )) (( segid " " and resid 1693 and name H )) 3.400 1.500 1.500 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.97862E-03 ppm1 4.105 ppm2 7.392 CV 1 OR { 1916} (( segid " " and resid 1692 and name HA2 )) (( segid " " and resid 1693 and name H )) ASSI { 1917} (( segid " " and resid 1694 and name HB3 )) (( segid " " and resid 1696 and name H )) 3.800 1.800 1.800 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.59937E-03 ppm1 4.022 ppm2 8.911 CV 1 ASSI { 1921} (( segid " " and resid 1694 and name HB2 )) (( segid " " and resid 1694 and name H )) 3.200 1.200 1.200 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 4.362 ppm2 8.315 CV 1 ASSI { 1922} (( segid " " and resid 1694 and name HB2 )) (( segid " " and resid 1697 and name H )) 3.600 1.600 1.600 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.62308E-03 ppm1 4.363 ppm2 7.950 CV 1 ASSI { 1923} (( segid " " and resid 1694 and name HB3 )) (( segid " " and resid 1697 and name H )) 4.100 2.100 1.900 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.33524E-03 ppm1 4.019 ppm2 7.942 CV 1 ASSI { 1925} (( segid " " and resid 1694 and name HB3 )) (( segid " " and resid 1694 and name HB2 )) 1.900 0.500 0.500 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.11070E-01 ppm1 4.021 ppm2 4.362 CV 1 ASSI { 1928} (( segid " " and resid 1694 and name HA )) (( segid " " and resid 1751 and name HE3 )) 3.800 1.800 1.800 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.11818E-02 ppm1 4.521 ppm2 3.053 CV 1 ASSI { 1929} (( segid " " and resid 1694 and name HB2 )) ( segid " " and resid 1697 and name HB% ) 3.600 1.600 1.600 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.76871E-03 ppm1 4.362 ppm2 1.513 CV 1 ASSI { 1931} (( segid " " and resid 1694 and name HB3 )) ( segid " " and resid 1697 and name HB% ) 3.600 1.600 1.600 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 4.022 ppm2 1.512 CV 1 ASSI { 1933} (( segid " " and resid 1696 and name HA )) (( segid " " and resid 1699 and name H )) 3.100 1.200 1.200 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.14290E-02 ppm1 4.106 ppm2 8.648 CV 1 ASSI { 1936} (( segid " " and resid 1696 and name HA )) (( segid " " and resid 1700 and name H )) 3.600 1.600 1.600 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.97189E-03 ppm1 4.110 ppm2 8.312 CV 1 ASSI { 1938} (( segid " " and resid 1696 and name HA )) (( segid " " and resid 1697 and name H )) 3.300 1.400 1.400 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.12224E-02 ppm1 4.104 ppm2 7.950 CV 1 ASSI { 1940} (( segid " " and resid 1695 and name HB3 )) (( segid " " and resid 1695 and name HA )) 3.000 1.100 1.100 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.26142E-02 ppm1 1.989 ppm2 3.956 CV 1 ASSI { 1941} (( segid " " and resid 1714 and name HG3 )) (( segid " " and resid 1714 and name HA )) 3.200 1.300 1.300 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.24280E-02 ppm1 2.371 ppm2 4.326 CV 1 ASSI { 1942} (( segid " " and resid 1696 and name HA )) (( segid " " and resid 1699 and name HB2 )) 3.000 1.200 1.200 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.24856E-02 ppm1 4.109 ppm2 3.330 CV 1 ASSI { 1943} (( segid " " and resid 1696 and name HA )) (( segid " " and resid 1699 and name HB3 )) 3.000 1.100 1.100 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.18184E-02 ppm1 4.106 ppm2 3.200 CV 1 ASSI { 1945} (( segid " " and resid 1696 and name HA )) (( segid " " and resid 1696 and name HB2 )) 2.600 0.900 0.900 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.61630E-02 ppm1 4.106 ppm2 2.098 CV 1 ASSI { 1946} (( segid " " and resid 1696 and name HA )) (( segid " " and resid 1696 and name HB3 )) 2.500 0.800 0.800 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.47001E-02 ppm1 4.108 ppm2 1.992 CV 1 ASSI { 1948} (( segid " " and resid 1696 and name HG2 )) (( segid " " and resid 1696 and name HB3 )) 2.500 0.800 0.800 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.53266E-02 ppm1 2.363 ppm2 1.992 CV 1 ASSI { 1950} (( segid " " and resid 1697 and name HA )) (( segid " " and resid 1697 and name H )) 2.700 0.900 0.900 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.36944E-02 ppm1 4.177 ppm2 7.951 CV 1 ASSI { 1951} ( segid " " and resid 1697 and name HB% ) (( segid " " and resid 1698 and name H )) 2.700 0.900 0.900 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.39619E-02 ppm1 1.507 ppm2 7.826 CV 1 ASSI { 1952} (( segid " " and resid 1697 and name HA )) (( segid " " and resid 1698 and name H )) 3.400 1.400 1.400 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 4.180 ppm2 7.831 CV 1 ASSI { 1953} (( segid " " and resid 1790 and name HA )) (( segid " " and resid 1793 and name HB2 )) 2.900 1.100 1.100 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.22011E-02 ppm1 4.185 ppm2 2.159 CV 1 ASSI { 1955} (( segid " " and resid 1790 and name HA )) (( segid " " and resid 1793 and name HG2 )) 3.100 1.200 1.200 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.21537E-02 ppm1 4.179 ppm2 2.391 CV 1 ASSI { 1956} (( segid " " and resid 1697 and name HA )) ( segid " " and resid 1700 and name HG2%) 3.800 1.900 1.900 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 4.179 ppm2 1.279 CV 1 ASSI { 1958} (( segid " " and resid 1743 and name HA )) (( segid " " and resid 1743 and name H )) 2.500 0.800 0.800 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.47171E-02 ppm1 4.085 ppm2 8.211 CV 1 ASSI { 1959} (( segid " " and resid 1743 and name HA )) (( segid " " and resid 1744 and name H )) 3.000 1.100 1.100 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.25024E-02 ppm1 4.083 ppm2 8.092 CV 1 ASSI { 1960} (( segid " " and resid 1814 and name HB3 )) (( segid " " and resid 1814 and name H )) 3.500 1.500 1.500 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.28140E-02 ppm1 1.957 ppm2 8.474 CV 1 ASSI { 1961} (( segid " " and resid 1698 and name HA )) (( segid " " and resid 1699 and name H )) 3.500 1.500 1.500 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.88717E-03 ppm1 4.069 ppm2 8.646 CV 1 ASSI { 1962} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1698 and name H )) 3.700 1.700 1.700 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.18320E-02 ppm1 0.622 ppm2 7.827 CV 1 ASSI { 1964} (( segid " " and resid 1698 and name HA )) (( segid " " and resid 1698 and name H )) 2.800 1.000 1.000 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.23264E-02 ppm1 4.065 ppm2 7.828 CV 1 ASSI { 1966} ( segid " " and resid 1698 and name HD2%) (( segid " " and resid 1698 and name H )) 3.500 1.500 1.500 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.22485E-02 ppm1 0.987 ppm2 7.827 CV 1 ASSI { 1967} (( segid " " and resid 1736 and name HA )) (( segid " " and resid 1738 and name H )) 3.600 1.600 1.600 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.74836E-03 ppm1 4.078 ppm2 7.616 CV 1 ASSI { 1969} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1744 and name HA )) 4.000 2.000 2.000 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.86689E-03 ppm1 0.619 ppm2 4.204 CV 1 ASSI { 1970} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1747 and name HA3 )) 2.800 1.000 1.000 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.22959E-02 ppm1 0.620 ppm2 3.734 CV 1 ASSI { 1971} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1695 and name HA )) 2.600 0.800 0.800 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.37385E-02 ppm1 0.621 ppm2 3.958 CV 1 ASSI { 1972} (( segid " " and resid 1814 and name HB3 )) (( segid " " and resid 1814 and name HA )) 2.500 0.800 0.800 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.33253E-02 ppm1 1.958 ppm2 3.936 CV 1 ASSI { 1973} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1751 and name HE2 )) 3.200 1.300 1.300 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.21604E-02 ppm1 0.620 ppm2 3.048 CV 1 OR { 1973} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1751 and name HE3 )) ASSI { 1974} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1698 and name HB2 )) 2.500 0.800 0.800 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.41008E-02 ppm1 0.623 ppm2 1.927 CV 1 ASSI { 1975} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1698 and name HG )) 2.200 0.600 0.600 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.83233E-02 ppm1 0.621 ppm2 1.719 CV 1 ASSI { 1976} ( segid " " and resid 1698 and name HD2%) (( segid " " and resid 1698 and name HG )) 2.100 0.500 0.500 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.12292E-01 ppm1 0.988 ppm2 1.725 CV 1 ASSI { 1977} (( segid " " and resid 1736 and name HA )) (( segid " " and resid 1736 and name HB2 )) 2.300 0.700 0.700 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.64035E-02 ppm1 4.081 ppm2 1.918 CV 1 ASSI { 1978} (( segid " " and resid 1736 and name HA )) (( segid " " and resid 1736 and name HB3 )) 2.600 0.800 0.800 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.83165E-02 ppm1 4.082 ppm2 1.783 CV 1 ASSI { 1979} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1751 and name HG2 )) 2.700 0.900 0.900 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.44733E-02 ppm1 0.622 ppm2 1.571 CV 1 OR { 1979} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1751 and name HD2 )) ASSI { 1980} ( segid " " and resid 1698 and name HD1%) ( segid " " and resid 1748 and name HB% ) 2.400 0.700 0.700 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.59158E-02 ppm1 0.623 ppm2 1.437 CV 1 ASSI { 1981} (( segid " " and resid 1698 and name HG )) (( segid " " and resid 1698 and name HB3 )) 3.500 1.600 1.600 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 1.732 ppm2 1.431 CV 1 ASSI { 1983} (( segid " " and resid 1814 and name HB3 )) (( segid " " and resid 1814 and name HB2 )) 1.900 0.400 0.400 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.68637E-02 ppm1 1.962 ppm2 1.334 CV 1 ASSI { 1984} (( segid " " and resid 1736 and name HA )) ( segid " " and resid 1735 and name HB% ) 3.000 1.100 1.100 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.28648E-02 ppm1 4.074 ppm2 1.435 CV 1 ASSI { 1985} (( segid " " and resid 1698 and name HA )) (( segid " " and resid 1698 and name HB3 )) 2.600 0.800 0.800 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.30578E-02 ppm1 4.066 ppm2 1.423 CV 1 ASSI { 1987} (( segid " " and resid 1743 and name HA )) (( segid " " and resid 1743 and name HB3 )) 2.300 0.700 0.700 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.63966E-02 ppm1 4.083 ppm2 1.591 CV 1 ASSI { 1990} (( segid " " and resid 1698 and name HB3 )) ( segid " " and resid 1698 and name HD2%) 2.700 0.900 0.900 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.27496E-02 ppm1 1.411 ppm2 0.983 CV 1 ASSI { 1992} (( segid " " and resid 1743 and name HA )) ( segid " " and resid 1743 and name HD1%) 2.500 0.800 0.800 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.81572E-02 ppm1 4.084 ppm2 0.908 CV 1 OR { 1992} (( segid " " and resid 1743 and name HA )) ( segid " " and resid 1743 and name HD2%) ASSI { 1993} (( segid " " and resid 1762 and name HB3 )) ( segid " " and resid 1762 and name HD2%) 2.400 0.700 0.700 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.40500E-02 ppm1 1.394 ppm2 0.772 CV 1 ASSI { 1995} (( segid " " and resid 1698 and name HA )) ( segid " " and resid 1698 and name HD1%) 4.100 2.100 1.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 4.062 ppm2 0.623 CV 1 ASSI { 2006} (( segid " " and resid 1699 and name HB3 )) (( segid " " and resid 1699 and name HB2 )) 2.100 0.500 0.500 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.70127E-02 ppm1 3.202 ppm2 3.332 CV 1 ASSI { 2007} (( segid " " and resid 1699 and name HA )) (( segid " " and resid 1699 and name HB3 )) 3.000 1.100 1.100 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.30375E-02 ppm1 4.216 ppm2 3.204 CV 1 ASSI { 2010} (( segid " " and resid 1700 and name HA )) (( segid " " and resid 1704 and name H )) 3.600 1.600 1.600 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.79239E-03 ppm1 3.993 ppm2 8.391 CV 1 ASSI { 2011} (( segid " " and resid 1700 and name HA )) (( segid " " and resid 1700 and name H )) 2.600 0.900 0.900 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.43717E-02 ppm1 3.990 ppm2 8.311 CV 1 ASSI { 2014} ( segid " " and resid 1704 and name HG2%) (( segid " " and resid 1705 and name H )) 3.200 1.300 1.300 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.23569E-02 ppm1 1.279 ppm2 7.457 CV 1 ASSI { 2016} (( segid " " and resid 1700 and name HB )) (( segid " " and resid 1697 and name HA )) 2.800 1.000 1.000 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.27564E-02 ppm1 4.329 ppm2 4.178 CV 1 ASSI { 2017} (( segid " " and resid 1700 and name HB )) (( segid " " and resid 1700 and name HA )) 3.000 1.100 1.100 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.24787E-02 ppm1 4.327 ppm2 3.996 CV 1 ASSI { 2018} ( segid " " and resid 1700 and name HG2%) (( segid " " and resid 1700 and name H )) 3.200 1.300 1.300 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.49033E-02 ppm1 1.281 ppm2 8.309 CV 1 ASSI { 2019} ( segid " " and resid 1812 and name HG2%) (( segid " " and resid 1812 and name H )) 3.700 1.700 1.700 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.23602E-02 ppm1 1.267 ppm2 8.210 CV 1 ASSI { 2020} ( segid " " and resid 1812 and name HG2%) (( segid " " and resid 1812 and name HB )) 2.200 0.600 0.600 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.13095E-01 ppm1 1.264 ppm2 4.490 CV 1 ASSI { 2021} ( segid " " and resid 1700 and name HG2%) (( segid " " and resid 1700 and name HB )) 2.200 0.600 0.600 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.12990E-01 ppm1 1.280 ppm2 4.329 CV 1 ASSI { 2022} ( segid " " and resid 1812 and name HG2%) (( segid " " and resid 1812 and name HA )) 2.000 0.500 0.500 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.22302E-01 ppm1 1.270 ppm2 3.976 CV 1 ASSI { 2023} (( segid " " and resid 1700 and name HA )) (( segid " " and resid 1699 and name HB3 )) 4.600 2.600 1.400 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.20318E-03 ppm1 3.992 ppm2 3.209 CV 1 ASSI { 2024} (( segid " " and resid 1700 and name HA )) (( segid " " and resid 1703 and name HB3 )) 2.700 0.900 0.900 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.25465E-02 ppm1 3.989 ppm2 1.783 CV 1 ASSI { 2025} (( segid " " and resid 1700 and name HA )) (( segid " " and resid 1703 and name HB2 )) 3.600 1.600 1.600 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.19370E-02 ppm1 3.990 ppm2 1.612 CV 1 ASSI { 2026} (( segid " " and resid 1700 and name HA )) ( segid " " and resid 1700 and name HG2%) 2.500 0.800 0.800 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.65220E-02 ppm1 3.986 ppm2 1.280 CV 1 ASSI { 2028} (( segid " " and resid 1700 and name HB )) ( segid " " and resid 1697 and name HB% ) 3.800 1.800 1.800 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.94474E-03 ppm1 4.329 ppm2 1.513 CV 1 ASSI { 2029} (( segid " " and resid 1700 and name HA )) ( segid " " and resid 1703 and name HD1%) 3.300 1.300 1.300 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.17134E-02 ppm1 3.988 ppm2 0.895 CV 1 ASSI { 2030} (( segid " " and resid 1703 and name HA )) (( segid " " and resid 1703 and name H )) 2.500 0.800 0.800 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.47509E-02 ppm1 3.839 ppm2 8.483 CV 1 ASSI { 2031} (( segid " " and resid 1703 and name HA )) (( segid " " and resid 1704 and name H )) 3.500 1.500 1.500 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.86689E-03 ppm1 3.836 ppm2 8.399 CV 1 ASSI { 2032} (( segid " " and resid 1703 and name HA )) (( segid " " and resid 1707 and name H )) 3.400 1.400 1.400 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.10735E-02 ppm1 3.839 ppm2 8.244 CV 1 ASSI { 2033} (( segid " " and resid 1703 and name HB2 )) (( segid " " and resid 1704 and name H )) 4.000 2.000 2.000 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 1.613 ppm2 8.393 CV 1 ASSI { 2034} (( segid " " and resid 1703 and name HB3 )) (( segid " " and resid 1703 and name H )) 2.500 0.800 0.800 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.38942E-02 ppm1 1.783 ppm2 8.480 CV 1 ASSI { 2035} (( segid " " and resid 1703 and name HB3 )) (( segid " " and resid 1704 and name H )) 2.700 0.900 0.900 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.22891E-02 ppm1 1.780 ppm2 8.395 CV 1 ASSI { 2036} (( segid " " and resid 1773 and name HB2 )) (( segid " " and resid 1773 and name H )) 2.200 0.600 0.600 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.72870E-02 ppm1 1.754 ppm2 8.129 CV 1 OR { 2036} (( segid " " and resid 1773 and name HB3 )) (( segid " " and resid 1773 and name H )) ASSI { 2037} (( segid " " and resid 1743 and name HB3 )) (( segid " " and resid 1743 and name H )) 3.100 1.200 1.200 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.45986E-02 ppm1 1.579 ppm2 8.194 CV 1 ASSI { 2040} (( segid " " and resid 1703 and name HB3 )) (( segid " " and resid 1703 and name HA )) 3.000 1.100 1.100 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.29528E-02 ppm1 1.784 ppm2 3.840 CV 1 ASSI { 2042} (( segid " " and resid 1703 and name HA )) (( segid " " and resid 1703 and name HB2 )) 2.400 0.700 0.700 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.45004E-02 ppm1 3.838 ppm2 1.611 CV 1 ASSI { 2044} (( segid " " and resid 1703 and name HA )) (( segid " " and resid 1706 and name HB )) 2.500 0.800 0.800 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.38874E-02 ppm1 3.838 ppm2 2.085 CV 1 ASSI { 2045} (( segid " " and resid 1703 and name HB3 )) (( segid " " and resid 1703 and name HB2 )) 1.700 0.400 0.500 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.15337E-01 ppm1 1.785 ppm2 1.617 CV 1 ASSI { 2046} (( segid " " and resid 1703 and name HA )) ( segid " " and resid 1814 and name HD1%) 2.500 0.800 0.800 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.39078E-02 ppm1 3.839 ppm2 0.751 CV 1 ASSI { 2049} (( segid " " and resid 1703 and name HB2 )) ( segid " " and resid 1814 and name HD1%) 3.100 1.200 1.200 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.13478E-02 ppm1 1.607 ppm2 0.752 CV 1 ASSI { 2051} (( segid " " and resid 1773 and name HB3 )) ( segid " " and resid 1773 and name HD2%) 2.500 0.800 0.800 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.48085E-02 ppm1 1.755 ppm2 0.834 CV 1 OR { 2051} (( segid " " and resid 1773 and name HB2 )) ( segid " " and resid 1773 and name HD2%) ASSI { 2052} (( segid " " and resid 1703 and name HB3 )) ( segid " " and resid 1814 and name HD1%) 4.200 2.200 1.800 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.82287E-03 ppm1 1.789 ppm2 0.749 CV 1 ASSI { 2053} ( segid " " and resid 1703 and name HD1%) (( segid " " and resid 1703 and name HB2 )) 2.900 1.000 1.000 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.67556E-02 ppm1 0.904 ppm2 1.607 CV 1 ASSI { 2054} ( segid " " and resid 1703 and name HD1%) (( segid " " and resid 1703 and name HG )) 2.200 0.600 0.600 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.10112E-01 ppm1 0.903 ppm2 1.551 CV 1 ASSI { 2055} ( segid " " and resid 1703 and name HD1%) (( segid " " and resid 1703 and name HB3 )) 2.200 0.600 0.600 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.84417E-02 ppm1 0.903 ppm2 1.784 CV 1 ASSI { 2057} ( segid " " and resid 1703 and name HD1%) (( segid " " and resid 1703 and name HA )) 2.800 1.000 1.000 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.50489E-02 ppm1 0.901 ppm2 3.843 CV 1 ASSI { 2058} ( segid " " and resid 1703 and name HD1%) (( segid " " and resid 1703 and name H )) 3.800 1.800 1.800 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.19031E-02 ppm1 0.903 ppm2 8.484 CV 1 ASSI { 2059} (( segid " " and resid 1704 and name HA )) (( segid " " and resid 1704 and name H )) 2.700 0.900 0.900 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.33490E-02 ppm1 3.887 ppm2 8.396 CV 1 ASSI { 2061} ( segid " " and resid 1704 and name HG2%) (( segid " " and resid 1704 and name HA )) 2.300 0.700 0.700 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.94780E-02 ppm1 1.284 ppm2 3.891 CV 1 ASSI { 2064} (( segid " " and resid 1813 and name HA )) (( segid " " and resid 1813 and name HB )) 3.000 1.100 1.100 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.20182E-02 ppm1 3.869 ppm2 4.398 CV 1 ASSI { 2065} (( segid " " and resid 1704 and name HB )) (( segid " " and resid 1701 and name HA )) 2.900 1.100 1.100 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.19877E-02 ppm1 4.211 ppm2 4.058 CV 1 ASSI { 2066} (( segid " " and resid 1704 and name HA )) (( segid " " and resid 1707 and name HB3 )) 3.600 1.600 1.600 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.28377E-02 ppm1 3.887 ppm2 2.244 CV 1 ASSI { 2067} (( segid " " and resid 1813 and name HA )) (( segid " " and resid 1816 and name HB2 )) 2.700 0.900 0.900 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.22790E-02 ppm1 3.868 ppm2 2.117 CV 1 ASSI { 2068} (( segid " " and resid 1792 and name HB )) ( segid " " and resid 1782 and name HB% ) 3.300 1.400 1.400 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.20826E-02 ppm1 4.209 ppm2 1.508 CV 1 ASSI { 2070} (( segid " " and resid 1792 and name HB )) ( segid " " and resid 1792 and name HG2%) 2.300 0.700 0.700 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.60343E-02 ppm1 4.210 ppm2 1.216 CV 1 ASSI { 2072} (( segid " " and resid 1705 and name HA )) (( segid " " and resid 1705 and name H )) 2.700 0.900 0.900 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.34845E-02 ppm1 3.946 ppm2 7.457 CV 1 ASSI { 2073} ( segid " " and resid 1705 and name HB% ) (( segid " " and resid 1737 and name HB2 )) 4.100 2.100 1.900 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.18252E-02 ppm1 1.575 ppm2 3.102 CV 1 ASSI { 2074} ( segid " " and resid 1744 and name HB% ) (( segid " " and resid 1701 and name HB3 )) 2.200 0.600 0.600 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.81137E-02 ppm1 1.574 ppm2 2.046 CV 1 ASSI { 2077} ( segid " " and resid 1806 and name HB% ) ( segid " " and resid 1767 and name HG2%) 2.400 0.700 0.700 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.68603E-02 ppm1 1.597 ppm2 1.315 CV 1 ASSI { 2078} ( segid " " and resid 1706 and name HG1%) (( segid " " and resid 1811 and name H )) 2.600 0.900 0.900 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.39382E-02 ppm1 0.907 ppm2 8.481 CV 1 ASSI { 2079} ( segid " " and resid 1706 and name HG2%) (( segid " " and resid 1706 and name H )) 2.100 0.600 0.600 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.12079E-01 ppm1 0.980 ppm2 8.490 CV 1 ASSI { 2081} (( segid " " and resid 1706 and name HA )) (( segid " " and resid 1706 and name H )) 2.600 0.900 0.900 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.30748E-02 ppm1 3.336 ppm2 8.488 CV 1 ASSI { 2082} ( segid " " and resid 1706 and name HG2%) (( segid " " and resid 1707 and name H )) 3.700 1.700 1.700 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.13816E-02 ppm1 0.982 ppm2 8.245 CV 1 ASSI { 2083} ( segid " " and resid 1706 and name HG1%) (( segid " " and resid 1707 and name H )) 3.000 1.100 1.100 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.23873E-02 ppm1 0.910 ppm2 8.239 CV 1 ASSI { 2085} (( segid " " and resid 1706 and name HA )) (( segid " " and resid 1709 and name H )) 3.500 1.600 1.600 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.14087E-02 ppm1 3.335 ppm2 8.026 CV 1 ASSI { 2086} ( segid " " and resid 1706 and name HG2%) (( segid " " and resid 1703 and name HA )) 2.600 0.900 0.900 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.53130E-02 ppm1 0.980 ppm2 3.840 CV 1 ASSI { 2088} ( segid " " and resid 1706 and name HG1%) (( segid " " and resid 1703 and name HA )) 3.100 1.200 1.200 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.25024E-02 ppm1 0.906 ppm2 3.832 CV 1 ASSI { 2090} ( segid " " and resid 1706 and name HG2%) (( segid " " and resid 1706 and name HA )) 2.200 0.600 0.600 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.81137E-02 ppm1 0.982 ppm2 3.337 CV 1 ASSI { 2091} ( segid " " and resid 1706 and name HG1%) (( segid " " and resid 1706 and name HA )) 2.400 0.700 0.700 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.54655E-02 ppm1 0.910 ppm2 3.336 CV 1 ASSI { 2092} ( segid " " and resid 1706 and name HG1%) (( segid " " and resid 1706 and name HB )) 2.200 0.600 0.600 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.93358E-02 ppm1 0.910 ppm2 2.084 CV 1 ASSI { 2093} ( segid " " and resid 1706 and name HG2%) (( segid " " and resid 1706 and name HB )) 2.100 0.600 0.600 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.11354E-01 ppm1 0.978 ppm2 2.083 CV 1 ASSI { 2094} (( segid " " and resid 1706 and name HA )) (( segid " " and resid 1706 and name HB )) 2.800 1.000 1.000 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.23297E-02 ppm1 3.336 ppm2 2.081 CV 1 ASSI { 2095} (( segid " " and resid 1706 and name HA )) (( segid " " and resid 1709 and name HB )) 2.800 1.000 1.000 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.32745E-02 ppm1 3.336 ppm2 1.809 CV 1 ASSI { 2096} ( segid " " and resid 1706 and name HG1%) (( segid " " and resid 1810 and name HB3 )) 2.800 1.000 1.000 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.20521E-02 ppm1 0.911 ppm2 1.805 CV 1 ASSI { 2097} ( segid " " and resid 1753 and name HD2%) (( segid " " and resid 1753 and name HB3 )) 2.300 0.600 0.600 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.10823E-01 ppm1 0.982 ppm2 1.671 CV 1 ASSI { 2103} (( segid " " and resid 1706 and name HA )) (( segid " " and resid 1709 and name HG12)) 3.900 1.900 1.900 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.17304E-02 ppm1 3.338 ppm2 0.810 CV 1 OR { 2103} (( segid " " and resid 1706 and name HA )) ( segid " " and resid 1709 and name HG2%) ASSI { 2104} (( segid " " and resid 1706 and name HA )) ( segid " " and resid 1709 and name HD1%) 2.600 0.800 0.800 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.26616E-02 ppm1 3.340 ppm2 0.258 CV 1 ASSI { 2105} ( segid " " and resid 1706 and name HG2%) ( segid " " and resid 1709 and name HD1%) 3.500 1.600 1.600 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.12766E-02 ppm1 0.976 ppm2 0.261 CV 1 ASSI { 2106} (( segid " " and resid 1707 and name HA )) (( segid " " and resid 1710 and name H )) 3.000 1.100 1.100 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.18049E-02 ppm1 3.785 ppm2 8.473 CV 1 ASSI { 2107} (( segid " " and resid 1707 and name HA )) (( segid " " and resid 1707 and name H )) 2.700 0.900 0.900 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.33186E-02 ppm1 3.784 ppm2 8.243 CV 1 ASSI { 2108} (( segid " " and resid 1793 and name HB3 )) (( segid " " and resid 1794 and name H )) 3.500 1.500 1.500 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 2.244 ppm2 8.452 CV 1 ASSI { 2109} (( segid " " and resid 1707 and name HG3 )) (( segid " " and resid 1707 and name H )) 2.500 0.800 0.800 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.33660E-02 ppm1 2.241 ppm2 8.244 CV 1 ASSI { 2110} (( segid " " and resid 1707 and name HG2 )) (( segid " " and resid 1707 and name H )) 3.100 1.200 1.200 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.49846E-02 ppm1 2.465 ppm2 8.245 CV 1 ASSI { 2111} (( segid " " and resid 1733 and name HG3 )) (( segid " " and resid 1733 and name H )) 2.400 0.700 0.700 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.35928E-02 ppm1 2.236 ppm2 8.004 CV 1 ASSI { 2112} (( segid " " and resid 1707 and name HB3 )) (( segid " " and resid 1708 and name H )) 3.600 1.600 1.600 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.15069E-02 ppm1 2.241 ppm2 7.746 CV 1 ASSI { 2113} (( segid " " and resid 1707 and name HA )) (( segid " " and resid 1708 and name H )) 3.400 1.400 1.400 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.10802E-02 ppm1 3.785 ppm2 7.749 CV 1 ASSI { 2114} (( segid " " and resid 1707 and name HG3 )) (( segid " " and resid 1708 and name H )) 4.000 2.000 2.000 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.11649E-02 ppm1 2.238 ppm2 7.748 CV 1 ASSI { 2115} (( segid " " and resid 1707 and name HG3 )) (( segid " " and resid 1707 and name HE21)) 2.500 0.800 0.800 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.31865E-02 ppm1 2.241 ppm2 7.241 CV 1 ASSI { 2116} (( segid " " and resid 1733 and name HG3 )) (( segid " " and resid 1733 and name HE22)) 3.700 1.700 1.700 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.20386E-02 ppm1 2.240 ppm2 6.778 CV 1 ASSI { 2117} (( segid " " and resid 1793 and name HB3 )) (( segid " " and resid 1790 and name HA )) 3.600 1.600 1.600 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.18184E-02 ppm1 2.243 ppm2 4.186 CV 1 ASSI { 2120} (( segid " " and resid 1707 and name HG3 )) (( segid " " and resid 1707 and name HA )) 3.000 1.100 1.100 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.42125E-02 ppm1 2.242 ppm2 3.785 CV 1 ASSI { 2121} (( segid " " and resid 1707 and name HG2 )) (( segid " " and resid 1707 and name HA )) 2.700 0.900 0.900 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.28411E-02 ppm1 2.469 ppm2 3.788 CV 1 ASSI { 2122} (( segid " " and resid 1707 and name HB3 )) (( segid " " and resid 1707 and name HA )) 2.800 0.900 0.900 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.26108E-02 ppm1 2.239 ppm2 3.784 CV 1 ASSI { 2123} (( segid " " and resid 1707 and name HA )) (( segid " " and resid 1710 and name HB3 )) 2.500 0.800 0.800 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.38705E-02 ppm1 3.785 ppm2 4.058 CV 1 ASSI { 2124} (( segid " " and resid 1707 and name HA )) (( segid " " and resid 1710 and name HB2 )) 3.300 1.300 1.300 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.20182E-02 ppm1 3.789 ppm2 4.005 CV 1 ASSI { 2126} (( segid " " and resid 1677 and name HB2 )) (( segid " " and resid 1677 and name HG2 )) 2.800 1.000 1.000 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.30443E-02 ppm1 2.261 ppm2 2.590 CV 1 ASSI { 2127} (( segid " " and resid 1677 and name HB3 )) (( segid " " and resid 1677 and name HG2 )) 3.000 1.100 1.100 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.31086E-02 ppm1 2.204 ppm2 2.589 CV 1 ASSI { 2128} (( segid " " and resid 1677 and name HB3 )) (( segid " " and resid 1677 and name HG3 )) 2.600 0.900 0.900 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.43615E-02 ppm1 2.207 ppm2 2.489 CV 1 ASSI { 2129} (( segid " " and resid 1793 and name HB3 )) (( segid " " and resid 1793 and name HG3 )) 2.400 0.700 0.700 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.79511E-02 ppm1 2.242 ppm2 2.396 CV 1 OR { 2129} (( segid " " and resid 1793 and name HB3 )) (( segid " " and resid 1793 and name HG2 )) ASSI { 2131} (( segid " " and resid 1707 and name HA )) (( segid " " and resid 1707 and name HB3 )) 2.500 0.800 0.800 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.66202E-02 ppm1 3.784 ppm2 2.242 CV 1 OR { 2131} (( segid " " and resid 1707 and name HA )) (( segid " " and resid 1707 and name HG3 )) ASSI { 2132} (( segid " " and resid 1707 and name HG3 )) (( segid " " and resid 1707 and name HG2 )) 1.800 0.400 0.400 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.12292E-01 ppm1 2.240 ppm2 2.464 CV 1 ASSI { 2133} (( segid " " and resid 1733 and name HG3 )) (( segid " " and resid 1733 and name HG2 )) 1.900 0.400 0.400 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.10209E-01 ppm1 2.242 ppm2 2.371 CV 1 ASSI { 2134} (( segid " " and resid 1707 and name HA )) (( segid " " and resid 1707 and name HB2 )) 2.900 1.000 1.000 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.42193E-02 ppm1 3.784 ppm2 1.866 CV 1 ASSI { 2135} (( segid " " and resid 1707 and name HB3 )) (( segid " " and resid 1707 and name HB2 )) 1.900 0.400 0.400 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.11181E-01 ppm1 2.241 ppm2 1.866 CV 1 ASSI { 2136} (( segid " " and resid 1707 and name HG3 )) (( segid " " and resid 1707 and name HB2 )) 2.100 0.600 0.600 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.85873E-02 ppm1 2.241 ppm2 1.866 CV 1 ASSI { 2137} (( segid " " and resid 1707 and name HG2 )) (( segid " " and resid 1707 and name HB2 )) 3.100 1.200 1.200 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.33355E-02 ppm1 2.468 ppm2 1.869 CV 1 ASSI { 2138} (( segid " " and resid 1733 and name HG3 )) (( segid " " and resid 1733 and name HB3 )) 2.500 0.800 0.800 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.89602E-02 ppm1 2.239 ppm2 2.063 CV 1 ASSI { 2139} (( segid " " and resid 1707 and name HG2 )) (( segid " " and resid 1707 and name HG3 )) 1.700 0.400 0.500 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.19956E-01 ppm1 2.468 ppm2 2.243 CV 1 OR { 2139} (( segid " " and resid 1707 and name HG2 )) (( segid " " and resid 1707 and name HB3 )) ASSI { 2140} (( segid " " and resid 1733 and name HG3 )) ( segid " " and resid 1712 and name HD2%) 3.300 1.400 1.400 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.36369E-02 ppm1 2.238 ppm2 0.997 CV 1 ASSI { 2141} (( segid " " and resid 1707 and name HG3 )) ( segid " " and resid 1703 and name HD2%) 2.700 0.900 0.900 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.21299E-02 ppm1 2.242 ppm2 0.900 CV 1 ASSI { 2142} (( segid " " and resid 1707 and name HG2 )) ( segid " " and resid 1703 and name HD2%) 3.100 1.200 1.200 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.38637E-02 ppm1 2.467 ppm2 0.893 CV 1 ASSI { 2143} (( segid " " and resid 1707 and name HA )) ( segid " " and resid 1706 and name HG1%) 2.900 1.100 1.100 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.22281E-02 ppm1 3.782 ppm2 0.908 CV 1 ASSI { 2144} (( segid " " and resid 1713 and name HG13)) ( segid " " and resid 1712 and name HD1%) 2.200 2.200 3.800 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.67759E-02 ppm1 2.277 ppm2 0.998 CV 1 ASSI { 2145} (( segid " " and resid 1709 and name HA )) (( segid " " and resid 1709 and name H )) 2.800 1.000 1.000 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.20216E-02 ppm1 3.430 ppm2 8.026 CV 1 ASSI { 2146} (( segid " " and resid 1709 and name HA )) (( segid " " and resid 1710 and name H )) 3.500 1.500 1.500 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.86349E-03 ppm1 3.431 ppm2 8.471 CV 1 ASSI { 2148} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1709 and name H )) 4.000 2.000 2.000 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.16728E-02 ppm1 0.257 ppm2 8.028 CV 1 ASSI { 2150} ( segid " " and resid 1709 and name HG2%) (( segid " " and resid 1709 and name H )) 3.600 1.600 1.600 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.21469E-02 ppm1 0.804 ppm2 8.027 CV 1 ASSI { 2151} ( segid " " and resid 1709 and name HG2%) (( segid " " and resid 1710 and name H )) 3.400 1.400 1.400 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.23026E-02 ppm1 0.806 ppm2 8.473 CV 1 ASSI { 2153} ( segid " " and resid 1709 and name HD1%) ( segid " " and resid 1738 and name HD% ) 3.300 1.400 1.400 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.12631E-02 ppm1 0.261 ppm2 7.282 CV 1 ASSI { 2154} ( segid " " and resid 1709 and name HD1%) ( segid " " and resid 1737 and name HD% ) 4.200 2.200 1.800 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.97862E-03 ppm1 0.260 ppm2 7.181 CV 1 ASSI { 2156} ( segid " " and resid 1709 and name HG2%) ( segid " " and resid 1738 and name HE% ) 2.600 0.900 0.900 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.16254E-02 ppm1 0.804 ppm2 7.061 CV 1 ASSI { 2158} ( segid " " and resid 1709 and name HD1%) ( segid " " and resid 1738 and name HE% ) 3.200 1.300 1.300 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.11513E-02 ppm1 0.256 ppm2 7.061 CV 1 ASSI { 2160} (( segid " " and resid 1709 and name HA )) (( segid " " and resid 1734 and name HA )) 3.400 1.500 1.500 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.79239E-03 ppm1 3.433 ppm2 4.039 CV 1 ASSI { 2162} ( segid " " and resid 1709 and name HG2%) (( segid " " and resid 1709 and name HA )) 2.400 0.700 0.700 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.43886E-02 ppm1 0.806 ppm2 3.432 CV 1 ASSI { 2164} (( segid " " and resid 1709 and name HG12)) (( segid " " and resid 1709 and name HA )) 3.000 1.100 1.100 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 0.826 ppm2 3.429 CV 1 ASSI { 2166} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1709 and name HA )) 3.800 1.800 1.800 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.15882E-02 ppm1 0.259 ppm2 3.433 CV 1 ASSI { 2168} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1737 and name HB2 )) 3.200 1.300 1.300 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.19302E-02 ppm1 0.259 ppm2 3.093 CV 1 ASSI { 2169} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1734 and name HG2 )) 4.300 2.400 1.700 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.70093E-03 ppm1 0.260 ppm2 2.504 CV 1 OR { 2169} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1734 and name HG3 )) ASSI { 2170} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1737 and name HB3 )) 3.100 1.200 1.200 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.17134E-02 ppm1 0.258 ppm2 2.636 CV 1 ASSI { 2171} (( segid " " and resid 1709 and name HA )) (( segid " " and resid 1734 and name HG3 )) 3.100 1.200 1.200 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 3.434 ppm2 2.494 CV 1 ASSI { 2172} (( segid " " and resid 1709 and name HG12)) (( segid " " and resid 1734 and name HG3 )) 4.000 2.000 2.000 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.52826E-03 ppm1 0.823 ppm2 2.494 CV 1 ASSI { 2174} ( segid " " and resid 1709 and name HG2%) (( segid " " and resid 1734 and name HG3 )) 2.400 0.700 0.700 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.30239E-02 ppm1 0.808 ppm2 2.491 CV 1 ASSI { 2175} (( segid " " and resid 1709 and name HA )) ( segid " " and resid 1734 and name HE% ) 3.700 1.800 1.800 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.12157E-02 ppm1 3.433 ppm2 2.024 CV 1 ASSI { 2176} (( segid " " and resid 1709 and name HA )) (( segid " " and resid 1712 and name HB2 )) 4.100 2.100 1.900 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.11513E-02 ppm1 3.435 ppm2 1.932 CV 1 ASSI { 2178} (( segid " " and resid 1709 and name HA )) (( segid " " and resid 1709 and name HG13)) 3.000 1.100 1.100 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.26480E-02 ppm1 3.428 ppm2 1.686 CV 1 ASSI { 2179} (( segid " " and resid 1709 and name HG12)) (( segid " " and resid 1709 and name HB )) 3.500 1.500 1.500 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.78898E-03 ppm1 0.825 ppm2 1.805 CV 1 ASSI { 2180} (( segid " " and resid 1709 and name HG12)) (( segid " " and resid 1709 and name HG13)) 2.100 0.500 0.500 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.27395E-02 ppm1 0.827 ppm2 1.691 CV 1 ASSI { 2181} ( segid " " and resid 1709 and name HG2%) (( segid " " and resid 1709 and name HB )) 2.100 0.500 0.500 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.68501E-02 ppm1 0.806 ppm2 1.806 CV 1 ASSI { 2182} ( segid " " and resid 1709 and name HG2%) (( segid " " and resid 1709 and name HG13)) 3.100 1.200 1.200 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.28817E-02 ppm1 0.805 ppm2 1.691 CV 1 ASSI { 2185} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1709 and name HB )) 2.500 0.800 0.800 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.38807E-02 ppm1 0.260 ppm2 1.804 CV 1 ASSI { 2186} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1709 and name HG13)) 2.300 0.700 0.700 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.45342E-02 ppm1 0.257 ppm2 1.695 CV 1 ASSI { 2187} ( segid " " and resid 1709 and name HD1%) ( segid " " and resid 1705 and name HB% ) 2.900 1.000 1.000 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.28817E-02 ppm1 0.258 ppm2 1.569 CV 1 ASSI { 2188} (( segid " " and resid 1709 and name HA )) ( segid " " and resid 1712 and name HD2%) 3.000 1.200 1.200 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.22891E-02 ppm1 3.433 ppm2 0.994 CV 1 OR { 2188} (( segid " " and resid 1709 and name HA )) ( segid " " and resid 1712 and name HD1%) ASSI { 2191} ( segid " " and resid 1709 and name HD1%) ( segid " " and resid 1768 and name HD2%) 2.500 0.800 0.800 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.39687E-02 ppm1 0.258 ppm2 0.907 CV 1 ASSI { 2192} (( segid " " and resid 1709 and name HA )) ( segid " " and resid 1709 and name HG2%) 2.300 0.700 0.700 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.55535E-02 ppm1 3.431 ppm2 0.812 CV 1 OR { 2192} (( segid " " and resid 1709 and name HA )) (( segid " " and resid 1709 and name HG12)) ASSI { 2194} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1709 and name HG12)) 2.000 0.500 0.500 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.12217E-01 ppm1 0.258 ppm2 0.811 CV 1 OR { 2194} ( segid " " and resid 1709 and name HD1%) ( segid " " and resid 1709 and name HG2%) ASSI { 2195} ( segid " " and resid 1709 and name HD1%) ( segid " " and resid 1741 and name HD1%) 2.400 0.700 0.700 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.48153E-02 ppm1 0.259 ppm2 0.701 CV 1 ASSI { 2198} (( segid " " and resid 1709 and name HG12)) ( segid " " and resid 1709 and name HD1%) 2.600 0.900 0.900 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.21570E-02 ppm1 0.823 ppm2 0.261 CV 1 ASSI { 2199} ( segid " " and resid 1709 and name HG2%) ( segid " " and resid 1709 and name HD1%) 2.100 0.600 0.600 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.89534E-02 ppm1 0.806 ppm2 0.259 CV 1 ASSI { 2200} (( segid " " and resid 1710 and name HA )) (( segid " " and resid 1710 and name H )) 2.500 0.800 0.800 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.30815E-02 ppm1 4.057 ppm2 8.471 CV 1 ASSI { 2201} (( segid " " and resid 1710 and name HA )) (( segid " " and resid 1711 and name H )) 3.200 1.300 1.300 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.99897E-03 ppm1 4.059 ppm2 7.632 CV 1 ASSI { 2202} (( segid " " and resid 1710 and name HA )) (( segid " " and resid 1713 and name H )) 3.600 1.700 1.700 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.10735E-02 ppm1 4.054 ppm2 7.276 CV 1 ASSI { 2203} (( segid " " and resid 1710 and name HA )) (( segid " " and resid 1804 and name HA )) 3.400 1.500 1.500 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.87030E-03 ppm1 4.059 ppm2 3.780 CV 1 ASSI { 2205} (( segid " " and resid 1710 and name HA )) (( segid " " and resid 1713 and name HG13)) 3.200 1.300 1.300 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.17338E-02 ppm1 4.055 ppm2 2.278 CV 1 ASSI { 2206} (( segid " " and resid 1710 and name HA )) ( segid " " and resid 1803 and name HE% ) 5.400 3.600 0.600 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.50794E-03 ppm1 4.056 ppm2 2.057 CV 1 ASSI { 2207} (( segid " " and resid 1710 and name HA )) (( segid " " and resid 1713 and name HB )) 2.800 1.000 1.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.74162E-03 ppm1 4.054 ppm2 1.926 CV 1 ASSI { 2208} (( segid " " and resid 1710 and name HB3 )) (( segid " " and resid 1707 and name HG3 )) 4.300 2.300 1.700 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.73822E-03 ppm1 4.058 ppm2 2.255 CV 1 ASSI { 2209} (( segid " " and resid 1710 and name HA )) ( segid " " and resid 1713 and name HD1%) 2.100 0.500 0.500 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.64237E-02 ppm1 4.056 ppm2 1.013 CV 1 ASSI { 2210} (( segid " " and resid 1710 and name HA )) ( segid " " and resid 1807 and name HG1%) 3.600 1.600 1.600 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.23738E-02 ppm1 4.057 ppm2 0.908 CV 1 ASSI { 2211} (( segid " " and resid 1710 and name HA )) ( segid " " and resid 1709 and name HG2%) 4.100 2.100 1.900 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 4.055 ppm2 0.811 CV 1 ASSI { 2212} (( segid " " and resid 1710 and name HB3 )) ( segid " " and resid 1709 and name HG2%) 5.000 3.200 1.000 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.45038E-03 ppm1 4.055 ppm2 0.806 CV 1 ASSI { 2213} (( segid " " and resid 1710 and name HB2 )) ( segid " " and resid 1709 and name HG2%) 4.100 2.100 1.900 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 4.004 ppm2 0.800 CV 1 ASSI { 2214} (( segid " " and resid 1711 and name HB2 )) (( segid " " and resid 1711 and name H )) 2.700 0.900 0.900 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.25803E-02 ppm1 3.372 ppm2 7.634 CV 1 ASSI { 2215} (( segid " " and resid 1711 and name HB3 )) (( segid " " and resid 1712 and name H )) 3.200 1.200 1.200 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.88717E-03 ppm1 3.273 ppm2 7.710 CV 1 ASSI { 2217} (( segid " " and resid 1711 and name HA )) (( segid " " and resid 1712 and name H )) 3.000 1.100 1.100 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.26819E-02 ppm1 4.647 ppm2 7.708 CV 1 ASSI { 2218} (( segid " " and resid 1711 and name HA )) (( segid " " and resid 1711 and name H )) 2.600 0.900 0.900 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.46697E-02 ppm1 4.644 ppm2 7.636 CV 1 ASSI { 2219} (( segid " " and resid 1791 and name HB3 )) (( segid " " and resid 1792 and name H )) 4.100 2.100 1.900 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.43683E-03 ppm1 3.272 ppm2 7.352 CV 1 OR { 2219} (( segid " " and resid 1791 and name HB2 )) (( segid " " and resid 1792 and name H )) ASSI { 2220} (( segid " " and resid 1711 and name HB2 )) (( segid " " and resid 1711 and name HD2 )) 3.800 1.800 1.800 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.53842E-03 ppm1 3.374 ppm2 7.214 CV 1 ASSI { 2221} (( segid " " and resid 1711 and name HA )) (( segid " " and resid 1711 and name HD2 )) 3.100 1.200 1.200 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.20724E-02 ppm1 4.645 ppm2 7.212 CV 1 ASSI { 2222} (( segid " " and resid 1711 and name HB2 )) (( segid " " and resid 1712 and name H )) 3.900 1.900 1.900 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.77884E-03 ppm1 3.363 ppm2 7.718 CV 1 ASSI { 2227} (( segid " " and resid 1754 and name HA )) (( segid " " and resid 1754 and name HB2 )) 3.100 1.200 1.200 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.28411E-02 ppm1 4.647 ppm2 3.965 CV 1 ASSI { 2228} (( segid " " and resid 1754 and name HA )) (( segid " " and resid 1754 and name HB3 )) 2.900 1.100 1.100 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.19505E-02 ppm1 4.650 ppm2 3.843 CV 1 ASSI { 2229} (( segid " " and resid 1711 and name HB3 )) (( segid " " and resid 1711 and name HB2 )) 1.800 0.400 0.400 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.15695E-01 ppm1 3.271 ppm2 3.364 CV 1 ASSI { 2230} (( segid " " and resid 1711 and name HA )) (( segid " " and resid 1711 and name HB2 )) 2.500 0.800 0.800 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.61088E-02 ppm1 4.644 ppm2 3.369 CV 1 ASSI { 2231} (( segid " " and resid 1711 and name HA )) (( segid " " and resid 1711 and name HB3 )) 2.800 1.000 1.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.42430E-02 ppm1 4.646 ppm2 3.272 CV 1 ASSI { 2233} (( segid " " and resid 1713 and name HA )) (( segid " " and resid 1714 and name H )) 3.500 1.500 1.500 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.77204E-03 ppm1 3.333 ppm2 8.901 CV 1 ASSI { 2235} (( segid " " and resid 1713 and name HA )) (( segid " " and resid 1717 and name H )) 3.700 1.800 1.800 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.82287E-03 ppm1 3.337 ppm2 8.523 CV 1 ASSI { 2236} (( segid " " and resid 1713 and name HA )) (( segid " " and resid 1716 and name H )) 3.500 1.600 1.600 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.77884E-03 ppm1 3.339 ppm2 8.093 CV 1 ASSI { 2238} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1714 and name H )) 4.400 2.500 1.600 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.88044E-03 ppm1 1.017 ppm2 8.903 CV 1 ASSI { 2239} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1807 and name H )) 4.300 2.300 1.700 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.51132E-03 ppm1 1.019 ppm2 8.596 CV 1 ASSI { 2242} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1714 and name H )) 2.700 0.900 0.900 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.30307E-02 ppm1 0.980 ppm2 8.903 CV 1 ASSI { 2243} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1804 and name H )) 3.100 1.200 1.200 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.17236E-02 ppm1 0.982 ppm2 8.534 CV 1 ASSI { 2244} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1803 and name H )) 4.900 3.100 1.100 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.35894E-03 ppm1 0.980 ppm2 8.338 CV 1 ASSI { 2245} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1716 and name H )) 3.800 1.800 1.800 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 0.980 ppm2 8.083 CV 1 ASSI { 2248} (( segid " " and resid 1713 and name HA )) (( segid " " and resid 1712 and name H )) 4.600 2.700 1.400 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.43006E-03 ppm1 3.335 ppm2 7.716 CV 1 ASSI { 2250} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1713 and name HA )) 3.600 1.700 1.700 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.24889E-02 ppm1 1.017 ppm2 3.334 CV 1 ASSI { 2254} (( segid " " and resid 1713 and name HB )) (( segid " " and resid 1714 and name HA )) 4.200 2.200 1.800 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.47747E-03 ppm1 1.931 ppm2 4.328 CV 1 ASSI { 2255} (( segid " " and resid 1713 and name HA )) (( segid " " and resid 1714 and name HA )) 4.300 2.300 1.700 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.30477E-03 ppm1 3.323 ppm2 4.320 CV 1 ASSI { 2256} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1803 and name HA )) 4.200 2.200 1.800 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.64339E-03 ppm1 1.014 ppm2 4.337 CV 1 ASSI { 2258} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1800 and name HA )) 2.700 0.900 0.900 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.39145E-02 ppm1 0.981 ppm2 3.408 CV 1 ASSI { 2259} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1713 and name HA )) 2.400 0.700 0.700 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.64271E-02 ppm1 0.981 ppm2 3.335 CV 1 ASSI { 2260} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1804 and name HA )) 3.600 1.600 1.600 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.78898E-03 ppm1 0.988 ppm2 3.787 CV 1 ASSI { 2261} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1710 and name HA )) 3.800 1.800 1.800 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.12699E-02 ppm1 0.979 ppm2 4.058 CV 1 ASSI { 2263} (( segid " " and resid 1713 and name HB )) (( segid " " and resid 1713 and name HG13)) 2.800 1.000 1.000 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 1.924 ppm2 2.276 CV 1 OR { 2263} (( segid " " and resid 1713 and name HB )) (( segid " " and resid 1713 and name HG12)) ASSI { 2264} (( segid " " and resid 1713 and name HA )) (( segid " " and resid 1713 and name HG12)) 2.700 0.900 0.900 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.22654E-02 ppm1 3.335 ppm2 2.281 CV 1 OR { 2264} (( segid " " and resid 1713 and name HA )) (( segid " " and resid 1713 and name HG13)) ASSI { 2266} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1713 and name HG12)) 2.200 0.600 0.600 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.68168E-02 ppm1 1.018 ppm2 2.279 CV 1 OR { 2266} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1713 and name HG13)) ASSI { 2268} ( segid " " and resid 1713 and name HD1%) ( segid " " and resid 1803 and name HE% ) 2.100 0.600 0.600 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.62274E-02 ppm1 1.017 ppm2 2.057 CV 1 OR { 2268} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1803 and name HB3 )) ASSI { 2269} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1803 and name HG3 )) 4.000 2.000 2.000 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.12190E-02 ppm1 1.016 ppm2 2.761 CV 1 ASSI { 2270} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1714 and name HG3 )) 3.400 1.500 1.500 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.12055E-02 ppm1 0.978 ppm2 2.355 CV 1 ASSI { 2271} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1713 and name HG12)) 2.600 0.800 0.800 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.42735E-02 ppm1 0.981 ppm2 2.278 CV 1 OR { 2271} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1713 and name HG13)) ASSI { 2272} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1803 and name HB2 )) 3.200 1.300 1.300 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.23535E-02 ppm1 0.980 ppm2 2.129 CV 1 ASSI { 2273} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1803 and name HB3 )) 2.300 0.700 0.700 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.51201E-02 ppm1 0.981 ppm2 2.050 CV 1 ASSI { 2274} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1713 and name HB )) 2.100 0.500 0.500 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.90752E-02 ppm1 0.981 ppm2 1.926 CV 1 ASSI { 2275} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1803 and name HG2 )) 3.900 1.900 1.900 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.11784E-02 ppm1 0.984 ppm2 2.486 CV 1 ASSI { 2276} ( segid " " and resid 1713 and name HG2%) (( segid " " and resid 1803 and name HG3 )) 4.500 2.600 1.500 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.61630E-03 ppm1 0.982 ppm2 2.759 CV 1 ASSI { 2277} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1713 and name HB )) 2.600 0.800 0.800 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.54079E-02 ppm1 1.017 ppm2 1.925 CV 1 ASSI { 2278} (( segid " " and resid 1713 and name HA )) (( segid " " and resid 1713 and name HB )) 2.900 1.100 1.100 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.18997E-02 ppm1 3.333 ppm2 1.927 CV 1 ASSI { 2281} ( segid " " and resid 1713 and name HD1%) ( segid " " and resid 1807 and name HG1%) 3.000 1.100 1.100 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.54079E-02 ppm1 1.018 ppm2 0.918 CV 1 ASSI { 2282} ( segid " " and resid 1713 and name HD1%) ( segid " " and resid 1709 and name HG2%) 2.700 0.900 0.900 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.16051E-02 ppm1 1.021 ppm2 0.812 CV 1 ASSI { 2283} (( segid " " and resid 1713 and name HG13)) ( segid " " and resid 1709 and name HG2%) 3.500 1.500 1.500 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.36233E-03 ppm1 2.269 ppm2 0.802 CV 1 OR { 2283} (( segid " " and resid 1713 and name HG12)) ( segid " " and resid 1709 and name HG2%) ASSI { 2284} ( segid " " and resid 1713 and name HG2%) ( segid " " and resid 1800 and name HG2%) 2.000 0.500 0.500 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.16488E-01 ppm1 0.980 ppm2 0.894 CV 1 ASSI { 2285} ( segid " " and resid 1713 and name HG2%) ( segid " " and resid 1709 and name HG2%) 4.600 2.600 1.400 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.13782E-02 ppm1 0.992 ppm2 0.816 CV 1 ASSI { 2286} (( segid " " and resid 1714 and name HA )) (( segid " " and resid 1714 and name H )) 2.500 0.800 0.800 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.45918E-02 ppm1 4.325 ppm2 8.901 CV 1 ASSI { 2287} (( segid " " and resid 1714 and name HA )) (( segid " " and resid 1717 and name H )) 3.100 1.200 1.200 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 4.325 ppm2 8.528 CV 1 ASSI { 2288} (( segid " " and resid 1714 and name HB3 )) (( segid " " and resid 1714 and name H )) 3.300 1.300 1.300 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.39213E-02 ppm1 2.070 ppm2 8.902 CV 1 ASSI { 2289} (( segid " " and resid 1714 and name HB2 )) (( segid " " and resid 1714 and name H )) 2.500 0.800 0.800 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.33287E-02 ppm1 2.156 ppm2 8.901 CV 1 ASSI { 2290} (( segid " " and resid 1714 and name HG2 )) (( segid " " and resid 1714 and name H )) 3.000 1.100 1.100 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.20758E-02 ppm1 2.229 ppm2 8.902 CV 1 ASSI { 2291} (( segid " " and resid 1714 and name HB2 )) (( segid " " and resid 1714 and name HA )) 2.900 1.000 1.000 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.35826E-02 ppm1 2.156 ppm2 4.325 CV 1 ASSI { 2293} (( segid " " and resid 1714 and name HB2 )) (( segid " " and resid 1715 and name HD3 )) 2.200 0.600 0.600 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.32305E-02 ppm1 2.158 ppm2 3.751 CV 1 ASSI { 2294} (( segid " " and resid 1714 and name HB2 )) (( segid " " and resid 1715 and name HD2 )) 3.200 1.200 1.200 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.17710E-02 ppm1 2.158 ppm2 3.616 CV 1 ASSI { 2295} (( segid " " and resid 1714 and name HB3 )) (( segid " " and resid 1715 and name HD3 )) 3.500 1.600 1.600 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 2.069 ppm2 3.750 CV 1 ASSI { 2296} (( segid " " and resid 1714 and name HB3 )) (( segid " " and resid 1715 and name HD2 )) 4.300 2.300 1.700 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.16999E-02 ppm1 2.069 ppm2 3.613 CV 1 ASSI { 2297} (( segid " " and resid 1714 and name HA )) (( segid " " and resid 1715 and name HD3 )) 4.100 2.100 1.900 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.10904E-02 ppm1 4.327 ppm2 3.755 CV 1 ASSI { 2298} (( segid " " and resid 1714 and name HA )) (( segid " " and resid 1715 and name HD2 )) 4.400 2.500 1.600 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.34540E-03 ppm1 4.322 ppm2 3.621 CV 1 ASSI { 2299} (( segid " " and resid 1714 and name HG2 )) (( segid " " and resid 1715 and name HD2 )) 4.900 3.100 1.100 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.49101E-03 ppm1 2.229 ppm2 3.612 CV 1 ASSI { 2300} (( segid " " and resid 1714 and name HG2 )) (( segid " " and resid 1715 and name HD3 )) 4.500 2.500 1.500 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 2.229 ppm2 3.754 CV 1 ASSI { 2301} (( segid " " and resid 1714 and name HG3 )) (( segid " " and resid 1715 and name HD3 )) 4.600 2.700 1.400 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.67725E-03 ppm1 2.366 ppm2 3.746 CV 1 ASSI { 2302} (( segid " " and resid 1714 and name HB3 )) (( segid " " and resid 1714 and name HG3 )) 2.800 1.000 1.000 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.38434E-02 ppm1 2.071 ppm2 2.366 CV 1 ASSI { 2303} (( segid " " and resid 1714 and name HB3 )) (( segid " " and resid 1714 and name HG2 )) 2.500 0.800 0.800 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.62172E-02 ppm1 2.069 ppm2 2.227 CV 1 ASSI { 2308} (( segid " " and resid 1714 and name HA )) (( segid " " and resid 1714 and name HB3 )) 2.400 0.700 0.700 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.48254E-02 ppm1 4.324 ppm2 2.071 CV 1 ASSI { 2310} (( segid " " and resid 1714 and name HB2 )) (( segid " " and resid 1714 and name HG3 )) 2.500 0.800 0.800 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.37791E-02 ppm1 2.158 ppm2 2.364 CV 1 ASSI { 2311} (( segid " " and resid 1714 and name HB2 )) (( segid " " and resid 1714 and name HB3 )) 1.800 0.400 0.400 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.14151E-01 ppm1 2.155 ppm2 2.071 CV 1 ASSI { 2312} (( segid " " and resid 1714 and name HA )) ( segid " " and resid 1717 and name HB% ) 2.800 2.800 3.200 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.49203E-02 ppm1 4.323 ppm2 1.457 CV 1 ASSI { 2313} (( segid " " and resid 1714 and name HA )) ( segid " " and resid 1713 and name HG2%) 2.900 1.000 1.000 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.28343E-02 ppm1 4.325 ppm2 0.983 CV 1 ASSI { 2314} (( segid " " and resid 1714 and name HA )) ( segid " " and resid 1800 and name HG2%) 3.300 1.300 1.300 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.93120E-03 ppm1 4.324 ppm2 0.892 CV 1 ASSI { 2315} (( segid " " and resid 1714 and name HB3 )) ( segid " " and resid 1713 and name HG2%) 4.300 2.300 1.700 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.73482E-03 ppm1 2.074 ppm2 0.987 CV 1 ASSI { 2316} (( segid " " and resid 1714 and name HB3 )) ( segid " " and resid 1800 and name HG2%) 4.900 3.000 1.100 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.32509E-03 ppm1 2.070 ppm2 0.890 CV 1 ASSI { 2317} (( segid " " and resid 1714 and name HB2 )) ( segid " " and resid 1713 and name HG2%) 4.300 2.300 1.700 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.58921E-03 ppm1 2.158 ppm2 0.988 CV 1 ASSI { 2319} (( segid " " and resid 1714 and name HG2 )) ( segid " " and resid 1713 and name HG2%) 3.300 1.400 1.400 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.10904E-02 ppm1 2.229 ppm2 0.978 CV 1 ASSI { 2320} (( segid " " and resid 1714 and name HG2 )) ( segid " " and resid 1800 and name HG2%) 3.700 1.700 1.700 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.98543E-03 ppm1 2.225 ppm2 0.892 CV 1 ASSI { 2324} (( segid " " and resid 1715 and name HD2 )) ( segid " " and resid 1712 and name HD1%) 3.600 1.700 1.700 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.82287E-03 ppm1 3.613 ppm2 0.998 CV 1 ASSI { 2326} (( segid " " and resid 1715 and name HD3 )) (( segid " " and resid 1715 and name HB3 )) 3.200 1.300 1.300 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.94814E-03 ppm1 3.755 ppm2 1.687 CV 1 ASSI { 2327} (( segid " " and resid 1740 and name HA )) (( segid " " and resid 1743 and name HB3 )) 3.800 1.800 1.800 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.24178E-02 ppm1 4.362 ppm2 1.590 CV 1 ASSI { 2328} (( segid " " and resid 1740 and name HA )) (( segid " " and resid 1743 and name HB2 )) 2.700 0.900 0.900 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.21706E-02 ppm1 4.361 ppm2 1.760 CV 1 ASSI { 2330} (( segid " " and resid 1740 and name HA )) (( segid " " and resid 1740 and name HG3 )) 3.700 1.700 1.700 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.19979E-02 ppm1 4.362 ppm2 2.138 CV 1 ASSI { 2331} (( segid " " and resid 1715 and name HA )) (( segid " " and resid 1715 and name HG3 )) 3.500 1.600 1.600 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.26650E-02 ppm1 4.317 ppm2 2.086 CV 1 ASSI { 2332} (( segid " " and resid 1715 and name HA )) (( segid " " and resid 1715 and name HB2 )) 2.600 0.800 0.800 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.67116E-02 ppm1 4.316 ppm2 2.387 CV 1 ASSI { 2333} (( segid " " and resid 1740 and name HA )) (( segid " " and resid 1740 and name HB2 )) 2.500 0.800 0.800 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.73210E-02 ppm1 4.361 ppm2 2.380 CV 1 ASSI { 2334} (( segid " " and resid 1665 and name HG12)) (( segid " " and resid 1776 and name HB2 )) 3.100 1.200 1.200 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.10159E-02 ppm1 1.699 ppm2 1.956 CV 1 ASSI { 2337} (( segid " " and resid 1740 and name HD3 )) (( segid " " and resid 1740 and name HG2 )) 3.000 1.200 1.200 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 3.673 ppm2 2.321 CV 1 ASSI { 2338} (( segid " " and resid 1740 and name HD3 )) (( segid " " and resid 1739 and name HB3 )) 1.900 0.500 0.500 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.70910E-02 ppm1 3.672 ppm2 2.203 CV 1 ASSI { 2339} (( segid " " and resid 1715 and name HD2 )) (( segid " " and resid 1715 and name HG2 )) 2.400 0.700 0.700 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.29325E-02 ppm1 3.616 ppm2 2.373 CV 1 ASSI { 2340} (( segid " " and resid 1715 and name HD3 )) (( segid " " and resid 1715 and name HG2 )) 3.000 1.100 1.100 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.33964E-02 ppm1 3.752 ppm2 2.372 CV 1 ASSI { 2343} (( segid " " and resid 1756 and name HD3 )) (( segid " " and resid 1756 and name HB3 )) 3.800 1.800 1.800 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.94140E-03 ppm1 3.824 ppm2 1.801 CV 1 ASSI { 2344} ( segid " " and resid 1713 and name HG2%) ( segid " " and resid 1717 and name HB% ) 3.200 1.300 1.300 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.56754E-02 ppm1 0.982 ppm2 1.458 CV 1 ASSI { 2345} ( segid " " and resid 1713 and name HG2%) ( segid " " and resid 1804 and name HG2%) 3.300 1.400 1.400 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.24076E-02 ppm1 0.977 ppm2 1.300 CV 1 ASSI { 2346} (( segid " " and resid 1740 and name HD3 )) (( segid " " and resid 1740 and name HB3 )) 3.100 1.200 1.200 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.11818E-02 ppm1 3.673 ppm2 1.891 CV 1 ASSI { 2347} (( segid " " and resid 1730 and name HB3 )) (( segid " " and resid 1730 and name HE3 )) 4.200 2.200 1.800 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.87030E-03 ppm1 1.677 ppm2 3.048 CV 1 ASSI { 2348} (( segid " " and resid 1715 and name HA )) (( segid " " and resid 1715 and name HD2 )) 4.000 2.000 2.000 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.59599E-03 ppm1 4.311 ppm2 3.610 CV 1 ASSI { 2349} (( segid " " and resid 1715 and name HA )) (( segid " " and resid 1715 and name HD3 )) 3.500 1.500 1.500 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.89738E-03 ppm1 4.314 ppm2 3.750 CV 1 ASSI { 2350} (( segid " " and resid 1740 and name HA )) (( segid " " and resid 1740 and name HD3 )) 3.300 1.400 1.400 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.10667E-02 ppm1 4.361 ppm2 3.666 CV 1 ASSI { 2351} (( segid " " and resid 1715 and name HD3 )) (( segid " " and resid 1715 and name HD2 )) 1.900 0.400 0.400 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.77136E-02 ppm1 3.752 ppm2 3.613 CV 1 ASSI { 2355} (( segid " " and resid 1740 and name HD3 )) (( segid " " and resid 1740 and name HD2 )) 1.800 0.400 0.400 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.10552E-01 ppm1 3.672 ppm2 3.933 CV 1 ASSI { 2356} (( segid " " and resid 1715 and name HD3 )) (( segid " " and resid 1712 and name HA )) 3.700 1.700 1.700 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.14222E-02 ppm1 3.751 ppm2 4.405 CV 1 ASSI { 2358} (( segid " " and resid 1715 and name HD2 )) (( segid " " and resid 1712 and name HA )) 2.700 0.900 0.900 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.20386E-02 ppm1 3.614 ppm2 4.406 CV 1 ASSI { 2361} (( segid " " and resid 1715 and name HD3 )) (( segid " " and resid 1713 and name H )) 5.300 3.500 0.700 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.25397E-03 ppm1 3.748 ppm2 7.271 CV 1 ASSI { 2362} (( segid " " and resid 1740 and name HD3 )) (( segid " " and resid 1741 and name H )) 4.400 2.500 1.600 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.53842E-03 ppm1 3.679 ppm2 7.422 CV 1 ASSI { 2363} (( segid " " and resid 1740 and name HD3 )) (( segid " " and resid 1738 and name H )) 5.000 3.100 1.000 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.40974E-03 ppm1 3.674 ppm2 7.626 CV 1 ASSI { 2364} (( segid " " and resid 1715 and name HA )) (( segid " " and resid 1716 and name H )) 3.500 1.500 1.500 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.77204E-03 ppm1 4.317 ppm2 8.093 CV 1 ASSI { 2365} (( segid " " and resid 1740 and name HA )) (( segid " " and resid 1744 and name H )) 3.600 1.600 1.600 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.81273E-03 ppm1 4.364 ppm2 8.100 CV 1 ASSI { 2366} (( segid " " and resid 1715 and name HD2 )) (( segid " " and resid 1716 and name H )) 3.200 1.300 1.300 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.76190E-03 ppm1 3.611 ppm2 8.088 CV 1 ASSI { 2367} (( segid " " and resid 1715 and name HD3 )) (( segid " " and resid 1716 and name H )) 4.500 2.500 1.500 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.46054E-03 ppm1 3.755 ppm2 8.091 CV 1 ASSI { 2368} (( segid " " and resid 1715 and name HD3 )) (( segid " " and resid 1714 and name H )) 3.400 1.400 1.400 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.25465E-02 ppm1 3.751 ppm2 8.902 CV 1 ASSI { 2370} (( segid " " and resid 1740 and name HD3 )) (( segid " " and resid 1739 and name H )) 3.300 1.300 1.300 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.26108E-02 ppm1 3.672 ppm2 8.900 CV 1 ASSI { 2372} (( segid " " and resid 1715 and name HA )) (( segid " " and resid 1717 and name H )) 4.400 2.400 1.600 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.25058E-03 ppm1 4.314 ppm2 8.522 CV 1 ASSI { 2373} (( segid " " and resid 1715 and name HB2 )) (( segid " " and resid 1718 and name H )) 4.300 2.300 1.700 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.43344E-03 ppm1 2.398 ppm2 8.907 CV 1 ASSI { 2374} (( segid " " and resid 1715 and name HB2 )) (( segid " " and resid 1716 and name H )) 3.400 1.500 1.500 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.96508E-03 ppm1 2.386 ppm2 8.090 CV 1 ASSI { 2375} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1731 and name HA )) 2.400 0.700 0.700 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.46527E-02 ppm1 0.892 ppm2 3.689 CV 1 ASSI { 2376} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1716 and name HA )) 3.600 1.600 1.600 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.21029E-02 ppm1 0.895 ppm2 3.857 CV 1 ASSI { 2377} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1776 and name HA )) 4.200 2.200 1.800 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.63662E-03 ppm1 0.892 ppm2 3.957 CV 1 ASSI { 2378} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1776 and name HA )) 3.300 1.400 1.400 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.20352E-02 ppm1 0.704 ppm2 3.960 CV 1 ASSI { 2379} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1717 and name HA )) 2.400 0.700 0.700 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.56822E-02 ppm1 0.700 ppm2 3.841 CV 1 ASSI { 2380} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1731 and name HA )) 3.800 1.800 1.800 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.11412E-02 ppm1 0.703 ppm2 3.705 CV 1 ASSI { 2381} (( segid " " and resid 1716 and name HB3 )) (( segid " " and resid 1713 and name HA )) 3.500 1.500 1.500 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.64001E-03 ppm1 2.007 ppm2 3.330 CV 1 ASSI { 2382} (( segid " " and resid 1716 and name HB2 )) (( segid " " and resid 1713 and name HA )) 3.400 1.500 1.500 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.55196E-03 ppm1 1.863 ppm2 3.334 CV 1 ASSI { 2383} (( segid " " and resid 1716 and name HA )) (( segid " " and resid 1713 and name HA )) 4.700 2.800 1.300 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.42667E-03 ppm1 3.864 ppm2 3.341 CV 1 ASSI { 2384} (( segid " " and resid 1702 and name HA )) (( segid " " and resid 1702 and name HG2 )) 2.900 1.000 1.000 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.15712E-02 ppm1 3.859 ppm2 2.888 CV 1 ASSI { 2385} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1713 and name HA )) 3.700 1.700 1.700 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.68066E-03 ppm1 0.892 ppm2 3.340 CV 1 ASSI { 2386} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1734 and name HG3 )) 3.700 1.700 1.700 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.12123E-02 ppm1 0.892 ppm2 2.506 CV 1 ASSI { 2387} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1734 and name HG3 )) 5.100 3.300 0.900 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.42667E-03 ppm1 0.703 ppm2 2.496 CV 1 ASSI { 2388} (( segid " " and resid 1702 and name HA )) (( segid " " and resid 1702 and name HB2 )) 2.800 1.000 1.000 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.46392E-02 ppm1 3.858 ppm2 2.334 CV 1 OR { 2388} (( segid " " and resid 1702 and name HA )) (( segid " " and resid 1702 and name HG3 )) ASSI { 2389} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1734 and name HB3 )) 3.000 1.200 1.200 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.25126E-02 ppm1 0.892 ppm2 2.131 CV 1 ASSI { 2390} ( segid " " and resid 1716 and name HD1%) ( segid " " and resid 1734 and name HE% ) 2.100 0.600 0.600 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.93970E-02 ppm1 0.892 ppm2 2.021 CV 1 ASSI { 2392} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1716 and name HB2 )) 3.200 1.300 1.300 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.33795E-02 ppm1 0.698 ppm2 1.861 CV 1 ASSI { 2393} (( segid " " and resid 1716 and name HA )) (( segid " " and resid 1716 and name HB3 )) 2.600 0.800 0.800 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.53029E-02 ppm1 3.861 ppm2 1.995 CV 1 ASSI { 2394} (( segid " " and resid 1716 and name HA )) (( segid " " and resid 1716 and name HB2 )) 2.500 0.800 0.800 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.36640E-02 ppm1 3.864 ppm2 1.862 CV 1 ASSI { 2395} (( segid " " and resid 1716 and name HB2 )) (( segid " " and resid 1716 and name HB3 )) 2.000 0.500 0.500 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.54891E-02 ppm1 1.862 ppm2 2.005 CV 1 ASSI { 2397} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1716 and name HB2 )) 2.400 0.700 0.700 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.34845E-02 ppm1 0.892 ppm2 1.861 CV 1 ASSI { 2398} (( segid " " and resid 1716 and name HA )) (( segid " " and resid 1730 and name HB3 )) 3.100 1.200 1.200 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.21570E-02 ppm1 3.864 ppm2 1.680 CV 1 ASSI { 2399} (( segid " " and resid 1702 and name HA )) ( segid " " and resid 1705 and name HB% ) 2.400 0.700 0.700 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.64509E-02 ppm1 3.859 ppm2 1.566 CV 1 ASSI { 2404} (( segid " " and resid 1716 and name HB3 )) ( segid " " and resid 1717 and name HB% ) 4.000 2.000 2.000 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.75850E-03 ppm1 2.006 ppm2 1.456 CV 1 ASSI { 2405} (( segid " " and resid 1716 and name HB3 )) (( segid " " and resid 1730 and name HB3 )) 4.600 2.600 1.400 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.64001E-03 ppm1 2.002 ppm2 1.684 CV 1 ASSI { 2406} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1730 and name HB3 )) 3.300 1.400 1.400 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 0.889 ppm2 1.672 CV 1 ASSI { 2408} ( segid " " and resid 1716 and name HD2%) ( segid " " and resid 1779 and name HB% ) 2.200 0.600 0.600 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.10582E-01 ppm1 0.699 ppm2 1.348 CV 1 ASSI { 2409} ( segid " " and resid 1716 and name HD1%) ( segid " " and resid 1779 and name HB% ) 3.700 1.800 1.800 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.15205E-02 ppm1 0.895 ppm2 1.356 CV 1 ASSI { 2411} ( segid " " and resid 1716 and name HD2%) ( segid " " and resid 1731 and name HG2%) 2.600 0.800 0.800 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.43852E-02 ppm1 0.701 ppm2 1.096 CV 1 ASSI { 2412} ( segid " " and resid 1716 and name HD2%) ( segid " " and resid 1775 and name HD1%) 2.100 0.600 0.600 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.88819E-02 ppm1 0.699 ppm2 1.022 CV 1 ASSI { 2413} ( segid " " and resid 1716 and name HD2%) ( segid " " and resid 1716 and name HD1%) 1.900 0.400 0.400 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.25759E-01 ppm1 0.702 ppm2 0.891 CV 1 ASSI { 2415} (( segid " " and resid 1716 and name HB3 )) ( segid " " and resid 1716 and name HD2%) 2.900 1.000 1.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.12766E-02 ppm1 1.998 ppm2 0.698 CV 1 ASSI { 2416} (( segid " " and resid 1716 and name HB3 )) ( segid " " and resid 1716 and name HD1%) 3.100 1.200 1.200 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.16051E-02 ppm1 2.002 ppm2 0.892 CV 1 ASSI { 2420} (( segid " " and resid 1716 and name HA )) ( segid " " and resid 1716 and name HD2%) 3.300 1.300 1.300 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 3.864 ppm2 0.703 CV 1 ASSI { 2423} (( segid " " and resid 1702 and name HA )) (( segid " " and resid 1705 and name H )) 3.400 1.400 1.400 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.91766E-03 ppm1 3.858 ppm2 7.454 CV 1 ASSI { 2424} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1734 and name H )) 3.900 1.900 1.900 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.87363E-03 ppm1 0.889 ppm2 7.952 CV 1 ASSI { 2428} (( segid " " and resid 1716 and name HA )) (( segid " " and resid 1719 and name H )) 3.200 1.300 1.300 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 3.867 ppm2 7.934 CV 1 ASSI { 2429} (( segid " " and resid 1702 and name HA )) (( segid " " and resid 1702 and name H )) 2.700 0.900 0.900 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.30815E-02 ppm1 3.858 ppm2 8.315 CV 1 ASSI { 2430} (( segid " " and resid 1702 and name HA )) (( segid " " and resid 1706 and name H )) 2.800 2.800 3.200 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 3.856 ppm2 8.495 CV 1 ASSI { 2432} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1717 and name H )) 4.200 2.200 1.800 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.11513E-02 ppm1 0.892 ppm2 8.509 CV 1 ASSI { 2433} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1717 and name H )) 3.100 1.200 1.200 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.23806E-02 ppm1 0.702 ppm2 8.524 CV 1 ASSI { 2434} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1720 and name H )) 3.600 1.600 1.600 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.84655E-03 ppm1 0.700 ppm2 8.353 CV 1 ASSI { 2436} (( segid " " and resid 1717 and name HA )) (( segid " " and resid 1720 and name H )) 3.000 1.100 1.100 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.17236E-02 ppm1 3.830 ppm2 8.356 CV 1 ASSI { 2438} (( segid " " and resid 1717 and name HA )) (( segid " " and resid 1717 and name H )) 2.400 0.700 0.700 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.58345E-02 ppm1 3.842 ppm2 8.512 CV 1 ASSI { 2439} (( segid " " and resid 1717 and name HA )) (( segid " " and resid 1716 and name H )) 4.300 2.300 1.700 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.67048E-03 ppm1 3.837 ppm2 8.092 CV 1 ASSI { 2440} (( segid " " and resid 1769 and name HA )) ( segid " " and resid 1738 and name HD% ) 3.700 1.700 1.700 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.52148E-03 ppm1 3.847 ppm2 7.284 CV 1 ASSI { 2441} (( segid " " and resid 1769 and name HA )) ( segid " " and resid 1738 and name HE% ) 2.700 0.900 0.900 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.19607E-02 ppm1 3.848 ppm2 7.061 CV 1 ASSI { 2442} (( segid " " and resid 1769 and name HA )) (( segid " " and resid 1738 and name HZ )) 3.800 1.800 1.800 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.99897E-03 ppm1 3.850 ppm2 6.987 CV 1 ASSI { 2443} (( segid " " and resid 1769 and name HA )) (( segid " " and resid 1768 and name HB3 )) 3.800 1.800 1.800 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.58921E-03 ppm1 3.844 ppm2 2.362 CV 1 ASSI { 2444} (( segid " " and resid 1769 and name HA )) ( segid " " and resid 1803 and name HE% ) 4.900 3.000 1.100 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.70774E-03 ppm1 3.837 ppm2 2.063 CV 1 ASSI { 2445} (( segid " " and resid 1717 and name HA )) (( segid " " and resid 1796 and name HB3 )) 4.900 3.000 1.100 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.44360E-03 ppm1 3.843 ppm2 1.885 CV 1 ASSI { 2447} (( segid " " and resid 1717 and name HA )) ( segid " " and resid 1720 and name HB% ) 2.400 0.700 0.700 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.62917E-02 ppm1 3.827 ppm2 1.553 CV 1 ASSI { 2449} (( segid " " and resid 1769 and name HA )) ( segid " " and resid 1769 and name HB% ) 2.200 0.600 0.600 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.95460E-02 ppm1 3.847 ppm2 1.332 CV 1 ASSI { 2451} (( segid " " and resid 1717 and name HA )) ( segid " " and resid 1796 and name HD2%) 2.600 0.900 0.900 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.35522E-02 ppm1 3.830 ppm2 0.865 CV 1 ASSI { 2452} (( segid " " and resid 1717 and name HA )) ( segid " " and resid 1796 and name HD1%) 2.700 0.900 0.900 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.32000E-02 ppm1 3.828 ppm2 0.812 CV 1 ASSI { 2454} (( segid " " and resid 1769 and name HA )) ( segid " " and resid 1668 and name HD2%) 3.700 1.700 1.700 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.13206E-02 ppm1 3.846 ppm2 0.369 CV 1 ASSI { 2455} (( segid " " and resid 1769 and name HA )) ( segid " " and resid 1668 and name HD1%) 2.900 1.000 1.000 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.20690E-02 ppm1 3.848 ppm2 0.226 CV 1 ASSI { 2456} ( segid " " and resid 1748 and name HB% ) ( segid " " and resid 1761 and name HD2%) 2.100 0.600 0.600 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.11781E-01 ppm1 1.439 ppm2 0.840 CV 1 ASSI { 2458} ( segid " " and resid 1760 and name HB% ) (( segid " " and resid 1760 and name HA )) 2.100 0.500 0.500 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.18188E-01 ppm1 1.453 ppm2 4.245 CV 1 ASSI { 2460} (( segid " " and resid 1718 and name HA )) (( segid " " and resid 1718 and name H )) 2.700 0.900 0.900 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.33829E-02 ppm1 4.122 ppm2 8.902 CV 1 ASSI { 2461} (( segid " " and resid 1718 and name HB2 )) (( segid " " and resid 1717 and name H )) 4.700 2.700 1.300 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.48762E-03 ppm1 3.926 ppm2 8.505 CV 1 ASSI { 2462} (( segid " " and resid 1718 and name HA )) (( segid " " and resid 1721 and name H )) 3.900 1.900 1.900 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.99897E-03 ppm1 4.119 ppm2 7.609 CV 1 ASSI { 2464} (( segid " " and resid 1732 and name HB3 )) (( segid " " and resid 1729 and name HA )) 3.200 1.300 1.300 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.13646E-02 ppm1 3.931 ppm2 4.481 CV 1 ASSI { 2466} (( segid " " and resid 1718 and name HA )) (( segid " " and resid 1718 and name HB3 )) 2.800 1.000 1.000 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.49744E-02 ppm1 4.122 ppm2 3.969 CV 1 ASSI { 2467} (( segid " " and resid 1718 and name HA )) (( segid " " and resid 1718 and name HB2 )) 2.400 0.700 0.700 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.53537E-02 ppm1 4.121 ppm2 3.919 CV 1 ASSI { 2471} (( segid " " and resid 1718 and name HA )) (( segid " " and resid 1721 and name HD3 )) 3.400 1.400 1.400 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.86009E-03 ppm1 4.120 ppm2 3.160 CV 1 ASSI { 2472} (( segid " " and resid 1718 and name HA )) (( segid " " and resid 1721 and name HG3 )) 3.600 1.700 1.700 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.23907E-02 ppm1 4.122 ppm2 1.836 CV 1 ASSI { 2473} (( segid " " and resid 1718 and name HA )) ( segid " " and resid 1717 and name HB% ) 3.500 1.500 1.500 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 4.124 ppm2 1.460 CV 1 ASSI { 2474} (( segid " " and resid 1718 and name HB2 )) ( segid " " and resid 1717 and name HB% ) 3.500 1.600 1.600 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 3.927 ppm2 1.446 CV 1 ASSI { 2477} (( segid " " and resid 1718 and name HB2 )) (( segid " " and resid 1721 and name HG3 )) 5.100 3.200 0.900 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.56889E-03 ppm1 3.918 ppm2 1.834 CV 1 ASSI { 2478} (( segid " " and resid 1754 and name HB2 )) ( segid " " and resid 1752 and name HG2%) 3.200 1.300 1.300 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.86689E-03 ppm1 3.970 ppm2 1.339 CV 1 ASSI { 2479} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1719 and name H )) 2.200 0.600 0.600 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.91228E-02 ppm1 1.469 ppm2 7.936 CV 1 ASSI { 2480} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1720 and name H )) 2.700 0.900 0.900 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.43852E-02 ppm1 1.469 ppm2 8.356 CV 1 ASSI { 2481} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1718 and name H )) 4.000 2.000 2.000 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 1.470 ppm2 8.905 CV 1 ASSI { 2483} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1719 and name HA )) 2.200 0.600 0.600 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.10318E-01 ppm1 1.468 ppm2 4.224 CV 1 ASSI { 2485} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1726 and name HB2 )) 2.800 1.000 1.000 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.26210E-02 ppm1 1.468 ppm2 2.354 CV 1 ASSI { 2486} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1726 and name HB3 )) 3.000 1.100 1.100 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.36436E-02 ppm1 1.469 ppm2 2.021 CV 1 ASSI { 2487} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1723 and name HB2 )) 2.600 0.900 0.900 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.26345E-02 ppm1 1.467 ppm2 1.857 CV 1 ASSI { 2488} ( segid " " and resid 1719 and name HB% ) ( segid " " and resid 1727 and name HD1%) 2.800 1.000 1.000 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.40974E-02 ppm1 1.467 ppm2 0.817 CV 1 ASSI { 2490} (( segid " " and resid 1720 and name HA )) (( segid " " and resid 1721 and name H )) 3.200 1.200 1.200 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.11513E-02 ppm1 3.837 ppm2 7.612 CV 1 ASSI { 2492} (( segid " " and resid 1720 and name HA )) ( segid " " and resid 1719 and name HB% ) 3.300 1.400 1.400 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.15949E-02 ppm1 3.837 ppm2 1.483 CV 1 ASSI { 2494} (( segid " " and resid 1720 and name HA )) ( segid " " and resid 1727 and name HD1%) 2.500 0.800 0.800 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.42600E-02 ppm1 3.838 ppm2 0.815 CV 1 ASSI { 2496} ( segid " " and resid 1682 and name HB% ) ( segid " " and resid 1762 and name HD2%) 2.200 0.600 0.600 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.15330E-01 ppm1 1.549 ppm2 0.789 CV 1 ASSI { 2497} (( segid " " and resid 1721 and name HB3 )) (( segid " " and resid 1721 and name H )) 2.800 1.000 1.000 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.29528E-02 ppm1 1.827 ppm2 7.609 CV 1 OR { 2497} (( segid " " and resid 1721 and name HB2 )) (( segid " " and resid 1721 and name H )) ASSI { 2498} (( segid " " and resid 1721 and name HB3 )) (( segid " " and resid 1722 and name H )) 3.600 1.600 1.600 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.15272E-02 ppm1 1.824 ppm2 7.346 CV 1 ASSI { 2499} (( segid " " and resid 1721 and name HD2 )) (( segid " " and resid 1721 and name H )) 4.900 3.000 1.100 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.54519E-03 ppm1 3.225 ppm2 7.603 CV 1 ASSI { 2500} (( segid " " and resid 1721 and name HD3 )) (( segid " " and resid 1721 and name H )) 4.600 2.700 1.400 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.59599E-03 ppm1 3.165 ppm2 7.607 CV 1 ASSI { 2501} (( segid " " and resid 1721 and name HG2 )) (( segid " " and resid 1721 and name H )) 2.800 1.000 1.000 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.10735E-02 ppm1 1.556 ppm2 7.609 CV 1 ASSI { 2503} (( segid " " and resid 1721 and name HG2 )) (( segid " " and resid 1721 and name HA )) 3.300 1.400 1.400 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.24787E-02 ppm1 1.553 ppm2 4.140 CV 1 ASSI { 2504} (( segid " " and resid 1721 and name HD2 )) (( segid " " and resid 1718 and name HA )) 3.200 1.300 1.300 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.20419E-02 ppm1 3.218 ppm2 4.133 CV 1 ASSI { 2506} (( segid " " and resid 1721 and name HB3 )) (( segid " " and resid 1721 and name HA )) 2.500 0.800 0.800 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.41685E-02 ppm1 1.826 ppm2 4.141 CV 1 OR { 2506} (( segid " " and resid 1721 and name HB2 )) (( segid " " and resid 1721 and name HA )) ASSI { 2507} (( segid " " and resid 1721 and name HG3 )) (( segid " " and resid 1721 and name HD2 )) 3.000 1.100 1.100 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 1.829 ppm2 3.211 CV 1 ASSI { 2508} (( segid " " and resid 1721 and name HG3 )) (( segid " " and resid 1721 and name HD3 )) 3.200 1.200 1.200 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.14019E-02 ppm1 1.827 ppm2 3.165 CV 1 ASSI { 2511} (( segid " " and resid 1721 and name HD2 )) (( segid " " and resid 1721 and name HD3 )) 1.500 0.300 0.700 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.34276E-01 ppm1 3.218 ppm2 3.166 CV 1 ASSI { 2513} (( segid " " and resid 1721 and name HB2 )) (( segid " " and resid 1721 and name HD3 )) 3.000 1.100 1.100 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.19166E-02 ppm1 1.822 ppm2 3.168 CV 1 OR { 2513} (( segid " " and resid 1721 and name HB3 )) (( segid " " and resid 1721 and name HD3 )) ASSI { 2514} (( segid " " and resid 1721 and name HB3 )) (( segid " " and resid 1721 and name HD2 )) 3.000 1.200 1.200 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 1.831 ppm2 3.213 CV 1 OR { 2514} (( segid " " and resid 1721 and name HB2 )) (( segid " " and resid 1721 and name HD2 )) ASSI { 2515} (( segid " " and resid 1721 and name HA )) (( segid " " and resid 1721 and name HD2 )) 4.900 3.000 1.100 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.50117E-03 ppm1 4.151 ppm2 3.215 CV 1 ASSI { 2516} (( segid " " and resid 1721 and name HA )) (( segid " " and resid 1721 and name HD3 )) 4.800 2.800 1.200 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.55535E-03 ppm1 4.144 ppm2 3.159 CV 1 ASSI { 2517} (( segid " " and resid 1721 and name HD2 )) (( segid " " and resid 1721 and name HG3 )) 2.400 0.700 0.700 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.66879E-02 ppm1 3.218 ppm2 1.831 CV 1 OR { 2517} (( segid " " and resid 1721 and name HD2 )) (( segid " " and resid 1721 and name HB3 )) OR { 2517} (( segid " " and resid 1721 and name HD2 )) (( segid " " and resid 1721 and name HB2 )) ASSI { 2518} (( segid " " and resid 1721 and name HD3 )) (( segid " " and resid 1721 and name HG3 )) 2.500 0.800 0.800 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.63730E-02 ppm1 3.160 ppm2 1.831 CV 1 OR { 2518} (( segid " " and resid 1721 and name HD3 )) (( segid " " and resid 1721 and name HB2 )) OR { 2518} (( segid " " and resid 1721 and name HD3 )) (( segid " " and resid 1721 and name HB3 )) ASSI { 2519} (( segid " " and resid 1721 and name HG2 )) (( segid " " and resid 1721 and name HG3 )) 1.800 0.400 0.400 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.12963E-01 ppm1 1.553 ppm2 1.831 CV 1 OR { 2519} (( segid " " and resid 1721 and name HG2 )) (( segid " " and resid 1721 and name HB3 )) ASSI { 2521} (( segid " " and resid 1721 and name HG3 )) (( segid " " and resid 1721 and name HG2 )) 1.900 0.400 0.400 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.77238E-02 ppm1 1.829 ppm2 1.555 CV 1 ASSI { 2522} (( segid " " and resid 1721 and name HD2 )) (( segid " " and resid 1721 and name HG2 )) 2.700 0.900 0.900 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.35217E-02 ppm1 3.218 ppm2 1.555 CV 1 ASSI { 2523} (( segid " " and resid 1721 and name HD3 )) (( segid " " and resid 1721 and name HG2 )) 2.600 0.800 0.800 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.30307E-02 ppm1 3.158 ppm2 1.555 CV 1 ASSI { 2524} (( segid " " and resid 1721 and name HB2 )) (( segid " " and resid 1721 and name HG2 )) 2.500 0.800 0.800 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.45342E-02 ppm1 1.827 ppm2 1.556 CV 1 OR { 2524} (( segid " " and resid 1721 and name HB3 )) (( segid " " and resid 1721 and name HG2 )) ASSI { 2525} (( segid " " and resid 1721 and name HG3 )) ( segid " " and resid 1796 and name HD2%) 4.000 2.000 2.000 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 1.835 ppm2 0.855 CV 1 ASSI { 2526} (( segid " " and resid 1721 and name HB3 )) ( segid " " and resid 1796 and name HD2%) 3.400 1.500 1.500 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.73822E-03 ppm1 1.817 ppm2 0.853 CV 1 OR { 2526} (( segid " " and resid 1721 and name HB2 )) ( segid " " and resid 1796 and name HD2%) ASSI { 2527} (( segid " " and resid 1722 and name HA )) ( segid " " and resid 1722 and name HB% ) 2.300 0.600 0.600 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.11063E-01 ppm1 4.561 ppm2 1.410 CV 1 ASSI { 2528} ( segid " " and resid 1722 and name HB% ) (( segid " " and resid 1721 and name HG3 )) 2.500 0.800 0.800 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.47001E-02 ppm1 1.410 ppm2 1.841 CV 1 ASSI { 2529} (( segid " " and resid 1722 and name HA )) (( segid " " and resid 1786 and name HG3 )) 2.900 1.100 1.100 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.16153E-02 ppm1 4.558 ppm2 2.150 CV 1 ASSI { 2530} ( segid " " and resid 1722 and name HB% ) (( segid " " and resid 1723 and name HB3 )) 4.000 2.000 2.000 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.13139E-02 ppm1 1.415 ppm2 2.161 CV 1 ASSI { 2531} ( segid " " and resid 1722 and name HB% ) (( segid " " and resid 1723 and name HG3 )) 3.100 1.200 1.200 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.23297E-02 ppm1 1.407 ppm2 2.259 CV 1 OR { 2531} ( segid " " and resid 1722 and name HB% ) (( segid " " and resid 1723 and name HG2 )) ASSI { 2532} (( segid " " and resid 1722 and name HA )) (( segid " " and resid 1784 and name HA2 )) 3.500 1.600 1.600 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.81606E-03 ppm1 4.564 ppm2 3.761 CV 1 OR { 2532} (( segid " " and resid 1722 and name HA )) (( segid " " and resid 1784 and name HA3 )) ASSI { 2533} (( segid " " and resid 1722 and name HA )) (( segid " " and resid 1786 and name HD3 )) 3.900 1.900 1.900 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.38942E-03 ppm1 4.563 ppm2 3.933 CV 1 ASSI { 2534} (( segid " " and resid 1722 and name HA )) (( segid " " and resid 1721 and name HA )) 3.600 1.700 1.700 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.70093E-03 ppm1 4.561 ppm2 4.137 CV 1 ASSI { 2535} (( segid " " and resid 1722 and name HA )) (( segid " " and resid 1786 and name HD2 )) 4.100 2.200 1.900 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.13274E-02 ppm1 4.565 ppm2 4.063 CV 1 ASSI { 2536} ( segid " " and resid 1722 and name HB% ) (( segid " " and resid 1718 and name HA )) 2.900 2.900 3.100 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.11581E-02 ppm1 1.411 ppm2 4.128 CV 1 ASSI { 2537} ( segid " " and resid 1722 and name HB% ) (( segid " " and resid 1719 and name HA )) 3.200 1.300 1.300 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.24246E-02 ppm1 1.405 ppm2 4.224 CV 1 ASSI { 2539} ( segid " " and resid 1722 and name HB% ) (( segid " " and resid 1722 and name H )) 2.500 0.800 0.800 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.74094E-02 ppm1 1.407 ppm2 7.350 CV 1 ASSI { 2540} (( segid " " and resid 1722 and name HA )) (( segid " " and resid 1722 and name H )) 2.600 0.800 0.800 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.39044E-02 ppm1 4.562 ppm2 7.350 CV 1 ASSI { 2541} (( segid " " and resid 1722 and name HA )) (( segid " " and resid 1721 and name H )) 4.700 2.700 1.300 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.40974E-03 ppm1 4.558 ppm2 7.605 CV 1 ASSI { 2542} ( segid " " and resid 1722 and name HB% ) (( segid " " and resid 1721 and name H )) 3.900 1.900 1.900 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.12631E-02 ppm1 1.405 ppm2 7.606 CV 1 ASSI { 2543} ( segid " " and resid 1722 and name HB% ) (( segid " " and resid 1723 and name H )) 2.800 1.000 1.000 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.35759E-02 ppm1 1.409 ppm2 8.947 CV 1 ASSI { 2544} (( segid " " and resid 1722 and name HA )) (( segid " " and resid 1723 and name H )) 3.300 1.300 1.300 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.19641E-02 ppm1 4.563 ppm2 8.947 CV 1 ASSI { 2546} (( segid " " and resid 1723 and name HA )) (( segid " " and resid 1723 and name H )) 2.900 1.000 1.000 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.20284E-02 ppm1 4.844 ppm2 8.947 CV 1 ASSI { 2550} (( segid " " and resid 1723 and name HB3 )) (( segid " " and resid 1719 and name HA )) 4.100 2.100 1.900 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.18489E-02 ppm1 2.155 ppm2 4.228 CV 1 ASSI { 2551} (( segid " " and resid 1723 and name HA )) (( segid " " and resid 1719 and name HA )) 5.500 3.800 0.500 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.24042E-03 ppm1 4.840 ppm2 4.214 CV 1 ASSI { 2553} (( segid " " and resid 1723 and name HA )) (( segid " " and resid 1723 and name HB3 )) 2.600 0.900 0.900 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.31831E-02 ppm1 4.841 ppm2 2.156 CV 1 ASSI { 2554} (( segid " " and resid 1723 and name HA )) (( segid " " and resid 1723 and name HB2 )) 3.000 1.100 1.100 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.30172E-02 ppm1 4.842 ppm2 1.863 CV 1 ASSI { 2555} (( segid " " and resid 1723 and name HB3 )) (( segid " " and resid 1723 and name HB2 )) 1.900 0.400 0.400 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.96474E-02 ppm1 2.159 ppm2 1.865 CV 1 ASSI { 2556} (( segid " " and resid 1723 and name HB3 )) (( segid " " and resid 1723 and name HG3 )) 2.500 0.800 0.800 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.65050E-02 ppm1 2.159 ppm2 2.255 CV 1 OR { 2556} (( segid " " and resid 1723 and name HB3 )) (( segid " " and resid 1723 and name HG2 )) ASSI { 2559} ( segid " " and resid 1724 and name HB% ) (( segid " " and resid 1724 and name H )) 2.300 0.700 0.700 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.82729E-02 ppm1 1.587 ppm2 8.810 CV 1 ASSI { 2561} (( segid " " and resid 1724 and name HA )) (( segid " " and resid 1726 and name H )) 3.400 1.400 1.400 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.19403E-02 ppm1 3.913 ppm2 7.732 CV 1 ASSI { 2562} ( segid " " and resid 1724 and name HB% ) (( segid " " and resid 1726 and name H )) 4.100 2.100 1.900 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.86009E-03 ppm1 1.594 ppm2 7.740 CV 1 ASSI { 2563} ( segid " " and resid 1724 and name HB% ) (( segid " " and resid 1723 and name HA )) 3.600 1.600 1.600 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.11276E-02 ppm1 1.587 ppm2 4.847 CV 1 ASSI { 2564} (( segid " " and resid 1724 and name HA )) (( segid " " and resid 1723 and name HA )) 4.100 2.100 1.900 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.58244E-03 ppm1 3.909 ppm2 4.841 CV 1 ASSI { 2565} (( segid " " and resid 1724 and name HA )) (( segid " " and resid 1784 and name HA3 )) 2.800 1.000 1.000 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.30443E-02 ppm1 3.915 ppm2 3.767 CV 1 ASSI { 2566} (( segid " " and resid 1724 and name HA )) (( segid " " and resid 1727 and name HB3 )) 2.600 0.800 0.800 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.17880E-02 ppm1 3.914 ppm2 1.976 CV 1 ASSI { 2567} ( segid " " and resid 1724 and name HB% ) (( segid " " and resid 1656 and name HB2 )) 2.600 0.800 0.800 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.22722E-02 ppm1 1.590 ppm2 1.866 CV 1 ASSI { 2568} ( segid " " and resid 1724 and name HB% ) (( segid " " and resid 1656 and name HG3 )) 3.700 1.700 1.700 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.37554E-02 ppm1 1.585 ppm2 2.131 CV 1 ASSI { 2569} (( segid " " and resid 1724 and name HA )) ( segid " " and resid 1724 and name HB% ) 2.100 0.500 0.500 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.10951E-01 ppm1 3.915 ppm2 1.586 CV 1 ASSI { 2570} (( segid " " and resid 1724 and name HA )) (( segid " " and resid 1727 and name HB2 )) 3.800 1.800 1.800 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.18286E-02 ppm1 3.916 ppm2 1.213 CV 1 ASSI { 2571} (( segid " " and resid 1724 and name HA )) ( segid " " and resid 1727 and name HD2%) 2.900 1.100 1.100 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.13342E-02 ppm1 3.912 ppm2 0.760 CV 1 ASSI { 2572} (( segid " " and resid 1726 and name HA )) (( segid " " and resid 1726 and name H )) 2.800 1.000 1.000 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.30036E-02 ppm1 4.524 ppm2 7.741 CV 1 ASSI { 2574} (( segid " " and resid 1726 and name HA )) (( segid " " and resid 1729 and name H )) 3.300 1.400 1.400 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.10057E-02 ppm1 4.531 ppm2 7.925 CV 1 ASSI { 2575} (( segid " " and resid 1726 and name HB3 )) (( segid " " and resid 1726 and name H )) 3.600 1.600 1.600 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.17439E-02 ppm1 2.022 ppm2 7.743 CV 1 ASSI { 2576} (( segid " " and resid 1726 and name HB2 )) (( segid " " and resid 1726 and name H )) 2.900 1.100 1.100 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.12935E-02 ppm1 2.351 ppm2 7.740 CV 1 ASSI { 2577} (( segid " " and resid 1726 and name HG2 )) (( segid " " and resid 1726 and name H )) 3.500 1.500 1.500 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.17609E-02 ppm1 2.354 ppm2 7.747 CV 1 ASSI { 2578} (( segid " " and resid 1726 and name HA )) (( segid " " and resid 1729 and name HD2 )) 3.700 1.700 1.700 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.65016E-03 ppm1 4.533 ppm2 7.077 CV 1 ASSI { 2579} (( segid " " and resid 1801 and name HG3 )) (( segid " " and resid 1801 and name HE22)) 4.100 2.100 1.900 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 2.461 ppm2 6.783 CV 1 OR { 2579} (( segid " " and resid 1801 and name HG2 )) (( segid " " and resid 1801 and name HE22)) ASSI { 2583} (( segid " " and resid 1770 and name HB3 )) (( segid " " and resid 1770 and name HA )) 2.700 0.900 0.900 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.26074E-02 ppm1 2.059 ppm2 3.961 CV 1 ASSI { 2584} (( segid " " and resid 1770 and name HB2 )) (( segid " " and resid 1770 and name HA )) 3.200 1.300 1.300 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.19200E-02 ppm1 2.269 ppm2 3.964 CV 1 ASSI { 2585} (( segid " " and resid 1726 and name HA )) (( segid " " and resid 1729 and name HB2 )) 3.000 1.200 1.200 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.13985E-02 ppm1 4.527 ppm2 3.236 CV 1 ASSI { 2586} (( segid " " and resid 1726 and name HA )) (( segid " " and resid 1729 and name HB3 )) 3.800 1.800 1.800 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 4.523 ppm2 3.193 CV 1 ASSI { 2587} (( segid " " and resid 1726 and name HB2 )) (( segid " " and resid 1730 and name HE2 )) 4.500 2.600 1.500 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.53842E-03 ppm1 2.351 ppm2 2.932 CV 1 ASSI { 2588} (( segid " " and resid 1726 and name HG3 )) (( segid " " and resid 1730 and name HE2 )) 4.500 2.500 1.500 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 2.474 ppm2 2.952 CV 1 ASSI { 2589} (( segid " " and resid 1726 and name HA )) (( segid " " and resid 1726 and name HG3 )) 3.300 1.300 1.300 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 4.525 ppm2 2.474 CV 1 ASSI { 2590} (( segid " " and resid 1726 and name HA )) (( segid " " and resid 1726 and name HG2 )) 2.500 0.800 0.800 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.66405E-02 ppm1 4.526 ppm2 2.354 CV 1 OR { 2590} (( segid " " and resid 1726 and name HA )) (( segid " " and resid 1726 and name HB2 )) ASSI { 2591} (( segid " " and resid 1726 and name HA )) (( segid " " and resid 1726 and name HB3 )) 2.700 0.900 0.900 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 4.526 ppm2 2.024 CV 1 ASSI { 2593} (( segid " " and resid 1726 and name HB3 )) (( segid " " and resid 1726 and name HB2 )) 1.900 0.500 0.500 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.93936E-02 ppm1 2.021 ppm2 2.353 CV 1 OR { 2593} (( segid " " and resid 1726 and name HB3 )) (( segid " " and resid 1726 and name HG2 )) ASSI { 2594} (( segid " " and resid 1726 and name HB2 )) (( segid " " and resid 1726 and name HG3 )) 2.400 0.700 0.700 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.47340E-02 ppm1 2.353 ppm2 2.473 CV 1 ASSI { 2595} (( segid " " and resid 1726 and name HG2 )) (( segid " " and resid 1726 and name HG3 )) 1.800 0.400 0.400 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.18096E-01 ppm1 2.354 ppm2 2.473 CV 1 ASSI { 2596} (( segid " " and resid 1726 and name HB2 )) (( segid " " and resid 1726 and name HB3 )) 1.900 0.500 0.500 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.77646E-02 ppm1 2.353 ppm2 2.022 CV 1 ASSI { 2597} (( segid " " and resid 1726 and name HG2 )) (( segid " " and resid 1726 and name HB3 )) 2.300 0.600 0.600 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.70331E-02 ppm1 2.353 ppm2 2.021 CV 1 ASSI { 2598} (( segid " " and resid 1726 and name HG3 )) (( segid " " and resid 1726 and name HB3 )) 2.700 0.900 0.900 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.64610E-02 ppm1 2.478 ppm2 2.022 CV 1 ASSI { 2600} (( segid " " and resid 1726 and name HA )) ( segid " " and resid 1719 and name HB% ) 4.200 2.300 1.800 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.72801E-03 ppm1 4.520 ppm2 1.463 CV 1 ASSI { 2603} (( segid " " and resid 1726 and name HG3 )) ( segid " " and resid 1719 and name HB% ) 3.900 1.900 1.900 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.11276E-02 ppm1 2.479 ppm2 1.460 CV 1 ASSI { 2609} (( segid " " and resid 1727 and name HA )) (( segid " " and resid 1727 and name HB2 )) 2.400 0.700 0.700 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.26311E-02 ppm1 3.860 ppm2 1.211 CV 1 ASSI { 2610} (( segid " " and resid 1727 and name HA )) (( segid " " and resid 1727 and name HG )) 3.000 1.100 1.100 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.18625E-02 ppm1 3.855 ppm2 1.355 CV 1 ASSI { 2611} (( segid " " and resid 1727 and name HA )) ( segid " " and resid 1719 and name HB% ) 2.400 0.700 0.700 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.57939E-02 ppm1 3.863 ppm2 1.470 CV 1 ASSI { 2612} (( segid " " and resid 1727 and name HB2 )) (( segid " " and resid 1727 and name HG )) 2.900 1.100 1.100 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.25871E-02 ppm1 1.214 ppm2 1.355 CV 1 ASSI { 2613} (( segid " " and resid 1727 and name HB2 )) ( segid " " and resid 1719 and name HB% ) 3.100 1.200 1.200 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.96168E-03 ppm1 1.214 ppm2 1.463 CV 1 ASSI { 2614} (( segid " " and resid 1727 and name HB3 )) (( segid " " and resid 1727 and name HB2 )) 2.000 0.500 0.500 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.44631E-02 ppm1 1.975 ppm2 1.212 CV 1 ASSI { 2617} ( segid " " and resid 1727 and name HD1%) (( segid " " and resid 1727 and name HG )) 2.000 0.500 0.500 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.14811E-01 ppm1 0.816 ppm2 1.353 CV 1 ASSI { 2618} ( segid " " and resid 1727 and name HD1%) (( segid " " and resid 1727 and name HB2 )) 2.200 0.600 0.600 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.58583E-02 ppm1 0.815 ppm2 1.213 CV 1 ASSI { 2619} ( segid " " and resid 1727 and name HD1%) ( segid " " and resid 1731 and name HG2%) 2.300 0.600 0.600 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.67014E-02 ppm1 0.816 ppm2 1.099 CV 1 ASSI { 2620} ( segid " " and resid 1727 and name HD2%) ( segid " " and resid 1720 and name HB% ) 2.600 0.900 0.900 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.10738E-01 ppm1 0.772 ppm2 1.562 CV 1 ASSI { 2621} ( segid " " and resid 1727 and name HD2%) ( segid " " and resid 1719 and name HB% ) 3.800 1.800 1.800 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.16254E-02 ppm1 0.761 ppm2 1.462 CV 1 ASSI { 2622} ( segid " " and resid 1727 and name HD2%) (( segid " " and resid 1727 and name HG )) 2.000 0.500 0.500 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.12973E-01 ppm1 0.760 ppm2 1.354 CV 1 ASSI { 2623} ( segid " " and resid 1727 and name HD2%) (( segid " " and resid 1727 and name HB2 )) 2.500 0.800 0.800 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.48492E-02 ppm1 0.762 ppm2 1.216 CV 1 ASSI { 2624} ( segid " " and resid 1727 and name HD2%) ( segid " " and resid 1731 and name HG2%) 3.100 1.200 1.200 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.41312E-02 ppm1 0.758 ppm2 1.097 CV 1 ASSI { 2626} (( segid " " and resid 1727 and name HG )) ( segid " " and resid 1731 and name HG2%) 3.100 1.200 1.200 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.16187E-02 ppm1 1.358 ppm2 1.097 CV 1 ASSI { 2627} (( segid " " and resid 1727 and name HG )) (( segid " " and resid 1727 and name HB3 )) 2.600 0.900 0.900 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.22519E-02 ppm1 1.355 ppm2 1.976 CV 1 ASSI { 2628} ( segid " " and resid 1727 and name HD1%) (( segid " " and resid 1727 and name HB3 )) 3.200 1.300 1.300 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 0.813 ppm2 1.977 CV 1 ASSI { 2631} ( segid " " and resid 1727 and name HD2%) (( segid " " and resid 1783 and name HA2 )) 2.300 0.700 0.700 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.47679E-02 ppm1 0.758 ppm2 3.646 CV 1 ASSI { 2633} ( segid " " and resid 1727 and name HD2%) (( segid " " and resid 1720 and name HA )) 2.100 0.500 0.500 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.89228E-02 ppm1 0.760 ppm2 3.841 CV 1 ASSI { 2634} ( segid " " and resid 1727 and name HD2%) (( segid " " and resid 1657 and name HA3 )) 2.200 0.600 0.600 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.64610E-02 ppm1 0.775 ppm2 4.127 CV 1 ASSI { 2637} ( segid " " and resid 1796 and name HD1%) (( segid " " and resid 1779 and name HA )) 2.400 0.700 0.700 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.51065E-02 ppm1 0.810 ppm2 3.954 CV 1 ASSI { 2638} ( segid " " and resid 1727 and name HD1%) (( segid " " and resid 1727 and name HA )) 2.100 0.500 0.500 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.11902E-01 ppm1 0.817 ppm2 3.853 CV 1 ASSI { 2641} (( segid " " and resid 1727 and name HG )) (( segid " " and resid 1657 and name HA3 )) 4.300 2.300 1.700 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.45038E-03 ppm1 1.358 ppm2 4.118 CV 1 ASSI { 2642} (( segid " " and resid 1727 and name HG )) (( segid " " and resid 1726 and name H )) 4.700 2.700 1.300 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.64678E-03 ppm1 1.356 ppm2 7.734 CV 1 ASSI { 2643} ( segid " " and resid 1727 and name HD2%) (( segid " " and resid 1727 and name H )) 4.200 2.200 1.800 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 0.762 ppm2 7.726 CV 1 ASSI { 2644} ( segid " " and resid 1727 and name HD1%) (( segid " " and resid 1727 and name H )) 4.100 2.100 1.900 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 0.818 ppm2 7.724 CV 1 ASSI { 2647} (( segid " " and resid 1727 and name HA )) (( segid " " and resid 1727 and name H )) 2.600 0.800 0.800 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.28241E-02 ppm1 3.860 ppm2 7.727 CV 1 ASSI { 2648} (( segid " " and resid 1727 and name HA )) (( segid " " and resid 1730 and name H )) 3.900 1.900 1.900 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 3.860 ppm2 7.923 CV 1 ASSI { 2650} (( segid " " and resid 1727 and name HA )) (( segid " " and resid 1728 and name H )) 3.500 1.500 1.500 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.72801E-03 ppm1 3.859 ppm2 8.886 CV 1 ASSI { 2651} (( segid " " and resid 1727 and name HB2 )) (( segid " " and resid 1728 and name H )) 4.300 2.300 1.700 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.70433E-03 ppm1 1.209 ppm2 8.879 CV 1 ASSI { 2652} ( segid " " and resid 1727 and name HD1%) (( segid " " and resid 1728 and name H )) 4.400 2.400 1.600 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.55196E-03 ppm1 0.816 ppm2 8.889 CV 1 ASSI { 2654} (( segid " " and resid 1728 and name HA3 )) (( segid " " and resid 1728 and name H )) 2.600 0.800 0.800 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.34506E-02 ppm1 3.808 ppm2 8.884 CV 1 ASSI { 2655} (( segid " " and resid 1728 and name HA2 )) (( segid " " and resid 1729 and name H )) 3.800 1.800 1.800 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.64678E-03 ppm1 3.570 ppm2 7.922 CV 1 ASSI { 2657} (( segid " " and resid 1728 and name HA2 )) (( segid " " and resid 1731 and name H )) 3.600 1.700 1.700 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.46392E-03 ppm1 3.578 ppm2 8.497 CV 1 ASSI { 2658} (( segid " " and resid 1728 and name HA2 )) (( segid " " and resid 1657 and name HA3 )) 4.200 2.200 1.800 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.61969E-03 ppm1 3.582 ppm2 4.121 CV 1 ASSI { 2659} (( segid " " and resid 1728 and name HA3 )) (( segid " " and resid 1657 and name HA3 )) 3.100 3.100 2.900 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.72801E-03 ppm1 3.814 ppm2 4.117 CV 1 ASSI { 2660} (( segid " " and resid 1728 and name HA2 )) (( segid " " and resid 1728 and name HA3 )) 2.100 0.500 0.500 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.60581E-02 ppm1 3.580 ppm2 3.810 CV 1 ASSI { 2664} (( segid " " and resid 1728 and name HA3 )) (( segid " " and resid 1731 and name HB )) 4.300 2.400 1.700 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.90412E-03 ppm1 3.808 ppm2 2.140 CV 1 ASSI { 2665} (( segid " " and resid 1728 and name HA2 )) (( segid " " and resid 1731 and name HB )) 3.000 1.100 1.100 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.13308E-02 ppm1 3.579 ppm2 2.143 CV 1 ASSI { 2666} (( segid " " and resid 1728 and name HA2 )) (( segid " " and resid 1660 and name HB2 )) 3.000 1.100 1.100 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.11412E-02 ppm1 3.585 ppm2 2.087 CV 1 ASSI { 2668} (( segid " " and resid 1728 and name HA3 )) (( segid " " and resid 1660 and name HG3 )) 4.000 2.000 2.000 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.55535E-03 ppm1 3.805 ppm2 2.244 CV 1 ASSI { 2669} (( segid " " and resid 1728 and name HA3 )) (( segid " " and resid 1660 and name HB3 )) 4.700 2.700 1.300 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.49101E-03 ppm1 3.803 ppm2 1.857 CV 1 ASSI { 2670} (( segid " " and resid 1728 and name HA2 )) (( segid " " and resid 1660 and name HB3 )) 3.400 1.500 1.500 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.77204E-03 ppm1 3.571 ppm2 1.866 CV 1 ASSI { 2672} (( segid " " and resid 1728 and name HA2 )) ( segid " " and resid 1731 and name HG1%) 4.100 2.100 1.900 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.64339E-03 ppm1 3.583 ppm2 0.929 CV 1 ASSI { 2673} (( segid " " and resid 1728 and name HA3 )) ( segid " " and resid 1731 and name HG2%) 4.400 2.400 1.600 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.84655E-03 ppm1 3.813 ppm2 1.099 CV 1 ASSI { 2674} (( segid " " and resid 1728 and name HA3 )) ( segid " " and resid 1731 and name HG1%) 5.200 3.400 0.800 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.39281E-03 ppm1 3.814 ppm2 0.943 CV 1 ASSI { 2678} (( segid " " and resid 1729 and name HB3 )) (( segid " " and resid 1729 and name HD2 )) 3.800 1.800 1.800 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.63662E-03 ppm1 3.180 ppm2 7.082 CV 1 ASSI { 2679} (( segid " " and resid 1729 and name HA )) (( segid " " and resid 1729 and name HD2 )) 4.100 2.100 1.900 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.39281E-03 ppm1 4.473 ppm2 7.071 CV 1 ASSI { 2682} (( segid " " and resid 1729 and name HA )) (( segid " " and resid 1732 and name HB2 )) 3.000 1.100 1.100 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.20487E-02 ppm1 4.481 ppm2 4.000 CV 1 ASSI { 2684} (( segid " " and resid 1729 and name HA )) (( segid " " and resid 1730 and name HA )) 4.100 2.100 1.900 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.42328E-03 ppm1 4.481 ppm2 4.174 CV 1 ASSI { 2685} (( segid " " and resid 1729 and name HB2 )) (( segid " " and resid 1726 and name HG2 )) 4.200 2.200 1.800 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.48424E-03 ppm1 3.237 ppm2 2.355 CV 1 OR { 2685} (( segid " " and resid 1729 and name HB2 )) (( segid " " and resid 1726 and name HB2 )) ASSI { 2686} (( segid " " and resid 1729 and name HB3 )) (( segid " " and resid 1726 and name HG2 )) 4.800 2.800 1.200 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.44360E-03 ppm1 3.191 ppm2 2.355 CV 1 OR { 2686} (( segid " " and resid 1729 and name HB3 )) (( segid " " and resid 1726 and name HB2 )) ASSI { 2687} (( segid " " and resid 1729 and name HB3 )) (( segid " " and resid 1730 and name HG2 )) 4.600 2.600 1.400 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.60615E-03 ppm1 3.189 ppm2 1.748 CV 1 ASSI { 2688} (( segid " " and resid 1729 and name HB2 )) (( segid " " and resid 1730 and name HG3 )) 5.100 3.200 0.900 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.37587E-03 ppm1 3.253 ppm2 1.468 CV 1 ASSI { 2689} ( segid " " and resid 1731 and name HG2%) (( segid " " and resid 1731 and name H )) 2.200 0.600 0.600 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.74060E-02 ppm1 1.096 ppm2 8.498 CV 1 ASSI { 2690} ( segid " " and resid 1731 and name HG1%) (( segid " " and resid 1731 and name H )) 3.400 1.400 1.400 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.34167E-02 ppm1 0.934 ppm2 8.500 CV 1 ASSI { 2693} (( segid " " and resid 1731 and name HA )) (( segid " " and resid 1735 and name H )) 3.800 1.800 1.800 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.61292E-03 ppm1 3.688 ppm2 8.293 CV 1 ASSI { 2694} (( segid " " and resid 1731 and name HA )) (( segid " " and resid 1732 and name H )) 3.000 1.200 1.200 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.19200E-02 ppm1 3.691 ppm2 7.977 CV 1 ASSI { 2696} ( segid " " and resid 1731 and name HG1%) (( segid " " and resid 1732 and name H )) 3.200 1.300 1.300 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.23095E-02 ppm1 0.933 ppm2 7.986 CV 1 ASSI { 2697} ( segid " " and resid 1731 and name HG2%) (( segid " " and resid 1732 and name H )) 3.300 1.400 1.400 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.40195E-02 ppm1 1.095 ppm2 7.989 CV 1 ASSI { 2698} ( segid " " and resid 1731 and name HG2%) (( segid " " and resid 1730 and name H )) 3.800 1.800 1.800 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.12123E-02 ppm1 1.091 ppm2 7.918 CV 1 ASSI { 2699} ( segid " " and resid 1746 and name HG1%) (( segid " " and resid 1678 and name H )) 2.900 2.900 3.100 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.11988E-02 ppm1 1.040 ppm2 8.095 CV 1 ASSI { 2700} ( segid " " and resid 1746 and name HG1%) (( segid " " and resid 1747 and name H )) 3.400 1.500 1.500 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.18116E-02 ppm1 1.040 ppm2 8.043 CV 1 ASSI { 2701} (( segid " " and resid 1660 and name HB3 )) (( segid " " and resid 1731 and name H )) 4.400 2.500 1.600 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.42328E-03 ppm1 1.872 ppm2 8.482 CV 1 ASSI { 2703} ( segid " " and resid 1731 and name HG1%) (( segid " " and resid 1731 and name HA )) 2.400 0.700 0.700 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.59429E-02 ppm1 0.934 ppm2 3.689 CV 1 ASSI { 2704} ( segid " " and resid 1731 and name HG2%) (( segid " " and resid 1731 and name HA )) 2.400 0.700 0.700 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.71148E-02 ppm1 1.096 ppm2 3.690 CV 1 ASSI { 2705} ( segid " " and resid 1731 and name HG2%) (( segid " " and resid 1728 and name HA2 )) 2.800 1.000 1.000 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.25228E-02 ppm1 1.094 ppm2 3.586 CV 1 ASSI { 2706} ( segid " " and resid 1731 and name HG2%) (( segid " " and resid 1776 and name HA )) 3.100 1.200 1.200 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.20318E-02 ppm1 1.097 ppm2 3.952 CV 1 ASSI { 2708} ( segid " " and resid 1731 and name HG2%) (( segid " " and resid 1661 and name HA )) 2.900 1.100 1.100 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.36131E-02 ppm1 1.097 ppm2 4.129 CV 1 ASSI { 2709} ( segid " " and resid 1731 and name HG1%) (( segid " " and resid 1661 and name HA )) 2.200 0.600 0.600 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.67556E-02 ppm1 0.934 ppm2 4.129 CV 1 ASSI { 2712} ( segid " " and resid 1731 and name HG2%) (( segid " " and resid 1731 and name HB )) 2.200 0.600 0.600 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.92548E-02 ppm1 1.096 ppm2 2.146 CV 1 ASSI { 2713} ( segid " " and resid 1731 and name HG2%) (( segid " " and resid 1776 and name HG )) 3.900 1.900 1.900 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.12529E-02 ppm1 1.089 ppm2 1.962 CV 1 ASSI { 2714} ( segid " " and resid 1731 and name HG2%) (( segid " " and resid 1660 and name HB3 )) 3.400 1.400 1.400 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.17473E-02 ppm1 1.098 ppm2 1.873 CV 1 ASSI { 2715} ( segid " " and resid 1746 and name HG1%) (( segid " " and resid 1746 and name HB )) 2.200 0.600 0.600 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.10680E-01 ppm1 1.040 ppm2 2.091 CV 1 ASSI { 2716} (( segid " " and resid 1731 and name HA )) (( segid " " and resid 1716 and name HG )) 4.100 2.100 1.900 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.63662E-03 ppm1 3.692 ppm2 1.542 CV 1 ASSI { 2718} ( segid " " and resid 1731 and name HG1%) ( segid " " and resid 1664 and name HB% ) 2.100 0.500 0.500 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.11693E-01 ppm1 0.934 ppm2 1.433 CV 1 ASSI { 2719} ( segid " " and resid 1731 and name HG2%) (( segid " " and resid 1716 and name HG )) 2.800 1.000 1.000 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.33626E-02 ppm1 1.098 ppm2 1.542 CV 1 ASSI { 2720} ( segid " " and resid 1731 and name HG2%) ( segid " " and resid 1664 and name HB% ) 3.400 1.400 1.400 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.43683E-02 ppm1 1.098 ppm2 1.433 CV 1 ASSI { 2723} (( segid " " and resid 1731 and name HB )) ( segid " " and resid 1731 and name HG1%) 2.400 0.700 0.700 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.44631E-02 ppm1 2.147 ppm2 0.933 CV 1 ASSI { 2726} ( segid " " and resid 1731 and name HG2%) ( segid " " and resid 1731 and name HG1%) 2.100 0.500 0.500 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.14358E-01 ppm1 1.097 ppm2 0.929 CV 1 ASSI { 2727} ( segid " " and resid 1731 and name HG2%) ( segid " " and resid 1716 and name HD1%) 2.100 0.500 0.500 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.11672E-01 ppm1 1.097 ppm2 0.895 CV 1 ASSI { 2730} (( segid " " and resid 1732 and name HA )) (( segid " " and resid 1732 and name HB2 )) 2.400 0.700 0.700 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.70263E-02 ppm1 4.174 ppm2 3.998 CV 1 ASSI { 2731} (( segid " " and resid 1732 and name HA )) (( segid " " and resid 1732 and name HB3 )) 2.600 0.800 0.800 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.58718E-02 ppm1 4.174 ppm2 3.935 CV 1 ASSI { 2732} (( segid " " and resid 1732 and name HA )) ( segid " " and resid 1735 and name HB% ) 2.600 0.800 0.800 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.52995E-02 ppm1 4.173 ppm2 1.438 CV 1 ASSI { 2733} (( segid " " and resid 1754 and name HB3 )) ( segid " " and resid 1752 and name HG2%) 4.100 2.100 1.900 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.12089E-02 ppm1 3.843 ppm2 1.339 CV 1 ASSI { 2734} (( segid " " and resid 1732 and name HA )) ( segid " " and resid 1731 and name HG1%) 3.300 1.300 1.300 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.12157E-02 ppm1 4.172 ppm2 0.935 CV 1 ASSI { 2737} (( segid " " and resid 1735 and name HA )) (( segid " " and resid 1734 and name HG2 )) 3.600 1.600 1.600 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.52148E-03 ppm1 3.563 ppm2 2.500 CV 1 ASSI { 2738} (( segid " " and resid 1735 and name HA )) ( segid " " and resid 1738 and name HE% ) 4.100 2.100 1.900 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.66371E-03 ppm1 3.561 ppm2 7.063 CV 1 ASSI { 2739} (( segid " " and resid 1735 and name HA )) (( segid " " and resid 1736 and name H )) 3.200 1.200 1.200 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.15611E-02 ppm1 3.558 ppm2 7.348 CV 1 ASSI { 2740} (( segid " " and resid 1735 and name HA )) ( segid " " and resid 1738 and name HD% ) 2.900 1.100 1.100 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.19538E-02 ppm1 3.557 ppm2 7.280 CV 1 ASSI { 2741} (( segid " " and resid 1735 and name HA )) (( segid " " and resid 1738 and name H )) 3.400 1.400 1.400 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.10565E-02 ppm1 3.558 ppm2 7.623 CV 1 ASSI { 2742} (( segid " " and resid 1735 and name HA )) (( segid " " and resid 1734 and name H )) 4.600 2.600 1.400 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.44360E-03 ppm1 3.556 ppm2 7.958 CV 1 ASSI { 2743} (( segid " " and resid 1735 and name HA )) (( segid " " and resid 1735 and name H )) 2.700 0.900 0.900 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.29867E-02 ppm1 3.560 ppm2 8.298 CV 1 ASSI { 2744} ( segid " " and resid 1735 and name HB% ) (( segid " " and resid 1736 and name H )) 2.500 0.800 0.800 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.45613E-02 ppm1 1.439 ppm2 7.356 CV 1 ASSI { 2745} ( segid " " and resid 1735 and name HB% ) ( segid " " and resid 1668 and name HD1%) 3.700 1.700 1.700 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 1.441 ppm2 0.234 CV 1 ASSI { 2746} (( segid " " and resid 1736 and name HG2 )) (( segid " " and resid 1736 and name H )) 3.300 1.400 1.400 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.20487E-02 ppm1 1.805 ppm2 7.353 CV 1 ASSI { 2748} (( segid " " and resid 1736 and name HG2 )) (( segid " " and resid 1736 and name HA )) 3.600 1.600 1.600 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.13680E-02 ppm1 1.805 ppm2 4.081 CV 1 ASSI { 2749} (( segid " " and resid 1736 and name HG2 )) (( segid " " and resid 1733 and name HA )) 3.900 1.900 1.900 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.96849E-03 ppm1 1.801 ppm2 3.930 CV 1 ASSI { 2750} (( segid " " and resid 1736 and name HB3 )) (( segid " " and resid 1733 and name HA )) 3.000 1.100 1.100 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.10497E-02 ppm1 1.799 ppm2 3.931 CV 1 ASSI { 2751} (( segid " " and resid 1736 and name HB2 )) (( segid " " and resid 1733 and name HA )) 4.000 2.000 2.000 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.13308E-02 ppm1 1.917 ppm2 3.931 CV 1 ASSI { 2752} (( segid " " and resid 1736 and name HA )) (( segid " " and resid 1736 and name HG3 )) 3.000 1.100 1.100 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.30036E-02 ppm1 4.083 ppm2 2.214 CV 1 ASSI { 2754} (( segid " " and resid 1736 and name HB3 )) (( segid " " and resid 1736 and name HG3 )) 3.000 1.100 1.100 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.40568E-02 ppm1 1.796 ppm2 2.217 CV 1 ASSI { 2755} (( segid " " and resid 1736 and name HB3 )) (( segid " " and resid 1736 and name HB2 )) 1.800 0.400 0.400 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.11073E-01 ppm1 1.794 ppm2 1.917 CV 1 ASSI { 2756} (( segid " " and resid 1736 and name HB2 )) (( segid " " and resid 1736 and name HB3 )) 1.800 0.400 0.400 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.14114E-01 ppm1 1.919 ppm2 1.794 CV 1 OR { 2756} (( segid " " and resid 1736 and name HB2 )) (( segid " " and resid 1736 and name HG2 )) ASSI { 2757} (( segid " " and resid 1736 and name HG2 )) (( segid " " and resid 1736 and name HB2 )) 2.800 1.000 1.000 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.52284E-02 ppm1 1.806 ppm2 1.914 CV 1 ASSI { 2759} (( segid " " and resid 1737 and name HA )) (( segid " " and resid 1737 and name H )) 2.700 0.900 0.900 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.28851E-02 ppm1 4.353 ppm2 7.334 CV 1 ASSI { 2761} (( segid " " and resid 1785 and name HB3 )) (( segid " " and resid 1785 and name H )) 2.700 0.900 0.900 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.33660E-02 ppm1 3.082 ppm2 7.651 CV 1 ASSI { 2762} (( segid " " and resid 1737 and name HB2 )) (( segid " " and resid 1737 and name H )) 2.800 1.000 1.000 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.14222E-02 ppm1 3.094 ppm2 7.337 CV 1 ASSI { 2763} (( segid " " and resid 1737 and name HA )) (( segid " " and resid 1738 and name H )) 3.400 1.400 1.400 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.93800E-03 ppm1 4.356 ppm2 7.628 CV 1 ASSI { 2764} (( segid " " and resid 1737 and name HB3 )) (( segid " " and resid 1738 and name H )) 4.300 2.300 1.700 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.42667E-03 ppm1 2.637 ppm2 7.629 CV 1 ASSI { 2765} (( segid " " and resid 1737 and name HA )) ( segid " " and resid 1737 and name HE% ) 4.900 2.900 1.100 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.49778E-03 ppm1 4.345 ppm2 6.753 CV 1 ASSI { 2768} (( segid " " and resid 1737 and name HA )) (( segid " " and resid 1740 and name HD2 )) 2.600 0.800 0.800 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.25973E-02 ppm1 4.353 ppm2 3.936 CV 1 ASSI { 2769} (( segid " " and resid 1737 and name HA )) (( segid " " and resid 1740 and name HD3 )) 3.500 1.500 1.500 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 4.356 ppm2 3.672 CV 1 ASSI { 2770} (( segid " " and resid 1737 and name HB3 )) (( segid " " and resid 1737 and name HB2 )) 2.100 0.500 0.500 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.41075E-02 ppm1 2.638 ppm2 3.092 CV 1 ASSI { 2771} (( segid " " and resid 1737 and name HA )) (( segid " " and resid 1737 and name HB2 )) 3.000 1.100 1.100 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.27056E-02 ppm1 4.355 ppm2 3.093 CV 1 ASSI { 2772} (( segid " " and resid 1737 and name HA )) (( segid " " and resid 1737 and name HB3 )) 2.700 0.900 0.900 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.19403E-02 ppm1 4.354 ppm2 2.637 CV 1 ASSI { 2775} (( segid " " and resid 1737 and name HA )) (( segid " " and resid 1741 and name HB2 )) 4.100 2.100 1.900 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.45376E-03 ppm1 4.363 ppm2 2.035 CV 1 ASSI { 2776} (( segid " " and resid 1737 and name HA )) (( segid " " and resid 1740 and name HB3 )) 4.500 2.500 1.500 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.76871E-03 ppm1 4.357 ppm2 1.895 CV 1 ASSI { 2777} (( segid " " and resid 1737 and name HB3 )) (( segid " " and resid 1709 and name HG13)) 3.500 1.600 1.600 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.71447E-03 ppm1 2.640 ppm2 1.692 CV 1 ASSI { 2778} (( segid " " and resid 1737 and name HB3 )) ( segid " " and resid 1705 and name HB% ) 3.100 1.200 1.200 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.87030E-03 ppm1 2.629 ppm2 1.570 CV 1 ASSI { 2779} (( segid " " and resid 1737 and name HA )) ( segid " " and resid 1705 and name HB% ) 3.600 1.600 1.600 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.82961E-03 ppm1 4.361 ppm2 1.571 CV 1 ASSI { 2781} (( segid " " and resid 1737 and name HB2 )) (( segid " " and resid 1709 and name HG13)) 4.000 2.000 2.000 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.75516E-03 ppm1 3.087 ppm2 1.692 CV 1 ASSI { 2783} (( segid " " and resid 1737 and name HB2 )) (( segid " " and resid 1709 and name HG12)) 2.700 0.900 0.900 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.89738E-03 ppm1 3.081 ppm2 0.813 CV 1 ASSI { 2784} (( segid " " and resid 1737 and name HB3 )) (( segid " " and resid 1709 and name HG12)) 3.500 1.600 1.600 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.86689E-03 ppm1 2.635 ppm2 0.817 CV 1 ASSI { 2788} (( segid " " and resid 1738 and name HB3 )) (( segid " " and resid 1738 and name HA )) 2.700 0.900 0.900 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.21232E-02 ppm1 3.381 ppm2 4.264 CV 1 ASSI { 2789} (( segid " " and resid 1738 and name HB3 )) (( segid " " and resid 1738 and name HB2 )) 2.000 0.500 0.500 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.74258E-02 ppm1 3.381 ppm2 3.125 CV 1 ASSI { 2793} (( segid " " and resid 1738 and name HB2 )) (( segid " " and resid 1738 and name HA )) 2.900 1.000 1.000 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.26210E-02 ppm1 3.145 ppm2 4.265 CV 1 ASSI { 2796} (( segid " " and resid 1738 and name HA )) (( segid " " and resid 1741 and name HB2 )) 2.400 0.700 0.700 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.26751E-02 ppm1 4.262 ppm2 2.045 CV 1 ASSI { 2797} (( segid " " and resid 1738 and name HA )) (( segid " " and resid 1741 and name HB3 )) 3.300 1.400 1.400 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.25871E-02 ppm1 4.265 ppm2 1.532 CV 1 ASSI { 2798} (( segid " " and resid 1738 and name HA )) ( segid " " and resid 1741 and name HD1%) 3.100 1.200 1.200 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.15373E-02 ppm1 4.264 ppm2 0.699 CV 1 ASSI { 2799} (( segid " " and resid 1738 and name HA )) ( segid " " and resid 1709 and name HD1%) 3.300 1.400 1.400 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.10192E-02 ppm1 4.266 ppm2 0.255 CV 1 ASSI { 2802} (( segid " " and resid 1738 and name HB3 )) ( segid " " and resid 1668 and name HD2%) 4.700 2.700 1.300 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.41312E-03 ppm1 3.378 ppm2 0.364 CV 1 ASSI { 2804} (( segid " " and resid 1738 and name HB3 )) ( segid " " and resid 1738 and name HD% ) 2.800 1.000 1.000 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.25126E-02 ppm1 3.380 ppm2 7.279 CV 1 ASSI { 2809} (( segid " " and resid 1738 and name HB2 )) ( segid " " and resid 1738 and name HD% ) 2.800 1.000 1.000 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.22824E-02 ppm1 3.120 ppm2 7.280 CV 1 ASSI { 2811} (( segid " " and resid 1738 and name HA )) ( segid " " and resid 1738 and name HD% ) 2.700 0.900 0.900 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.29494E-02 ppm1 4.263 ppm2 7.279 CV 1 ASSI { 2812} (( segid " " and resid 1738 and name HA )) (( segid " " and resid 1738 and name H )) 2.800 1.000 1.000 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.21368E-02 ppm1 4.263 ppm2 7.624 CV 1 ASSI { 2814} (( segid " " and resid 1738 and name HA )) (( segid " " and resid 1739 and name H )) 3.500 1.600 1.600 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.66709E-03 ppm1 4.269 ppm2 8.900 CV 1 ASSI { 2816} (( segid " " and resid 1738 and name HB3 )) (( segid " " and resid 1739 and name H )) 3.800 1.800 1.800 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.75850E-03 ppm1 3.379 ppm2 8.900 CV 1 ASSI { 2817} (( segid " " and resid 1739 and name HA )) (( segid " " and resid 1739 and name H )) 2.900 1.000 1.000 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.24347E-02 ppm1 4.425 ppm2 8.901 CV 1 ASSI { 2819} (( segid " " and resid 1739 and name HG2 )) (( segid " " and resid 1739 and name H )) 3.700 1.700 1.700 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.23873E-02 ppm1 2.345 ppm2 8.901 CV 1 ASSI { 2820} (( segid " " and resid 1739 and name HG3 )) (( segid " " and resid 1739 and name H )) 3.800 1.800 1.800 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.19437E-02 ppm1 2.188 ppm2 8.900 CV 1 ASSI { 2821} (( segid " " and resid 1739 and name HA )) (( segid " " and resid 1738 and name H )) 5.200 3.400 0.800 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.25058E-03 ppm1 4.421 ppm2 7.612 CV 1 ASSI { 2822} (( segid " " and resid 1739 and name HB3 )) (( segid " " and resid 1741 and name H )) 5.100 3.200 0.900 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.34540E-03 ppm1 2.190 ppm2 7.428 CV 1 ASSI { 2823} (( segid " " and resid 1739 and name HB3 )) (( segid " " and resid 1739 and name HA )) 2.800 1.000 1.000 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.51607E-02 ppm1 2.199 ppm2 4.427 CV 1 ASSI { 2824} (( segid " " and resid 1739 and name HG2 )) (( segid " " and resid 1739 and name HA )) 3.200 1.300 1.300 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.30679E-02 ppm1 2.345 ppm2 4.427 CV 1 ASSI { 2826} (( segid " " and resid 1739 and name HG3 )) (( segid " " and resid 1740 and name HD2 )) 4.300 2.300 1.700 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.14155E-02 ppm1 2.196 ppm2 3.932 CV 1 ASSI { 2827} (( segid " " and resid 1739 and name HG2 )) (( segid " " and resid 1740 and name HD2 )) 4.600 2.700 1.400 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.72128E-03 ppm1 2.358 ppm2 3.926 CV 1 ASSI { 2830} (( segid " " and resid 1739 and name HG3 )) (( segid " " and resid 1740 and name HD3 )) 3.700 1.700 1.700 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.26413E-02 ppm1 2.188 ppm2 3.671 CV 1 ASSI { 2831} (( segid " " and resid 1739 and name HG2 )) (( segid " " and resid 1740 and name HD3 )) 3.800 1.800 1.800 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.96168E-03 ppm1 2.347 ppm2 3.672 CV 1 ASSI { 2833} (( segid " " and resid 1739 and name HA )) (( segid " " and resid 1740 and name HD3 )) 4.100 2.100 1.900 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.11242E-02 ppm1 4.427 ppm2 3.681 CV 1 ASSI { 2834} (( segid " " and resid 1739 and name HA )) (( segid " " and resid 1738 and name HB3 )) 4.000 2.000 2.000 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.33524E-03 ppm1 4.428 ppm2 3.381 CV 1 ASSI { 2836} (( segid " " and resid 1739 and name HA )) (( segid " " and resid 1739 and name HG3 )) 2.400 0.700 0.700 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.91330E-02 ppm1 4.424 ppm2 2.201 CV 1 OR { 2836} (( segid " " and resid 1739 and name HA )) (( segid " " and resid 1739 and name HB3 )) ASSI { 2837} (( segid " " and resid 1739 and name HB3 )) (( segid " " and resid 1739 and name HG2 )) 2.100 0.600 0.600 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.87941E-02 ppm1 2.198 ppm2 2.343 CV 1 ASSI { 2838} (( segid " " and resid 1739 and name HG2 )) (( segid " " and resid 1739 and name HG3 )) 1.800 0.400 0.400 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.20578E-01 ppm1 2.345 ppm2 2.201 CV 1 ASSI { 2841} (( segid " " and resid 1739 and name HG2 )) ( segid " " and resid 1743 and name HD1%) 3.200 1.200 1.200 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 2.345 ppm2 0.912 CV 1 ASSI { 2842} (( segid " " and resid 1739 and name HB3 )) ( segid " " and resid 1743 and name HD1%) 4.200 2.200 1.800 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.60615E-03 ppm1 2.211 ppm2 0.913 CV 1 OR { 2842} (( segid " " and resid 1739 and name HB2 )) ( segid " " and resid 1743 and name HD1%) ASSI { 2843} (( segid " " and resid 1739 and name HA )) ( segid " " and resid 1743 and name HD1%) 3.900 1.900 1.900 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.56889E-03 ppm1 4.424 ppm2 0.908 CV 1 ASSI { 2844} (( segid " " and resid 1740 and name HD2 )) (( segid " " and resid 1738 and name H )) 3.700 1.700 1.700 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.62646E-03 ppm1 3.930 ppm2 7.625 CV 1 ASSI { 2845} (( segid " " and resid 1740 and name HD2 )) (( segid " " and resid 1741 and name H )) 3.000 1.100 1.100 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.93120E-03 ppm1 3.928 ppm2 7.422 CV 1 ASSI { 2846} (( segid " " and resid 1740 and name HD2 )) (( segid " " and resid 1739 and name H )) 2.500 0.800 0.800 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.25262E-02 ppm1 3.931 ppm2 8.899 CV 1 ASSI { 2847} (( segid " " and resid 1740 and name HA )) (( segid " " and resid 1743 and name H )) 3.300 1.400 1.400 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.13646E-02 ppm1 4.363 ppm2 8.211 CV 1 ASSI { 2848} (( segid " " and resid 1740 and name HB2 )) (( segid " " and resid 1741 and name H )) 3.600 1.600 1.600 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 2.386 ppm2 7.425 CV 1 ASSI { 2850} (( segid " " and resid 1740 and name HG2 )) (( segid " " and resid 1741 and name H )) 2.700 0.900 0.900 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.15848E-02 ppm1 2.316 ppm2 7.427 CV 1 ASSI { 2851} (( segid " " and resid 1740 and name HG2 )) (( segid " " and resid 1739 and name H )) 5.000 3.200 1.000 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.46054E-03 ppm1 2.314 ppm2 8.903 CV 1 ASSI { 2853} (( segid " " and resid 1756 and name HB2 )) (( segid " " and resid 1756 and name HA )) 2.800 1.000 1.000 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.54418E-02 ppm1 2.332 ppm2 4.198 CV 1 ASSI { 2854} (( segid " " and resid 1756 and name HB2 )) (( segid " " and resid 1756 and name HD2 )) 3.800 1.800 1.800 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.87363E-03 ppm1 2.329 ppm2 4.095 CV 1 ASSI { 2855} (( segid " " and resid 1740 and name HB2 )) (( segid " " and resid 1740 and name HD2 )) 4.100 2.100 1.900 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.10430E-02 ppm1 2.386 ppm2 3.930 CV 1 ASSI { 2856} (( segid " " and resid 1756 and name HB2 )) (( segid " " and resid 1756 and name HD3 )) 4.000 2.000 2.000 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.12699E-02 ppm1 2.328 ppm2 3.825 CV 1 ASSI { 2857} (( segid " " and resid 1740 and name HB2 )) (( segid " " and resid 1740 and name HD3 )) 3.800 1.800 1.800 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.15475E-02 ppm1 2.381 ppm2 3.673 CV 1 ASSI { 2858} (( segid " " and resid 1740 and name HD2 )) (( segid " " and resid 1739 and name HA )) 3.800 1.800 1.800 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.10159E-02 ppm1 3.929 ppm2 4.432 CV 1 ASSI { 2861} (( segid " " and resid 1740 and name HG2 )) (( segid " " and resid 1737 and name HA )) 2.600 0.800 0.800 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.34404E-02 ppm1 2.313 ppm2 4.356 CV 1 ASSI { 2862} (( segid " " and resid 1740 and name HG3 )) (( segid " " and resid 1737 and name HA )) 2.700 0.900 0.900 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.33897E-02 ppm1 2.135 ppm2 4.362 CV 1 ASSI { 2864} (( segid " " and resid 1740 and name HB2 )) ( segid " " and resid 1744 and name HB% ) 3.200 1.300 1.300 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.10497E-02 ppm1 2.387 ppm2 1.575 CV 1 ASSI { 2865} (( segid " " and resid 1756 and name HB2 )) (( segid " " and resid 1756 and name HB3 )) 1.900 0.500 0.500 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.10867E-01 ppm1 2.332 ppm2 1.800 CV 1 ASSI { 2866} (( segid " " and resid 1756 and name HB2 )) (( segid " " and resid 1756 and name HG2 )) 2.400 0.700 0.700 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.50828E-02 ppm1 2.333 ppm2 2.137 CV 1 ASSI { 2867} (( segid " " and resid 1756 and name HB2 )) (( segid " " and resid 1756 and name HG3 )) 3.000 1.100 1.100 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.35488E-02 ppm1 2.332 ppm2 2.041 CV 1 ASSI { 2868} (( segid " " and resid 1740 and name HB2 )) (( segid " " and resid 1740 and name HG3 )) 2.700 0.900 0.900 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.49169E-02 ppm1 2.383 ppm2 2.137 CV 1 ASSI { 2871} (( segid " " and resid 1740 and name HD2 )) (( segid " " and resid 1739 and name HB3 )) 2.900 1.100 1.100 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.36504E-02 ppm1 3.930 ppm2 2.203 CV 1 ASSI { 2873} (( segid " " and resid 1740 and name HA )) ( segid " " and resid 1743 and name HD1%) 3.100 1.200 1.200 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.19742E-02 ppm1 4.361 ppm2 0.911 CV 1 ASSI { 2874} (( segid " " and resid 1740 and name HB3 )) ( segid " " and resid 1743 and name HD1%) 4.900 3.000 1.100 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.27767E-03 ppm1 1.893 ppm2 0.914 CV 1 ASSI { 2875} (( segid " " and resid 1740 and name HB2 )) ( segid " " and resid 1743 and name HD2%) 4.700 2.700 1.300 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.56551E-03 ppm1 2.381 ppm2 0.906 CV 1 OR { 2875} (( segid " " and resid 1740 and name HB2 )) ( segid " " and resid 1743 and name HD1%) ASSI { 2876} (( segid " " and resid 1745 and name HA )) ( segid " " and resid 1748 and name HB% ) 2.800 1.000 1.000 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.36910E-02 ppm1 4.644 ppm2 1.442 CV 1 ASSI { 2877} (( segid " " and resid 1745 and name HA )) ( segid " " and resid 1745 and name HB% ) 2.200 0.600 0.600 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.90752E-02 ppm1 4.642 ppm2 1.559 CV 1 ASSI { 2878} (( segid " " and resid 1745 and name HA )) ( segid " " and resid 1702 and name HE% ) 2.900 1.000 1.000 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.21198E-02 ppm1 4.642 ppm2 2.007 CV 1 ASSI { 2879} ( segid " " and resid 1745 and name HB% ) ( segid " " and resid 1702 and name HE% ) 2.200 0.600 0.600 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.73074E-02 ppm1 1.558 ppm2 2.004 CV 1 ASSI { 2880} ( segid " " and resid 1745 and name HB% ) (( segid " " and resid 1746 and name HB )) 4.300 2.300 1.700 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.85676E-03 ppm1 1.556 ppm2 2.089 CV 1 ASSI { 2882} ( segid " " and resid 1745 and name HB% ) ( segid " " and resid 1746 and name HG1%) 3.700 1.700 1.700 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.27361E-02 ppm1 1.559 ppm2 1.039 CV 1 ASSI { 2883} (( segid " " and resid 1745 and name HA )) ( segid " " and resid 1761 and name HD1%) 3.000 1.100 1.100 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.15746E-02 ppm1 4.642 ppm2 0.828 CV 1 ASSI { 2884} (( segid " " and resid 1745 and name HA )) ( segid " " and resid 1741 and name HD2%) 4.300 2.300 1.700 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.63323E-03 ppm1 4.649 ppm2 0.985 CV 1 ASSI { 2885} ( segid " " and resid 1745 and name HB% ) ( segid " " and resid 1810 and name HD2%) 6.000 5.100 0.000 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.81273E-04 ppm1 1.556 ppm2 0.887 CV 1 ASSI { 2886} ( segid " " and resid 1745 and name HB% ) ( segid " " and resid 1761 and name HD1%) 3.000 1.100 1.100 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.23297E-02 ppm1 1.558 ppm2 0.818 CV 1 ASSI { 2887} ( segid " " and resid 1745 and name HB% ) ( segid " " and resid 1762 and name HD1%) 2.800 1.000 1.000 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.28343E-02 ppm1 1.558 ppm2 0.754 CV 1 ASSI { 2888} ( segid " " and resid 1745 and name HB% ) (( segid " " and resid 1742 and name HA )) 2.500 0.800 0.800 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.37858E-02 ppm1 1.558 ppm2 3.702 CV 1 ASSI { 2890} ( segid " " and resid 1745 and name HB% ) (( segid " " and resid 1765 and name HB )) 3.100 1.200 1.200 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.15577E-02 ppm1 1.558 ppm2 4.252 CV 1 ASSI { 2892} (( segid " " and resid 1745 and name HA )) (( segid " " and resid 1746 and name H )) 3.500 1.500 1.500 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.97189E-03 ppm1 4.640 ppm2 8.211 CV 1 ASSI { 2895} ( segid " " and resid 1746 and name HG2%) (( segid " " and resid 1678 and name H )) 3.100 1.200 1.200 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.79239E-03 ppm1 0.970 ppm2 8.092 CV 1 ASSI { 2896} ( segid " " and resid 1746 and name HG2%) (( segid " " and resid 1747 and name H )) 3.800 1.800 1.800 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.17914E-02 ppm1 0.978 ppm2 8.042 CV 1 ASSI { 2897} (( segid " " and resid 1746 and name HA )) (( segid " " and resid 1749 and name H )) 3.300 1.400 1.400 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.78898E-03 ppm1 3.494 ppm2 9.077 CV 1 ASSI { 2898} (( segid " " and resid 1746 and name HA )) (( segid " " and resid 1762 and name HA )) 4.800 2.800 1.200 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.63323E-03 ppm1 3.500 ppm2 3.977 CV 1 ASSI { 2899} (( segid " " and resid 1746 and name HB )) (( segid " " and resid 1743 and name HA )) 3.100 1.200 1.200 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.12935E-02 ppm1 2.089 ppm2 4.086 CV 1 ASSI { 2900} ( segid " " and resid 1746 and name HG1%) (( segid " " and resid 1743 and name HA )) 3.300 1.400 1.400 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.26413E-02 ppm1 1.040 ppm2 4.081 CV 1 ASSI { 2901} ( segid " " and resid 1746 and name HG1%) (( segid " " and resid 1675 and name HA )) 3.500 1.600 1.600 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.25702E-02 ppm1 1.040 ppm2 4.018 CV 1 ASSI { 2902} ( segid " " and resid 1746 and name HG2%) (( segid " " and resid 1675 and name HA )) 3.100 1.200 1.200 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.14730E-02 ppm1 0.980 ppm2 4.009 CV 1 ASSI { 2903} ( segid " " and resid 1746 and name HG2%) (( segid " " and resid 1678 and name HA )) 4.200 2.200 1.800 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.89398E-03 ppm1 0.976 ppm2 4.281 CV 1 ASSI { 2904} ( segid " " and resid 1746 and name HG1%) (( segid " " and resid 1678 and name HA )) 3.800 1.800 1.800 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.67387E-03 ppm1 1.044 ppm2 4.273 CV 1 ASSI { 2905} ( segid " " and resid 1746 and name HG1%) (( segid " " and resid 1742 and name HA )) 4.300 2.300 1.700 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 1.042 ppm2 3.705 CV 1 ASSI { 2906} ( segid " " and resid 1746 and name HG1%) (( segid " " and resid 1746 and name HA )) 2.100 0.600 0.600 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.96338E-02 ppm1 1.040 ppm2 3.493 CV 1 ASSI { 2907} ( segid " " and resid 1746 and name HG2%) (( segid " " and resid 1746 and name HA )) 2.300 0.700 0.700 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.71481E-02 ppm1 0.978 ppm2 3.493 CV 1 ASSI { 2908} ( segid " " and resid 1746 and name HG2%) (( segid " " and resid 1747 and name HA2 )) 4.300 2.300 1.700 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.10430E-02 ppm1 0.976 ppm2 3.727 CV 1 OR { 2908} ( segid " " and resid 1746 and name HG2%) (( segid " " and resid 1747 and name HA3 )) ASSI { 2910} ( segid " " and resid 1746 and name HG2%) (( segid " " and resid 1746 and name HB )) 2.200 0.600 0.600 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.10139E-01 ppm1 0.978 ppm2 2.092 CV 1 ASSI { 2911} (( segid " " and resid 1746 and name HA )) (( segid " " and resid 1746 and name HB )) 2.900 1.100 1.100 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.20318E-02 ppm1 3.493 ppm2 2.092 CV 1 ASSI { 2914} ( segid " " and resid 1746 and name HG1%) ( segid " " and resid 1678 and name HB% ) 2.100 0.500 0.500 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.12611E-01 ppm1 1.040 ppm2 1.597 CV 1 ASSI { 2921} ( segid " " and resid 1746 and name HG1%) ( segid " " and resid 1762 and name HD1%) 3.100 1.200 1.200 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.55602E-02 ppm1 1.040 ppm2 0.759 CV 1 ASSI { 2922} ( segid " " and resid 1746 and name HG2%) ( segid " " and resid 1762 and name HD1%) 2.900 1.000 1.000 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.26447E-02 ppm1 0.978 ppm2 0.765 CV 1 ASSI { 2923} (( segid " " and resid 1747 and name HA3 )) ( segid " " and resid 1698 and name HD1%) 3.100 1.200 1.200 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.16999E-02 ppm1 3.733 ppm2 0.623 CV 1 OR { 2923} (( segid " " and resid 1747 and name HA2 )) ( segid " " and resid 1698 and name HD1%) ASSI { 2925} (( segid " " and resid 1747 and name HA2 )) (( segid " " and resid 1690 and name HB2 )) 3.000 1.100 1.100 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.22654E-02 ppm1 3.731 ppm2 1.707 CV 1 OR { 2925} (( segid " " and resid 1747 and name HA3 )) (( segid " " and resid 1690 and name HB2 )) OR { 2925} (( segid " " and resid 1747 and name HA3 )) (( segid " " and resid 1690 and name HG3 )) OR { 2925} (( segid " " and resid 1747 and name HA3 )) (( segid " " and resid 1690 and name HG2 )) OR { 2925} (( segid " " and resid 1747 and name HA2 )) (( segid " " and resid 1690 and name HG2 )) ASSI { 2927} (( segid " " and resid 1747 and name HA3 )) ( segid " " and resid 1748 and name HB% ) 4.300 2.300 1.700 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.66371E-03 ppm1 3.731 ppm2 1.433 CV 1 ASSI { 2928} (( segid " " and resid 1747 and name HA2 )) (( segid " " and resid 1746 and name HB )) 4.000 2.000 2.000 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.57905E-03 ppm1 3.722 ppm2 2.085 CV 1 OR { 2928} (( segid " " and resid 1747 and name HA3 )) (( segid " " and resid 1746 and name HB )) ASSI { 2930} (( segid " " and resid 1747 and name HA3 )) (( segid " " and resid 1744 and name HA )) 3.200 1.300 1.300 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.10802E-02 ppm1 3.737 ppm2 4.206 CV 1 ASSI { 2931} (( segid " " and resid 1747 and name HA3 )) (( segid " " and resid 1747 and name H )) 2.400 0.700 0.700 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.58040E-02 ppm1 3.728 ppm2 8.042 CV 1 OR { 2931} (( segid " " and resid 1747 and name HA2 )) (( segid " " and resid 1747 and name H )) ASSI { 2932} (( segid " " and resid 1747 and name HA2 )) (( segid " " and resid 1750 and name H )) 3.700 1.700 1.700 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.53842E-03 ppm1 3.733 ppm2 8.435 CV 1 OR { 2932} (( segid " " and resid 1747 and name HA3 )) (( segid " " and resid 1750 and name H )) ASSI { 2934} (( segid " " and resid 1748 and name HA )) (( segid " " and resid 1750 and name H )) 3.800 1.800 1.800 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.66032E-03 ppm1 4.058 ppm2 8.432 CV 1 ASSI { 2936} (( segid " " and resid 1748 and name HA )) (( segid " " and resid 1751 and name H )) 3.600 1.600 1.600 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.71114E-03 ppm1 4.047 ppm2 7.080 CV 1 ASSI { 2937} (( segid " " and resid 1748 and name HA )) (( segid " " and resid 1752 and name HB )) 3.100 1.200 1.200 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.15712E-02 ppm1 4.065 ppm2 4.327 CV 1 ASSI { 2938} ( segid " " and resid 1749 and name HB% ) (( segid " " and resid 1758 and name HA )) 3.800 1.800 1.800 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.20386E-02 ppm1 1.586 ppm2 3.806 CV 1 ASSI { 2939} ( segid " " and resid 1749 and name HB% ) (( segid " " and resid 1758 and name HG2 )) 3.700 1.700 1.700 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.29223E-02 ppm1 1.585 ppm2 2.509 CV 1 ASSI { 2940} (( segid " " and resid 1748 and name HA )) ( segid " " and resid 1761 and name HD2%) 3.600 1.600 1.600 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.29359E-02 ppm1 4.066 ppm2 0.840 CV 1 ASSI { 2942} (( segid " " and resid 1753 and name HA )) (( segid " " and resid 1753 and name H )) 3.100 1.200 1.200 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.15780E-02 ppm1 4.232 ppm2 8.490 CV 1 ASSI { 2946} (( segid " " and resid 1753 and name HB2 )) (( segid " " and resid 1752 and name HA )) 4.400 2.400 1.600 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.80252E-03 ppm1 1.714 ppm2 4.318 CV 1 ASSI { 2948} (( segid " " and resid 1753 and name HA )) (( segid " " and resid 1753 and name HB2 )) 2.500 0.800 0.800 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.53537E-02 ppm1 4.232 ppm2 1.724 CV 1 ASSI { 2949} (( segid " " and resid 1753 and name HA )) (( segid " " and resid 1753 and name HB3 )) 2.600 0.800 0.800 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.64813E-02 ppm1 4.233 ppm2 1.669 CV 1 ASSI { 2950} (( segid " " and resid 1759 and name HA )) (( segid " " and resid 1759 and name HG2 )) 2.700 0.900 0.900 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.18015E-02 ppm1 4.282 ppm2 2.412 CV 1 ASSI { 2951} (( segid " " and resid 1759 and name HA )) (( segid " " and resid 1759 and name HG3 )) 2.900 1.100 1.100 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.26413E-02 ppm1 4.279 ppm2 2.117 CV 1 ASSI { 2953} (( segid " " and resid 1759 and name HA )) (( segid " " and resid 1759 and name HB3 )) 2.500 0.800 0.800 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.26176E-02 ppm1 4.280 ppm2 1.899 CV 1 ASSI { 2954} (( segid " " and resid 1759 and name HA )) (( segid " " and resid 1762 and name HG )) 4.100 2.100 1.900 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.95835E-03 ppm1 4.281 ppm2 1.813 CV 1 ASSI { 2955} (( segid " " and resid 1753 and name HA )) ( segid " " and resid 1752 and name HG2%) 4.000 2.000 2.000 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.53842E-03 ppm1 4.231 ppm2 1.337 CV 1 ASSI { 2960} (( segid " " and resid 1753 and name HA )) ( segid " " and resid 1753 and name HD2%) 3.600 1.600 1.600 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.15848E-02 ppm1 4.234 ppm2 0.982 CV 1 ASSI { 2962} (( segid " " and resid 1756 and name HA )) (( segid " " and resid 1759 and name HG2 )) 4.200 2.200 1.800 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.10633E-02 ppm1 4.198 ppm2 2.405 CV 1 ASSI { 2964} (( segid " " and resid 1756 and name HA )) (( segid " " and resid 1756 and name HG2 )) 3.700 1.700 1.700 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.17948E-02 ppm1 4.198 ppm2 2.131 CV 1 ASSI { 2965} (( segid " " and resid 1756 and name HA )) (( segid " " and resid 1756 and name HG3 )) 3.100 1.200 1.200 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.31695E-02 ppm1 4.199 ppm2 2.040 CV 1 ASSI { 2966} (( segid " " and resid 1756 and name HA )) (( segid " " and resid 1759 and name HB3 )) 4.000 2.000 2.000 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 4.199 ppm2 1.896 CV 1 ASSI { 2968} (( segid " " and resid 1756 and name HA )) (( segid " " and resid 1759 and name H )) 3.300 1.400 1.400 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.86689E-03 ppm1 4.198 ppm2 7.884 CV 1 ASSI { 2969} (( segid " " and resid 1756 and name HA )) (( segid " " and resid 1758 and name H )) 4.300 2.400 1.700 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.25058E-03 ppm1 4.202 ppm2 8.335 CV 1 ASSI { 2970} (( segid " " and resid 1756 and name HA )) (( segid " " and resid 1760 and name H )) 4.000 2.000 2.000 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.54857E-03 ppm1 4.198 ppm2 7.976 CV 1 ASSI { 2971} (( segid " " and resid 1756 and name HA )) (( segid " " and resid 1756 and name HD3 )) 3.500 1.500 1.500 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.97189E-03 ppm1 4.197 ppm2 3.828 CV 1 ASSI { 2974} (( segid " " and resid 1759 and name HA )) (( segid " " and resid 1760 and name H )) 3.200 1.300 1.300 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 4.279 ppm2 7.982 CV 1 ASSI { 2975} (( segid " " and resid 1759 and name HA )) (( segid " " and resid 1759 and name H )) 2.500 0.800 0.800 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.30036E-02 ppm1 4.278 ppm2 7.885 CV 1 ASSI { 2976} (( segid " " and resid 1759 and name HB2 )) (( segid " " and resid 1759 and name H )) 3.000 1.100 1.100 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.95154E-03 ppm1 2.041 ppm2 7.886 CV 1 ASSI { 2977} (( segid " " and resid 1758 and name HB2 )) (( segid " " and resid 1759 and name H )) 3.800 1.800 1.800 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.13274E-02 ppm1 2.405 ppm2 7.884 CV 1 ASSI { 2978} (( segid " " and resid 1758 and name HB3 )) (( segid " " and resid 1759 and name H )) 3.600 1.600 1.600 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.14324E-02 ppm1 2.308 ppm2 7.887 CV 1 ASSI { 2981} (( segid " " and resid 1759 and name HA )) (( segid " " and resid 1763 and name H )) 3.900 1.900 1.900 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.68066E-03 ppm1 4.281 ppm2 9.199 CV 1 ASSI { 2982} (( segid " " and resid 1759 and name HA )) (( segid " " and resid 1762 and name H )) 3.600 1.600 1.600 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.11784E-02 ppm1 4.282 ppm2 7.428 CV 1 ASSI { 2983} (( segid " " and resid 1759 and name HB2 )) (( segid " " and resid 1759 and name HA )) 3.200 1.300 1.300 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.14798E-02 ppm1 2.036 ppm2 4.278 CV 1 ASSI { 2984} (( segid " " and resid 1759 and name HB2 )) (( segid " " and resid 1759 and name HG2 )) 3.300 1.400 1.400 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.19505E-02 ppm1 2.039 ppm2 2.412 CV 1 ASSI { 2985} (( segid " " and resid 1761 and name HA )) (( segid " " and resid 1761 and name H )) 2.500 0.800 0.800 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.42768E-02 ppm1 3.894 ppm2 7.769 CV 1 ASSI { 2987} (( segid " " and resid 1750 and name HA )) (( segid " " and resid 1758 and name HE22)) 3.600 1.600 1.600 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.97189E-03 ppm1 4.052 ppm2 7.486 CV 1 ASSI { 2988} (( segid " " and resid 1750 and name HA )) (( segid " " and resid 1758 and name HE21)) 3.500 1.500 1.500 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.81606E-03 ppm1 4.052 ppm2 6.847 CV 1 ASSI { 2989} (( segid " " and resid 1777 and name HA )) ( segid " " and resid 1777 and name HE% ) 4.300 2.300 1.700 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.58921E-03 ppm1 4.209 ppm2 6.803 CV 1 ASSI { 2991} (( segid " " and resid 1670 and name HB2 )) (( segid " " and resid 1670 and name HB3 )) 1.800 0.400 0.400 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.13704E-01 ppm1 4.221 ppm2 4.092 CV 1 ASSI { 2992} (( segid " " and resid 1777 and name HA )) (( segid " " and resid 1777 and name HB3 )) 2.600 0.800 0.800 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.39518E-02 ppm1 4.213 ppm2 3.153 CV 1 ASSI { 2993} (( segid " " and resid 1777 and name HA )) (( segid " " and resid 1777 and name HB2 )) 2.600 0.900 0.900 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.36572E-02 ppm1 4.213 ppm2 3.080 CV 1 ASSI { 2994} (( segid " " and resid 1750 and name HA )) ( segid " " and resid 1749 and name HB% ) 3.800 1.800 1.800 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 4.047 ppm2 1.584 CV 1 ASSI { 2997} (( segid " " and resid 1750 and name HA )) ( segid " " and resid 1687 and name HD1%) 3.100 1.200 1.200 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.30172E-02 ppm1 4.052 ppm2 0.853 CV 1 ASSI { 2998} (( segid " " and resid 1777 and name HA )) ( segid " " and resid 1665 and name HG2%) 5.200 3.400 0.800 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.91766E-03 ppm1 4.217 ppm2 0.849 CV 1 ASSI { 3000} (( segid " " and resid 1752 and name HA )) (( segid " " and resid 1754 and name H )) 4.400 2.400 1.600 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.46731E-03 ppm1 4.317 ppm2 7.691 CV 1 ASSI { 3001} (( segid " " and resid 1752 and name HA )) (( segid " " and resid 1752 and name H )) 2.900 1.000 1.000 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.22790E-02 ppm1 4.317 ppm2 7.450 CV 1 ASSI { 3002} (( segid " " and resid 1752 and name HB )) (( segid " " and resid 1752 and name H )) 2.600 0.800 0.800 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.28783E-02 ppm1 4.324 ppm2 7.449 CV 1 ASSI { 3003} ( segid " " and resid 1752 and name HG2%) (( segid " " and resid 1752 and name H )) 3.400 1.400 1.400 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.31932E-02 ppm1 1.338 ppm2 7.451 CV 1 ASSI { 3004} ( segid " " and resid 1752 and name HG2%) (( segid " " and resid 1754 and name H )) 2.600 0.800 0.800 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.44766E-02 ppm1 1.338 ppm2 7.693 CV 1 ASSI { 3006} (( segid " " and resid 1752 and name HB )) (( segid " " and resid 1753 and name H )) 3.800 1.800 1.800 peak 3006 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 4.327 ppm2 8.486 CV 1 ASSI { 3007} ( segid " " and resid 1752 and name HG2%) (( segid " " and resid 1758 and name H )) 2.800 1.000 1.000 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.30849E-02 ppm1 1.335 ppm2 8.338 CV 1 ASSI { 3008} ( segid " " and resid 1752 and name HG2%) (( segid " " and resid 1753 and name H )) 3.100 1.200 1.200 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.23095E-02 ppm1 1.337 ppm2 8.486 CV 1 ASSI { 3009} (( segid " " and resid 1752 and name HB )) (( segid " " and resid 1751 and name H )) 4.700 2.800 1.300 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.35894E-03 ppm1 4.329 ppm2 7.075 CV 1 ASSI { 3010} ( segid " " and resid 1752 and name HG2%) (( segid " " and resid 1752 and name HB )) 2.000 0.500 0.500 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.13725E-01 ppm1 1.337 ppm2 4.325 CV 1 ASSI { 3012} ( segid " " and resid 1742 and name HG2%) (( segid " " and resid 1743 and name HA )) 2.800 1.000 1.000 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.25431E-02 ppm1 1.325 ppm2 4.075 CV 1 ASSI { 3014} ( segid " " and resid 1752 and name HG2%) (( segid " " and resid 1758 and name HA )) 2.600 0.900 0.900 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.57634E-02 ppm1 1.337 ppm2 3.817 CV 1 ASSI { 3015} (( segid " " and resid 1752 and name HB )) (( segid " " and resid 1757 and name HB3 )) 4.100 2.100 1.900 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.75516E-03 ppm1 4.324 ppm2 2.123 CV 1 OR { 3015} (( segid " " and resid 1752 and name HB )) (( segid " " and resid 1757 and name HB2 )) ASSI { 3017} (( segid " " and resid 1752 and name HA )) (( segid " " and resid 1751 and name HB2 )) 3.200 1.300 1.300 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.67048E-03 ppm1 4.318 ppm2 2.135 CV 1 ASSI { 3019} (( segid " " and resid 1771 and name HA )) (( segid " " and resid 1803 and name HG2 )) 5.000 3.100 1.000 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.34540E-03 ppm1 4.316 ppm2 2.489 CV 1 ASSI { 3021} (( segid " " and resid 1752 and name HA )) ( segid " " and resid 1752 and name HG2%) 2.600 0.800 0.800 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.46933E-02 ppm1 4.319 ppm2 1.338 CV 1 ASSI { 3022} (( segid " " and resid 1752 and name HB )) (( segid " " and resid 1751 and name HG2 )) 3.200 3.200 2.800 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.63323E-03 ppm1 4.321 ppm2 1.570 CV 1 ASSI { 3023} (( segid " " and resid 1752 and name HA )) (( segid " " and resid 1753 and name HB3 )) 4.600 2.600 1.400 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.86009E-03 ppm1 4.319 ppm2 1.669 CV 1 ASSI { 3024} (( segid " " and resid 1752 and name HB )) ( segid " " and resid 1761 and name HD2%) 4.200 2.200 1.800 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.44699E-03 ppm1 4.331 ppm2 0.852 CV 1 ASSI { 3025} ( segid " " and resid 1752 and name HG2%) ( segid " " and resid 1761 and name HD2%) 2.800 1.000 1.000 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.43446E-02 ppm1 1.337 ppm2 0.847 CV 1 ASSI { 3027} ( segid " " and resid 1752 and name HG2%) (( segid " " and resid 1758 and name HB3 )) 2.600 0.900 0.900 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.24381E-02 ppm1 1.336 ppm2 2.313 CV 1 ASSI { 3028} ( segid " " and resid 1742 and name HG2%) (( segid " " and resid 1674 and name HB3 )) 2.600 0.900 0.900 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.34879E-02 ppm1 1.320 ppm2 2.517 CV 1 ASSI { 3029} ( segid " " and resid 1752 and name HG2%) (( segid " " and resid 1758 and name HB2 )) 3.400 1.500 1.500 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.35115E-02 ppm1 1.336 ppm2 2.403 CV 1 ASSI { 3034} (( segid " " and resid 1787 and name HE3 )) (( segid " " and resid 1787 and name H )) 4.600 2.600 1.400 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.71114E-04 ppm1 3.053 ppm2 8.088 CV 1 OR { 3034} (( segid " " and resid 1787 and name HE2 )) (( segid " " and resid 1787 and name H )) ASSI { 3037} (( segid " " and resid 1787 and name HA )) (( segid " " and resid 1788 and name H )) 3.200 1.300 1.300 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.17304E-02 ppm1 4.363 ppm2 7.936 CV 1 ASSI { 3044} (( segid " " and resid 1787 and name HB3 )) (( segid " " and resid 1787 and name HE2 )) 4.900 3.000 1.100 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.20995E-03 ppm1 1.809 ppm2 3.056 CV 1 OR { 3044} (( segid " " and resid 1787 and name HB3 )) (( segid " " and resid 1787 and name HE3 )) ASSI { 3045} (( segid " " and resid 1787 and name HB2 )) (( segid " " and resid 1787 and name HE3 )) 4.300 2.300 1.700 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.53164E-03 ppm1 1.946 ppm2 3.052 CV 1 OR { 3045} (( segid " " and resid 1787 and name HB2 )) (( segid " " and resid 1787 and name HE2 )) ASSI { 3047} (( segid " " and resid 1787 and name HG2 )) (( segid " " and resid 1787 and name HE2 )) 3.200 1.300 1.300 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.15137E-02 ppm1 1.432 ppm2 3.055 CV 1 OR { 3047} (( segid " " and resid 1787 and name HG2 )) (( segid " " and resid 1787 and name HE3 )) ASSI { 3049} (( segid " " and resid 1787 and name HB3 )) (( segid " " and resid 1787 and name HB2 )) 1.800 0.400 0.400 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.14991E-01 ppm1 1.810 ppm2 1.947 CV 1 ASSI { 3050} (( segid " " and resid 1787 and name HA )) (( segid " " and resid 1787 and name HB2 )) 2.700 0.900 0.900 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.54689E-02 ppm1 4.364 ppm2 1.948 CV 1 ASSI { 3051} (( segid " " and resid 1787 and name HA )) (( segid " " and resid 1787 and name HB3 )) 2.600 0.800 0.800 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.38197E-02 ppm1 4.363 ppm2 1.812 CV 1 ASSI { 3052} (( segid " " and resid 1787 and name HA )) (( segid " " and resid 1787 and name HD3 )) 3.600 1.600 1.600 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 4.363 ppm2 1.738 CV 1 OR { 3052} (( segid " " and resid 1787 and name HA )) (( segid " " and resid 1787 and name HD2 )) ASSI { 3053} (( segid " " and resid 1787 and name HB3 )) (( segid " " and resid 1787 and name HD3 )) 2.600 0.900 0.900 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.45004E-02 ppm1 1.812 ppm2 1.740 CV 1 OR { 3053} (( segid " " and resid 1787 and name HB3 )) (( segid " " and resid 1787 and name HD2 )) ASSI { 3055} (( segid " " and resid 1787 and name HB2 )) (( segid " " and resid 1787 and name HD2 )) 2.900 1.100 1.100 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.26210E-02 ppm1 1.945 ppm2 1.734 CV 1 OR { 3055} (( segid " " and resid 1787 and name HB2 )) (( segid " " and resid 1787 and name HD3 )) ASSI { 3058} (( segid " " and resid 1787 and name HG2 )) (( segid " " and resid 1787 and name HB2 )) 3.100 1.200 1.200 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.26244E-02 ppm1 1.436 ppm2 1.942 CV 1 ASSI { 3059} (( segid " " and resid 1787 and name HG3 )) (( segid " " and resid 1787 and name HB2 )) 2.700 0.900 0.900 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.24144E-02 ppm1 1.522 ppm2 1.947 CV 1 ASSI { 3060} (( segid " " and resid 1787 and name HG3 )) (( segid " " and resid 1787 and name HB3 )) 3.100 1.200 1.200 peak 3060 spectrum 1 weight 0.10000E+01 volume 0.25837E-02 ppm1 1.516 ppm2 1.812 CV 1 ASSI { 3061} (( segid " " and resid 1787 and name HG3 )) (( segid " " and resid 1787 and name HD2 )) 2.500 0.800 0.800 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.48999E-02 ppm1 1.522 ppm2 1.736 CV 1 OR { 3061} (( segid " " and resid 1787 and name HG3 )) (( segid " " and resid 1787 and name HD3 )) ASSI { 3062} (( segid " " and resid 1787 and name HG2 )) (( segid " " and resid 1787 and name HB3 )) 2.600 0.900 0.900 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.31255E-02 ppm1 1.439 ppm2 1.804 CV 1 ASSI { 3063} (( segid " " and resid 1787 and name HE3 )) (( segid " " and resid 1787 and name HD2 )) 2.200 0.600 0.600 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.12211E-01 ppm1 3.055 ppm2 1.749 CV 1 OR { 3063} (( segid " " and resid 1787 and name HE2 )) (( segid " " and resid 1787 and name HD3 )) OR { 3063} (( segid " " and resid 1787 and name HE2 )) (( segid " " and resid 1787 and name HD2 )) OR { 3063} (( segid " " and resid 1787 and name HE3 )) (( segid " " and resid 1787 and name HD3 )) ASSI { 3064} (( segid " " and resid 1787 and name HA )) (( segid " " and resid 1787 and name HG3 )) 3.100 1.200 1.200 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.22383E-02 ppm1 4.364 ppm2 1.519 CV 1 ASSI { 3065} (( segid " " and resid 1787 and name HA )) (( segid " " and resid 1787 and name HG2 )) 2.700 0.900 0.900 peak 3065 spectrum 1 weight 0.10000E+01 volume 0.32406E-02 ppm1 4.364 ppm2 1.439 CV 1 ASSI { 3071} (( segid " " and resid 1787 and name HD3 )) (( segid " " and resid 1787 and name HG2 )) 2.800 1.000 1.000 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.28445E-02 ppm1 1.726 ppm2 1.450 CV 1 OR { 3071} (( segid " " and resid 1787 and name HD2 )) (( segid " " and resid 1787 and name HG2 )) ASSI { 3072} (( segid " " and resid 1787 and name HE3 )) (( segid " " and resid 1787 and name HG3 )) 2.600 0.900 0.900 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.50726E-02 ppm1 3.053 ppm2 1.519 CV 1 OR { 3072} (( segid " " and resid 1787 and name HE2 )) (( segid " " and resid 1787 and name HG3 )) ASSI { 3073} (( segid " " and resid 1730 and name HE3 )) (( segid " " and resid 1730 and name HG3 )) 2.300 0.600 0.600 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.58040E-02 ppm1 3.050 ppm2 1.472 CV 1 ASSI { 3074} (( segid " " and resid 1787 and name HG2 )) (( segid " " and resid 1787 and name HG3 )) 1.600 0.300 0.600 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.29149E-01 ppm1 1.438 ppm2 1.519 CV 1 ASSI { 3076} (( segid " " and resid 1796 and name HA )) (( segid " " and resid 1796 and name H )) 2.600 0.800 0.800 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.42667E-02 ppm1 4.215 ppm2 8.181 CV 1 ASSI { 3077} ( segid " " and resid 1796 and name HD2%) (( segid " " and resid 1796 and name H )) 4.100 2.100 1.900 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.13985E-02 ppm1 0.857 ppm2 8.183 CV 1 ASSI { 3078} ( segid " " and resid 1796 and name HD1%) (( segid " " and resid 1796 and name H )) 3.900 1.900 1.900 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.17168E-02 ppm1 0.809 ppm2 8.185 CV 1 ASSI { 3080} (( segid " " and resid 1796 and name HA )) (( segid " " and resid 1797 and name H )) 3.200 1.300 1.300 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 4.215 ppm2 7.956 CV 1 ASSI { 3081} ( segid " " and resid 1796 and name HD2%) (( segid " " and resid 1796 and name HA )) 3.000 1.100 1.100 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.49710E-02 ppm1 0.853 ppm2 4.212 CV 1 ASSI { 3082} ( segid " " and resid 1796 and name HD2%) (( segid " " and resid 1721 and name HA )) 2.800 1.000 1.000 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.37858E-02 ppm1 0.852 ppm2 4.151 CV 1 ASSI { 3084} ( segid " " and resid 1796 and name HD1%) (( segid " " and resid 1796 and name HA )) 2.400 0.700 0.700 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.74938E-02 ppm1 0.804 ppm2 4.215 CV 1 ASSI { 3087} ( segid " " and resid 1796 and name HD1%) (( segid " " and resid 1796 and name HB3 )) 3.000 1.100 1.100 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.52589E-02 ppm1 0.803 ppm2 1.903 CV 1 ASSI { 3090} (( segid " " and resid 1796 and name HA )) (( segid " " and resid 1796 and name HB2 )) 2.200 0.600 0.600 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.79987E-02 ppm1 4.215 ppm2 1.570 CV 1 ASSI { 3091} (( segid " " and resid 1796 and name HB3 )) (( segid " " and resid 1796 and name HB2 )) 1.800 0.400 0.400 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.10480E-01 ppm1 1.896 ppm2 1.568 CV 1 ASSI { 3092} ( segid " " and resid 1796 and name HD2%) (( segid " " and resid 1796 and name HB2 )) 2.100 0.600 0.600 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.22417E-01 ppm1 0.853 ppm2 1.569 CV 1 ASSI { 3093} ( segid " " and resid 1796 and name HD2%) ( segid " " and resid 1782 and name HB% ) 2.300 0.700 0.700 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.80423E-02 ppm1 0.856 ppm2 1.491 CV 1 ASSI { 3094} ( segid " " and resid 1796 and name HD2%) ( segid " " and resid 1779 and name HB% ) 3.100 1.200 1.200 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.30375E-02 ppm1 0.850 ppm2 1.357 CV 1 ASSI { 3096} (( segid " " and resid 1796 and name HB2 )) ( segid " " and resid 1778 and name HG2%) 3.800 1.800 1.800 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.12123E-02 ppm1 1.561 ppm2 1.267 CV 1 ASSI { 3099} ( segid " " and resid 1796 and name HD2%) ( segid " " and resid 1792 and name HG2%) 2.700 0.900 0.900 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.18692E-02 ppm1 0.856 ppm2 1.197 CV 1 ASSI { 3102} (( segid " " and resid 1796 and name HB2 )) ( segid " " and resid 1796 and name HD1%) 2.600 0.900 0.900 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.27327E-02 ppm1 1.561 ppm2 0.815 CV 1 ASSI { 3103} (( segid " " and resid 1819 and name HB3 )) ( segid " " and resid 1818 and name HB% ) 4.700 2.800 1.300 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.31154E-03 ppm1 3.928 ppm2 1.427 CV 1 OR { 3103} (( segid " " and resid 1819 and name HB2 )) ( segid " " and resid 1818 and name HB% ) ASSI { 3105} (( segid " " and resid 1813 and name HB )) ( segid " " and resid 1810 and name HD1%) 3.300 1.400 1.400 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.12902E-02 ppm1 4.398 ppm2 0.972 CV 1 ASSI { 3106} ( segid " " and resid 1813 and name HG2%) ( segid " " and resid 1814 and name HD2%) 2.900 1.000 1.000 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.67454E-02 ppm1 1.075 ppm2 0.831 CV 1 ASSI { 3107} ( segid " " and resid 1813 and name HG2%) ( segid " " and resid 1760 and name HB% ) 2.700 0.900 0.900 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.35285E-02 ppm1 1.073 ppm2 1.461 CV 1 ASSI { 3109} ( segid " " and resid 1813 and name HG2%) (( segid " " and resid 1813 and name HA )) 2.300 0.700 0.700 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.91561E-02 ppm1 1.074 ppm2 3.875 CV 1 ASSI { 3110} ( segid " " and resid 1813 and name HG2%) (( segid " " and resid 1813 and name HB )) 2.200 0.600 0.600 peak 3110 spectrum 1 weight 0.10000E+01 volume 0.10626E-01 ppm1 1.074 ppm2 4.401 CV 1 ASSI { 3112} ( segid " " and resid 1813 and name HG2%) (( segid " " and resid 1813 and name H )) 3.400 1.500 1.500 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.26582E-02 ppm1 1.073 ppm2 8.019 CV 1 ASSI { 3113} (( segid " " and resid 1813 and name HA )) (( segid " " and resid 1814 and name H )) 3.200 1.300 1.300 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.13342E-02 ppm1 3.871 ppm2 8.479 CV 1 ASSI { 3114} (( segid " " and resid 1813 and name HA )) (( segid " " and resid 1816 and name H )) 3.400 1.500 1.500 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.11073E-02 ppm1 3.868 ppm2 8.097 CV 1 ASSI { 3116} ( segid " " and resid 1813 and name HG2%) (( segid " " and resid 1814 and name H )) 3.100 1.200 1.200 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.25465E-02 ppm1 1.074 ppm2 8.475 CV 1 ASSI { 3118} (( segid " " and resid 1812 and name HA )) (( segid " " and resid 1813 and name H )) 3.600 1.600 1.600 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.91432E-03 ppm1 3.958 ppm2 8.019 CV 1 ASSI { 3121} (( segid " " and resid 1812 and name HA )) (( segid " " and resid 1815 and name HD21)) 4.100 2.100 1.900 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.77884E-03 ppm1 3.958 ppm2 7.471 CV 1 ASSI { 3122} (( segid " " and resid 1812 and name HA )) (( segid " " and resid 1815 and name HD22)) 4.600 2.600 1.400 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.40974E-03 ppm1 3.961 ppm2 6.699 CV 1 ASSI { 3123} (( segid " " and resid 1812 and name HA )) (( segid " " and resid 1812 and name HB )) 3.100 1.200 1.200 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.17778E-02 ppm1 3.961 ppm2 4.489 CV 1 ASSI { 3125} (( segid " " and resid 1812 and name HA )) (( segid " " and resid 1815 and name HB2 )) 2.700 0.900 0.900 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.25939E-02 ppm1 3.961 ppm2 2.963 CV 1 ASSI { 3126} (( segid " " and resid 1812 and name HA )) (( segid " " and resid 1815 and name HB3 )) 4.100 2.100 1.900 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.14764E-02 ppm1 3.958 ppm2 2.839 CV 1 ASSI { 3128} (( segid " " and resid 1812 and name HA )) ( segid " " and resid 1811 and name HG2%) 3.300 1.300 1.300 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 3.962 ppm2 1.176 CV 1 ASSI { 3131} (( segid " " and resid 1701 and name HB2 )) (( segid " " and resid 1701 and name HG2 )) 3.000 1.100 1.100 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.31425E-02 ppm1 2.340 ppm2 2.619 CV 1 ASSI { 3132} (( segid " " and resid 1701 and name HG3 )) (( segid " " and resid 1701 and name HG2 )) 1.800 0.400 0.400 peak 3132 spectrum 1 weight 0.10000E+01 volume 0.13972E-01 ppm1 2.341 ppm2 2.618 CV 1 ASSI { 3133} (( segid " " and resid 1702 and name HG3 )) (( segid " " and resid 1702 and name HG2 )) 2.000 0.500 0.500 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.64339E-02 ppm1 2.331 ppm2 2.892 CV 1 ASSI { 3135} (( segid " " and resid 1756 and name HG3 )) (( segid " " and resid 1756 and name HG2 )) 1.800 0.400 0.400 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.13332E-01 ppm1 2.042 ppm2 2.134 CV 1 ASSI { 3136} (( segid " " and resid 1701 and name HB2 )) (( segid " " and resid 1701 and name HB3 )) 1.900 0.400 0.400 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.95801E-02 ppm1 2.339 ppm2 2.042 CV 1 ASSI { 3137} (( segid " " and resid 1701 and name HG2 )) (( segid " " and resid 1701 and name HB3 )) 2.600 0.800 0.800 peak 3137 spectrum 1 weight 0.10000E+01 volume 0.28478E-02 ppm1 2.617 ppm2 2.044 CV 1 ASSI { 3139} (( segid " " and resid 1701 and name HG3 )) (( segid " " and resid 1701 and name HB3 )) 2.600 0.800 0.800 peak 3139 spectrum 1 weight 0.10000E+01 volume 0.73108E-02 ppm1 2.343 ppm2 2.041 CV 1 ASSI { 3141} (( segid " " and resid 1701 and name HB2 )) ( segid " " and resid 1744 and name HB% ) 3.500 1.500 1.500 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.21130E-02 ppm1 2.340 ppm2 1.571 CV 1 ASSI { 3142} (( segid " " and resid 1701 and name HG2 )) ( segid " " and resid 1744 and name HB% ) 3.200 1.300 1.300 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.10497E-02 ppm1 2.616 ppm2 1.570 CV 1 ASSI { 3144} (( segid " " and resid 1793 and name HA )) (( segid " " and resid 1796 and name HB2 )) 3.100 1.200 1.200 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.16085E-02 ppm1 4.058 ppm2 1.575 CV 1 ASSI { 3146} (( segid " " and resid 1701 and name HG3 )) ( segid " " and resid 1700 and name HG2%) 4.300 2.300 1.700 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.46392E-03 ppm1 2.343 ppm2 1.281 CV 1 ASSI { 3152} (( segid " " and resid 1701 and name HB3 )) (( segid " " and resid 1701 and name HA )) 2.700 0.900 0.900 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.48525E-02 ppm1 2.042 ppm2 4.066 CV 1 ASSI { 3154} (( segid " " and resid 1677 and name HG2 )) (( segid " " and resid 1677 and name HA )) 2.800 1.000 1.000 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.34743E-02 ppm1 2.595 ppm2 4.068 CV 1 ASSI { 3156} (( segid " " and resid 1701 and name HG3 )) (( segid " " and resid 1701 and name HA )) 2.500 0.800 0.800 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.45850E-02 ppm1 2.342 ppm2 4.060 CV 1 ASSI { 3159} (( segid " " and resid 1701 and name HG3 )) (( segid " " and resid 1701 and name HE22)) 4.100 2.100 1.900 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.78565E-03 ppm1 2.338 ppm2 6.525 CV 1 ASSI { 3160} (( segid " " and resid 1701 and name HG3 )) (( segid " " and resid 1701 and name HE21)) 3.200 1.300 1.300 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.12055E-02 ppm1 2.341 ppm2 7.275 CV 1 ASSI { 3161} (( segid " " and resid 1701 and name HG2 )) (( segid " " and resid 1701 and name HE21)) 3.100 1.200 1.200 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.15407E-02 ppm1 2.616 ppm2 7.270 CV 1 ASSI { 3164} (( segid " " and resid 1701 and name HG2 )) (( segid " " and resid 1701 and name H )) 3.400 1.400 1.400 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.37385E-02 ppm1 2.614 ppm2 8.303 CV 1 ASSI { 3165} (( segid " " and resid 1702 and name HB2 )) (( segid " " and resid 1702 and name H )) 2.400 0.700 0.700 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.52928E-02 ppm1 2.339 ppm2 8.311 CV 1 OR { 3165} (( segid " " and resid 1702 and name HG3 )) (( segid " " and resid 1702 and name H )) ASSI { 3167} (( segid " " and resid 1743 and name HB2 )) (( segid " " and resid 1743 and name H )) 2.300 0.700 0.700 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.50591E-02 ppm1 1.758 ppm2 8.207 CV 1 ASSI { 3169} (( segid " " and resid 1659 and name HB2 )) (( segid " " and resid 1660 and name H )) 4.100 2.100 1.900 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.15746E-02 ppm1 1.633 ppm2 9.685 CV 1 ASSI { 3171} (( segid " " and resid 1659 and name HB2 )) (( segid " " and resid 1659 and name H )) 2.700 0.900 0.900 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.33220E-02 ppm1 1.637 ppm2 8.646 CV 1 ASSI { 3174} ( segid " " and resid 1768 and name HD2%) ( segid " " and resid 1738 and name HE% ) 3.100 1.200 1.200 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.14764E-02 ppm1 0.907 ppm2 7.067 CV 1 ASSI { 3177} (( segid " " and resid 1659 and name HB2 )) (( segid " " and resid 1659 and name HA )) 2.500 0.800 0.800 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.38333E-02 ppm1 1.634 ppm2 4.120 CV 1 ASSI { 3178} (( segid " " and resid 1659 and name HB3 )) (( segid " " and resid 1659 and name HA )) 2.900 1.000 1.000 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.42600E-02 ppm1 1.601 ppm2 4.119 CV 1 ASSI { 3179} (( segid " " and resid 1768 and name HB2 )) (( segid " " and resid 1768 and name HA )) 2.700 0.900 0.900 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.20081E-02 ppm1 1.488 ppm2 4.125 CV 1 ASSI { 3183} ( segid " " and resid 1659 and name HD2%) (( segid " " and resid 1660 and name HA )) 3.300 1.400 1.400 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.17778E-02 ppm1 0.914 ppm2 3.936 CV 1 ASSI { 3184} ( segid " " and resid 1768 and name HD2%) (( segid " " and resid 1765 and name HA )) 3.100 1.200 1.200 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.19166E-02 ppm1 0.908 ppm2 3.915 CV 1 ASSI { 3185} ( segid " " and resid 1768 and name HD2%) (( segid " " and resid 1807 and name HA )) 3.200 1.200 1.200 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.12935E-02 ppm1 0.906 ppm2 3.540 CV 1 ASSI { 3186} ( segid " " and resid 1768 and name HD2%) (( segid " " and resid 1706 and name HA )) 3.800 1.800 1.800 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.94814E-03 ppm1 0.909 ppm2 3.332 CV 1 ASSI { 3187} ( segid " " and resid 1768 and name HD2%) (( segid " " and resid 1768 and name HB3 )) 2.500 0.800 0.800 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.36876E-02 ppm1 0.909 ppm2 2.367 CV 1 ASSI { 3189} ( segid " " and resid 1768 and name HD2%) (( segid " " and resid 1768 and name HG )) 2.300 0.700 0.700 peak 3189 spectrum 1 weight 0.10000E+01 volume 0.45410E-02 ppm1 0.909 ppm2 1.768 CV 1 ASSI { 3194} ( segid " " and resid 1775 and name HD2%) (( segid " " and resid 1775 and name HG )) 2.000 0.500 0.500 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.14324E-01 ppm1 0.878 ppm2 1.500 CV 1 ASSI { 3195} ( segid " " and resid 1775 and name HD2%) ( segid " " and resid 1717 and name HB% ) 2.300 2.300 3.700 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.12648E-01 ppm1 0.877 ppm2 1.445 CV 1 ASSI { 3196} ( segid " " and resid 1776 and name HD2%) ( segid " " and resid 1664 and name HB% ) 2.700 0.900 0.900 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.73278E-02 ppm1 0.886 ppm2 1.425 CV 1 ASSI { 3199} ( segid " " and resid 1776 and name HD2%) (( segid " " and resid 1776 and name HB3 )) 2.200 0.600 0.600 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.92718E-02 ppm1 0.872 ppm2 1.183 CV 1 ASSI { 3200} ( segid " " and resid 1775 and name HD2%) (( segid " " and resid 1716 and name HB3 )) 2.300 2.300 3.700 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.59056E-02 ppm1 0.879 ppm2 2.014 CV 1 ASSI { 3201} ( segid " " and resid 1776 and name HD2%) (( segid " " and resid 1776 and name HG )) 2.000 0.500 0.500 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.12140E-01 ppm1 0.881 ppm2 1.960 CV 1 ASSI { 3202} ( segid " " and resid 1768 and name HD2%) (( segid " " and resid 1769 and name H )) 3.900 1.900 1.900 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.12190E-02 ppm1 0.913 ppm2 8.500 CV 1 ASSI { 3203} ( segid " " and resid 1768 and name HD2%) (( segid " " and resid 1768 and name H )) 4.000 2.000 2.000 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 0.908 ppm2 7.751 CV 1 ASSI { 3204} ( segid " " and resid 1659 and name HD2%) (( segid " " and resid 1659 and name HG )) 3.000 1.200 1.200 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 0.920 ppm2 1.588 CV 1 OR { 3204} ( segid " " and resid 1659 and name HD2%) (( segid " " and resid 1659 and name HB3 )) ASSI { 3205} ( segid " " and resid 1768 and name HD2%) (( segid " " and resid 1768 and name HB2 )) 2.500 0.800 0.800 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.44563E-02 ppm1 0.910 ppm2 1.497 CV 1 ASSI { 3206} (( segid " " and resid 1751 and name HA )) (( segid " " and resid 1752 and name H )) 3.300 1.400 1.400 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.14392E-02 ppm1 4.436 ppm2 7.450 CV 1 ASSI { 3207} (( segid " " and resid 1751 and name HA )) (( segid " " and resid 1751 and name H )) 2.900 1.100 1.100 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.24652E-02 ppm1 4.433 ppm2 7.081 CV 1 ASSI { 3208} (( segid " " and resid 1751 and name HB3 )) (( segid " " and resid 1751 and name H )) 3.200 1.300 1.300 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.12631E-02 ppm1 1.642 ppm2 7.081 CV 1 ASSI { 3211} (( segid " " and resid 1751 and name HB3 )) (( segid " " and resid 1750 and name HA )) 4.200 2.200 1.800 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.66371E-03 ppm1 1.651 ppm2 4.055 CV 1 ASSI { 3213} (( segid " " and resid 1751 and name HB3 )) (( segid " " and resid 1751 and name HE3 )) 4.100 2.100 1.900 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.47408E-03 ppm1 1.630 ppm2 3.051 CV 1 OR { 3213} (( segid " " and resid 1751 and name HB3 )) (( segid " " and resid 1751 and name HE2 )) ASSI { 3216} (( segid " " and resid 1751 and name HA )) (( segid " " and resid 1751 and name HB2 )) 2.500 0.800 0.800 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.51201E-02 ppm1 4.431 ppm2 2.144 CV 1 ASSI { 3217} (( segid " " and resid 1751 and name HA )) (( segid " " and resid 1751 and name HB3 )) 2.900 1.000 1.000 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.27090E-02 ppm1 4.432 ppm2 1.641 CV 1 ASSI { 3218} (( segid " " and resid 1751 and name HA )) (( segid " " and resid 1751 and name HG2 )) 2.900 1.000 1.000 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.34269E-02 ppm1 4.431 ppm2 1.570 CV 1 OR { 3218} (( segid " " and resid 1751 and name HA )) (( segid " " and resid 1751 and name HD2 )) ASSI { 3219} (( segid " " and resid 1751 and name HA )) (( segid " " and resid 1751 and name HG3 )) 2.900 1.000 1.000 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.28580E-02 ppm1 4.431 ppm2 1.485 CV 1 ASSI { 3220} (( segid " " and resid 1751 and name HB3 )) (( segid " " and resid 1751 and name HG2 )) 2.700 0.900 0.900 peak 3220 spectrum 1 weight 0.10000E+01 volume 0.25905E-02 ppm1 1.641 ppm2 1.576 CV 1 OR { 3220} (( segid " " and resid 1751 and name HB3 )) (( segid " " and resid 1751 and name HD2 )) ASSI { 3221} (( segid " " and resid 1751 and name HB3 )) (( segid " " and resid 1751 and name HG3 )) 3.200 1.300 1.300 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.18320E-02 ppm1 1.643 ppm2 1.488 CV 1 ASSI { 3222} (( segid " " and resid 1751 and name HB2 )) (( segid " " and resid 1751 and name HB3 )) 2.100 0.500 0.500 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.55501E-02 ppm1 2.145 ppm2 1.643 CV 1 ASSI { 3223} (( segid " " and resid 1751 and name HB2 )) (( segid " " and resid 1751 and name HG2 )) 2.900 1.000 1.000 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.31289E-02 ppm1 2.146 ppm2 1.580 CV 1 OR { 3223} (( segid " " and resid 1751 and name HB2 )) (( segid " " and resid 1751 and name HD2 )) ASSI { 3225} (( segid " " and resid 1780 and name HE2 )) (( segid " " and resid 1780 and name HD3 )) 2.600 0.800 0.800 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.40398E-02 ppm1 3.087 ppm2 1.650 CV 1 ASSI { 3226} (( segid " " and resid 1780 and name HE2 )) (( segid " " and resid 1780 and name HD2 )) 2.600 0.800 0.800 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.41956E-02 ppm1 3.087 ppm2 1.594 CV 1 ASSI { 3227} (( segid " " and resid 1780 and name HE3 )) (( segid " " and resid 1780 and name HD2 )) 2.400 0.700 0.700 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.41075E-02 ppm1 2.994 ppm2 1.594 CV 1 ASSI { 3228} (( segid " " and resid 1751 and name HE2 )) (( segid " " and resid 1751 and name HD2 )) 2.500 0.800 0.800 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.60411E-02 ppm1 3.048 ppm2 1.572 CV 1 OR { 3228} (( segid " " and resid 1751 and name HE3 )) (( segid " " and resid 1751 and name HD2 )) OR { 3228} (( segid " " and resid 1751 and name HE3 )) (( segid " " and resid 1751 and name HG2 )) ASSI { 3229} (( segid " " and resid 1751 and name HD2 )) (( segid " " and resid 1751 and name HE2 )) 2.800 1.000 1.000 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.24787E-02 ppm1 1.571 ppm2 3.045 CV 1 OR { 3229} (( segid " " and resid 1751 and name HD2 )) (( segid " " and resid 1751 and name HE3 )) ASSI { 3230} (( segid " " and resid 1751 and name HG2 )) (( segid " " and resid 1751 and name HE3 )) 3.600 1.700 1.700 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.70433E-03 ppm1 1.564 ppm2 3.046 CV 1 OR { 3230} (( segid " " and resid 1751 and name HG2 )) (( segid " " and resid 1751 and name HE2 )) ASSI { 3231} (( segid " " and resid 1751 and name HG3 )) (( segid " " and resid 1751 and name HB2 )) 2.600 0.900 0.900 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.30544E-02 ppm1 1.483 ppm2 2.145 CV 1 ASSI { 3232} (( segid " " and resid 1751 and name HG2 )) (( segid " " and resid 1751 and name HB2 )) 3.000 1.100 1.100 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.24415E-02 ppm1 1.565 ppm2 2.144 CV 1 ASSI { 3233} (( segid " " and resid 1751 and name HE3 )) (( segid " " and resid 1751 and name HB2 )) 3.100 1.200 1.200 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.32068E-02 ppm1 3.045 ppm2 2.147 CV 1 OR { 3233} (( segid " " and resid 1751 and name HE2 )) (( segid " " and resid 1751 and name HB2 )) ASSI { 3234} (( segid " " and resid 1751 and name HE3 )) (( segid " " and resid 1695 and name HB2 )) 2.800 1.000 1.000 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.17405E-02 ppm1 3.048 ppm2 2.019 CV 1 OR { 3234} (( segid " " and resid 1751 and name HE2 )) (( segid " " and resid 1695 and name HB2 )) ASSI { 3235} (( segid " " and resid 1751 and name HE3 )) (( segid " " and resid 1695 and name HB3 )) 3.900 1.900 1.900 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.17236E-02 ppm1 3.046 ppm2 1.992 CV 1 ASSI { 3236} (( segid " " and resid 1751 and name HD2 )) (( segid " " and resid 1751 and name HB2 )) 2.900 1.100 1.100 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.22146E-02 ppm1 1.571 ppm2 2.143 CV 1 ASSI { 3237} (( segid " " and resid 1751 and name HD3 )) (( segid " " and resid 1751 and name HB2 )) 2.900 1.100 1.100 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.21063E-02 ppm1 1.707 ppm2 2.135 CV 1 ASSI { 3238} (( segid " " and resid 1751 and name HA )) (( segid " " and resid 1751 and name HD3 )) 3.500 1.500 1.500 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.19572E-02 ppm1 4.432 ppm2 1.707 CV 1 ASSI { 3239} (( segid " " and resid 1751 and name HD2 )) (( segid " " and resid 1751 and name HD3 )) 1.900 0.500 0.500 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.87499E-02 ppm1 1.575 ppm2 1.711 CV 1 ASSI { 3240} (( segid " " and resid 1751 and name HD2 )) (( segid " " and resid 1751 and name HG3 )) 2.400 0.700 0.700 peak 3240 spectrum 1 weight 0.10000E+01 volume 0.56720E-02 ppm1 1.571 ppm2 1.489 CV 1 ASSI { 3241} (( segid " " and resid 1751 and name HD3 )) (( segid " " and resid 1751 and name HG3 )) 2.700 0.900 0.900 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.37520E-02 ppm1 1.710 ppm2 1.491 CV 1 ASSI { 3242} (( segid " " and resid 1751 and name HD3 )) (( segid " " and resid 1751 and name HD2 )) 1.900 0.400 0.400 peak 3242 spectrum 1 weight 0.10000E+01 volume 0.10291E-01 ppm1 1.712 ppm2 1.573 CV 1 OR { 3242} (( segid " " and resid 1751 and name HD3 )) (( segid " " and resid 1751 and name HG2 )) ASSI { 3243} (( segid " " and resid 1751 and name HG2 )) (( segid " " and resid 1751 and name HD3 )) 2.500 0.800 0.800 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.38062E-02 ppm1 1.565 ppm2 1.708 CV 1 ASSI { 3244} (( segid " " and resid 1751 and name HG2 )) (( segid " " and resid 1751 and name HG3 )) 1.900 0.500 0.500 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.90446E-02 ppm1 1.561 ppm2 1.489 CV 1 ASSI { 3245} (( segid " " and resid 1751 and name HD2 )) ( segid " " and resid 1698 and name HD1%) 3.200 1.300 1.300 peak 3245 spectrum 1 weight 0.10000E+01 volume 0.21537E-02 ppm1 1.571 ppm2 0.621 CV 1 ASSI { 3246} (( segid " " and resid 1751 and name HD3 )) ( segid " " and resid 1698 and name HD1%) 2.800 1.000 1.000 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.20081E-02 ppm1 1.707 ppm2 0.623 CV 1 ASSI { 3247} (( segid " " and resid 1751 and name HG2 )) ( segid " " and resid 1698 and name HD1%) 3.700 1.700 1.700 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.60615E-03 ppm1 1.567 ppm2 0.627 CV 1 ASSI { 3248} (( segid " " and resid 1751 and name HG3 )) ( segid " " and resid 1698 and name HD1%) 3.700 1.700 1.700 peak 3248 spectrum 1 weight 0.10000E+01 volume 0.64678E-03 ppm1 1.480 ppm2 0.619 CV 1 ASSI { 3249} (( segid " " and resid 1751 and name HE2 )) ( segid " " and resid 1693 and name HG2%) 2.900 1.100 1.100 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.16051E-02 ppm1 3.048 ppm2 0.786 CV 1 ASSI { 3251} (( segid " " and resid 1751 and name HD2 )) (( segid " " and resid 1751 and name HA )) 3.600 1.600 1.600 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 1.571 ppm2 4.433 CV 1 ASSI { 3252} (( segid " " and resid 1751 and name HG2 )) (( segid " " and resid 1751 and name HA )) 3.200 1.300 1.300 peak 3252 spectrum 1 weight 0.10000E+01 volume 0.16356E-02 ppm1 1.563 ppm2 4.432 CV 1 ASSI { 3254} (( segid " " and resid 1751 and name HD2 )) (( segid " " and resid 1751 and name H )) 4.300 2.300 1.700 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.48424E-03 ppm1 1.568 ppm2 7.084 CV 1 ASSI { 3255} (( segid " " and resid 1751 and name HG2 )) (( segid " " and resid 1751 and name H )) 3.600 1.600 1.600 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.98876E-03 ppm1 1.564 ppm2 7.082 CV 1 ASSI { 3256} (( segid " " and resid 1751 and name HG3 )) (( segid " " and resid 1751 and name H )) 3.600 1.700 1.700 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.87030E-03 ppm1 1.474 ppm2 7.083 CV 1 ASSI { 3259} ( segid " " and resid 1741 and name HD1%) (( segid " " and resid 1741 and name H )) 4.500 2.500 1.500 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.92446E-03 ppm1 0.699 ppm2 7.427 CV 1 ASSI { 3260} (( segid " " and resid 1762 and name HA )) (( segid " " and resid 1762 and name H )) 2.600 0.800 0.800 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.31594E-02 ppm1 3.968 ppm2 7.430 CV 1 ASSI { 3261} ( segid " " and resid 1741 and name HD1%) ( segid " " and resid 1738 and name HD% ) 3.200 1.300 1.300 peak 3261 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 0.696 ppm2 7.278 CV 1 ASSI { 3262} ( segid " " and resid 1741 and name HD1%) ( segid " " and resid 1738 and name HE% ) 3.400 1.400 1.400 peak 3262 spectrum 1 weight 0.10000E+01 volume 0.87030E-03 ppm1 0.697 ppm2 7.063 CV 1 ASSI { 3263} ( segid " " and resid 1741 and name HD1%) (( segid " " and resid 1742 and name H )) 4.400 2.400 1.600 peak 3263 spectrum 1 weight 0.10000E+01 volume 0.80933E-03 ppm1 0.702 ppm2 8.162 CV 1 ASSI { 3266} (( segid " " and resid 1762 and name HA )) (( segid " " and resid 1765 and name H )) 3.200 1.300 1.300 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.11547E-02 ppm1 3.968 ppm2 7.908 CV 1 ASSI { 3267} (( segid " " and resid 1776 and name HA )) (( segid " " and resid 1779 and name H )) 3.100 1.200 1.200 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.18015E-02 ppm1 3.960 ppm2 9.211 CV 1 ASSI { 3268} (( segid " " and resid 1762 and name HA )) (( segid " " and resid 1765 and name HB )) 2.800 1.000 1.000 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.23297E-02 ppm1 3.973 ppm2 4.245 CV 1 ASSI { 3272} ( segid " " and resid 1741 and name HD1%) (( segid " " and resid 1741 and name HA )) 3.900 1.900 1.900 peak 3272 spectrum 1 weight 0.10000E+01 volume 0.14324E-02 ppm1 0.696 ppm2 3.977 CV 1 ASSI { 3274} (( segid " " and resid 1741 and name HB2 )) (( segid " " and resid 1741 and name HA )) 2.700 0.900 0.900 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.27530E-02 ppm1 2.048 ppm2 3.963 CV 1 ASSI { 3275} (( segid " " and resid 1741 and name HB3 )) (( segid " " and resid 1741 and name HA )) 2.900 1.000 1.000 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.22586E-02 ppm1 1.527 ppm2 3.974 CV 1 ASSI { 3276} ( segid " " and resid 1741 and name HD1%) (( segid " " and resid 1768 and name HB3 )) 3.600 1.600 1.600 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.74836E-03 ppm1 0.697 ppm2 2.369 CV 1 ASSI { 3277} ( segid " " and resid 1741 and name HD1%) (( segid " " and resid 1741 and name HB2 )) 2.600 0.800 0.800 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.35759E-02 ppm1 0.697 ppm2 2.042 CV 1 ASSI { 3278} (( segid " " and resid 1741 and name HB3 )) (( segid " " and resid 1741 and name HB2 )) 2.100 0.500 0.500 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.40128E-02 ppm1 1.530 ppm2 2.046 CV 1 ASSI { 3281} (( segid " " and resid 1733 and name HA )) (( segid " " and resid 1736 and name HB3 )) 2.800 1.000 1.000 peak 3281 spectrum 1 weight 0.10000E+01 volume 0.24042E-02 ppm1 3.931 ppm2 1.800 CV 1 OR { 3281} (( segid " " and resid 1733 and name HA )) (( segid " " and resid 1736 and name HG2 )) ASSI { 3282} (( segid " " and resid 1762 and name HA )) (( segid " " and resid 1762 and name HG )) 2.900 1.100 1.100 peak 3282 spectrum 1 weight 0.10000E+01 volume 0.22383E-02 ppm1 3.966 ppm2 1.815 CV 1 ASSI { 3283} (( segid " " and resid 1733 and name HA )) (( segid " " and resid 1733 and name HG2 )) 2.700 0.900 0.900 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.26582E-02 ppm1 3.926 ppm2 2.374 CV 1 ASSI { 3284} (( segid " " and resid 1733 and name HA )) (( segid " " and resid 1733 and name HG3 )) 2.500 0.800 0.800 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.83335E-02 ppm1 3.928 ppm2 2.235 CV 1 OR { 3284} (( segid " " and resid 1733 and name HA )) (( segid " " and resid 1733 and name HB2 )) ASSI { 3285} (( segid " " and resid 1775 and name HA )) (( segid " " and resid 1775 and name HB3 )) 3.000 1.100 1.100 peak 3285 spectrum 1 weight 0.10000E+01 volume 0.22586E-02 ppm1 3.997 ppm2 2.335 CV 1 ASSI { 3286} ( segid " " and resid 1741 and name HD1%) (( segid " " and resid 1741 and name HB3 )) 2.200 0.600 0.600 peak 3286 spectrum 1 weight 0.10000E+01 volume 0.10355E-01 ppm1 0.697 ppm2 1.532 CV 1 ASSI { 3289} (( segid " " and resid 1672 and name HA )) (( segid " " and resid 1672 and name HB3 )) 2.500 0.800 0.800 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.52250E-02 ppm1 3.939 ppm2 1.630 CV 1 ASSI { 3290} (( segid " " and resid 1775 and name HA )) ( segid " " and resid 1799 and name HB% ) 2.300 0.600 0.600 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.80048E-02 ppm1 3.995 ppm2 1.573 CV 1 ASSI { 3291} (( segid " " and resid 1775 and name HA )) (( segid " " and resid 1775 and name HB2 )) 2.400 0.700 0.700 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.46561E-02 ppm1 3.995 ppm2 1.357 CV 1 ASSI { 3292} (( segid " " and resid 1776 and name HA )) ( segid " " and resid 1779 and name HB% ) 2.300 0.700 0.700 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.72230E-02 ppm1 3.957 ppm2 1.353 CV 1 ASSI { 3293} (( segid " " and resid 1672 and name HA )) ( segid " " and resid 1672 and name HD1%) 2.100 0.500 0.500 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.10026E-01 ppm1 3.939 ppm2 0.989 CV 1 ASSI { 3294} (( segid " " and resid 1775 and name HA )) ( segid " " and resid 1775 and name HD2%) 2.300 0.700 0.700 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.60987E-02 ppm1 3.995 ppm2 0.881 CV 1 ASSI { 3295} (( segid " " and resid 1776 and name HA )) ( segid " " and resid 1776 and name HD2%) 2.200 0.600 0.600 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.85199E-02 ppm1 3.956 ppm2 0.877 CV 1 ASSI { 3296} (( segid " " and resid 1672 and name HA )) ( segid " " and resid 1675 and name HD1%) 2.300 0.700 0.700 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.56856E-02 ppm1 3.942 ppm2 0.797 CV 1 ASSI { 3297} (( segid " " and resid 1741 and name HB3 )) ( segid " " and resid 1741 and name HD2%) 2.700 0.900 0.900 peak 3297 spectrum 1 weight 0.10000E+01 volume 0.25973E-02 ppm1 1.531 ppm2 0.989 CV 1 ASSI { 3300} ( segid " " and resid 1741 and name HD1%) ( segid " " and resid 1768 and name HD1%) 3.900 1.900 1.900 peak 3300 spectrum 1 weight 0.10000E+01 volume 0.15137E-02 ppm1 0.693 ppm2 1.058 CV 1 ASSI { 3301} ( segid " " and resid 1741 and name HD1%) ( segid " " and resid 1741 and name HD2%) 2.200 0.600 0.600 peak 3301 spectrum 1 weight 0.10000E+01 volume 0.10199E-01 ppm1 0.697 ppm2 0.989 CV 1 ASSI { 3302} ( segid " " and resid 1741 and name HD1%) ( segid " " and resid 1768 and name HD2%) 2.400 0.700 0.700 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.49710E-02 ppm1 0.698 ppm2 0.910 CV 1 ASSI { 3308} ( segid " " and resid 1741 and name HD2%) ( segid " " and resid 1709 and name HD1%) 3.600 1.600 1.600 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.17914E-02 ppm1 0.990 ppm2 0.266 CV 1 ASSI { 3310} (( segid " " and resid 1730 and name HB2 )) (( segid " " and resid 1730 and name HG2 )) 2.500 0.800 0.800 peak 3310 spectrum 1 weight 0.10000E+01 volume 0.21774E-02 ppm1 2.056 ppm2 1.741 CV 1 ASSI { 3311} (( segid " " and resid 1730 and name HB2 )) (( segid " " and resid 1730 and name HB3 )) 2.000 0.500 0.500 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.37621E-02 ppm1 2.064 ppm2 1.675 CV 1 ASSI { 3312} (( segid " " and resid 1730 and name HB2 )) (( segid " " and resid 1730 and name HG3 )) 2.600 0.800 0.800 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.20216E-02 ppm1 2.061 ppm2 1.466 CV 1 ASSI { 3313} (( segid " " and resid 1730 and name HA )) ( segid " " and resid 1712 and name HD2%) 2.900 1.100 1.100 peak 3313 spectrum 1 weight 0.10000E+01 volume 0.15441E-02 ppm1 4.156 ppm2 1.000 CV 1 OR { 3313} (( segid " " and resid 1730 and name HA )) ( segid " " and resid 1712 and name HD1%) ASSI { 3314} (( segid " " and resid 1730 and name HB2 )) (( segid " " and resid 1730 and name H )) 3.100 1.200 1.200 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.14561E-02 ppm1 2.059 ppm2 7.918 CV 1 ASSI { 3315} (( segid " " and resid 1777 and name HB3 )) ( segid " " and resid 1777 and name HD% ) 3.000 1.100 1.100 peak 3315 spectrum 1 weight 0.10000E+01 volume 0.18387E-02 ppm1 3.151 ppm2 7.163 CV 1 ASSI { 3316} (( segid " " and resid 1777 and name HB2 )) ( segid " " and resid 1777 and name HD% ) 2.900 1.000 1.000 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.15171E-02 ppm1 3.074 ppm2 7.166 CV 1 ASSI { 3321} (( segid " " and resid 1777 and name HB3 )) (( segid " " and resid 1778 and name HA )) 3.900 1.900 1.900 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.42328E-03 ppm1 3.161 ppm2 4.079 CV 1 ASSI { 3322} (( segid " " and resid 1777 and name HB2 )) (( segid " " and resid 1778 and name HA )) 4.800 2.800 1.200 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.38265E-03 ppm1 3.087 ppm2 4.076 CV 1 ASSI { 3323} (( segid " " and resid 1777 and name HB3 )) (( segid " " and resid 1777 and name HB2 )) 1.800 0.400 0.400 peak 3323 spectrum 1 weight 0.10000E+01 volume 0.12644E-01 ppm1 3.155 ppm2 3.078 CV 1 ASSI { 3325} (( segid " " and resid 1785 and name HB3 )) (( segid " " and resid 1785 and name HA )) 3.100 1.200 1.200 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.21299E-02 ppm1 3.082 ppm2 5.019 CV 1 ASSI { 3327} (( segid " " and resid 1785 and name HB3 )) (( segid " " and resid 1785 and name HB2 )) 1.800 0.400 0.400 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.13267E-01 ppm1 3.083 ppm2 2.842 CV 1 ASSI { 3330} (( segid " " and resid 1738 and name HA )) (( segid " " and resid 1742 and name H )) 4.000 2.000 2.000 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.86689E-03 ppm1 4.265 ppm2 8.172 CV 1 ASSI { 3332} (( segid " " and resid 1738 and name HB3 )) (( segid " " and resid 1735 and name HA )) 5.400 3.600 0.600 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.32847E-03 ppm1 3.370 ppm2 3.566 CV 1 ASSI { 3333} (( segid " " and resid 1672 and name HB2 )) (( segid " " and resid 1673 and name H )) 3.500 1.600 1.600 peak 3333 spectrum 1 weight 0.10000E+01 volume 0.11886E-02 ppm1 1.944 ppm2 7.759 CV 1 ASSI { 3335} (( segid " " and resid 1672 and name HA )) (( segid " " and resid 1672 and name H )) 2.700 0.900 0.900 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.28682E-02 ppm1 3.937 ppm2 8.467 CV 1 ASSI { 3336} (( segid " " and resid 1776 and name HB2 )) (( segid " " and resid 1776 and name H )) 2.700 0.900 0.900 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.17981E-02 ppm1 1.964 ppm2 8.689 CV 1 ASSI { 3337} (( segid " " and resid 1672 and name HA )) (( segid " " and resid 1675 and name H )) 3.100 1.200 1.200 peak 3337 spectrum 1 weight 0.10000E+01 volume 0.17033E-02 ppm1 3.942 ppm2 8.563 CV 1 ASSI { 3338} (( segid " " and resid 1776 and name HA )) (( segid " " and resid 1776 and name H )) 2.700 0.900 0.900 peak 3338 spectrum 1 weight 0.10000E+01 volume 0.28750E-02 ppm1 3.955 ppm2 8.694 CV 1 ASSI { 3340} (( segid " " and resid 1733 and name HA )) (( segid " " and resid 1733 and name H )) 2.400 0.700 0.700 peak 3340 spectrum 1 weight 0.10000E+01 volume 0.56720E-02 ppm1 3.928 ppm2 8.006 CV 1 ASSI { 3341} (( segid " " and resid 1708 and name HA )) (( segid " " and resid 1707 and name H )) 4.500 2.500 1.500 peak 3341 spectrum 1 weight 0.10000E+01 volume 0.61292E-03 ppm1 3.940 ppm2 8.250 CV 1 ASSI { 3343} (( segid " " and resid 1733 and name HA )) (( segid " " and resid 1736 and name H )) 3.400 1.400 1.400 peak 3343 spectrum 1 weight 0.10000E+01 volume 0.12597E-02 ppm1 3.927 ppm2 7.357 CV 1 ASSI { 3344} (( segid " " and resid 1733 and name HA )) (( segid " " and resid 1736 and name HE21)) 2.600 0.800 0.800 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.23365E-02 ppm1 3.930 ppm2 7.222 CV 1 ASSI { 3346} (( segid " " and resid 1733 and name HA )) (( segid " " and resid 1736 and name HE22)) 3.900 1.900 1.900 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.85335E-03 ppm1 3.928 ppm2 6.691 CV 1 ASSI { 3349} (( segid " " and resid 1776 and name HB2 )) (( segid " " and resid 1773 and name HA )) 2.900 1.100 1.100 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.10091E-02 ppm1 1.963 ppm2 3.733 CV 1 ASSI { 3351} (( segid " " and resid 1762 and name HB2 )) (( segid " " and resid 1762 and name HB3 )) 1.900 0.500 0.500 peak 3351 spectrum 1 weight 0.10000E+01 volume 0.54418E-02 ppm1 2.039 ppm2 1.396 CV 1 ASSI { 3352} (( segid " " and resid 1776 and name HB2 )) (( segid " " and resid 1776 and name HB3 )) 2.000 0.500 0.500 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.46866E-02 ppm1 1.963 ppm2 1.177 CV 1 ASSI { 3353} (( segid " " and resid 1672 and name HB2 )) ( segid " " and resid 1672 and name HD1%) 2.900 1.000 1.000 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.30578E-02 ppm1 1.937 ppm2 0.991 CV 1 ASSI { 3355} (( segid " " and resid 1776 and name HB2 )) ( segid " " and resid 1776 and name HD1%) 2.700 0.900 0.900 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.27294E-02 ppm1 1.959 ppm2 0.799 CV 1 ASSI { 3356} ( segid " " and resid 1712 and name HD2%) (( segid " " and resid 1733 and name HB2 )) 2.100 0.500 0.500 peak 3356 spectrum 1 weight 0.10000E+01 volume 0.81913E-02 ppm1 0.991 ppm2 2.226 CV 1 ASSI { 3357} ( segid " " and resid 1712 and name HD2%) (( segid " " and resid 1733 and name HB3 )) 2.600 0.900 0.900 peak 3357 spectrum 1 weight 0.10000E+01 volume 0.73652E-02 ppm1 0.992 ppm2 2.055 CV 1 ASSI { 3359} ( segid " " and resid 1712 and name HD2%) (( segid " " and resid 1712 and name HG )) 2.200 0.600 0.600 peak 3359 spectrum 1 weight 0.10000E+01 volume 0.65863E-02 ppm1 0.992 ppm2 1.795 CV 1 ASSI { 3360} ( segid " " and resid 1672 and name HD1%) ( segid " " and resid 1769 and name HB% ) 2.100 0.500 0.500 peak 3360 spectrum 1 weight 0.10000E+01 volume 0.13846E-01 ppm1 0.990 ppm2 1.336 CV 1 ASSI { 3361} ( segid " " and resid 1672 and name HD1%) (( segid " " and resid 1766 and name HG3 )) 2.200 0.600 0.600 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.74700E-02 ppm1 0.993 ppm2 1.498 CV 1 ASSI { 3362} ( segid " " and resid 1672 and name HD1%) (( segid " " and resid 1672 and name HG )) 2.000 0.500 0.500 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.14943E-01 ppm1 0.990 ppm2 1.623 CV 1 ASSI { 3363} ( segid " " and resid 1672 and name HD1%) ( segid " " and resid 1675 and name HD1%) 3.500 1.500 1.500 peak 3363 spectrum 1 weight 0.10000E+01 volume 0.13003E-02 ppm1 0.992 ppm2 0.810 CV 1 ASSI { 3364} ( segid " " and resid 1672 and name HD2%) ( segid " " and resid 1672 and name HD1%) 1.900 0.500 0.500 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.24042E-01 ppm1 0.901 ppm2 0.986 CV 1 ASSI { 3366} ( segid " " and resid 1672 and name HD2%) (( segid " " and resid 1672 and name HG )) 2.100 0.600 0.600 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.12699E-01 ppm1 0.899 ppm2 1.621 CV 1 ASSI { 3367} ( segid " " and resid 1672 and name HD2%) (( segid " " and resid 1672 and name HB2 )) 2.300 0.700 0.700 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.67827E-02 ppm1 0.899 ppm2 1.941 CV 1 ASSI { 3368} ( segid " " and resid 1672 and name HD2%) (( segid " " and resid 1770 and name HG3 )) 3.400 1.500 1.500 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.25973E-02 ppm1 0.901 ppm2 2.226 CV 1 ASSI { 3369} ( segid " " and resid 1712 and name HD2%) (( segid " " and resid 1709 and name HA )) 3.100 1.200 1.200 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.18726E-02 ppm1 0.993 ppm2 3.441 CV 1 ASSI { 3370} ( segid " " and resid 1712 and name HD2%) (( segid " " and resid 1734 and name HA )) 2.200 0.600 0.600 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.69181E-02 ppm1 0.991 ppm2 4.040 CV 1 ASSI { 3371} ( segid " " and resid 1672 and name HD2%) (( segid " " and resid 1770 and name HA )) 2.600 0.900 0.900 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.41651E-02 ppm1 0.898 ppm2 3.954 CV 1 ASSI { 3372} ( segid " " and resid 1672 and name HD1%) (( segid " " and resid 1766 and name HA )) 2.600 0.900 0.900 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.56517E-02 ppm1 0.993 ppm2 3.846 CV 1 ASSI { 3375} ( segid " " and resid 1712 and name HD2%) (( segid " " and resid 1712 and name H )) 3.800 1.800 1.800 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.10904E-02 ppm1 0.989 ppm2 7.725 CV 1 ASSI { 3376} ( segid " " and resid 1712 and name HD2%) (( segid " " and resid 1734 and name H )) 2.600 0.800 0.800 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.31695E-02 ppm1 0.994 ppm2 7.964 CV 1 ASSI { 3378} ( segid " " and resid 1672 and name HD1%) (( segid " " and resid 1770 and name H )) 3.200 1.300 1.300 peak 3378 spectrum 1 weight 0.10000E+01 volume 0.17676E-02 ppm1 0.990 ppm2 9.242 CV 1 ASSI { 3379} (( segid " " and resid 1708 and name HA )) (( segid " " and resid 1711 and name HB2 )) 3.100 1.200 1.200 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.13342E-02 ppm1 3.933 ppm2 3.369 CV 1 ASSI { 3380} (( segid " " and resid 1708 and name HA )) (( segid " " and resid 1711 and name HB3 )) 3.300 1.400 1.400 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.16728E-02 ppm1 3.934 ppm2 3.268 CV 1 ASSI { 3381} (( segid " " and resid 1670 and name HB3 )) (( segid " " and resid 1670 and name H )) 2.500 0.800 0.800 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.43615E-02 ppm1 4.091 ppm2 7.883 CV 1 ASSI { 3382} (( segid " " and resid 1670 and name HB2 )) (( segid " " and resid 1670 and name H )) 2.600 0.800 0.800 peak 3382 spectrum 1 weight 0.10000E+01 volume 0.48322E-02 ppm1 4.221 ppm2 7.883 CV 1 ASSI { 3383} (( segid " " and resid 1670 and name HB3 )) (( segid " " and resid 1671 and name H )) 2.900 1.100 1.100 peak 3383 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 4.094 ppm2 7.979 CV 1 ASSI { 3384} (( segid " " and resid 1670 and name HB2 )) (( segid " " and resid 1671 and name H )) 3.700 1.700 1.700 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.21977E-02 ppm1 4.220 ppm2 7.981 CV 1 ASSI { 3385} (( segid " " and resid 1670 and name HB2 )) (( segid " " and resid 1669 and name H )) 5.000 3.100 1.000 peak 3385 spectrum 1 weight 0.10000E+01 volume 0.37587E-03 ppm1 4.218 ppm2 8.655 CV 1 ASSI { 3386} (( segid " " and resid 1670 and name HA )) (( segid " " and resid 1673 and name H )) 3.300 1.400 1.400 peak 3386 spectrum 1 weight 0.10000E+01 volume 0.10159E-02 ppm1 4.221 ppm2 7.759 CV 1 ASSI { 3389} (( segid " " and resid 1777 and name HA )) (( segid " " and resid 1780 and name HB3 )) 2.900 1.000 1.000 peak 3389 spectrum 1 weight 0.10000E+01 volume 0.17710E-02 ppm1 4.217 ppm2 1.932 CV 1 ASSI { 3393} (( segid " " and resid 1671 and name HA )) (( segid " " and resid 1675 and name H )) 3.900 1.900 1.900 peak 3393 spectrum 1 weight 0.10000E+01 volume 0.48085E-03 ppm1 4.364 ppm2 8.564 CV 1 ASSI { 3394} (( segid " " and resid 1671 and name HA )) (( segid " " and resid 1672 and name H )) 3.600 1.600 1.600 peak 3394 spectrum 1 weight 0.10000E+01 volume 0.75850E-03 ppm1 4.366 ppm2 8.475 CV 1 ASSI { 3396} (( segid " " and resid 1671 and name HB3 )) (( segid " " and resid 1668 and name HA )) 3.000 1.100 1.100 peak 3396 spectrum 1 weight 0.10000E+01 volume 0.19538E-02 ppm1 3.245 ppm2 3.878 CV 1 OR { 3396} (( segid " " and resid 1671 and name HB2 )) (( segid " " and resid 1668 and name HA )) ASSI { 3399} (( segid " " and resid 1671 and name HB3 )) ( segid " " and resid 1675 and name HD1%) 3.900 1.900 1.900 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.48424E-03 ppm1 3.244 ppm2 0.801 CV 1 OR { 3399} (( segid " " and resid 1671 and name HB2 )) ( segid " " and resid 1675 and name HD1%) ASSI { 3400} (( segid " " and resid 1671 and name HA )) ( segid " " and resid 1675 and name HD1%) 4.600 2.700 1.400 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.22349E-03 ppm1 4.368 ppm2 0.795 CV 1 ASSI { 3403} (( segid " " and resid 1671 and name HB2 )) ( segid " " and resid 1667 and name HB% ) 4.000 2.000 2.000 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.46731E-03 ppm1 3.233 ppm2 1.631 CV 1 OR { 3403} (( segid " " and resid 1671 and name HB3 )) ( segid " " and resid 1667 and name HB% ) ASSI { 3407} (( segid " " and resid 1791 and name HB3 )) ( segid " " and resid 1790 and name HB% ) 4.300 2.300 1.700 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 3.265 ppm2 1.486 CV 1 OR { 3407} (( segid " " and resid 1791 and name HB2 )) ( segid " " and resid 1790 and name HB% ) ASSI { 3410} (( segid " " and resid 1712 and name HA )) (( segid " " and resid 1712 and name H )) 2.700 0.900 0.900 peak 3410 spectrum 1 weight 0.10000E+01 volume 0.22925E-02 ppm1 4.405 ppm2 7.713 CV 1 ASSI { 3411} (( segid " " and resid 1712 and name HA )) (( segid " " and resid 1716 and name H )) 4.500 2.500 1.500 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.47747E-03 ppm1 4.405 ppm2 8.087 CV 1 ASSI { 3412} (( segid " " and resid 1712 and name HB2 )) (( segid " " and resid 1713 and name H )) 4.300 2.300 1.700 peak 3412 spectrum 1 weight 0.10000E+01 volume 0.41312E-03 ppm1 1.938 ppm2 7.273 CV 1 ASSI { 3413} (( segid " " and resid 1712 and name HA )) (( segid " " and resid 1714 and name H )) 4.600 2.700 1.400 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.43683E-03 ppm1 4.403 ppm2 8.895 CV 1 ASSI { 3416} ( segid " " and resid 1712 and name HD1%) (( segid " " and resid 1712 and name HA )) 2.500 2.500 3.500 peak 3416 spectrum 1 weight 0.10000E+01 volume 0.93902E-02 ppm1 1.003 ppm2 4.408 CV 1 ASSI { 3418} ( segid " " and resid 1712 and name HD1%) (( segid " " and resid 1712 and name H )) 3.700 1.800 1.800 peak 3418 spectrum 1 weight 0.10000E+01 volume 0.16762E-02 ppm1 1.006 ppm2 7.711 CV 1 ASSI { 3420} (( segid " " and resid 1712 and name HB3 )) (( segid " " and resid 1709 and name HA )) 4.300 2.400 1.700 peak 3420 spectrum 1 weight 0.10000E+01 volume 0.54857E-03 ppm1 1.660 ppm2 3.432 CV 1 ASSI { 3423} (( segid " " and resid 1712 and name HB2 )) (( segid " " and resid 1734 and name HG3 )) 5.100 3.200 0.900 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.43006E-03 ppm1 1.926 ppm2 2.489 CV 1 ASSI { 3424} (( segid " " and resid 1712 and name HB2 )) ( segid " " and resid 1734 and name HE% ) 4.000 2.000 2.000 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.18997E-02 ppm1 1.932 ppm2 2.022 CV 1 ASSI { 3425} (( segid " " and resid 1712 and name HB3 )) (( segid " " and resid 1712 and name HB2 )) 2.000 0.500 0.500 peak 3425 spectrum 1 weight 0.10000E+01 volume 0.51810E-02 ppm1 1.658 ppm2 1.933 CV 1 ASSI { 3426} (( segid " " and resid 1712 and name HA )) (( segid " " and resid 1715 and name HG2 )) 2.400 0.700 0.700 peak 3426 spectrum 1 weight 0.10000E+01 volume 0.30917E-02 ppm1 4.405 ppm2 2.373 CV 1 ASSI { 3427} (( segid " " and resid 1712 and name HA )) (( segid " " and resid 1715 and name HG3 )) 3.000 1.100 1.100 peak 3427 spectrum 1 weight 0.10000E+01 volume 0.15712E-02 ppm1 4.409 ppm2 2.083 CV 1 ASSI { 3428} (( segid " " and resid 1712 and name HA )) (( segid " " and resid 1712 and name HB2 )) 2.700 0.900 0.900 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.19843E-02 ppm1 4.405 ppm2 1.934 CV 1 ASSI { 3429} (( segid " " and resid 1712 and name HA )) (( segid " " and resid 1712 and name HG )) 3.100 1.200 1.200 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.23873E-02 ppm1 4.406 ppm2 1.794 CV 1 ASSI { 3430} (( segid " " and resid 1712 and name HA )) (( segid " " and resid 1712 and name HB3 )) 2.500 0.800 0.800 peak 3430 spectrum 1 weight 0.10000E+01 volume 0.34202E-02 ppm1 4.404 ppm2 1.671 CV 1 ASSI { 3431} (( segid " " and resid 1712 and name HB3 )) (( segid " " and resid 1712 and name HG )) 2.700 0.900 0.900 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.23704E-02 ppm1 1.657 ppm2 1.795 CV 1 ASSI { 3432} (( segid " " and resid 1712 and name HB2 )) (( segid " " and resid 1712 and name HG )) 3.000 1.200 1.200 peak 3432 spectrum 1 weight 0.10000E+01 volume 0.19607E-02 ppm1 1.934 ppm2 1.796 CV 1 ASSI { 3434} (( segid " " and resid 1712 and name HB2 )) ( segid " " and resid 1712 and name HD1%) 2.500 0.800 0.800 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.32305E-02 ppm1 1.934 ppm2 0.997 CV 1 OR { 3434} (( segid " " and resid 1712 and name HB2 )) ( segid " " and resid 1712 and name HD2%) ASSI { 3435} (( segid " " and resid 1712 and name HB3 )) ( segid " " and resid 1712 and name HD2%) 2.500 0.800 0.800 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.41380E-02 ppm1 1.659 ppm2 1.000 CV 1 OR { 3435} (( segid " " and resid 1712 and name HB3 )) ( segid " " and resid 1712 and name HD1%) ASSI { 3436} (( segid " " and resid 1712 and name HA )) ( segid " " and resid 1712 and name HD1%) 2.800 1.000 1.000 peak 3436 spectrum 1 weight 0.10000E+01 volume 0.66980E-02 ppm1 4.405 ppm2 1.002 CV 1 OR { 3436} (( segid " " and resid 1712 and name HA )) ( segid " " and resid 1712 and name HD2%) ASSI { 3437} ( segid " " and resid 1712 and name HD1%) (( segid " " and resid 1730 and name HB3 )) 2.000 0.500 0.500 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.10199E-01 ppm1 1.001 ppm2 1.681 CV 1 ASSI { 3438} ( segid " " and resid 1712 and name HD1%) (( segid " " and resid 1712 and name HB2 )) 2.200 0.600 0.600 peak 3438 spectrum 1 weight 0.10000E+01 volume 0.56957E-02 ppm1 0.999 ppm2 1.932 CV 1 ASSI { 3439} ( segid " " and resid 1712 and name HD1%) (( segid " " and resid 1712 and name HG )) 2.000 0.500 0.500 peak 3439 spectrum 1 weight 0.10000E+01 volume 0.11489E-01 ppm1 1.004 ppm2 1.793 CV 1 ASSI { 3440} ( segid " " and resid 1712 and name HD1%) (( segid " " and resid 1733 and name HB2 )) 3.100 1.200 1.200 peak 3440 spectrum 1 weight 0.10000E+01 volume 0.42091E-02 ppm1 1.003 ppm2 2.231 CV 1 ASSI { 3441} ( segid " " and resid 1712 and name HD1%) (( segid " " and resid 1715 and name HG2 )) 2.700 0.900 0.900 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.41752E-02 ppm1 1.004 ppm2 2.373 CV 1 ASSI { 3444} (( segid " " and resid 1712 and name HG )) ( segid " " and resid 1712 and name HD1%) 2.100 0.600 0.600 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.76803E-02 ppm1 1.795 ppm2 1.000 CV 1 OR { 3444} (( segid " " and resid 1712 and name HG )) ( segid " " and resid 1712 and name HD2%) ASSI { 3445} ( segid " " and resid 1712 and name HD1%) ( segid " " and resid 1737 and name HE% ) 4.300 2.300 1.700 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.11988E-02 ppm1 0.996 ppm2 6.758 CV 1 ASSI { 3446} (( segid " " and resid 1715 and name HG2 )) (( segid " " and resid 1714 and name H )) 5.000 3.100 1.000 peak 3446 spectrum 1 weight 0.10000E+01 volume 0.48762E-03 ppm1 2.371 ppm2 8.901 CV 1 ASSI { 3447} (( segid " " and resid 1713 and name HB )) (( segid " " and resid 1712 and name H )) 4.900 3.000 1.100 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.35556E-03 ppm1 1.930 ppm2 7.712 CV 1 ASSI { 3448} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1712 and name H )) 3.200 3.200 2.800 peak 3448 spectrum 1 weight 0.10000E+01 volume 0.59599E-03 ppm1 1.010 ppm2 7.708 CV 1 ASSI { 3449} (( segid " " and resid 1713 and name HA )) (( segid " " and resid 1710 and name HA )) 4.900 3.000 1.100 peak 3449 spectrum 1 weight 0.10000E+01 volume 0.50455E-03 ppm1 3.342 ppm2 4.058 CV 1 ASSI { 3451} (( segid " " and resid 1713 and name HA )) (( segid " " and resid 1734 and name HG3 )) 4.500 2.500 1.500 peak 3451 spectrum 1 weight 0.10000E+01 volume 0.25735E-03 ppm1 3.335 ppm2 2.484 CV 1 ASSI { 3452} (( segid " " and resid 1713 and name HB )) (( segid " " and resid 1714 and name HG3 )) 4.000 2.000 2.000 peak 3452 spectrum 1 weight 0.10000E+01 volume 0.43006E-03 ppm1 1.920 ppm2 2.369 CV 1 ASSI { 3453} (( segid " " and resid 1713 and name HA )) ( segid " " and resid 1734 and name HE% ) 2.600 0.800 0.800 peak 3453 spectrum 1 weight 0.10000E+01 volume 0.48322E-02 ppm1 3.334 ppm2 2.022 CV 1 ASSI { 3456} (( segid " " and resid 1714 and name HB3 )) ( segid " " and resid 1717 and name HB% ) 4.500 2.500 1.500 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.29799E-03 ppm1 2.064 ppm2 1.460 CV 1 ASSI { 3457} (( segid " " and resid 1715 and name HG3 )) (( segid " " and resid 1715 and name HD2 )) 2.900 1.100 1.100 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.22248E-02 ppm1 2.085 ppm2 3.609 CV 1 ASSI { 3458} (( segid " " and resid 1715 and name HG3 )) (( segid " " and resid 1715 and name HB3 )) 2.600 0.900 0.900 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.22248E-02 ppm1 2.094 ppm2 1.682 CV 1 ASSI { 3459} (( segid " " and resid 1715 and name HG3 )) (( segid " " and resid 1715 and name HG2 )) 1.800 0.400 0.400 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.11808E-01 ppm1 2.087 ppm2 2.374 CV 1 ASSI { 3460} (( segid " " and resid 1715 and name HG3 )) (( segid " " and resid 1715 and name HD3 )) 2.500 0.800 0.800 peak 3460 spectrum 1 weight 0.10000E+01 volume 0.24212E-02 ppm1 2.093 ppm2 3.751 CV 1 ASSI { 3462} (( segid " " and resid 1715 and name HG3 )) (( segid " " and resid 1714 and name H )) 5.600 4.000 0.400 peak 3462 spectrum 1 weight 0.10000E+01 volume 0.33524E-03 ppm1 2.093 ppm2 8.896 CV 1 ASSI { 3465} (( segid " " and resid 1715 and name HG2 )) (( segid " " and resid 1716 and name H )) 3.300 1.300 1.300 peak 3465 spectrum 1 weight 0.10000E+01 volume 0.54857E-03 ppm1 2.370 ppm2 8.090 CV 1 ASSI { 3469} (( segid " " and resid 1715 and name HG2 )) (( segid " " and resid 1715 and name HA )) 3.600 1.700 1.700 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 2.368 ppm2 4.315 CV 1 ASSI { 3470} (( segid " " and resid 1715 and name HB2 )) (( segid " " and resid 1712 and name HA )) 4.700 2.700 1.300 peak 3470 spectrum 1 weight 0.10000E+01 volume 0.77884E-03 ppm1 2.391 ppm2 4.405 CV 1 ASSI { 3472} (( segid " " and resid 1756 and name HD3 )) (( segid " " and resid 1756 and name HG2 )) 3.200 1.200 1.200 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.27260E-02 ppm1 3.825 ppm2 2.137 CV 1 ASSI { 3473} (( segid " " and resid 1756 and name HD3 )) (( segid " " and resid 1756 and name HG3 )) 2.600 0.800 0.800 peak 3473 spectrum 1 weight 0.10000E+01 volume 0.29596E-02 ppm1 3.825 ppm2 2.042 CV 1 ASSI { 3474} (( segid " " and resid 1715 and name HG2 )) (( segid " " and resid 1715 and name HB3 )) 3.100 1.200 1.200 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.30477E-02 ppm1 2.369 ppm2 1.685 CV 1 ASSI { 3476} (( segid " " and resid 1715 and name HG3 )) (( segid " " and resid 1716 and name H )) 4.900 3.000 1.100 peak 3476 spectrum 1 weight 0.10000E+01 volume 0.44022E-03 ppm1 2.097 ppm2 8.091 CV 1 ASSI { 3477} (( segid " " and resid 1786 and name HB3 )) (( segid " " and resid 1785 and name HA )) 5.700 4.100 0.300 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.16932E-03 ppm1 2.432 ppm2 5.018 CV 1 ASSI { 3478} (( segid " " and resid 1786 and name HA )) (( segid " " and resid 1786 and name HD2 )) 3.600 1.600 1.600 peak 3478 spectrum 1 weight 0.10000E+01 volume 0.11513E-02 ppm1 4.584 ppm2 4.053 CV 1 ASSI { 3479} (( segid " " and resid 1786 and name HA )) (( segid " " and resid 1786 and name HD3 )) 3.600 1.600 1.600 peak 3479 spectrum 1 weight 0.10000E+01 volume 0.93460E-03 ppm1 4.584 ppm2 3.937 CV 1 ASSI { 3480} (( segid " " and resid 1786 and name HB2 )) (( segid " " and resid 1786 and name HD2 )) 3.700 1.700 1.700 peak 3480 spectrum 1 weight 0.10000E+01 volume 0.12733E-02 ppm1 2.050 ppm2 4.060 CV 1 ASSI { 3485} (( segid " " and resid 1786 and name HD3 )) (( segid " " and resid 1785 and name HA )) 2.400 0.700 0.700 peak 3485 spectrum 1 weight 0.10000E+01 volume 0.67963E-02 ppm1 3.937 ppm2 5.019 CV 1 ASSI { 3486} (( segid " " and resid 1786 and name HG2 )) (( segid " " and resid 1785 and name HA )) 4.700 2.800 1.300 peak 3486 spectrum 1 weight 0.10000E+01 volume 0.82287E-03 ppm1 2.138 ppm2 5.019 CV 1 OR { 3486} (( segid " " and resid 1786 and name HG3 )) (( segid " " and resid 1785 and name HA )) ASSI { 3487} (( segid " " and resid 1786 and name HD2 )) (( segid " " and resid 1786 and name HD3 )) 1.800 0.400 0.400 peak 3487 spectrum 1 weight 0.10000E+01 volume 0.13156E-01 ppm1 4.060 ppm2 3.938 CV 1 ASSI { 3489} (( segid " " and resid 1786 and name HB3 )) (( segid " " and resid 1786 and name HD3 )) 3.600 1.600 1.600 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.98543E-03 ppm1 2.439 ppm2 3.938 CV 1 ASSI { 3490} (( segid " " and resid 1786 and name HB3 )) (( segid " " and resid 1786 and name HD2 )) 3.800 1.800 1.800 peak 3490 spectrum 1 weight 0.10000E+01 volume 0.14764E-02 ppm1 2.445 ppm2 4.056 CV 1 ASSI { 3492} (( segid " " and resid 1786 and name HD3 )) (( segid " " and resid 1786 and name HG3 )) 2.500 0.800 0.800 peak 3492 spectrum 1 weight 0.10000E+01 volume 0.49338E-02 ppm1 3.937 ppm2 2.135 CV 1 OR { 3492} (( segid " " and resid 1786 and name HD3 )) (( segid " " and resid 1786 and name HG2 )) ASSI { 3497} (( segid " " and resid 1786 and name HD3 )) (( segid " " and resid 1785 and name HB2 )) 4.500 2.500 1.500 peak 3497 spectrum 1 weight 0.10000E+01 volume 0.69760E-03 ppm1 3.939 ppm2 2.843 CV 1 ASSI { 3498} (( segid " " and resid 1786 and name HD2 )) (( segid " " and resid 1785 and name HB3 )) 5.100 3.300 0.900 peak 3498 spectrum 1 weight 0.10000E+01 volume 0.32170E-03 ppm1 4.061 ppm2 3.080 CV 1 ASSI { 3499} (( segid " " and resid 1786 and name HD3 )) (( segid " " and resid 1785 and name HB3 )) 4.400 2.400 1.600 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.64001E-03 ppm1 3.933 ppm2 3.085 CV 1 ASSI { 3500} (( segid " " and resid 1786 and name HA )) (( segid " " and resid 1786 and name HB3 )) 2.300 0.600 0.600 peak 3500 spectrum 1 weight 0.10000E+01 volume 0.75850E-02 ppm1 4.583 ppm2 2.441 CV 1 ASSI { 3501} (( segid " " and resid 1786 and name HA )) (( segid " " and resid 1786 and name HG2 )) 3.500 1.500 1.500 peak 3501 spectrum 1 weight 0.10000E+01 volume 0.25092E-02 ppm1 4.583 ppm2 2.146 CV 1 ASSI { 3502} (( segid " " and resid 1786 and name HA )) (( segid " " and resid 1786 and name HB2 )) 2.800 1.000 1.000 peak 3502 spectrum 1 weight 0.10000E+01 volume 0.44394E-02 ppm1 4.582 ppm2 2.051 CV 1 ASSI { 3505} (( segid " " and resid 1786 and name HA )) ( segid " " and resid 1789 and name HB% ) 2.900 1.000 1.000 peak 3505 spectrum 1 weight 0.10000E+01 volume 0.23501E-02 ppm1 4.584 ppm2 1.494 CV 1 ASSI { 3506} (( segid " " and resid 1786 and name HB3 )) ( segid " " and resid 1789 and name HB% ) 4.400 2.400 1.600 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.59260E-03 ppm1 2.432 ppm2 1.495 CV 1 ASSI { 3507} (( segid " " and resid 1786 and name HB3 )) ( segid " " and resid 1722 and name HB% ) 4.000 2.000 2.000 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.55535E-03 ppm1 2.449 ppm2 1.414 CV 1 ASSI { 3508} (( segid " " and resid 1786 and name HA )) (( segid " " and resid 1785 and name HA )) 4.800 2.800 1.200 peak 3508 spectrum 1 weight 0.10000E+01 volume 0.20656E-03 ppm1 4.595 ppm2 5.026 CV 1 ASSI { 3509} (( segid " " and resid 1786 and name HD2 )) (( segid " " and resid 1785 and name H )) 4.800 2.800 1.200 peak 3509 spectrum 1 weight 0.10000E+01 volume 0.40635E-03 ppm1 4.056 ppm2 7.650 CV 1 ASSI { 3510} (( segid " " and resid 1786 and name HD3 )) (( segid " " and resid 1785 and name H )) 3.500 1.600 1.600 peak 3510 spectrum 1 weight 0.10000E+01 volume 0.58244E-03 ppm1 3.939 ppm2 7.657 CV 1 ASSI { 3511} (( segid " " and resid 1786 and name HD2 )) (( segid " " and resid 1787 and name H )) 3.400 1.500 1.500 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.54519E-03 ppm1 4.060 ppm2 8.081 CV 1 ASSI { 3512} (( segid " " and resid 1786 and name HD3 )) (( segid " " and resid 1787 and name H )) 4.300 2.300 1.700 peak 3512 spectrum 1 weight 0.10000E+01 volume 0.71447E-03 ppm1 3.933 ppm2 8.080 CV 1 ASSI { 3518} (( segid " " and resid 1776 and name HA )) (( segid " " and resid 1777 and name H )) 3.400 1.400 1.400 peak 3518 spectrum 1 weight 0.10000E+01 volume 0.94814E-03 ppm1 3.958 ppm2 8.883 CV 1 ASSI { 3519} (( segid " " and resid 1756 and name HB3 )) (( segid " " and resid 1756 and name HA )) 2.600 0.800 0.800 peak 3519 spectrum 1 weight 0.10000E+01 volume 0.32237E-02 ppm1 1.800 ppm2 4.197 CV 1 ASSI { 3521} (( segid " " and resid 1756 and name HD2 )) (( segid " " and resid 1756 and name HD3 )) 2.200 0.600 0.600 peak 3521 spectrum 1 weight 0.10000E+01 volume 0.44157E-02 ppm1 4.090 ppm2 3.824 CV 1 ASSI { 3524} (( segid " " and resid 1756 and name HD2 )) (( segid " " and resid 1756 and name HG2 )) 2.900 1.100 1.100 peak 3524 spectrum 1 weight 0.10000E+01 volume 0.13749E-02 ppm1 4.091 ppm2 2.137 CV 1 ASSI { 3525} (( segid " " and resid 1756 and name HD2 )) (( segid " " and resid 1756 and name HG3 )) 3.700 1.700 1.700 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.11310E-02 ppm1 4.097 ppm2 2.041 CV 1 ASSI { 3526} (( segid " " and resid 1756 and name HD2 )) (( segid " " and resid 1756 and name HB3 )) 4.400 2.400 1.600 peak 3526 spectrum 1 weight 0.10000E+01 volume 0.65016E-03 ppm1 4.086 ppm2 1.793 CV 1 ASSI { 3528} (( segid " " and resid 1756 and name HB3 )) (( segid " " and resid 1756 and name HG2 )) 3.000 1.100 1.100 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.34675E-02 ppm1 1.800 ppm2 2.136 CV 1 ASSI { 3532} (( segid " " and resid 1675 and name HB3 )) (( segid " " and resid 1675 and name HA )) 2.700 0.900 0.900 peak 3532 spectrum 1 weight 0.10000E+01 volume 0.20047E-02 ppm1 1.384 ppm2 4.020 CV 1 ASSI { 3534} (( segid " " and resid 1675 and name HB2 )) (( segid " " and resid 1675 and name HG )) 2.600 0.900 0.900 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.19437E-02 ppm1 2.045 ppm2 1.970 CV 1 ASSI { 3535} (( segid " " and resid 1675 and name HA )) (( segid " " and resid 1675 and name HG )) 2.800 0.900 0.900 peak 3535 spectrum 1 weight 0.10000E+01 volume 0.23129E-02 ppm1 4.019 ppm2 1.955 CV 1 ASSI { 3536} (( segid " " and resid 1675 and name HA )) (( segid " " and resid 1675 and name HB2 )) 2.900 1.100 1.100 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.23636E-02 ppm1 4.020 ppm2 2.059 CV 1 ASSI { 3539} ( segid " " and resid 1675 and name HD1%) (( segid " " and resid 1675 and name H )) 3.500 1.500 1.500 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.18387E-02 ppm1 0.801 ppm2 8.563 CV 1 ASSI { 3540} ( segid " " and resid 1675 and name HD2%) (( segid " " and resid 1675 and name H )) 3.800 1.800 1.800 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.17880E-02 ppm1 0.947 ppm2 8.557 CV 1 ASSI { 3541} (( segid " " and resid 1675 and name HA )) (( segid " " and resid 1676 and name H )) 3.300 1.400 1.400 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 4.009 ppm2 8.707 CV 1 ASSI { 3542} (( segid " " and resid 1675 and name HA )) (( segid " " and resid 1675 and name H )) 2.800 1.000 1.000 peak 3542 spectrum 1 weight 0.10000E+01 volume 0.23365E-02 ppm1 4.021 ppm2 8.561 CV 1 ASSI { 3543} ( segid " " and resid 1675 and name HD2%) (( segid " " and resid 1675 and name HA )) 2.100 0.500 0.500 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.11006E-01 ppm1 0.952 ppm2 4.022 CV 1 ASSI { 3544} ( segid " " and resid 1675 and name HD1%) (( segid " " and resid 1675 and name HA )) 3.700 1.700 1.700 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.21334E-02 ppm1 0.795 ppm2 4.016 CV 1 ASSI { 3546} ( segid " " and resid 1675 and name HD1%) (( segid " " and resid 1766 and name HA )) 2.100 0.600 0.600 peak 3546 spectrum 1 weight 0.10000E+01 volume 0.66642E-02 ppm1 0.798 ppm2 3.846 CV 1 ASSI { 3547} ( segid " " and resid 1675 and name HD1%) (( segid " " and resid 1675 and name HB2 )) 2.300 0.600 0.600 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.53808E-02 ppm1 0.797 ppm2 2.057 CV 1 ASSI { 3548} ( segid " " and resid 1675 and name HD1%) (( segid " " and resid 1675 and name HG )) 2.100 0.600 0.600 peak 3548 spectrum 1 weight 0.10000E+01 volume 0.80933E-02 ppm1 0.796 ppm2 1.952 CV 1 ASSI { 3551} (( segid " " and resid 1675 and name HB3 )) ( segid " " and resid 1675 and name HD2%) 2.600 0.800 0.800 peak 3551 spectrum 1 weight 0.10000E+01 volume 0.24483E-02 ppm1 1.387 ppm2 0.956 CV 1 ASSI { 3553} ( segid " " and resid 1675 and name HD1%) ( segid " " and resid 1765 and name HG2%) 2.300 0.600 0.600 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.70365E-02 ppm1 0.798 ppm2 1.136 CV 1 ASSI { 3555} ( segid " " and resid 1687 and name HD2%) (( segid " " and resid 1678 and name HA )) 2.400 0.700 0.700 peak 3555 spectrum 1 weight 0.10000E+01 volume 0.64035E-02 ppm1 0.959 ppm2 4.273 CV 1 ASSI { 3556} (( segid " " and resid 1743 and name HB3 )) (( segid " " and resid 1744 and name H )) 3.400 1.400 1.400 peak 3556 spectrum 1 weight 0.10000E+01 volume 0.22079E-02 ppm1 1.590 ppm2 8.099 CV 1 ASSI { 3560} (( segid " " and resid 1743 and name HB2 )) (( segid " " and resid 1743 and name HA )) 2.900 1.000 1.000 peak 3560 spectrum 1 weight 0.10000E+01 volume 0.36910E-02 ppm1 1.755 ppm2 4.083 CV 1 ASSI { 3561} (( segid " " and resid 1743 and name HB2 )) (( segid " " and resid 1739 and name HG2 )) 4.000 2.000 2.000 peak 3561 spectrum 1 weight 0.10000E+01 volume 0.49440E-03 ppm1 1.754 ppm2 2.344 CV 1 ASSI { 3562} (( segid " " and resid 1743 and name HB3 )) (( segid " " and resid 1743 and name HB2 )) 1.700 0.400 0.500 peak 3562 spectrum 1 weight 0.10000E+01 volume 0.14520E-01 ppm1 1.598 ppm2 1.762 CV 1 ASSI { 3563} (( segid " " and resid 1743 and name HB3 )) (( segid " " and resid 1743 and name HG )) 2.300 0.700 0.700 peak 3563 spectrum 1 weight 0.10000E+01 volume 0.92480E-02 ppm1 1.596 ppm2 1.698 CV 1 ASSI { 3565} (( segid " " and resid 1679 and name HB2 )) ( segid " " and resid 1759 and name HE% ) 3.700 1.700 1.700 peak 3565 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 4.128 ppm2 2.010 CV 1 ASSI { 3566} (( segid " " and resid 1732 and name HB2 )) ( segid " " and resid 1735 and name HB% ) 4.100 2.100 1.900 peak 3566 spectrum 1 weight 0.10000E+01 volume 0.78898E-03 ppm1 3.995 ppm2 1.436 CV 1 ASSI { 3568} (( segid " " and resid 1668 and name HG )) ( segid " " and resid 1738 and name HD% ) 4.400 2.500 1.600 peak 3568 spectrum 1 weight 0.10000E+01 volume 0.51471E-03 ppm1 1.301 ppm2 7.280 CV 1 ASSI { 3569} (( segid " " and resid 1669 and name HB2 )) (( segid " " and resid 1672 and name HB2 )) 4.500 2.500 1.500 peak 3569 spectrum 1 weight 0.10000E+01 volume 0.43344E-03 ppm1 2.687 ppm2 1.945 CV 1 ASSI { 3572} (( segid " " and resid 1815 and name HB2 )) ( segid " " and resid 1812 and name HG2%) 3.800 1.800 1.800 peak 3572 spectrum 1 weight 0.10000E+01 volume 0.74496E-03 ppm1 2.958 ppm2 1.266 CV 1 ASSI { 3573} (( segid " " and resid 1815 and name HB2 )) ( segid " " and resid 1811 and name HG2%) 3.600 1.600 1.600 peak 3573 spectrum 1 weight 0.10000E+01 volume 0.62985E-03 ppm1 2.961 ppm2 1.167 CV 1 ASSI { 3574} (( segid " " and resid 1669 and name HB2 )) ( segid " " and resid 1665 and name HG2%) 3.600 1.600 1.600 peak 3574 spectrum 1 weight 0.10000E+01 volume 0.51471E-03 ppm1 2.678 ppm2 0.837 CV 1 ASSI { 3575} (( segid " " and resid 1669 and name HB2 )) ( segid " " and resid 1672 and name HD2%) 4.600 2.700 1.400 peak 3575 spectrum 1 weight 0.10000E+01 volume 0.34202E-03 ppm1 2.693 ppm2 0.910 CV 1 ASSI { 3577} (( segid " " and resid 1669 and name HA )) ( segid " " and resid 1672 and name HD1%) 4.200 2.200 1.800 peak 3577 spectrum 1 weight 0.10000E+01 volume 0.78225E-03 ppm1 4.520 ppm2 0.991 CV 1 ASSI { 3578} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1668 and name HB2 )) 4.800 2.900 1.200 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.50455E-03 ppm1 4.518 ppm2 1.289 CV 1 ASSI { 3579} (( segid " " and resid 1815 and name HB2 )) (( segid " " and resid 1703 and name HB2 )) 5.300 3.500 0.700 peak 3579 spectrum 1 weight 0.10000E+01 volume 0.27429E-03 ppm1 2.972 ppm2 1.627 CV 1 ASSI { 3580} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1668 and name H )) 5.000 3.100 1.000 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.35217E-03 ppm1 4.521 ppm2 8.525 CV 1 ASSI { 3581} (( segid " " and resid 1670 and name HB3 )) (( segid " " and resid 1673 and name H )) 4.600 2.700 1.400 peak 3581 spectrum 1 weight 0.10000E+01 volume 0.36233E-03 ppm1 4.093 ppm2 7.754 CV 1 ASSI { 3582} (( segid " " and resid 1670 and name HB2 )) (( segid " " and resid 1669 and name HB2 )) 5.300 3.500 0.700 peak 3582 spectrum 1 weight 0.10000E+01 volume 0.25058E-03 ppm1 4.221 ppm2 2.686 CV 1 ASSI { 3583} (( segid " " and resid 1670 and name HB3 )) (( segid " " and resid 1669 and name HB2 )) 5.300 3.400 0.700 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.38603E-03 ppm1 4.094 ppm2 2.693 CV 1 ASSI { 3584} (( segid " " and resid 1672 and name HB3 )) ( segid " " and resid 1675 and name HD1%) 4.400 2.400 1.600 peak 3584 spectrum 1 weight 0.10000E+01 volume 0.70774E-03 ppm1 1.648 ppm2 0.813 CV 1 ASSI { 3585} ( segid " " and resid 1672 and name HD1%) (( segid " " and resid 1770 and name HG2 )) 2.400 0.700 0.700 peak 3585 spectrum 1 weight 0.10000E+01 volume 0.47408E-02 ppm1 0.995 ppm2 2.563 CV 1 ASSI { 3586} ( segid " " and resid 1672 and name HD2%) (( segid " " and resid 1770 and name HG2 )) 3.200 1.300 1.300 peak 3586 spectrum 1 weight 0.10000E+01 volume 0.16389E-02 ppm1 0.899 ppm2 2.561 CV 1 ASSI { 3587} (( segid " " and resid 1776 and name HG )) (( segid " " and resid 1776 and name HB3 )) 3.500 1.500 1.500 peak 3587 spectrum 1 weight 0.10000E+01 volume 0.95494E-03 ppm1 1.966 ppm2 1.183 CV 1 ASSI { 3588} (( segid " " and resid 1758 and name HB3 )) (( segid " " and resid 1758 and name HE22)) 3.900 1.900 1.900 peak 3588 spectrum 1 weight 0.10000E+01 volume 0.65693E-03 ppm1 2.307 ppm2 7.485 CV 1 ASSI { 3589} (( segid " " and resid 1758 and name HB2 )) (( segid " " and resid 1758 and name HE22)) 4.700 2.700 1.300 peak 3589 spectrum 1 weight 0.10000E+01 volume 0.55535E-03 ppm1 2.404 ppm2 7.492 CV 1 ASSI { 3590} (( segid " " and resid 1758 and name HB3 )) (( segid " " and resid 1758 and name HE21)) 4.100 2.100 1.900 peak 3590 spectrum 1 weight 0.10000E+01 volume 0.43683E-03 ppm1 2.311 ppm2 6.844 CV 1 ASSI { 3591} (( segid " " and resid 1758 and name HB2 )) (( segid " " and resid 1758 and name HE21)) 4.300 2.300 1.700 peak 3591 spectrum 1 weight 0.10000E+01 volume 0.43006E-03 ppm1 2.399 ppm2 6.847 CV 1 ASSI { 3592} (( segid " " and resid 1758 and name HB3 )) (( segid " " and resid 1752 and name HB )) 2.900 1.000 1.000 peak 3592 spectrum 1 weight 0.10000E+01 volume 0.10057E-02 ppm1 2.304 ppm2 4.331 CV 1 ASSI { 3594} (( segid " " and resid 1758 and name HB2 )) (( segid " " and resid 1758 and name HG2 )) 2.900 1.100 1.100 peak 3594 spectrum 1 weight 0.10000E+01 volume 0.28309E-02 ppm1 2.405 ppm2 2.508 CV 1 ASSI { 3598} (( segid " " and resid 1758 and name HB3 )) ( segid " " and resid 1749 and name HB% ) 5.200 3.300 0.800 peak 3598 spectrum 1 weight 0.10000E+01 volume 0.71447E-03 ppm1 2.304 ppm2 1.579 CV 1 ASSI { 3599} (( segid " " and resid 1758 and name HB2 )) ( segid " " and resid 1749 and name HB% ) 4.300 2.300 1.700 peak 3599 spectrum 1 weight 0.10000E+01 volume 0.91092E-03 ppm1 2.403 ppm2 1.584 CV 1 ASSI { 3600} (( segid " " and resid 1758 and name HB2 )) ( segid " " and resid 1762 and name HD2%) 5.200 3.400 0.800 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.25397E-03 ppm1 2.395 ppm2 0.776 CV 1 ASSI { 3601} (( segid " " and resid 1758 and name HB3 )) ( segid " " and resid 1762 and name HD2%) 5.200 3.400 0.800 peak 3601 spectrum 1 weight 0.10000E+01 volume 0.41651E-03 ppm1 2.304 ppm2 0.767 CV 1 ASSI { 3603} (( segid " " and resid 1758 and name HB3 )) ( segid " " and resid 1761 and name HD2%) 4.600 2.700 1.400 peak 3603 spectrum 1 weight 0.10000E+01 volume 0.45715E-03 ppm1 2.309 ppm2 0.850 CV 1 ASSI { 3605} (( segid " " and resid 1791 and name HA )) (( segid " " and resid 1795 and name H )) 3.700 1.700 1.700 peak 3605 spectrum 1 weight 0.10000E+01 volume 0.73142E-03 ppm1 4.622 ppm2 8.035 CV 1 ASSI { 3606} (( segid " " and resid 1791 and name HA )) (( segid " " and resid 1794 and name H )) 3.200 1.300 1.300 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.13003E-02 ppm1 4.620 ppm2 8.450 CV 1 ASSI { 3607} (( segid " " and resid 1791 and name HA )) (( segid " " and resid 1794 and name HB2 )) 2.700 0.900 0.900 peak 3607 spectrum 1 weight 0.10000E+01 volume 0.36775E-02 ppm1 4.618 ppm2 2.079 CV 1 ASSI { 3608} (( segid " " and resid 1791 and name HA )) (( segid " " and resid 1794 and name HG2 )) 3.800 1.800 1.800 peak 3608 spectrum 1 weight 0.10000E+01 volume 0.65016E-03 ppm1 4.617 ppm2 2.414 CV 1 ASSI { 3609} (( segid " " and resid 1791 and name HA )) (( segid " " and resid 1794 and name HG3 )) 3.900 1.900 1.900 peak 3609 spectrum 1 weight 0.10000E+01 volume 0.52487E-03 ppm1 4.619 ppm2 2.334 CV 1 ASSI { 3610} (( segid " " and resid 1791 and name HA )) ( segid " " and resid 1790 and name HB% ) 3.700 1.700 1.700 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.11547E-02 ppm1 4.619 ppm2 1.486 CV 1 ASSI { 3611} (( segid " " and resid 1765 and name HB )) (( segid " " and resid 1765 and name HA )) 3.100 1.200 1.200 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.15340E-02 ppm1 4.244 ppm2 3.923 CV 1 ASSI { 3614} (( segid " " and resid 1785 and name HA )) (( segid " " and resid 1786 and name HD2 )) 2.300 0.600 0.600 peak 3614 spectrum 1 weight 0.10000E+01 volume 0.72468E-02 ppm1 5.021 ppm2 4.060 CV 1 ASSI { 3617} (( segid " " and resid 1785 and name HA )) (( segid " " and resid 1785 and name HB2 )) 2.600 0.800 0.800 peak 3617 spectrum 1 weight 0.10000E+01 volume 0.33761E-02 ppm1 5.021 ppm2 2.843 CV 1 ASSI { 3618} (( segid " " and resid 1785 and name HA )) (( segid " " and resid 1786 and name HG2 )) 4.300 2.300 1.700 peak 3618 spectrum 1 weight 0.10000E+01 volume 0.13613E-02 ppm1 5.022 ppm2 2.141 CV 1 ASSI { 3620} (( segid " " and resid 1785 and name HA )) (( segid " " and resid 1787 and name H )) 3.900 1.900 1.900 peak 3620 spectrum 1 weight 0.10000E+01 volume 0.41651E-03 ppm1 5.025 ppm2 8.082 CV 1 ASSI { 3622} (( segid " " and resid 1785 and name HB2 )) (( segid " " and resid 1786 and name HD2 )) 4.500 2.500 1.500 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.76871E-03 ppm1 2.832 ppm2 4.058 CV 1 ASSI { 3624} (( segid " " and resid 1785 and name HB2 )) (( segid " " and resid 1788 and name HB2 )) 4.600 2.600 1.400 peak 3624 spectrum 1 weight 0.10000E+01 volume 0.32847E-03 ppm1 2.835 ppm2 2.292 CV 1 ASSI { 3630} (( segid " " and resid 1763 and name HA )) (( segid " " and resid 1766 and name HD3 )) 3.300 1.300 1.300 peak 3630 spectrum 1 weight 0.10000E+01 volume 0.13444E-02 ppm1 4.424 ppm2 1.705 CV 1 ASSI { 3632} (( segid " " and resid 1763 and name HB3 )) ( segid " " and resid 1760 and name HB% ) 4.400 2.400 1.600 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.50455E-03 ppm1 2.649 ppm2 1.456 CV 1 ASSI { 3635} (( segid " " and resid 1763 and name HB2 )) (( segid " " and resid 1763 and name H )) 2.600 0.900 0.900 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.37385E-02 ppm1 2.852 ppm2 9.193 CV 1 ASSI { 3636} (( segid " " and resid 1763 and name HB2 )) (( segid " " and resid 1764 and name H )) 3.600 1.600 1.600 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.22790E-02 ppm1 2.851 ppm2 8.843 CV 1 ASSI { 3637} (( segid " " and resid 1703 and name HG )) (( segid " " and resid 1703 and name H )) 4.100 2.100 1.900 peak 3637 spectrum 1 weight 0.10000E+01 volume 0.15441E-02 ppm1 1.549 ppm2 8.479 CV 1 ASSI { 3638} (( segid " " and resid 1773 and name HG )) (( segid " " and resid 1773 and name H )) 3.800 1.800 1.800 peak 3638 spectrum 1 weight 0.10000E+01 volume 0.14324E-02 ppm1 1.548 ppm2 8.131 CV 1 ASSI { 3641} (( segid " " and resid 1773 and name HB3 )) ( segid " " and resid 1777 and name HE% ) 4.700 2.700 1.300 peak 3641 spectrum 1 weight 0.10000E+01 volume 0.60615E-03 ppm1 1.751 ppm2 6.803 CV 1 OR { 3641} (( segid " " and resid 1773 and name HB2 )) ( segid " " and resid 1777 and name HE% ) ASSI { 3642} (( segid " " and resid 1773 and name HB3 )) ( segid " " and resid 1777 and name HD% ) 3.800 1.800 1.800 peak 3642 spectrum 1 weight 0.10000E+01 volume 0.65693E-03 ppm1 1.751 ppm2 7.167 CV 1 ASSI { 3643} (( segid " " and resid 1773 and name HB3 )) (( segid " " and resid 1774 and name H )) 2.700 0.900 0.900 peak 3643 spectrum 1 weight 0.10000E+01 volume 0.31255E-02 ppm1 1.753 ppm2 7.613 CV 1 OR { 3643} (( segid " " and resid 1773 and name HB2 )) (( segid " " and resid 1774 and name H )) ASSI { 3644} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1773 and name H )) 2.600 0.800 0.800 peak 3644 spectrum 1 weight 0.10000E+01 volume 0.34371E-02 ppm1 3.728 ppm2 8.132 CV 1 ASSI { 3645} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1774 and name H )) 3.400 1.400 1.400 peak 3645 spectrum 1 weight 0.10000E+01 volume 0.87363E-03 ppm1 3.727 ppm2 7.612 CV 1 ASSI { 3646} (( segid " " and resid 1773 and name HA )) ( segid " " and resid 1777 and name HD% ) 4.500 2.500 1.500 peak 3646 spectrum 1 weight 0.10000E+01 volume 0.27090E-03 ppm1 3.727 ppm2 7.161 CV 1 ASSI { 3647} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1776 and name H )) 3.000 1.100 1.100 peak 3647 spectrum 1 weight 0.10000E+01 volume 0.13342E-02 ppm1 3.735 ppm2 8.694 CV 1 ASSI { 3648} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1777 and name H )) 3.500 1.500 1.500 peak 3648 spectrum 1 weight 0.10000E+01 volume 0.67725E-03 ppm1 3.727 ppm2 8.884 CV 1 ASSI { 3649} (( segid " " and resid 1773 and name HA )) ( segid " " and resid 1777 and name HE% ) 5.600 3.900 0.400 peak 3649 spectrum 1 weight 0.10000E+01 volume 0.21334E-03 ppm1 3.731 ppm2 6.798 CV 1 ASSI { 3651} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1773 and name HB2 )) 2.400 0.700 0.700 peak 3651 spectrum 1 weight 0.10000E+01 volume 0.55941E-02 ppm1 3.729 ppm2 1.754 CV 1 OR { 3651} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1773 and name HB3 )) ASSI { 3652} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1776 and name HB2 )) 2.600 0.800 0.800 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.30375E-02 ppm1 3.729 ppm2 1.963 CV 1 OR { 3652} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1776 and name HG )) ASSI { 3653} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1773 and name HG )) 2.800 1.000 1.000 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 3.732 ppm2 1.552 CV 1 ASSI { 3654} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1776 and name HB3 )) 4.000 2.000 2.000 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 3.729 ppm2 1.181 CV 1 ASSI { 3656} (( segid " " and resid 1773 and name HA )) ( segid " " and resid 1773 and name HD1%) 2.400 0.700 0.700 peak 3656 spectrum 1 weight 0.10000E+01 volume 0.36944E-02 ppm1 3.728 ppm2 0.925 CV 1 ASSI { 3657} (( segid " " and resid 1773 and name HA )) ( segid " " and resid 1773 and name HD2%) 3.300 1.400 1.400 peak 3657 spectrum 1 weight 0.10000E+01 volume 0.45613E-02 ppm1 3.728 ppm2 0.829 CV 1 ASSI { 3662} (( segid " " and resid 1773 and name HB2 )) ( segid " " and resid 1668 and name HD1%) 4.000 2.000 2.000 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.72128E-03 ppm1 1.765 ppm2 0.228 CV 1 ASSI { 3664} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1773 and name H )) 3.800 1.800 1.800 peak 3664 spectrum 1 weight 0.10000E+01 volume 0.15509E-02 ppm1 0.926 ppm2 8.128 CV 1 ASSI { 3665} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1668 and name H )) 4.500 2.500 1.500 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.48762E-03 ppm1 0.924 ppm2 8.519 CV 1 ASSI { 3666} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1665 and name H )) 5.300 3.500 0.700 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.24381E-03 ppm1 0.926 ppm2 8.416 CV 1 ASSI { 3667} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1669 and name H )) 3.300 1.400 1.400 peak 3667 spectrum 1 weight 0.10000E+01 volume 0.10633E-02 ppm1 0.928 ppm2 8.650 CV 1 ASSI { 3669} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1669 and name HD22)) 3.800 1.800 1.800 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.93800E-03 ppm1 0.922 ppm2 7.239 CV 1 ASSI { 3670} ( segid " " and resid 1773 and name HD1%) ( segid " " and resid 1777 and name HD% ) 4.200 2.200 1.800 peak 3670 spectrum 1 weight 0.10000E+01 volume 0.11649E-02 ppm1 0.924 ppm2 7.164 CV 1 ASSI { 3673} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1669 and name HD21)) 3.200 1.300 1.300 peak 3673 spectrum 1 weight 0.10000E+01 volume 0.10972E-02 ppm1 0.926 ppm2 6.594 CV 1 ASSI { 3674} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1669 and name HA )) 3.500 1.500 1.500 peak 3674 spectrum 1 weight 0.10000E+01 volume 0.62308E-03 ppm1 0.927 ppm2 4.510 CV 1 ASSI { 3679} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1770 and name HA )) 3.600 1.600 1.600 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 0.923 ppm2 3.956 CV 1 ASSI { 3680} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1665 and name HA )) 2.700 0.900 0.900 peak 3680 spectrum 1 weight 0.10000E+01 volume 0.34371E-02 ppm1 0.926 ppm2 3.395 CV 1 ASSI { 3681} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1770 and name HG2 )) 3.600 3.600 2.400 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.33524E-03 ppm1 0.920 ppm2 2.549 CV 1 ASSI { 3682} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1776 and name HB2 )) 3.600 1.600 1.600 peak 3682 spectrum 1 weight 0.10000E+01 volume 0.10565E-02 ppm1 0.926 ppm2 1.959 CV 1 ASSI { 3683} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1668 and name HB2 )) 3.400 1.400 1.400 peak 3683 spectrum 1 weight 0.10000E+01 volume 0.43378E-02 ppm1 0.926 ppm2 1.281 CV 1 ASSI { 3686} ( segid " " and resid 1773 and name HD1%) ( segid " " and resid 1668 and name HD1%) 4.500 2.600 1.500 peak 3686 spectrum 1 weight 0.10000E+01 volume 0.76871E-03 ppm1 0.929 ppm2 0.223 CV 1 ASSI { 3687} ( segid " " and resid 1773 and name HD1%) ( segid " " and resid 1665 and name HD1%) 3.400 1.500 1.500 peak 3687 spectrum 1 weight 0.10000E+01 volume 0.20250E-02 ppm1 0.934 ppm2 0.457 CV 1 ASSI { 3690} (( segid " " and resid 1703 and name HG )) ( segid " " and resid 1703 and name HD1%) 2.200 0.600 0.600 peak 3690 spectrum 1 weight 0.10000E+01 volume 0.93460E-02 ppm1 1.553 ppm2 0.898 CV 1 OR { 3690} (( segid " " and resid 1703 and name HG )) ( segid " " and resid 1703 and name HD2%) ASSI { 3691} (( segid " " and resid 1773 and name HG )) ( segid " " and resid 1773 and name HD2%) 2.600 0.800 0.800 peak 3691 spectrum 1 weight 0.10000E+01 volume 0.31899E-02 ppm1 1.551 ppm2 0.832 CV 1 ASSI { 3692} (( segid " " and resid 1773 and name HG )) (( segid " " and resid 1770 and name HA )) 4.000 2.000 2.000 peak 3692 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 1.550 ppm2 3.972 CV 1 ASSI { 3693} (( segid " " and resid 1703 and name HG )) (( segid " " and resid 1703 and name HA )) 3.600 1.600 1.600 peak 3693 spectrum 1 weight 0.10000E+01 volume 0.13985E-02 ppm1 1.554 ppm2 3.845 CV 1 ASSI { 3694} ( segid " " and resid 1743 and name HD1%) (( segid " " and resid 1744 and name H )) 3.900 1.900 1.900 peak 3694 spectrum 1 weight 0.10000E+01 volume 0.19979E-03 ppm1 0.911 ppm2 8.092 CV 1 ASSI { 3695} ( segid " " and resid 1743 and name HD1%) (( segid " " and resid 1743 and name H )) 3.300 1.400 1.400 peak 3695 spectrum 1 weight 0.10000E+01 volume 0.17473E-02 ppm1 0.914 ppm2 8.204 CV 1 ASSI { 3696} ( segid " " and resid 1743 and name HD1%) (( segid " " and resid 1743 and name HA )) 3.200 1.300 1.300 peak 3696 spectrum 1 weight 0.10000E+01 volume 0.34133E-02 ppm1 0.915 ppm2 4.081 CV 1 ASSI { 3697} ( segid " " and resid 1680 and name HD2%) (( segid " " and resid 1677 and name HB2 )) 3.600 1.600 1.600 peak 3697 spectrum 1 weight 0.10000E+01 volume 0.33524E-03 ppm1 0.914 ppm2 2.269 CV 1 ASSI { 3698} ( segid " " and resid 1743 and name HD1%) (( segid " " and resid 1739 and name HG3 )) 2.700 0.900 0.900 peak 3698 spectrum 1 weight 0.10000E+01 volume 0.39619E-02 ppm1 0.910 ppm2 2.193 CV 1 ASSI { 3702} ( segid " " and resid 1761 and name HD2%) (( segid " " and resid 1761 and name HB2 )) 2.800 0.900 0.900 peak 3702 spectrum 1 weight 0.10000E+01 volume 0.60953E-02 ppm1 0.847 ppm2 1.880 CV 1 ASSI { 3703} ( segid " " and resid 1761 and name HD2%) (( segid " " and resid 1758 and name HB2 )) 4.000 2.000 2.000 peak 3703 spectrum 1 weight 0.10000E+01 volume 0.60953E-03 ppm1 0.851 ppm2 2.424 CV 1 ASSI { 3704} ( segid " " and resid 1761 and name HD2%) (( segid " " and resid 1761 and name HA )) 3.300 1.400 1.400 peak 3704 spectrum 1 weight 0.10000E+01 volume 0.39789E-02 ppm1 0.848 ppm2 3.895 CV 1 ASSI { 3705} ( segid " " and resid 1761 and name HD2%) (( segid " " and resid 1758 and name HA )) 2.900 1.100 1.100 peak 3705 spectrum 1 weight 0.10000E+01 volume 0.17304E-02 ppm1 0.844 ppm2 3.808 CV 1 ASSI { 3707} ( segid " " and resid 1761 and name HD2%) (( segid " " and resid 1761 and name H )) 3.100 1.200 1.200 peak 3707 spectrum 1 weight 0.10000E+01 volume 0.17338E-02 ppm1 0.851 ppm2 7.764 CV 1 ASSI { 3708} (( segid " " and resid 1761 and name HA )) (( segid " " and resid 1764 and name H )) 3.600 1.600 1.600 peak 3708 spectrum 1 weight 0.10000E+01 volume 0.81947E-03 ppm1 3.893 ppm2 8.843 CV 1 ASSI { 3709} ( segid " " and resid 1761 and name HD2%) (( segid " " and resid 1760 and name H )) 4.200 2.200 1.800 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.49778E-03 ppm1 0.823 ppm2 7.984 CV 1 ASSI { 3710} ( segid " " and resid 1761 and name HD2%) (( segid " " and resid 1761 and name H )) 3.400 1.400 1.400 peak 3710 spectrum 1 weight 0.10000E+01 volume 0.12834E-02 ppm1 0.824 ppm2 7.774 CV 1 OR { 3710} ( segid " " and resid 1761 and name HD1%) (( segid " " and resid 1761 and name H )) ASSI { 3711} ( segid " " and resid 1761 and name HD1%) (( segid " " and resid 1748 and name HA )) 2.600 2.600 3.400 peak 3711 spectrum 1 weight 0.10000E+01 volume 0.23569E-02 ppm1 0.817 ppm2 4.066 CV 1 ASSI { 3712} ( segid " " and resid 1761 and name HD1%) ( segid " " and resid 1702 and name HE% ) 2.300 0.600 0.600 peak 3712 spectrum 1 weight 0.10000E+01 volume 0.61393E-02 ppm1 0.818 ppm2 2.005 CV 1 ASSI { 3713} ( segid " " and resid 1761 and name HD1%) (( segid " " and resid 1761 and name HB2 )) 2.300 0.700 0.700 peak 3713 spectrum 1 weight 0.10000E+01 volume 0.49609E-02 ppm1 0.817 ppm2 1.882 CV 1 ASSI { 3714} ( segid " " and resid 1761 and name HD1%) (( segid " " and resid 1761 and name HG )) 2.300 0.700 0.700 peak 3714 spectrum 1 weight 0.10000E+01 volume 0.58820E-02 ppm1 0.811 ppm2 1.660 CV 1 ASSI { 3715} ( segid " " and resid 1761 and name HD1%) ( segid " " and resid 1748 and name HB% ) 2.200 0.600 0.600 peak 3715 spectrum 1 weight 0.10000E+01 volume 0.90010E-02 ppm1 0.818 ppm2 1.446 CV 1 ASSI { 3717} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1762 and name H )) 3.700 1.700 1.700 peak 3717 spectrum 1 weight 0.10000E+01 volume 0.20690E-02 ppm1 0.754 ppm2 7.432 CV 1 ASSI { 3718} ( segid " " and resid 1762 and name HD2%) (( segid " " and resid 1762 and name H )) 4.000 2.000 2.000 peak 3718 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 0.778 ppm2 7.431 CV 1 ASSI { 3719} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1679 and name H )) 4.000 2.000 2.000 peak 3719 spectrum 1 weight 0.10000E+01 volume 0.62308E-03 ppm1 0.753 ppm2 8.475 CV 1 ASSI { 3723} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1763 and name H )) 4.500 2.500 1.500 peak 3723 spectrum 1 weight 0.10000E+01 volume 0.47747E-03 ppm1 0.749 ppm2 9.197 CV 1 ASSI { 3725} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1762 and name HA )) 2.100 0.600 0.600 peak 3725 spectrum 1 weight 0.10000E+01 volume 0.97454E-02 ppm1 0.754 ppm2 3.973 CV 1 ASSI { 3727} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1746 and name HA )) 2.200 0.600 0.600 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.54620E-02 ppm1 0.754 ppm2 3.493 CV 1 ASSI { 3728} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1762 and name HB2 )) 2.500 0.800 0.800 peak 3728 spectrum 1 weight 0.10000E+01 volume 0.34675E-02 ppm1 0.754 ppm2 2.037 CV 1 ASSI { 3729} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1762 and name HG )) 2.200 0.600 0.600 peak 3729 spectrum 1 weight 0.10000E+01 volume 0.67963E-02 ppm1 0.755 ppm2 1.814 CV 1 ASSI { 3730} ( segid " " and resid 1762 and name HD2%) ( segid " " and resid 1759 and name HE% ) 2.800 0.900 0.900 peak 3730 spectrum 1 weight 0.10000E+01 volume 0.62951E-02 ppm1 0.775 ppm2 2.018 CV 1 ASSI { 3731} ( segid " " and resid 1762 and name HD2%) (( segid " " and resid 1759 and name HG3 )) 3.700 1.700 1.700 peak 3731 spectrum 1 weight 0.10000E+01 volume 0.18387E-02 ppm1 0.777 ppm2 2.121 CV 1 ASSI { 3733} (( segid " " and resid 1762 and name HG )) (( segid " " and resid 1762 and name HB3 )) 3.100 1.200 1.200 peak 3733 spectrum 1 weight 0.10000E+01 volume 0.83301E-03 ppm1 1.811 ppm2 1.399 CV 1 ASSI { 3734} ( segid " " and resid 1762 and name HD1%) (( segid " " and resid 1762 and name HB3 )) 2.900 1.100 1.100 peak 3734 spectrum 1 weight 0.10000E+01 volume 0.43920E-02 ppm1 0.754 ppm2 1.395 CV 1 ASSI { 3735} ( segid " " and resid 1762 and name HD1%) ( segid " " and resid 1678 and name HB% ) 2.000 0.500 0.500 peak 3735 spectrum 1 weight 0.10000E+01 volume 0.15390E-01 ppm1 0.754 ppm2 1.589 CV 1 ASSI { 3736} (( segid " " and resid 1762 and name HB2 )) (( segid " " and resid 1762 and name HG )) 3.400 1.400 1.400 peak 3736 spectrum 1 weight 0.10000E+01 volume 0.11107E-02 ppm1 2.029 ppm2 1.820 CV 1 ASSI { 3737} (( segid " " and resid 1762 and name HB2 )) ( segid " " and resid 1762 and name HD2%) 2.700 0.900 0.900 peak 3737 spectrum 1 weight 0.10000E+01 volume 0.38536E-02 ppm1 2.036 ppm2 0.771 CV 1 ASSI { 3739} (( segid " " and resid 1762 and name HG )) ( segid " " and resid 1762 and name HD2%) 2.400 0.700 0.700 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.42362E-02 ppm1 1.814 ppm2 0.766 CV 1 OR { 3739} (( segid " " and resid 1762 and name HG )) ( segid " " and resid 1762 and name HD1%) ASSI { 3740} (( segid " " and resid 1765 and name HA )) (( segid " " and resid 1765 and name H )) 2.900 1.000 1.000 peak 3740 spectrum 1 weight 0.10000E+01 volume 0.20250E-02 ppm1 3.916 ppm2 7.907 CV 1 ASSI { 3741} (( segid " " and resid 1765 and name HA )) (( segid " " and resid 1768 and name H )) 3.100 1.200 1.200 peak 3741 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 3.914 ppm2 7.751 CV 1 ASSI { 3742} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1765 and name H )) 3.500 1.600 1.600 peak 3742 spectrum 1 weight 0.10000E+01 volume 0.21740E-02 ppm1 1.133 ppm2 7.911 CV 1 ASSI { 3743} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1768 and name H )) 4.000 2.000 2.000 peak 3743 spectrum 1 weight 0.10000E+01 volume 0.51810E-03 ppm1 1.135 ppm2 7.753 CV 1 ASSI { 3744} (( segid " " and resid 1765 and name HA )) (( segid " " and resid 1767 and name H )) 4.100 2.100 1.900 peak 3744 spectrum 1 weight 0.10000E+01 volume 0.32170E-03 ppm1 3.918 ppm2 8.727 CV 1 ASSI { 3746} (( segid " " and resid 1765 and name HA )) (( segid " " and resid 1769 and name H )) 3.900 1.900 1.900 peak 3746 spectrum 1 weight 0.10000E+01 volume 0.49101E-03 ppm1 3.924 ppm2 8.509 CV 1 ASSI { 3747} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1769 and name H )) 3.500 1.500 1.500 peak 3747 spectrum 1 weight 0.10000E+01 volume 0.92446E-03 ppm1 1.133 ppm2 8.504 CV 1 ASSI { 3748} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1766 and name H )) 3.400 1.400 1.400 peak 3748 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 1.128 ppm2 8.635 CV 1 ASSI { 3749} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1745 and name H )) 4.200 2.200 1.800 peak 3749 spectrum 1 weight 0.10000E+01 volume 0.47070E-03 ppm1 1.130 ppm2 8.794 CV 1 ASSI { 3750} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1765 and name HB )) 2.100 0.600 0.600 peak 3750 spectrum 1 weight 0.10000E+01 volume 0.96202E-02 ppm1 1.135 ppm2 4.247 CV 1 ASSI { 3752} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1765 and name HA )) 2.300 0.600 0.600 peak 3752 spectrum 1 weight 0.10000E+01 volume 0.85131E-02 ppm1 1.135 ppm2 3.919 CV 1 ASSI { 3753} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1766 and name HA )) 3.200 1.300 1.300 peak 3753 spectrum 1 weight 0.10000E+01 volume 0.16932E-02 ppm1 1.137 ppm2 3.845 CV 1 ASSI { 3754} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1742 and name HA )) 2.700 0.900 0.900 peak 3754 spectrum 1 weight 0.10000E+01 volume 0.24856E-02 ppm1 1.134 ppm2 3.704 CV 1 ASSI { 3755} (( segid " " and resid 1765 and name HA )) (( segid " " and resid 1768 and name HB3 )) 2.800 1.000 1.000 peak 3755 spectrum 1 weight 0.10000E+01 volume 0.18116E-02 ppm1 3.915 ppm2 2.367 CV 1 ASSI { 3756} (( segid " " and resid 1765 and name HA )) (( segid " " and resid 1764 and name HB3 )) 4.100 2.100 1.900 peak 3756 spectrum 1 weight 0.10000E+01 volume 0.41990E-03 ppm1 3.912 ppm2 2.254 CV 1 ASSI { 3757} (( segid " " and resid 1765 and name HA )) (( segid " " and resid 1764 and name HB2 )) 4.700 2.700 1.300 peak 3757 spectrum 1 weight 0.10000E+01 volume 0.32509E-03 ppm1 3.913 ppm2 2.121 CV 1 ASSI { 3758} (( segid " " and resid 1765 and name HA )) ( segid " " and resid 1702 and name HE% ) 5.000 3.100 1.000 peak 3758 spectrum 1 weight 0.10000E+01 volume 0.39958E-03 ppm1 3.919 ppm2 2.005 CV 1 ASSI { 3759} (( segid " " and resid 1765 and name HB )) ( segid " " and resid 1702 and name HE% ) 5.100 3.200 0.900 peak 3759 spectrum 1 weight 0.10000E+01 volume 0.31154E-03 ppm1 4.249 ppm2 2.014 CV 1 ASSI { 3760} ( segid " " and resid 1765 and name HG2%) ( segid " " and resid 1702 and name HE% ) 3.300 1.300 1.300 peak 3760 spectrum 1 weight 0.10000E+01 volume 0.28241E-02 ppm1 1.136 ppm2 2.005 CV 1 ASSI { 3761} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1764 and name HB2 )) 4.900 3.000 1.100 peak 3761 spectrum 1 weight 0.10000E+01 volume 0.36572E-03 ppm1 1.132 ppm2 2.116 CV 1 ASSI { 3762} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1768 and name HB3 )) 3.200 1.300 1.300 peak 3762 spectrum 1 weight 0.10000E+01 volume 0.11174E-02 ppm1 1.136 ppm2 2.369 CV 1 ASSI { 3763} ( segid " " and resid 1765 and name HG2%) ( segid " " and resid 1745 and name HB% ) 2.000 0.500 0.500 peak 3763 spectrum 1 weight 0.10000E+01 volume 0.15774E-01 ppm1 1.135 ppm2 1.555 CV 1 ASSI { 3765} (( segid " " and resid 1765 and name HA )) (( segid " " and resid 1810 and name HG )) 4.500 2.500 1.500 peak 3765 spectrum 1 weight 0.10000E+01 volume 0.73142E-03 ppm1 3.915 ppm2 1.574 CV 1 ASSI { 3766} (( segid " " and resid 1765 and name HA )) (( segid " " and resid 1768 and name HB2 )) 3.300 1.300 1.300 peak 3766 spectrum 1 weight 0.10000E+01 volume 0.16356E-02 ppm1 3.914 ppm2 1.496 CV 1 ASSI { 3767} (( segid " " and resid 1765 and name HA )) ( segid " " and resid 1769 and name HB% ) 4.000 2.000 2.000 peak 3767 spectrum 1 weight 0.10000E+01 volume 0.55535E-03 ppm1 3.920 ppm2 1.323 CV 1 ASSI { 3769} (( segid " " and resid 1765 and name HA )) ( segid " " and resid 1768 and name HD1%) 4.400 2.400 1.600 peak 3769 spectrum 1 weight 0.10000E+01 volume 0.59937E-03 ppm1 3.917 ppm2 1.059 CV 1 ASSI { 3772} (( segid " " and resid 1765 and name HA )) ( segid " " and resid 1675 and name HD1%) 4.100 2.100 1.900 peak 3772 spectrum 1 weight 0.10000E+01 volume 0.67725E-03 ppm1 3.917 ppm2 0.813 CV 1 ASSI { 3774} (( segid " " and resid 1765 and name HB )) ( segid " " and resid 1675 and name HD2%) 3.000 1.100 1.100 peak 3774 spectrum 1 weight 0.10000E+01 volume 0.14121E-02 ppm1 4.244 ppm2 0.957 CV 1 ASSI { 3775} (( segid " " and resid 1765 and name HB )) ( segid " " and resid 1675 and name HD1%) 3.400 1.400 1.400 peak 3775 spectrum 1 weight 0.10000E+01 volume 0.11919E-02 ppm1 4.242 ppm2 0.789 CV 1 ASSI { 3776} ( segid " " and resid 1765 and name HG2%) ( segid " " and resid 1810 and name HD1%) 2.700 0.900 0.900 peak 3776 spectrum 1 weight 0.10000E+01 volume 0.80388E-02 ppm1 1.137 ppm2 0.963 CV 1 ASSI { 3777} ( segid " " and resid 1765 and name HG2%) ( segid " " and resid 1810 and name HD2%) 3.000 1.100 1.100 peak 3777 spectrum 1 weight 0.10000E+01 volume 0.31594E-02 ppm1 1.141 ppm2 0.899 CV 1 ASSI { 3779} ( segid " " and resid 1765 and name HG2%) ( segid " " and resid 1741 and name HD1%) 2.400 0.700 0.700 peak 3779 spectrum 1 weight 0.10000E+01 volume 0.58278E-02 ppm1 1.137 ppm2 0.696 CV 1 ASSI { 3782} (( segid " " and resid 1766 and name HB2 )) ( segid " " and resid 1675 and name HD1%) 2.900 1.100 1.100 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.15103E-02 ppm1 1.922 ppm2 0.796 CV 1 ASSI { 3783} (( segid " " and resid 1766 and name HB2 )) ( segid " " and resid 1672 and name HD1%) 4.200 2.200 1.800 peak 3783 spectrum 1 weight 0.10000E+01 volume 0.10226E-02 ppm1 1.928 ppm2 0.984 CV 1 ASSI { 3784} (( segid " " and resid 1766 and name HA )) ( segid " " and resid 1769 and name HB% ) 2.300 0.700 0.700 peak 3784 spectrum 1 weight 0.10000E+01 volume 0.49880E-02 ppm1 3.845 ppm2 1.336 CV 1 ASSI { 3787} (( segid " " and resid 1766 and name HB3 )) ( segid " " and resid 1675 and name HD1%) 4.600 2.600 1.400 peak 3787 spectrum 1 weight 0.10000E+01 volume 0.71788E-03 ppm1 2.195 ppm2 0.796 CV 1 ASSI { 3788} (( segid " " and resid 1766 and name HB3 )) ( segid " " and resid 1672 and name HD1%) 4.300 2.300 1.700 peak 3788 spectrum 1 weight 0.10000E+01 volume 0.91092E-03 ppm1 2.186 ppm2 0.984 CV 1 ASSI { 3789} (( segid " " and resid 1766 and name HD3 )) (( segid " " and resid 1766 and name HG3 )) 2.300 0.600 0.600 peak 3789 spectrum 1 weight 0.10000E+01 volume 0.67014E-02 ppm1 1.705 ppm2 1.498 CV 1 OR { 3789} (( segid " " and resid 1766 and name HD2 )) (( segid " " and resid 1766 and name HG3 )) ASSI { 3791} (( segid " " and resid 1766 and name HD2 )) ( segid " " and resid 1672 and name HD1%) 3.700 1.800 1.800 peak 3791 spectrum 1 weight 0.10000E+01 volume 0.14900E-02 ppm1 1.702 ppm2 0.988 CV 1 OR { 3791} (( segid " " and resid 1766 and name HD3 )) ( segid " " and resid 1672 and name HD1%) ASSI { 3792} (( segid " " and resid 1766 and name HD2 )) ( segid " " and resid 1672 and name HD2%) 5.800 4.200 0.200 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.13545E-03 ppm1 1.697 ppm2 0.910 CV 1 ASSI { 3793} (( segid " " and resid 1766 and name HE3 )) ( segid " " and resid 1672 and name HD1%) 3.100 1.200 1.200 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.16999E-02 ppm1 2.955 ppm2 0.990 CV 1 OR { 3793} (( segid " " and resid 1766 and name HE2 )) ( segid " " and resid 1672 and name HD1%) ASSI { 3795} (( segid " " and resid 1766 and name HE2 )) ( segid " " and resid 1675 and name HD1%) 4.300 2.300 1.700 peak 3795 spectrum 1 weight 0.10000E+01 volume 0.47408E-03 ppm1 2.938 ppm2 0.806 CV 1 ASSI { 3797} (( segid " " and resid 1766 and name HG3 )) ( segid " " and resid 1675 and name HD1%) 3.500 1.500 1.500 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.52826E-03 ppm1 1.492 ppm2 0.793 CV 1 ASSI { 3798} (( segid " " and resid 1766 and name HG2 )) ( segid " " and resid 1675 and name HD1%) 5.100 3.200 0.900 peak 3798 spectrum 1 weight 0.10000E+01 volume 0.33863E-03 ppm1 1.371 ppm2 0.795 CV 1 ASSI { 3800} (( segid " " and resid 1766 and name HG2 )) ( segid " " and resid 1672 and name HD1%) 3.300 1.400 1.400 peak 3800 spectrum 1 weight 0.10000E+01 volume 0.79919E-03 ppm1 1.367 ppm2 0.989 CV 1 ASSI { 3801} (( segid " " and resid 1766 and name HG3 )) (( segid " " and resid 1766 and name HG2 )) 1.800 0.400 0.400 peak 3801 spectrum 1 weight 0.10000E+01 volume 0.96542E-02 ppm1 1.495 ppm2 1.373 CV 1 ASSI { 3803} (( segid " " and resid 1766 and name HE3 )) (( segid " " and resid 1766 and name HG2 )) 2.900 1.000 1.000 peak 3803 spectrum 1 weight 0.10000E+01 volume 0.22722E-02 ppm1 2.958 ppm2 1.373 CV 1 OR { 3803} (( segid " " and resid 1766 and name HE2 )) (( segid " " and resid 1766 and name HG2 )) ASSI { 3805} (( segid " " and resid 1766 and name HE3 )) (( segid " " and resid 1766 and name HG3 )) 3.000 1.100 1.100 peak 3805 spectrum 1 weight 0.10000E+01 volume 0.22180E-02 ppm1 2.955 ppm2 1.497 CV 1 OR { 3805} (( segid " " and resid 1766 and name HE2 )) (( segid " " and resid 1766 and name HG3 )) ASSI { 3807} (( segid " " and resid 1766 and name HG2 )) (( segid " " and resid 1766 and name HD2 )) 2.600 0.800 0.800 peak 3807 spectrum 1 weight 0.10000E+01 volume 0.42904E-02 ppm1 1.371 ppm2 1.704 CV 1 OR { 3807} (( segid " " and resid 1766 and name HG2 )) (( segid " " and resid 1766 and name HD3 )) ASSI { 3808} (( segid " " and resid 1766 and name HG3 )) (( segid " " and resid 1766 and name HB2 )) 2.600 0.800 0.800 peak 3808 spectrum 1 weight 0.10000E+01 volume 0.20690E-02 ppm1 1.495 ppm2 1.925 CV 1 ASSI { 3809} (( segid " " and resid 1766 and name HG2 )) (( segid " " and resid 1766 and name HB2 )) 3.300 1.300 1.300 peak 3809 spectrum 1 weight 0.10000E+01 volume 0.16593E-02 ppm1 1.368 ppm2 1.922 CV 1 ASSI { 3810} (( segid " " and resid 1766 and name HG3 )) (( segid " " and resid 1675 and name HB2 )) 3.000 1.100 1.100 peak 3810 spectrum 1 weight 0.10000E+01 volume 0.64339E-03 ppm1 1.494 ppm2 2.052 CV 1 ASSI { 3811} (( segid " " and resid 1766 and name HG2 )) (( segid " " and resid 1675 and name HB2 )) 5.100 3.200 0.900 peak 3811 spectrum 1 weight 0.10000E+01 volume 0.39619E-03 ppm1 1.361 ppm2 2.052 CV 1 ASSI { 3812} (( segid " " and resid 1766 and name HG3 )) (( segid " " and resid 1766 and name HB3 )) 3.300 1.300 1.300 peak 3812 spectrum 1 weight 0.10000E+01 volume 0.16694E-02 ppm1 1.492 ppm2 2.194 CV 1 ASSI { 3813} (( segid " " and resid 1766 and name HG2 )) (( segid " " and resid 1766 and name HB3 )) 2.600 0.800 0.800 peak 3813 spectrum 1 weight 0.10000E+01 volume 0.22959E-02 ppm1 1.370 ppm2 2.196 CV 1 ASSI { 3815} (( segid " " and resid 1766 and name HB2 )) (( segid " " and resid 1766 and name HB3 )) 1.800 0.400 0.400 peak 3815 spectrum 1 weight 0.10000E+01 volume 0.85642E-02 ppm1 1.922 ppm2 2.192 CV 1 ASSI { 3816} (( segid " " and resid 1766 and name HA )) (( segid " " and resid 1766 and name HB2 )) 2.300 0.700 0.700 peak 3816 spectrum 1 weight 0.10000E+01 volume 0.44665E-02 ppm1 3.845 ppm2 1.926 CV 1 ASSI { 3817} (( segid " " and resid 1766 and name HB2 )) (( segid " " and resid 1766 and name HD3 )) 2.900 1.100 1.100 peak 3817 spectrum 1 weight 0.10000E+01 volume 0.19031E-02 ppm1 1.929 ppm2 1.718 CV 1 OR { 3817} (( segid " " and resid 1766 and name HB2 )) (( segid " " and resid 1766 and name HD2 )) ASSI { 3819} (( segid " " and resid 1766 and name HD2 )) (( segid " " and resid 1766 and name HB3 )) 2.700 0.900 0.900 peak 3819 spectrum 1 weight 0.10000E+01 volume 0.23840E-02 ppm1 1.709 ppm2 2.194 CV 1 OR { 3819} (( segid " " and resid 1766 and name HD3 )) (( segid " " and resid 1766 and name HB3 )) ASSI { 3820} (( segid " " and resid 1766 and name HE3 )) (( segid " " and resid 1766 and name HB2 )) 4.200 2.200 1.800 peak 3820 spectrum 1 weight 0.10000E+01 volume 0.75850E-03 ppm1 2.945 ppm2 1.925 CV 1 OR { 3820} (( segid " " and resid 1766 and name HE2 )) (( segid " " and resid 1766 and name HB2 )) ASSI { 3821} (( segid " " and resid 1766 and name HA )) (( segid " " and resid 1770 and name HG2 )) 5.000 3.100 1.000 peak 3821 spectrum 1 weight 0.10000E+01 volume 0.41651E-03 ppm1 3.851 ppm2 2.557 CV 1 ASSI { 3822} (( segid " " and resid 1766 and name HG2 )) (( segid " " and resid 1770 and name HG2 )) 3.900 1.900 1.900 peak 3822 spectrum 1 weight 0.10000E+01 volume 0.99217E-03 ppm1 1.368 ppm2 2.556 CV 1 ASSI { 3823} (( segid " " and resid 1766 and name HG3 )) (( segid " " and resid 1770 and name HG2 )) 5.000 3.200 1.000 peak 3823 spectrum 1 weight 0.10000E+01 volume 0.59599E-03 ppm1 1.499 ppm2 2.557 CV 1 ASSI { 3824} (( segid " " and resid 1766 and name HG2 )) (( segid " " and resid 1766 and name HE2 )) 2.900 1.100 1.100 peak 3824 spectrum 1 weight 0.10000E+01 volume 0.14121E-02 ppm1 1.366 ppm2 2.957 CV 1 ASSI { 3826} (( segid " " and resid 1766 and name HD2 )) (( segid " " and resid 1766 and name HE2 )) 2.500 0.800 0.800 peak 3826 spectrum 1 weight 0.10000E+01 volume 0.43243E-02 ppm1 1.707 ppm2 2.947 CV 1 OR { 3826} (( segid " " and resid 1766 and name HD2 )) (( segid " " and resid 1766 and name HE3 )) OR { 3826} (( segid " " and resid 1766 and name HD3 )) (( segid " " and resid 1766 and name HE2 )) OR { 3826} (( segid " " and resid 1766 and name HD3 )) (( segid " " and resid 1766 and name HE3 )) ASSI { 3827} (( segid " " and resid 1766 and name HB3 )) (( segid " " and resid 1766 and name HA )) 2.900 1.000 1.000 peak 3827 spectrum 1 weight 0.10000E+01 volume 0.24856E-02 ppm1 2.191 ppm2 3.851 CV 1 ASSI { 3829} (( segid " " and resid 1766 and name HE3 )) (( segid " " and resid 1766 and name HA )) 5.200 3.400 0.800 peak 3829 spectrum 1 weight 0.10000E+01 volume 0.24720E-03 ppm1 2.939 ppm2 3.851 CV 1 OR { 3829} (( segid " " and resid 1766 and name HE2 )) (( segid " " and resid 1766 and name HA )) ASSI { 3830} (( segid " " and resid 1766 and name HG3 )) (( segid " " and resid 1766 and name HA )) 2.700 0.900 0.900 peak 3830 spectrum 1 weight 0.10000E+01 volume 0.16660E-02 ppm1 1.495 ppm2 3.846 CV 1 ASSI { 3831} (( segid " " and resid 1766 and name HG2 )) (( segid " " and resid 1766 and name HA )) 3.100 1.200 1.200 peak 3831 spectrum 1 weight 0.10000E+01 volume 0.13749E-02 ppm1 1.375 ppm2 3.848 CV 1 ASSI { 3832} (( segid " " and resid 1766 and name HG2 )) (( segid " " and resid 1767 and name HA )) 3.900 1.900 1.900 peak 3832 spectrum 1 weight 0.10000E+01 volume 0.35894E-03 ppm1 1.374 ppm2 4.077 CV 1 ASSI { 3833} (( segid " " and resid 1766 and name HB3 )) (( segid " " and resid 1767 and name HA )) 4.500 2.600 1.500 peak 3833 spectrum 1 weight 0.10000E+01 volume 0.17270E-03 ppm1 2.189 ppm2 4.069 CV 1 ASSI { 3834} (( segid " " and resid 1766 and name HB2 )) (( segid " " and resid 1767 and name HA )) 5.000 3.100 1.000 peak 3834 spectrum 1 weight 0.10000E+01 volume 0.31154E-03 ppm1 1.920 ppm2 4.074 CV 1 ASSI { 3839} (( segid " " and resid 1766 and name HA )) (( segid " " and resid 1767 and name H )) 3.400 1.400 1.400 peak 3839 spectrum 1 weight 0.10000E+01 volume 0.81947E-03 ppm1 3.846 ppm2 8.718 CV 1 ASSI { 3840} (( segid " " and resid 1766 and name HA )) (( segid " " and resid 1766 and name H )) 2.600 0.900 0.900 peak 3840 spectrum 1 weight 0.10000E+01 volume 0.27090E-02 ppm1 3.845 ppm2 8.639 CV 1 ASSI { 3841} (( segid " " and resid 1766 and name HB3 )) (( segid " " and resid 1767 and name H )) 2.800 1.000 1.000 peak 3841 spectrum 1 weight 0.10000E+01 volume 0.18827E-02 ppm1 2.192 ppm2 8.721 CV 1 ASSI { 3842} (( segid " " and resid 1766 and name HB3 )) (( segid " " and resid 1766 and name H )) 2.700 0.900 0.900 peak 3842 spectrum 1 weight 0.10000E+01 volume 0.28174E-02 ppm1 2.193 ppm2 8.639 CV 1 ASSI { 3844} (( segid " " and resid 1766 and name HG3 )) (( segid " " and resid 1766 and name H )) 4.100 2.100 1.900 peak 3844 spectrum 1 weight 0.10000E+01 volume 0.90752E-03 ppm1 1.495 ppm2 8.639 CV 1 ASSI { 3846} (( segid " " and resid 1766 and name HG2 )) (( segid " " and resid 1767 and name H )) 4.000 2.000 2.000 peak 3846 spectrum 1 weight 0.10000E+01 volume 0.52487E-03 ppm1 1.366 ppm2 8.719 CV 1 ASSI { 3847} (( segid " " and resid 1766 and name HD2 )) (( segid " " and resid 1676 and name H )) 3.800 1.800 1.800 peak 3847 spectrum 1 weight 0.10000E+01 volume 0.50117E-03 ppm1 1.705 ppm2 8.711 CV 1 OR { 3847} (( segid " " and resid 1766 and name HD3 )) (( segid " " and resid 1676 and name H )) ASSI { 3848} (( segid " " and resid 1766 and name HD3 )) (( segid " " and resid 1766 and name H )) 4.300 2.300 1.700 peak 3848 spectrum 1 weight 0.10000E+01 volume 0.52826E-03 ppm1 1.705 ppm2 8.636 CV 1 ASSI { 3849} (( segid " " and resid 1766 and name HE2 )) (( segid " " and resid 1676 and name H )) 4.400 2.400 1.600 peak 3849 spectrum 1 weight 0.10000E+01 volume 0.26074E-03 ppm1 2.935 ppm2 8.722 CV 1 OR { 3849} (( segid " " and resid 1766 and name HE3 )) (( segid " " and resid 1676 and name H )) ASSI { 3850} (( segid " " and resid 1767 and name HA )) (( segid " " and resid 1770 and name H )) 3.300 1.300 1.300 peak 3850 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 4.069 ppm2 9.244 CV 1 ASSI { 3851} (( segid " " and resid 1767 and name HA )) (( segid " " and resid 1771 and name H )) 3.900 1.900 1.900 peak 3851 spectrum 1 weight 0.10000E+01 volume 0.71114E-03 ppm1 4.070 ppm2 8.546 CV 1 ASSI { 3852} (( segid " " and resid 1767 and name HA )) (( segid " " and resid 1767 and name H )) 2.800 0.900 0.900 peak 3852 spectrum 1 weight 0.10000E+01 volume 0.30104E-02 ppm1 4.068 ppm2 8.722 CV 1 ASSI { 3854} (( segid " " and resid 1767 and name HA )) (( segid " " and resid 1768 and name H )) 3.600 1.600 1.600 peak 3854 spectrum 1 weight 0.10000E+01 volume 0.81273E-03 ppm1 4.069 ppm2 7.747 CV 1 ASSI { 3855} ( segid " " and resid 1767 and name HG2%) (( segid " " and resid 1768 and name H )) 3.500 1.600 1.600 peak 3855 spectrum 1 weight 0.10000E+01 volume 0.18320E-02 ppm1 1.316 ppm2 7.750 CV 1 ASSI { 3857} ( segid " " and resid 1767 and name HG2%) (( segid " " and resid 1767 and name H )) 3.500 1.500 1.500 peak 3857 spectrum 1 weight 0.10000E+01 volume 0.26989E-02 ppm1 1.311 ppm2 8.723 CV 1 ASSI { 3858} ( segid " " and resid 1767 and name HG2%) (( segid " " and resid 1767 and name HB )) 2.100 0.500 0.500 peak 3858 spectrum 1 weight 0.10000E+01 volume 0.13735E-01 ppm1 1.312 ppm2 4.189 CV 1 ASSI { 3859} (( segid " " and resid 1767 and name HA )) (( segid " " and resid 1767 and name HB )) 2.700 0.900 0.900 peak 3859 spectrum 1 weight 0.10000E+01 volume 0.35556E-02 ppm1 4.069 ppm2 4.188 CV 1 ASSI { 3860} ( segid " " and resid 1767 and name HG2%) (( segid " " and resid 1767 and name HA )) 2.300 0.700 0.700 peak 3860 spectrum 1 weight 0.10000E+01 volume 0.99251E-02 ppm1 1.312 ppm2 4.071 CV 1 ASSI { 3861} (( segid " " and resid 1767 and name HA )) (( segid " " and resid 1770 and name HB3 )) 4.100 2.100 1.900 peak 3861 spectrum 1 weight 0.10000E+01 volume 0.15103E-02 ppm1 4.067 ppm2 2.058 CV 1 ASSI { 3862} (( segid " " and resid 1767 and name HA )) (( segid " " and resid 1770 and name HB2 )) 2.700 0.900 0.900 peak 3862 spectrum 1 weight 0.10000E+01 volume 0.25262E-02 ppm1 4.068 ppm2 2.273 CV 1 ASSI { 3863} (( segid " " and resid 1767 and name HA )) (( segid " " and resid 1770 and name HG2 )) 4.500 2.500 1.500 peak 3863 spectrum 1 weight 0.10000E+01 volume 0.78225E-03 ppm1 4.066 ppm2 2.563 CV 1 ASSI { 3866} (( segid " " and resid 1767 and name HB )) ( segid " " and resid 1806 and name HB% ) 3.700 1.700 1.700 peak 3866 spectrum 1 weight 0.10000E+01 volume 0.52148E-03 ppm1 4.183 ppm2 1.595 CV 1 ASSI { 3867} (( segid " " and resid 1767 and name HA )) ( segid " " and resid 1806 and name HB% ) 5.300 3.500 0.700 peak 3867 spectrum 1 weight 0.10000E+01 volume 0.19979E-03 ppm1 4.070 ppm2 1.596 CV 1 ASSI { 3871} (( segid " " and resid 1768 and name HA )) (( segid " " and resid 1768 and name H )) 2.800 1.000 1.000 peak 3871 spectrum 1 weight 0.10000E+01 volume 0.21774E-02 ppm1 4.122 ppm2 7.750 CV 1 ASSI { 3873} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1806 and name H )) 3.700 1.700 1.700 peak 3873 spectrum 1 weight 0.10000E+01 volume 0.76190E-03 ppm1 1.060 ppm2 7.957 CV 1 ASSI { 3874} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1773 and name H )) 6.000 6.000 0.000 peak 3874 spectrum 1 weight 0.10000E+01 volume 0.13545E-04 ppm1 1.062 ppm2 8.110 CV 1 ASSI { 3875} (( segid " " and resid 1768 and name HB2 )) (( segid " " and resid 1769 and name H )) 4.000 2.000 2.000 peak 3875 spectrum 1 weight 0.10000E+01 volume 0.10226E-02 ppm1 1.493 ppm2 8.498 CV 1 ASSI { 3877} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1807 and name H )) 2.900 1.000 1.000 peak 3877 spectrum 1 weight 0.10000E+01 volume 0.19776E-02 ppm1 1.060 ppm2 8.597 CV 1 ASSI { 3879} ( segid " " and resid 1768 and name HD1%) ( segid " " and resid 1738 and name HE% ) 4.500 2.600 1.500 peak 3879 spectrum 1 weight 0.10000E+01 volume 0.65016E-03 ppm1 1.053 ppm2 7.067 CV 1 ASSI { 3881} ( segid " " and resid 1768 and name HD2%) ( segid " " and resid 1738 and name HD% ) 4.700 2.800 1.300 peak 3881 spectrum 1 weight 0.10000E+01 volume 0.27090E-03 ppm1 0.915 ppm2 7.293 CV 1 ASSI { 3884} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1768 and name HA )) 2.200 0.600 0.600 peak 3884 spectrum 1 weight 0.10000E+01 volume 0.71686E-02 ppm1 1.059 ppm2 4.122 CV 1 ASSI { 3887} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1807 and name HA )) 3.000 1.200 1.200 peak 3887 spectrum 1 weight 0.10000E+01 volume 0.31188E-02 ppm1 1.058 ppm2 3.541 CV 1 ASSI { 3888} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1803 and name HG2 )) 2.500 0.800 0.800 peak 3888 spectrum 1 weight 0.10000E+01 volume 0.19437E-02 ppm1 1.059 ppm2 2.485 CV 1 ASSI { 3889} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1768 and name HB3 )) 3.200 1.300 1.300 peak 3889 spectrum 1 weight 0.10000E+01 volume 0.32677E-02 ppm1 1.058 ppm2 2.373 CV 1 ASSI { 3891} (( segid " " and resid 1768 and name HB2 )) (( segid " " and resid 1768 and name HB3 )) 2.000 0.500 0.500 peak 3891 spectrum 1 weight 0.10000E+01 volume 0.47205E-02 ppm1 1.487 ppm2 2.367 CV 1 ASSI { 3892} (( segid " " and resid 1768 and name HA )) (( segid " " and resid 1768 and name HB3 )) 3.100 1.200 1.200 peak 3892 spectrum 1 weight 0.10000E+01 volume 0.20216E-02 ppm1 4.121 ppm2 2.369 CV 1 ASSI { 3893} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1803 and name HB2 )) 4.200 2.200 1.800 peak 3893 spectrum 1 weight 0.10000E+01 volume 0.11446E-02 ppm1 1.055 ppm2 2.132 CV 1 ASSI { 3895} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1768 and name HG )) 2.200 0.600 0.600 peak 3895 spectrum 1 weight 0.10000E+01 volume 0.46527E-02 ppm1 1.059 ppm2 1.762 CV 1 ASSI { 3896} ( segid " " and resid 1768 and name HD1%) ( segid " " and resid 1806 and name HB% ) 2.200 0.600 0.600 peak 3896 spectrum 1 weight 0.10000E+01 volume 0.85199E-02 ppm1 1.059 ppm2 1.595 CV 1 ASSI { 3897} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1768 and name HB2 )) 2.300 0.700 0.700 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.44834E-02 ppm1 1.060 ppm2 1.496 CV 1 ASSI { 3898} (( segid " " and resid 1768 and name HB3 )) (( segid " " and resid 1768 and name HG )) 2.700 0.900 0.900 peak 3898 spectrum 1 weight 0.10000E+01 volume 0.15001E-02 ppm1 2.360 ppm2 1.762 CV 1 ASSI { 3899} (( segid " " and resid 1775 and name HB3 )) ( segid " " and resid 1799 and name HB% ) 4.000 2.000 2.000 peak 3899 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 2.356 ppm2 1.570 CV 1 ASSI { 3901} (( segid " " and resid 1768 and name HB2 )) (( segid " " and resid 1768 and name HG )) 3.100 1.200 1.200 peak 3901 spectrum 1 weight 0.10000E+01 volume 0.11581E-02 ppm1 1.491 ppm2 1.764 CV 1 ASSI { 3902} (( segid " " and resid 1768 and name HB2 )) ( segid " " and resid 1806 and name HB% ) 2.400 0.700 0.700 peak 3902 spectrum 1 weight 0.10000E+01 volume 0.25296E-02 ppm1 1.491 ppm2 1.599 CV 1 ASSI { 3903} (( segid " " and resid 1768 and name HA )) (( segid " " and resid 1768 and name HG )) 3.100 1.200 1.200 peak 3903 spectrum 1 weight 0.10000E+01 volume 0.11649E-02 ppm1 4.120 ppm2 1.767 CV 1 ASSI { 3906} (( segid " " and resid 1768 and name HA )) ( segid " " and resid 1768 and name HD2%) 4.200 2.200 1.800 peak 3906 spectrum 1 weight 0.10000E+01 volume 0.96508E-03 ppm1 4.124 ppm2 0.907 CV 1 ASSI { 3908} (( segid " " and resid 1768 and name HB2 )) ( segid " " and resid 1810 and name HD1%) 3.600 1.600 1.600 peak 3908 spectrum 1 weight 0.10000E+01 volume 0.88384E-03 ppm1 1.485 ppm2 0.973 CV 1 ASSI { 3911} (( segid " " and resid 1768 and name HA )) ( segid " " and resid 1767 and name HG2%) 3.700 1.700 1.700 peak 3911 spectrum 1 weight 0.10000E+01 volume 0.92106E-03 ppm1 4.129 ppm2 1.312 CV 1 ASSI { 3912} (( segid " " and resid 1768 and name HB2 )) ( segid " " and resid 1769 and name HB% ) 4.800 2.900 1.200 peak 3912 spectrum 1 weight 0.10000E+01 volume 0.57905E-03 ppm1 1.482 ppm2 1.332 CV 1 ASSI { 3914} (( segid " " and resid 1814 and name HG )) ( segid " " and resid 1813 and name HG2%) 3.700 1.700 1.700 peak 3914 spectrum 1 weight 0.10000E+01 volume 0.10261E-02 ppm1 1.754 ppm2 1.064 CV 1 ASSI { 3917} ( segid " " and resid 1768 and name HD1%) ( segid " " and resid 1709 and name HD1%) 3.800 1.800 1.800 peak 3917 spectrum 1 weight 0.10000E+01 volume 0.98876E-03 ppm1 1.064 ppm2 0.250 CV 1 ASSI { 3922} (( segid " " and resid 1780 and name HA )) (( segid " " and resid 1780 and name H )) 2.500 0.800 0.800 peak 3922 spectrum 1 weight 0.10000E+01 volume 0.46460E-02 ppm1 3.971 ppm2 8.415 CV 1 ASSI { 3924} (( segid " " and resid 1770 and name HB2 )) (( segid " " and resid 1770 and name HG2 )) 3.300 1.400 1.400 peak 3924 spectrum 1 weight 0.10000E+01 volume 0.20250E-02 ppm1 2.267 ppm2 2.555 CV 1 ASSI { 3926} (( segid " " and resid 1770 and name HB3 )) (( segid " " and resid 1770 and name HB2 )) 2.000 0.500 0.500 peak 3926 spectrum 1 weight 0.10000E+01 volume 0.75074E-02 ppm1 2.057 ppm2 2.269 CV 1 ASSI { 3928} (( segid " " and resid 1770 and name HB3 )) ( segid " " and resid 1672 and name HD2%) 4.400 2.400 1.600 peak 3928 spectrum 1 weight 0.10000E+01 volume 0.61292E-03 ppm1 2.054 ppm2 0.902 CV 1 ASSI { 3931} (( segid " " and resid 1771 and name HB3 )) (( segid " " and resid 1771 and name HB2 )) 2.100 0.600 0.600 peak 3931 spectrum 1 weight 0.10000E+01 volume 0.50320E-02 ppm1 3.834 ppm2 4.083 CV 1 ASSI { 3932} (( segid " " and resid 1771 and name HA )) (( segid " " and resid 1771 and name HB2 )) 2.800 1.000 1.000 peak 3932 spectrum 1 weight 0.10000E+01 volume 0.31459E-02 ppm1 4.332 ppm2 4.085 CV 1 ASSI { 3933} (( segid " " and resid 1771 and name HA )) (( segid " " and resid 1771 and name HB3 )) 2.600 0.800 0.800 peak 3933 spectrum 1 weight 0.10000E+01 volume 0.39179E-02 ppm1 4.332 ppm2 3.834 CV 1 ASSI { 3936} (( segid " " and resid 1771 and name HB2 )) (( segid " " and resid 1771 and name H )) 3.000 1.100 1.100 peak 3936 spectrum 1 weight 0.10000E+01 volume 0.12969E-02 ppm1 4.083 ppm2 8.546 CV 1 ASSI { 3937} (( segid " " and resid 1771 and name HB3 )) (( segid " " and resid 1770 and name HB2 )) 4.300 2.300 1.700 peak 3937 spectrum 1 weight 0.10000E+01 volume 0.61630E-03 ppm1 3.831 ppm2 2.269 CV 1 ASSI { 3938} (( segid " " and resid 1771 and name HB3 )) (( segid " " and resid 1803 and name HB3 )) 4.200 2.200 1.800 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.79579E-03 ppm1 3.833 ppm2 2.060 CV 1 OR { 3938} (( segid " " and resid 1771 and name HB3 )) ( segid " " and resid 1803 and name HE% ) ASSI { 3939} (( segid " " and resid 1771 and name HB2 )) (( segid " " and resid 1770 and name HB2 )) 4.400 2.500 1.600 peak 3939 spectrum 1 weight 0.10000E+01 volume 0.35217E-03 ppm1 4.091 ppm2 2.269 CV 1 ASSI { 3940} (( segid " " and resid 1771 and name HA )) ( segid " " and resid 1806 and name HB% ) 4.300 2.300 1.700 peak 3940 spectrum 1 weight 0.10000E+01 volume 0.67048E-03 ppm1 4.331 ppm2 1.592 CV 1 ASSI { 3941} (( segid " " and resid 1771 and name HB3 )) ( segid " " and resid 1806 and name HB% ) 4.200 2.200 1.800 peak 3941 spectrum 1 weight 0.10000E+01 volume 0.55196E-03 ppm1 3.832 ppm2 1.594 CV 1 ASSI { 3942} (( segid " " and resid 1771 and name HB3 )) ( segid " " and resid 1767 and name HG2%) 4.200 2.300 1.800 peak 3942 spectrum 1 weight 0.10000E+01 volume 0.46731E-03 ppm1 3.837 ppm2 1.299 CV 1 ASSI { 3943} (( segid " " and resid 1752 and name HA )) ( segid " " and resid 1753 and name HD1%) 4.700 2.700 1.300 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.53842E-03 ppm1 4.317 ppm2 0.873 CV 1 ASSI { 3944} (( segid " " and resid 1772 and name HA )) ( segid " " and resid 1775 and name HD2%) 4.200 2.200 1.800 peak 3944 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 4.497 ppm2 0.885 CV 1 ASSI { 3945} (( segid " " and resid 1772 and name HA )) ( segid " " and resid 1709 and name HG2%) 5.600 3.900 0.400 peak 3945 spectrum 1 weight 0.10000E+01 volume 0.48424E-03 ppm1 4.496 ppm2 0.815 CV 1 ASSI { 3946} (( segid " " and resid 1772 and name HA )) ( segid " " and resid 1775 and name HD1%) 3.600 1.600 1.600 peak 3946 spectrum 1 weight 0.10000E+01 volume 0.16593E-02 ppm1 4.503 ppm2 1.025 CV 1 ASSI { 3947} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1775 and name HB2 )) 2.800 1.000 1.000 peak 3947 spectrum 1 weight 0.10000E+01 volume 0.22146E-02 ppm1 4.500 ppm2 1.351 CV 1 ASSI { 3949} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1775 and name HG )) 4.000 2.000 2.000 peak 3949 spectrum 1 weight 0.10000E+01 volume 0.67048E-03 ppm1 4.504 ppm2 1.503 CV 1 ASSI { 3950} (( segid " " and resid 1772 and name HA )) ( segid " " and resid 1799 and name HB% ) 4.500 2.500 1.500 peak 3950 spectrum 1 weight 0.10000E+01 volume 0.41990E-03 ppm1 4.499 ppm2 1.573 CV 1 ASSI { 3952} ( segid " " and resid 1772 and name HB% ) ( segid " " and resid 1776 and name HD2%) 3.300 1.400 1.400 peak 3952 spectrum 1 weight 0.10000E+01 volume 0.18489E-02 ppm1 1.281 ppm2 0.866 CV 1 ASSI { 3953} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1773 and name HB2 )) 3.200 1.300 1.300 peak 3953 spectrum 1 weight 0.10000E+01 volume 0.27463E-02 ppm1 1.278 ppm2 1.766 CV 1 ASSI { 3954} (( segid " " and resid 1772 and name HA )) ( segid " " and resid 1668 and name HD2%) 4.300 2.400 1.700 peak 3954 spectrum 1 weight 0.10000E+01 volume 0.32847E-03 ppm1 4.493 ppm2 0.375 CV 1 ASSI { 3955} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1776 and name HG )) 3.900 1.900 1.900 peak 3955 spectrum 1 weight 0.10000E+01 volume 0.39281E-03 ppm1 4.490 ppm2 1.967 CV 1 ASSI { 3956} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1776 and name HG )) 4.000 2.000 2.000 peak 3956 spectrum 1 weight 0.10000E+01 volume 0.52487E-03 ppm1 1.278 ppm2 1.961 CV 1 OR { 3956} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1776 and name HB2 )) ASSI { 3959} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1775 and name HB3 )) 2.300 0.700 0.700 peak 3959 spectrum 1 weight 0.10000E+01 volume 0.36470E-02 ppm1 4.504 ppm2 2.341 CV 1 ASSI { 3960} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1775 and name HB3 )) 3.600 1.600 1.600 peak 3960 spectrum 1 weight 0.10000E+01 volume 0.15949E-02 ppm1 1.275 ppm2 2.341 CV 1 ASSI { 3962} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1803 and name HG2 )) 4.300 2.300 1.700 peak 3962 spectrum 1 weight 0.10000E+01 volume 0.40635E-03 ppm1 4.495 ppm2 2.488 CV 1 ASSI { 3963} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1803 and name HG3 )) 3.700 1.700 1.700 peak 3963 spectrum 1 weight 0.10000E+01 volume 0.29122E-03 ppm1 4.503 ppm2 2.759 CV 1 ASSI { 3965} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1773 and name HA )) 4.300 2.300 1.700 peak 3965 spectrum 1 weight 0.10000E+01 volume 0.79919E-03 ppm1 1.277 ppm2 3.733 CV 1 ASSI { 3966} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1775 and name HA )) 4.500 2.500 1.500 peak 3966 spectrum 1 weight 0.10000E+01 volume 0.62646E-03 ppm1 4.499 ppm2 3.998 CV 1 ASSI { 3967} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1771 and name HB3 )) 3.900 1.900 1.900 peak 3967 spectrum 1 weight 0.10000E+01 volume 0.50455E-03 ppm1 4.494 ppm2 3.845 CV 1 ASSI { 3968} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1771 and name HB2 )) 4.100 2.100 1.900 peak 3968 spectrum 1 weight 0.10000E+01 volume 0.43683E-03 ppm1 4.496 ppm2 4.091 CV 1 ASSI { 3969} ( segid " " and resid 1772 and name HB% ) ( segid " " and resid 1738 and name HD% ) 3.700 1.700 1.700 peak 3969 spectrum 1 weight 0.10000E+01 volume 0.73822E-03 ppm1 1.276 ppm2 7.280 CV 1 ASSI { 3970} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1774 and name H )) 4.200 2.200 1.800 peak 3970 spectrum 1 weight 0.10000E+01 volume 0.32509E-03 ppm1 4.499 ppm2 7.603 CV 1 ASSI { 3971} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1775 and name H )) 2.700 0.900 0.900 peak 3971 spectrum 1 weight 0.10000E+01 volume 0.25871E-02 ppm1 4.499 ppm2 8.145 CV 1 ASSI { 3972} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1772 and name H )) 2.600 0.900 0.900 peak 3972 spectrum 1 weight 0.10000E+01 volume 0.29325E-02 ppm1 4.500 ppm2 8.490 CV 1 ASSI { 3973} (( segid " " and resid 1772 and name HA )) (( segid " " and resid 1776 and name H )) 3.800 1.800 1.800 peak 3973 spectrum 1 weight 0.10000E+01 volume 0.72801E-03 ppm1 4.504 ppm2 8.691 CV 1 ASSI { 3974} (( segid " " and resid 1774 and name HG2 )) (( segid " " and resid 1774 and name H )) 3.900 1.900 1.900 peak 3974 spectrum 1 weight 0.10000E+01 volume 0.19302E-02 ppm1 2.574 ppm2 7.617 CV 1 ASSI { 3975} (( segid " " and resid 1774 and name HG2 )) (( segid " " and resid 1774 and name HE21)) 3.100 1.200 1.200 peak 3975 spectrum 1 weight 0.10000E+01 volume 0.13308E-02 ppm1 2.573 ppm2 7.715 CV 1 ASSI { 3976} (( segid " " and resid 1774 and name HG2 )) (( segid " " and resid 1775 and name H )) 4.100 2.100 1.900 peak 3976 spectrum 1 weight 0.10000E+01 volume 0.76530E-03 ppm1 2.579 ppm2 8.155 CV 1 ASSI { 3979} (( segid " " and resid 1774 and name HG2 )) (( segid " " and resid 1774 and name HE22)) 4.300 2.400 1.700 peak 3979 spectrum 1 weight 0.10000E+01 volume 0.67387E-03 ppm1 2.577 ppm2 6.777 CV 1 ASSI { 3980} (( segid " " and resid 1774 and name HG2 )) (( segid " " and resid 1774 and name HA )) 3.300 1.400 1.400 peak 3980 spectrum 1 weight 0.10000E+01 volume 0.21570E-02 ppm1 2.571 ppm2 4.268 CV 1 ASSI { 3981} (( segid " " and resid 1774 and name HG2 )) (( segid " " and resid 1774 and name HG3 )) 1.800 0.400 0.400 peak 3981 spectrum 1 weight 0.10000E+01 volume 0.12899E-01 ppm1 2.577 ppm2 2.451 CV 1 ASSI { 3982} (( segid " " and resid 1774 and name HG3 )) ( segid " " and resid 1799 and name HB% ) 2.900 1.000 1.000 peak 3982 spectrum 1 weight 0.10000E+01 volume 0.27090E-02 ppm1 2.444 ppm2 1.570 CV 1 ASSI { 3983} (( segid " " and resid 1774 and name HG2 )) ( segid " " and resid 1799 and name HB% ) 2.900 1.000 1.000 peak 3983 spectrum 1 weight 0.10000E+01 volume 0.21469E-02 ppm1 2.575 ppm2 1.570 CV 1 ASSI { 3984} (( segid " " and resid 1774 and name HG2 )) (( segid " " and resid 1775 and name HB2 )) 5.800 4.300 0.200 peak 3984 spectrum 1 weight 0.10000E+01 volume 0.81273E-04 ppm1 2.581 ppm2 1.340 CV 1 ASSI { 3987} (( segid " " and resid 1774 and name HA )) (( segid " " and resid 1773 and name HG )) 3.900 1.900 1.900 peak 3987 spectrum 1 weight 0.10000E+01 volume 0.75176E-03 ppm1 4.270 ppm2 1.559 CV 1 ASSI { 3988} (( segid " " and resid 1801 and name HB3 )) ( segid " " and resid 1804 and name HG2%) 4.300 2.300 1.700 peak 3988 spectrum 1 weight 0.10000E+01 volume 0.47747E-03 ppm1 2.247 ppm2 1.292 CV 1 ASSI { 3989} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1775 and name H )) 3.800 1.800 1.800 peak 3989 spectrum 1 weight 0.10000E+01 volume 0.15577E-02 ppm1 1.023 ppm2 8.151 CV 1 ASSI { 3990} (( segid " " and resid 1775 and name HG )) (( segid " " and resid 1775 and name H )) 4.700 2.800 1.300 peak 3990 spectrum 1 weight 0.10000E+01 volume 0.64339E-03 ppm1 1.494 ppm2 8.161 CV 1 ASSI { 3994} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1776 and name H )) 3.600 1.600 1.600 peak 3994 spectrum 1 weight 0.10000E+01 volume 0.68406E-03 ppm1 1.025 ppm2 8.687 CV 1 ASSI { 3995} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1717 and name H )) 4.200 2.200 1.800 peak 3995 spectrum 1 weight 0.10000E+01 volume 0.73142E-03 ppm1 1.029 ppm2 8.529 CV 1 ASSI { 3997} (( segid " " and resid 1775 and name HB2 )) (( segid " " and resid 1800 and name H )) 4.300 2.300 1.700 peak 3997 spectrum 1 weight 0.10000E+01 volume 0.35556E-03 ppm1 1.347 ppm2 8.531 CV 1 ASSI { 3999} ( segid " " and resid 1776 and name HD2%) (( segid " " and resid 1776 and name H )) 3.000 1.100 1.100 peak 3999 spectrum 1 weight 0.10000E+01 volume 0.28343E-02 ppm1 0.878 ppm2 8.681 CV 1 ASSI { 4001} ( segid " " and resid 1775 and name HD2%) (( segid " " and resid 1717 and name H )) 3.300 1.400 1.400 peak 4001 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 0.885 ppm2 8.508 CV 1 ASSI { 4007} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1775 and name HA )) 3.300 1.300 1.300 peak 4007 spectrum 1 weight 0.10000E+01 volume 0.14798E-02 ppm1 1.025 ppm2 3.997 CV 1 ASSI { 4008} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1800 and name HA )) 4.400 2.400 1.600 peak 4008 spectrum 1 weight 0.10000E+01 volume 0.92446E-03 ppm1 1.023 ppm2 3.410 CV 1 ASSI { 4009} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1713 and name HA )) 3.400 1.500 1.500 peak 4009 spectrum 1 weight 0.10000E+01 volume 0.14967E-02 ppm1 1.027 ppm2 3.331 CV 1 ASSI { 4010} ( segid " " and resid 1775 and name HD2%) (( segid " " and resid 1800 and name HA )) 2.600 0.800 0.800 peak 4010 spectrum 1 weight 0.10000E+01 volume 0.33998E-02 ppm1 0.882 ppm2 3.414 CV 1 ASSI { 4011} ( segid " " and resid 1775 and name HD2%) (( segid " " and resid 1713 and name HA )) 4.000 2.000 2.000 peak 4011 spectrum 1 weight 0.10000E+01 volume 0.46054E-03 ppm1 0.880 ppm2 3.337 CV 1 ASSI { 4012} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1734 and name HG3 )) 4.100 2.100 1.900 peak 4012 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 1.025 ppm2 2.488 CV 1 ASSI { 4013} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1775 and name HB3 )) 2.300 0.600 0.600 peak 4013 spectrum 1 weight 0.10000E+01 volume 0.44733E-02 ppm1 1.025 ppm2 2.337 CV 1 ASSI { 4014} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1803 and name HG3 )) 3.900 1.900 1.900 peak 4014 spectrum 1 weight 0.10000E+01 volume 0.11919E-02 ppm1 1.026 ppm2 2.762 CV 1 ASSI { 4016} (( segid " " and resid 1775 and name HG )) (( segid " " and resid 1775 and name HB3 )) 2.800 1.000 1.000 peak 4016 spectrum 1 weight 0.10000E+01 volume 0.17676E-02 ppm1 1.498 ppm2 2.341 CV 1 ASSI { 4017} (( segid " " and resid 1775 and name HB2 )) (( segid " " and resid 1775 and name HB3 )) 2.100 0.500 0.500 peak 4017 spectrum 1 weight 0.10000E+01 volume 0.37994E-02 ppm1 1.350 ppm2 2.336 CV 1 ASSI { 4019} ( segid " " and resid 1775 and name HD1%) ( segid " " and resid 1734 and name HE% ) 2.300 0.700 0.700 peak 4019 spectrum 1 weight 0.10000E+01 volume 0.56043E-02 ppm1 1.025 ppm2 2.031 CV 1 ASSI { 4020} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1776 and name HG )) 3.400 1.500 1.500 peak 4020 spectrum 1 weight 0.10000E+01 volume 0.99557E-03 ppm1 1.029 ppm2 1.949 CV 1 ASSI { 4023} (( segid " " and resid 1775 and name HB2 )) ( segid " " and resid 1799 and name HB% ) 3.100 1.200 1.200 peak 4023 spectrum 1 weight 0.10000E+01 volume 0.14155E-02 ppm1 1.348 ppm2 1.575 CV 1 ASSI { 4024} (( segid " " and resid 1775 and name HB2 )) (( segid " " and resid 1775 and name HG )) 2.600 0.900 0.900 peak 4024 spectrum 1 weight 0.10000E+01 volume 0.21198E-02 ppm1 1.349 ppm2 1.495 CV 1 ASSI { 4026} ( segid " " and resid 1775 and name HD1%) ( segid " " and resid 1796 and name HD1%) 3.200 1.200 1.200 peak 4026 spectrum 1 weight 0.10000E+01 volume 0.21808E-02 ppm1 1.029 ppm2 0.811 CV 1 ASSI { 4028} (( segid " " and resid 1775 and name HB2 )) ( segid " " and resid 1775 and name HD1%) 3.500 1.500 1.500 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.20013E-02 ppm1 1.349 ppm2 1.025 CV 1 ASSI { 4029} (( segid " " and resid 1775 and name HB2 )) ( segid " " and resid 1775 and name HD2%) 2.800 1.000 1.000 peak 4029 spectrum 1 weight 0.10000E+01 volume 0.22756E-02 ppm1 1.349 ppm2 0.882 CV 1 ASSI { 4034} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1777 and name H )) 4.500 2.500 1.500 peak 4034 spectrum 1 weight 0.10000E+01 volume 0.59937E-03 ppm1 0.798 ppm2 8.879 CV 1 ASSI { 4035} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1668 and name H )) 3.700 1.700 1.700 peak 4035 spectrum 1 weight 0.10000E+01 volume 0.28445E-03 ppm1 0.787 ppm2 8.520 CV 1 ASSI { 4036} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1665 and name H )) 3.300 1.400 1.400 peak 4036 spectrum 1 weight 0.10000E+01 volume 0.11818E-02 ppm1 0.794 ppm2 8.437 CV 1 ASSI { 4038} (( segid " " and resid 1776 and name HB2 )) (( segid " " and resid 1775 and name H )) 4.600 2.700 1.400 peak 4038 spectrum 1 weight 0.10000E+01 volume 0.34879E-03 ppm1 1.972 ppm2 8.146 CV 1 ASSI { 4039} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1773 and name H )) 3.100 3.100 2.900 peak 4039 spectrum 1 weight 0.10000E+01 volume 0.72801E-03 ppm1 0.790 ppm2 8.136 CV 1 ASSI { 4041} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1777 and name HA )) 6.000 6.000 0.000 peak 4041 spectrum 1 weight 0.10000E+01 volume 0.20318E-04 ppm1 0.790 ppm2 4.215 CV 1 ASSI { 4043} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1776 and name HA )) 3.900 1.900 1.900 peak 4043 spectrum 1 weight 0.10000E+01 volume 0.13342E-02 ppm1 0.796 ppm2 3.957 CV 1 ASSI { 4044} (( segid " " and resid 1776 and name HB3 )) (( segid " " and resid 1776 and name HA )) 2.700 0.900 0.900 peak 4044 spectrum 1 weight 0.10000E+01 volume 0.18387E-02 ppm1 1.176 ppm2 3.956 CV 1 ASSI { 4046} (( segid " " and resid 1776 and name HA )) (( segid " " and resid 1773 and name HA )) 4.100 2.100 1.900 peak 4046 spectrum 1 weight 0.10000E+01 volume 0.86349E-03 ppm1 3.960 ppm2 3.731 CV 1 ASSI { 4047} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1773 and name HA )) 3.300 1.400 1.400 peak 4047 spectrum 1 weight 0.10000E+01 volume 0.22891E-02 ppm1 0.797 ppm2 3.728 CV 1 ASSI { 4048} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1665 and name HA )) 2.800 1.000 1.000 peak 4048 spectrum 1 weight 0.10000E+01 volume 0.20386E-02 ppm1 0.794 ppm2 3.394 CV 1 ASSI { 4049} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1661 and name HB3 )) 4.500 2.500 1.500 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.31831E-03 ppm1 0.793 ppm2 2.474 CV 1 ASSI { 4050} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1775 and name HB3 )) 6.000 4.600 0.000 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.54180E-04 ppm1 0.796 ppm2 2.323 CV 1 ASSI { 4051} ( segid " " and resid 1775 and name HD2%) (( segid " " and resid 1775 and name HB3 )) 3.400 1.400 1.400 peak 4051 spectrum 1 weight 0.10000E+01 volume 0.24991E-02 ppm1 0.885 ppm2 2.348 CV 1 ASSI { 4052} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1776 and name HG )) 2.300 0.600 0.600 peak 4052 spectrum 1 weight 0.10000E+01 volume 0.65152E-02 ppm1 0.795 ppm2 1.965 CV 1 OR { 4052} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1776 and name HB2 )) ASSI { 4053} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1665 and name HG12)) 3.100 1.200 1.200 peak 4053 spectrum 1 weight 0.10000E+01 volume 0.19403E-02 ppm1 0.795 ppm2 1.708 CV 1 ASSI { 4058} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1668 and name HB2 )) 2.700 0.900 0.900 peak 4058 spectrum 1 weight 0.10000E+01 volume 0.31594E-02 ppm1 0.797 ppm2 1.281 CV 1 ASSI { 4059} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1776 and name HB3 )) 2.500 0.800 0.800 peak 4059 spectrum 1 weight 0.10000E+01 volume 0.40872E-02 ppm1 0.796 ppm2 1.177 CV 1 ASSI { 4063} ( segid " " and resid 1776 and name HD1%) ( segid " " and resid 1776 and name HD2%) 2.100 0.600 0.600 peak 4063 spectrum 1 weight 0.10000E+01 volume 0.12567E-01 ppm1 0.795 ppm2 0.872 CV 1 ASSI { 4064} (( segid " " and resid 1776 and name HB3 )) (( segid " " and resid 1665 and name HG13)) 3.200 1.300 1.300 peak 4064 spectrum 1 weight 0.10000E+01 volume 0.54519E-03 ppm1 1.176 ppm2 0.594 CV 1 ASSI { 4067} ( segid " " and resid 1776 and name HD1%) ( segid " " and resid 1665 and name HD1%) 2.600 2.600 3.400 peak 4067 spectrum 1 weight 0.10000E+01 volume 0.20148E-02 ppm1 0.793 ppm2 0.451 CV 1 ASSI { 4072} (( segid " " and resid 1776 and name HA )) ( segid " " and resid 1665 and name HD1%) 4.600 2.600 1.400 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.39958E-03 ppm1 3.956 ppm2 0.459 CV 1 ASSI { 4073} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1779 and name H )) 3.700 1.700 1.700 peak 4073 spectrum 1 weight 0.10000E+01 volume 0.15306E-02 ppm1 1.270 ppm2 9.220 CV 1 ASSI { 4074} (( segid " " and resid 1778 and name HA )) (( segid " " and resid 1779 and name H )) 3.400 1.400 1.400 peak 4074 spectrum 1 weight 0.10000E+01 volume 0.11174E-02 ppm1 4.068 ppm2 9.215 CV 1 ASSI { 4075} (( segid " " and resid 1778 and name HB )) (( segid " " and resid 1779 and name H )) 3.200 1.300 1.300 peak 4075 spectrum 1 weight 0.10000E+01 volume 0.13816E-02 ppm1 4.110 ppm2 9.217 CV 1 ASSI { 4076} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1796 and name H )) 2.900 1.100 1.100 peak 4076 spectrum 1 weight 0.10000E+01 volume 0.32915E-02 ppm1 1.270 ppm2 8.179 CV 1 ASSI { 4077} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1778 and name H )) 2.700 0.900 0.900 peak 4077 spectrum 1 weight 0.10000E+01 volume 0.36470E-02 ppm1 1.270 ppm2 8.109 CV 1 ASSI { 4079} (( segid " " and resid 1778 and name HB )) (( segid " " and resid 1796 and name H )) 3.800 1.800 1.800 peak 4079 spectrum 1 weight 0.10000E+01 volume 0.50794E-03 ppm1 4.109 ppm2 8.173 CV 1 ASSI { 4080} (( segid " " and resid 1778 and name HB )) (( segid " " and resid 1778 and name H )) 3.300 1.300 1.300 peak 4080 spectrum 1 weight 0.10000E+01 volume 0.19370E-02 ppm1 4.111 ppm2 8.110 CV 1 ASSI { 4081} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1774 and name HE21)) 3.400 1.500 1.500 peak 4081 spectrum 1 weight 0.10000E+01 volume 0.96508E-03 ppm1 1.269 ppm2 7.713 CV 1 ASSI { 4082} (( segid " " and resid 1778 and name HA )) (( segid " " and resid 1781 and name H )) 3.200 1.300 1.300 peak 4082 spectrum 1 weight 0.10000E+01 volume 0.12631E-02 ppm1 4.070 ppm2 7.396 CV 1 ASSI { 4083} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1774 and name HE22)) 4.300 2.300 1.700 peak 4083 spectrum 1 weight 0.10000E+01 volume 0.41312E-03 ppm1 1.274 ppm2 6.782 CV 1 ASSI { 4084} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1796 and name HA )) 2.500 0.800 0.800 peak 4084 spectrum 1 weight 0.10000E+01 volume 0.78089E-02 ppm1 1.270 ppm2 4.215 CV 1 ASSI { 4085} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1775 and name HA )) 3.500 1.500 1.500 peak 4085 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 1.272 ppm2 3.993 CV 1 ASSI { 4086} (( segid " " and resid 1778 and name HB )) (( segid " " and resid 1796 and name HA )) 2.800 1.000 1.000 peak 4086 spectrum 1 weight 0.10000E+01 volume 0.21097E-02 ppm1 4.114 ppm2 4.216 CV 1 ASSI { 4087} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1781 and name HB2 )) 3.500 1.500 1.500 peak 4087 spectrum 1 weight 0.10000E+01 volume 0.15137E-02 ppm1 1.270 ppm2 2.165 CV 1 ASSI { 4088} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1781 and name HG3 )) 3.600 1.700 1.700 peak 4088 spectrum 1 weight 0.10000E+01 volume 0.11344E-02 ppm1 1.266 ppm2 2.344 CV 1 ASSI { 4089} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1774 and name HG2 )) 4.300 2.300 1.700 peak 4089 spectrum 1 weight 0.10000E+01 volume 0.45038E-03 ppm1 1.272 ppm2 2.583 CV 1 ASSI { 4091} (( segid " " and resid 1778 and name HA )) (( segid " " and resid 1781 and name HB2 )) 2.700 0.900 0.900 peak 4091 spectrum 1 weight 0.10000E+01 volume 0.34879E-02 ppm1 4.069 ppm2 2.163 CV 1 OR { 4091} (( segid " " and resid 1778 and name HA )) (( segid " " and resid 1781 and name HB3 )) ASSI { 4092} (( segid " " and resid 1778 and name HB )) (( segid " " and resid 1781 and name HB2 )) 4.500 2.600 1.500 peak 4092 spectrum 1 weight 0.10000E+01 volume 0.26074E-03 ppm1 4.100 ppm2 2.153 CV 1 ASSI { 4093} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1796 and name HB3 )) 4.300 2.300 1.700 peak 4093 spectrum 1 weight 0.10000E+01 volume 0.11344E-02 ppm1 1.267 ppm2 1.889 CV 1 ASSI { 4094} ( segid " " and resid 1778 and name HG2%) ( segid " " and resid 1795 and name HB% ) 2.300 0.600 0.600 peak 4094 spectrum 1 weight 0.10000E+01 volume 0.11195E-01 ppm1 1.271 ppm2 1.522 CV 1 ASSI { 4095} (( segid " " and resid 1778 and name HB )) ( segid " " and resid 1795 and name HB% ) 3.400 1.400 1.400 peak 4095 spectrum 1 weight 0.10000E+01 volume 0.13037E-02 ppm1 4.114 ppm2 1.525 CV 1 ASSI { 4097} (( segid " " and resid 1778 and name HA )) ( segid " " and resid 1795 and name HB% ) 4.200 2.200 1.800 peak 4097 spectrum 1 weight 0.10000E+01 volume 0.74496E-03 ppm1 4.073 ppm2 1.516 CV 1 ASSI { 4098} (( segid " " and resid 1778 and name HB )) ( segid " " and resid 1778 and name HG2%) 2.500 0.800 0.800 peak 4098 spectrum 1 weight 0.10000E+01 volume 0.46290E-02 ppm1 4.112 ppm2 1.270 CV 1 ASSI { 4099} (( segid " " and resid 1778 and name HA )) ( segid " " and resid 1778 and name HG2%) 2.600 0.800 0.800 peak 4099 spectrum 1 weight 0.10000E+01 volume 0.52792E-02 ppm1 4.069 ppm2 1.271 CV 1 ASSI { 4100} ( segid " " and resid 1778 and name HG2%) ( segid " " and resid 1796 and name HD1%) 3.200 1.300 1.300 peak 4100 spectrum 1 weight 0.10000E+01 volume 0.40737E-02 ppm1 1.272 ppm2 0.804 CV 1 ASSI { 4101} (( segid " " and resid 1778 and name HB )) ( segid " " and resid 1775 and name HD2%) 4.000 2.000 2.000 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.85676E-03 ppm1 4.114 ppm2 0.870 CV 1 ASSI { 4102} (( segid " " and resid 1778 and name HA )) ( segid " " and resid 1796 and name HD2%) 4.700 2.700 1.300 peak 4102 spectrum 1 weight 0.10000E+01 volume 0.38265E-03 ppm1 4.070 ppm2 0.862 CV 1 ASSI { 4103} (( segid " " and resid 1778 and name HA )) ( segid " " and resid 1796 and name HD1%) 4.400 2.400 1.600 peak 4103 spectrum 1 weight 0.10000E+01 volume 0.45376E-03 ppm1 4.069 ppm2 0.814 CV 1 ASSI { 4104} (( segid " " and resid 1705 and name HA )) (( segid " " and resid 1708 and name HB2 )) 2.800 1.000 1.000 peak 4104 spectrum 1 weight 0.10000E+01 volume 0.18489E-02 ppm1 3.947 ppm2 0.952 CV 1 ASSI { 4106} (( segid " " and resid 1779 and name HA )) ( segid " " and resid 1716 and name HD2%) 4.300 2.300 1.700 peak 4106 spectrum 1 weight 0.10000E+01 volume 0.64339E-03 ppm1 3.951 ppm2 0.702 CV 1 ASSI { 4107} (( segid " " and resid 1779 and name HA )) ( segid " " and resid 1779 and name HB% ) 2.300 0.600 0.600 peak 4107 spectrum 1 weight 0.10000E+01 volume 0.81137E-02 ppm1 3.953 ppm2 1.350 CV 1 ASSI { 4108} (( segid " " and resid 1779 and name HA )) ( segid " " and resid 1782 and name HB% ) 2.400 0.700 0.700 peak 4108 spectrum 1 weight 0.10000E+01 volume 0.63188E-02 ppm1 3.953 ppm2 1.503 CV 1 ASSI { 4109} (( segid " " and resid 1779 and name HA )) (( segid " " and resid 1796 and name HB3 )) 4.900 3.000 1.100 peak 4109 spectrum 1 weight 0.10000E+01 volume 0.50455E-03 ppm1 3.955 ppm2 1.907 CV 1 ASSI { 4110} (( segid " " and resid 1705 and name HA )) (( segid " " and resid 1708 and name HG3 )) 3.300 1.400 1.400 peak 4110 spectrum 1 weight 0.10000E+01 volume 0.11107E-02 ppm1 3.947 ppm2 2.038 CV 1 ASSI { 4111} (( segid " " and resid 1705 and name HA )) (( segid " " and resid 1708 and name HG2 )) 3.500 1.500 1.500 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.98543E-03 ppm1 3.945 ppm2 2.291 CV 1 ASSI { 4112} (( segid " " and resid 1705 and name HA )) (( segid " " and resid 1708 and name H )) 3.200 1.300 1.300 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.13410E-02 ppm1 3.946 ppm2 7.750 CV 1 ASSI { 4113} (( segid " " and resid 1779 and name HA )) (( segid " " and resid 1782 and name H )) 2.900 1.000 1.000 peak 4113 spectrum 1 weight 0.10000E+01 volume 0.17676E-02 ppm1 3.951 ppm2 8.083 CV 1 ASSI { 4114} (( segid " " and resid 1705 and name HA )) (( segid " " and resid 1706 and name H )) 3.400 1.400 1.400 peak 4114 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 3.941 ppm2 8.489 CV 1 ASSI { 4115} (( segid " " and resid 1779 and name HA )) (( segid " " and resid 1780 and name H )) 3.300 1.400 1.400 peak 4115 spectrum 1 weight 0.10000E+01 volume 0.10295E-02 ppm1 3.957 ppm2 8.411 CV 1 ASSI { 4119} (( segid " " and resid 1780 and name HD3 )) (( segid " " and resid 1780 and name H )) 4.700 2.800 1.300 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.47408E-03 ppm1 1.658 ppm2 8.416 CV 1 ASSI { 4120} (( segid " " and resid 1780 and name HD2 )) (( segid " " and resid 1780 and name H )) 3.500 3.500 2.500 peak 4120 spectrum 1 weight 0.10000E+01 volume 0.37587E-03 ppm1 1.569 ppm2 8.416 CV 1 ASSI { 4122} (( segid " " and resid 1780 and name HG3 )) (( segid " " and resid 1780 and name H )) 4.600 2.600 1.400 peak 4122 spectrum 1 weight 0.10000E+01 volume 0.55535E-03 ppm1 1.403 ppm2 8.415 CV 1 ASSI { 4123} (( segid " " and resid 1780 and name HA )) (( segid " " and resid 1781 and name H )) 3.400 1.400 1.400 peak 4123 spectrum 1 weight 0.10000E+01 volume 0.10497E-02 ppm1 3.968 ppm2 7.389 CV 1 ASSI { 4125} (( segid " " and resid 1780 and name HB2 )) (( segid " " and resid 1781 and name H )) 3.800 1.800 1.800 peak 4125 spectrum 1 weight 0.10000E+01 volume 0.16085E-02 ppm1 2.085 ppm2 7.394 CV 1 ASSI { 4126} (( segid " " and resid 1780 and name HD3 )) (( segid " " and resid 1781 and name H )) 3.600 1.600 1.600 peak 4126 spectrum 1 weight 0.10000E+01 volume 0.33186E-03 ppm1 1.677 ppm2 7.401 CV 1 ASSI { 4128} (( segid " " and resid 1780 and name HE3 )) ( segid " " and resid 1653 and name HE% ) 3.800 1.800 1.800 peak 4128 spectrum 1 weight 0.10000E+01 volume 0.21334E-03 ppm1 2.992 ppm2 7.395 CV 1 ASSI { 4130} (( segid " " and resid 1780 and name HG3 )) (( segid " " and resid 1781 and name H )) 4.700 2.800 1.300 peak 4130 spectrum 1 weight 0.10000E+01 volume 0.35556E-03 ppm1 1.400 ppm2 7.400 CV 1 ASSI { 4131} (( segid " " and resid 1780 and name HG3 )) (( segid " " and resid 1658 and name HE22)) 3.800 1.800 1.800 peak 4131 spectrum 1 weight 0.10000E+01 volume 0.60615E-03 ppm1 1.411 ppm2 7.338 CV 1 ASSI { 4132} (( segid " " and resid 1780 and name HE2 )) ( segid " " and resid 1653 and name HD% ) 6.000 4.600 0.000 peak 4132 spectrum 1 weight 0.10000E+01 volume 0.13545E-04 ppm1 3.088 ppm2 7.338 CV 1 ASSI { 4134} (( segid " " and resid 1780 and name HB2 )) (( segid " " and resid 1777 and name HA )) 3.200 1.300 1.300 peak 4134 spectrum 1 weight 0.10000E+01 volume 0.10667E-02 ppm1 2.080 ppm2 4.216 CV 1 ASSI { 4135} (( segid " " and resid 1780 and name HB2 )) (( segid " " and resid 1781 and name HA )) 4.900 3.000 1.100 peak 4135 spectrum 1 weight 0.10000E+01 volume 0.39958E-03 ppm1 2.083 ppm2 4.089 CV 1 ASSI { 4136} (( segid " " and resid 1780 and name HB2 )) (( segid " " and resid 1780 and name HA )) 2.600 0.900 0.900 peak 4136 spectrum 1 weight 0.10000E+01 volume 0.24110E-02 ppm1 2.078 ppm2 3.971 CV 1 ASSI { 4140} (( segid " " and resid 1780 and name HE2 )) (( segid " " and resid 1662 and name HA )) 3.800 1.800 1.800 peak 4140 spectrum 1 weight 0.10000E+01 volume 0.84655E-03 ppm1 3.085 ppm2 3.974 CV 1 ASSI { 4143} (( segid " " and resid 1780 and name HD2 )) (( segid " " and resid 1777 and name HA )) 4.600 2.600 1.400 peak 4143 spectrum 1 weight 0.10000E+01 volume 0.51132E-03 ppm1 1.574 ppm2 4.206 CV 1 ASSI { 4149} (( segid " " and resid 1780 and name HD2 )) (( segid " " and resid 1661 and name HB2 )) 3.900 1.900 1.900 peak 4149 spectrum 1 weight 0.10000E+01 volume 0.51471E-03 ppm1 1.583 ppm2 3.295 CV 1 ASSI { 4150} (( segid " " and resid 1780 and name HD3 )) (( segid " " and resid 1661 and name HB2 )) 4.600 2.700 1.400 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.52826E-03 ppm1 1.658 ppm2 3.299 CV 1 ASSI { 4151} (( segid " " and resid 1780 and name HA )) (( segid " " and resid 1661 and name HB2 )) 4.600 2.700 1.400 peak 4151 spectrum 1 weight 0.10000E+01 volume 0.12529E-03 ppm1 3.970 ppm2 3.307 CV 1 ASSI { 4152} (( segid " " and resid 1780 and name HA )) (( segid " " and resid 1780 and name HE2 )) 5.100 3.300 0.900 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.32170E-03 ppm1 3.969 ppm2 3.080 CV 1 ASSI { 4153} (( segid " " and resid 1780 and name HB3 )) (( segid " " and resid 1780 and name HE3 )) 5.000 3.100 1.000 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.19302E-03 ppm1 1.929 ppm2 2.998 CV 1 ASSI { 4154} (( segid " " and resid 1780 and name HA )) (( segid " " and resid 1780 and name HE3 )) 5.600 3.900 0.400 peak 4154 spectrum 1 weight 0.10000E+01 volume 0.23026E-03 ppm1 3.969 ppm2 3.003 CV 1 ASSI { 4156} (( segid " " and resid 1780 and name HB2 )) (( segid " " and resid 1780 and name HE2 )) 4.500 2.500 1.500 peak 4156 spectrum 1 weight 0.10000E+01 volume 0.41312E-03 ppm1 2.081 ppm2 3.081 CV 1 ASSI { 4158} (( segid " " and resid 1780 and name HD3 )) (( segid " " and resid 1780 and name HE3 )) 3.100 1.200 1.200 peak 4158 spectrum 1 weight 0.10000E+01 volume 0.13444E-02 ppm1 1.655 ppm2 2.998 CV 1 ASSI { 4161} (( segid " " and resid 1780 and name HE2 )) (( segid " " and resid 1780 and name HE3 )) 1.600 0.300 0.600 peak 4161 spectrum 1 weight 0.10000E+01 volume 0.23118E-01 ppm1 3.087 ppm2 2.997 CV 1 ASSI { 4163} (( segid " " and resid 1780 and name HG2 )) (( segid " " and resid 1780 and name HE3 )) 3.700 1.800 1.800 peak 4163 spectrum 1 weight 0.10000E+01 volume 0.55196E-03 ppm1 1.624 ppm2 2.996 CV 1 ASSI { 4164} (( segid " " and resid 1780 and name HG2 )) (( segid " " and resid 1780 and name HE2 )) 3.500 1.500 1.500 peak 4164 spectrum 1 weight 0.10000E+01 volume 0.52487E-03 ppm1 1.629 ppm2 3.085 CV 1 ASSI { 4165} (( segid " " and resid 1780 and name HB3 )) (( segid " " and resid 1661 and name HB3 )) 4.300 2.400 1.700 peak 4165 spectrum 1 weight 0.10000E+01 volume 0.10328E-02 ppm1 1.925 ppm2 2.471 CV 1 ASSI { 4166} (( segid " " and resid 1780 and name HD3 )) (( segid " " and resid 1661 and name HB3 )) 3.600 1.700 1.700 peak 4166 spectrum 1 weight 0.10000E+01 volume 0.99557E-03 ppm1 1.660 ppm2 2.456 CV 1 ASSI { 4167} (( segid " " and resid 1780 and name HD2 )) (( segid " " and resid 1661 and name HB3 )) 3.500 1.500 1.500 peak 4167 spectrum 1 weight 0.10000E+01 volume 0.88384E-03 ppm1 1.583 ppm2 2.465 CV 1 ASSI { 4168} (( segid " " and resid 1780 and name HD3 )) (( segid " " and resid 1780 and name HB2 )) 2.800 1.000 1.000 peak 4168 spectrum 1 weight 0.10000E+01 volume 0.12665E-02 ppm1 1.659 ppm2 2.079 CV 1 ASSI { 4169} (( segid " " and resid 1780 and name HD2 )) (( segid " " and resid 1780 and name HB2 )) 3.100 1.200 1.200 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.15780E-02 ppm1 1.581 ppm2 2.085 CV 1 ASSI { 4170} (( segid " " and resid 1780 and name HD3 )) (( segid " " and resid 1780 and name HB3 )) 2.900 1.100 1.100 peak 4170 spectrum 1 weight 0.10000E+01 volume 0.15644E-02 ppm1 1.653 ppm2 1.938 CV 1 ASSI { 4171} (( segid " " and resid 1780 and name HD2 )) (( segid " " and resid 1780 and name HB3 )) 3.700 1.700 1.700 peak 4171 spectrum 1 weight 0.10000E+01 volume 0.14764E-02 ppm1 1.584 ppm2 1.936 CV 1 ASSI { 4172} (( segid " " and resid 1780 and name HE2 )) (( segid " " and resid 1780 and name HB3 )) 3.800 1.800 1.800 peak 4172 spectrum 1 weight 0.10000E+01 volume 0.63662E-03 ppm1 3.087 ppm2 1.930 CV 1 ASSI { 4175} (( segid " " and resid 1780 and name HE3 )) (( segid " " and resid 1662 and name HB2 )) 3.300 1.300 1.300 peak 4175 spectrum 1 weight 0.10000E+01 volume 0.87363E-03 ppm1 2.995 ppm2 2.260 CV 1 ASSI { 4176} (( segid " " and resid 1780 and name HE3 )) (( segid " " and resid 1780 and name HB2 )) 4.300 2.300 1.700 peak 4176 spectrum 1 weight 0.10000E+01 volume 0.57228E-03 ppm1 2.999 ppm2 2.078 CV 1 ASSI { 4180} (( segid " " and resid 1780 and name HG3 )) (( segid " " and resid 1780 and name HB2 )) 2.800 1.000 1.000 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.17880E-02 ppm1 1.422 ppm2 2.077 CV 1 ASSI { 4183} (( segid " " and resid 1780 and name HB2 )) (( segid " " and resid 1780 and name HB3 )) 2.000 0.500 0.500 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.48153E-02 ppm1 2.082 ppm2 1.934 CV 1 ASSI { 4185} (( segid " " and resid 1780 and name HA )) (( segid " " and resid 1780 and name HG2 )) 3.100 1.200 1.200 peak 4185 spectrum 1 weight 0.10000E+01 volume 0.33321E-02 ppm1 3.970 ppm2 1.629 CV 1 ASSI { 4186} (( segid " " and resid 1780 and name HB3 )) (( segid " " and resid 1780 and name HG2 )) 2.600 0.800 0.800 peak 4186 spectrum 1 weight 0.10000E+01 volume 0.22281E-02 ppm1 1.932 ppm2 1.631 CV 1 ASSI { 4187} (( segid " " and resid 1780 and name HB2 )) (( segid " " and resid 1780 and name HG2 )) 3.000 1.100 1.100 peak 4187 spectrum 1 weight 0.10000E+01 volume 0.32372E-02 ppm1 2.088 ppm2 1.639 CV 1 ASSI { 4189} (( segid " " and resid 1780 and name HB3 )) (( segid " " and resid 1780 and name HG3 )) 3.500 1.500 1.500 peak 4189 spectrum 1 weight 0.10000E+01 volume 0.12902E-02 ppm1 1.927 ppm2 1.411 CV 1 ASSI { 4190} (( segid " " and resid 1780 and name HA )) (( segid " " and resid 1780 and name HG3 )) 2.500 0.800 0.800 peak 4190 spectrum 1 weight 0.10000E+01 volume 0.34980E-02 ppm1 3.969 ppm2 1.417 CV 1 ASSI { 4192} (( segid " " and resid 1780 and name HD3 )) (( segid " " and resid 1780 and name HG3 )) 2.800 1.000 1.000 peak 4192 spectrum 1 weight 0.10000E+01 volume 0.34202E-02 ppm1 1.661 ppm2 1.410 CV 1 ASSI { 4193} (( segid " " and resid 1780 and name HD2 )) (( segid " " and resid 1780 and name HG3 )) 2.400 0.700 0.700 peak 4193 spectrum 1 weight 0.10000E+01 volume 0.32406E-02 ppm1 1.583 ppm2 1.410 CV 1 ASSI { 4194} (( segid " " and resid 1780 and name HE2 )) (( segid " " and resid 1780 and name HG3 )) 3.400 1.400 1.400 peak 4194 spectrum 1 weight 0.10000E+01 volume 0.13680E-02 ppm1 3.090 ppm2 1.409 CV 1 ASSI { 4195} (( segid " " and resid 1780 and name HE3 )) (( segid " " and resid 1780 and name HG3 )) 3.300 1.400 1.400 peak 4195 spectrum 1 weight 0.10000E+01 volume 0.19132E-02 ppm1 2.995 ppm2 1.412 CV 1 ASSI { 4198} (( segid " " and resid 1780 and name HG3 )) (( segid " " and resid 1780 and name HG2 )) 1.900 0.500 0.500 peak 4198 spectrum 1 weight 0.10000E+01 volume 0.65998E-02 ppm1 1.407 ppm2 1.627 CV 1 ASSI { 4199} (( segid " " and resid 1780 and name HB3 )) ( segid " " and resid 1665 and name HD1%) 4.200 2.200 1.800 peak 4199 spectrum 1 weight 0.10000E+01 volume 0.55535E-03 ppm1 1.925 ppm2 0.459 CV 1 ASSI { 4201} (( segid " " and resid 1780 and name HD3 )) ( segid " " and resid 1665 and name HD1%) 2.700 0.900 0.900 peak 4201 spectrum 1 weight 0.10000E+01 volume 0.17168E-02 ppm1 1.655 ppm2 0.459 CV 1 ASSI { 4203} (( segid " " and resid 1780 and name HE2 )) ( segid " " and resid 1665 and name HD1%) 3.400 1.500 1.500 peak 4203 spectrum 1 weight 0.10000E+01 volume 0.15272E-02 ppm1 3.088 ppm2 0.453 CV 1 ASSI { 4204} (( segid " " and resid 1780 and name HE3 )) ( segid " " and resid 1665 and name HD1%) 3.400 1.400 1.400 peak 4204 spectrum 1 weight 0.10000E+01 volume 0.14696E-02 ppm1 2.997 ppm2 0.458 CV 1 ASSI { 4205} (( segid " " and resid 1780 and name HG2 )) ( segid " " and resid 1665 and name HD1%) 4.900 3.000 1.100 peak 4205 spectrum 1 weight 0.10000E+01 volume 0.37587E-03 ppm1 1.626 ppm2 0.460 CV 1 ASSI { 4206} (( segid " " and resid 1780 and name HG3 )) ( segid " " and resid 1665 and name HD1%) 4.900 3.000 1.100 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.36233E-03 ppm1 1.407 ppm2 0.457 CV 1 ASSI { 4208} (( segid " " and resid 1781 and name HB2 )) (( segid " " and resid 1782 and name H )) 2.500 0.800 0.800 peak 4208 spectrum 1 weight 0.10000E+01 volume 0.46527E-02 ppm1 2.160 ppm2 8.083 CV 1 OR { 4208} (( segid " " and resid 1781 and name HB3 )) (( segid " " and resid 1782 and name H )) ASSI { 4209} (( segid " " and resid 1781 and name HG3 )) (( segid " " and resid 1781 and name H )) 2.900 1.100 1.100 peak 4209 spectrum 1 weight 0.10000E+01 volume 0.25769E-02 ppm1 2.359 ppm2 7.392 CV 1 OR { 4209} (( segid " " and resid 1781 and name HG2 )) (( segid " " and resid 1781 and name H )) ASSI { 4211} (( segid " " and resid 1797 and name HG3 )) (( segid " " and resid 1798 and name H )) 3.900 1.900 1.900 peak 4211 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 2.354 ppm2 8.204 CV 1 ASSI { 4213} (( segid " " and resid 1781 and name HG3 )) (( segid " " and resid 1782 and name H )) 3.800 1.800 1.800 peak 4213 spectrum 1 weight 0.10000E+01 volume 0.14798E-02 ppm1 2.313 ppm2 8.076 CV 1 OR { 4213} (( segid " " and resid 1781 and name HG2 )) (( segid " " and resid 1782 and name H )) ASSI { 4217} (( segid " " and resid 1782 and name HA )) ( segid " " and resid 1782 and name HB% ) 2.200 0.600 0.600 peak 4217 spectrum 1 weight 0.10000E+01 volume 0.11256E-01 ppm1 4.032 ppm2 1.499 CV 1 ASSI { 4218} (( segid " " and resid 1782 and name HA )) (( segid " " and resid 1781 and name HB3 )) 3.400 1.400 1.400 peak 4218 spectrum 1 weight 0.10000E+01 volume 0.17846E-02 ppm1 4.036 ppm2 2.155 CV 1 OR { 4218} (( segid " " and resid 1782 and name HA )) (( segid " " and resid 1781 and name HB2 )) ASSI { 4221} ( segid " " and resid 1782 and name HB% ) ( segid " " and resid 1796 and name HD1%) 2.800 1.000 1.000 peak 4221 spectrum 1 weight 0.10000E+01 volume 0.34980E-02 ppm1 1.501 ppm2 0.814 CV 1 ASSI { 4222} ( segid " " and resid 1782 and name HB% ) (( segid " " and resid 1781 and name HB2 )) 3.800 1.900 1.900 peak 4222 spectrum 1 weight 0.10000E+01 volume 0.21265E-02 ppm1 1.490 ppm2 2.151 CV 1 ASSI { 4225} ( segid " " and resid 1782 and name HB% ) (( segid " " and resid 1720 and name HA )) 3.600 1.700 1.700 peak 4225 spectrum 1 weight 0.10000E+01 volume 0.77884E-03 ppm1 1.493 ppm2 3.851 CV 1 ASSI { 4226} ( segid " " and resid 1782 and name HB% ) (( segid " " and resid 1782 and name H )) 2.200 0.600 0.600 peak 4226 spectrum 1 weight 0.10000E+01 volume 0.11161E-01 ppm1 1.501 ppm2 8.082 CV 1 ASSI { 4227} (( segid " " and resid 1783 and name HA3 )) ( segid " " and resid 1727 and name HD2%) 3.300 1.400 1.400 peak 4227 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 3.803 ppm2 0.761 CV 1 ASSI { 4228} (( segid " " and resid 1783 and name HA2 )) ( segid " " and resid 1720 and name HB% ) 3.500 1.500 1.500 peak 4228 spectrum 1 weight 0.10000E+01 volume 0.50455E-03 ppm1 3.641 ppm2 1.554 CV 1 ASSI { 4229} (( segid " " and resid 1783 and name HA2 )) ( segid " " and resid 1782 and name HB% ) 3.800 1.800 1.800 peak 4229 spectrum 1 weight 0.10000E+01 volume 0.56889E-03 ppm1 3.637 ppm2 1.491 CV 1 ASSI { 4230} (( segid " " and resid 1783 and name HA3 )) ( segid " " and resid 1782 and name HB% ) 5.100 3.300 0.900 peak 4230 spectrum 1 weight 0.10000E+01 volume 0.24381E-03 ppm1 3.800 ppm2 1.494 CV 1 ASSI { 4231} (( segid " " and resid 1783 and name HA3 )) ( segid " " and resid 1720 and name HB% ) 6.000 6.000 0.000 peak 4231 spectrum 1 weight 0.10000E+01 volume 0.23704E-04 ppm1 3.790 ppm2 1.564 CV 1 ASSI { 4233} (( segid " " and resid 1783 and name HA2 )) (( segid " " and resid 1782 and name H )) 5.000 3.100 1.000 peak 4233 spectrum 1 weight 0.10000E+01 volume 0.31493E-03 ppm1 3.646 ppm2 8.080 CV 1 ASSI { 4234} (( segid " " and resid 1783 and name HA2 )) (( segid " " and resid 1658 and name HE21)) 4.500 2.500 1.500 peak 4234 spectrum 1 weight 0.10000E+01 volume 0.54519E-03 ppm1 3.645 ppm2 8.006 CV 1 ASSI { 4235} (( segid " " and resid 1783 and name HA3 )) (( segid " " and resid 1782 and name H )) 4.500 2.600 1.500 peak 4235 spectrum 1 weight 0.10000E+01 volume 0.70433E-03 ppm1 3.791 ppm2 8.076 CV 1 ASSI { 4237} (( segid " " and resid 1784 and name HA2 )) (( segid " " and resid 1785 and name H )) 3.200 1.300 1.300 peak 4237 spectrum 1 weight 0.10000E+01 volume 0.14933E-02 ppm1 3.763 ppm2 7.655 CV 1 OR { 4237} (( segid " " and resid 1784 and name HA3 )) (( segid " " and resid 1785 and name H )) ASSI { 4238} (( segid " " and resid 1784 and name HA2 )) (( segid " " and resid 1722 and name H )) 3.500 1.600 1.600 peak 4238 spectrum 1 weight 0.10000E+01 volume 0.96849E-03 ppm1 3.763 ppm2 7.346 CV 1 OR { 4238} (( segid " " and resid 1784 and name HA3 )) (( segid " " and resid 1722 and name H )) ASSI { 4239} (( segid " " and resid 1784 and name HA3 )) ( segid " " and resid 1724 and name HB% ) 2.700 0.900 0.900 peak 4239 spectrum 1 weight 0.10000E+01 volume 0.26176E-02 ppm1 3.761 ppm2 1.584 CV 1 OR { 4239} (( segid " " and resid 1784 and name HA2 )) ( segid " " and resid 1724 and name HB% ) ASSI { 4245} (( segid " " and resid 1792 and name HA )) ( segid " " and resid 1778 and name HG2%) 4.000 2.000 2.000 peak 4245 spectrum 1 weight 0.10000E+01 volume 0.49778E-03 ppm1 4.190 ppm2 1.271 CV 1 ASSI { 4246} (( segid " " and resid 1792 and name HA )) ( segid " " and resid 1792 and name HG2%) 2.600 0.800 0.800 peak 4246 spectrum 1 weight 0.10000E+01 volume 0.47070E-02 ppm1 4.181 ppm2 1.216 CV 1 ASSI { 4247} (( segid " " and resid 1792 and name HA )) ( segid " " and resid 1795 and name HB% ) 2.700 0.900 0.900 peak 4247 spectrum 1 weight 0.10000E+01 volume 0.43954E-02 ppm1 4.181 ppm2 1.518 CV 1 ASSI { 4248} ( segid " " and resid 1792 and name HG2%) (( segid " " and resid 1782 and name HA )) 2.700 0.900 0.900 peak 4248 spectrum 1 weight 0.10000E+01 volume 0.85608E-02 ppm1 1.216 ppm2 4.034 CV 1 ASSI { 4249} ( segid " " and resid 1792 and name HG2%) (( segid " " and resid 1781 and name HB2 )) 2.400 0.700 0.700 peak 4249 spectrum 1 weight 0.10000E+01 volume 0.56923E-02 ppm1 1.214 ppm2 2.157 CV 1 OR { 4249} ( segid " " and resid 1792 and name HG2%) (( segid " " and resid 1781 and name HB3 )) ASSI { 4250} ( segid " " and resid 1792 and name HG2%) (( segid " " and resid 1796 and name HB2 )) 2.400 0.700 0.700 peak 4250 spectrum 1 weight 0.10000E+01 volume 0.45952E-02 ppm1 1.214 ppm2 1.574 CV 1 ASSI { 4251} ( segid " " and resid 1792 and name HG2%) ( segid " " and resid 1782 and name HB% ) 2.200 0.600 0.600 peak 4251 spectrum 1 weight 0.10000E+01 volume 0.99693E-02 ppm1 1.213 ppm2 1.504 CV 1 ASSI { 4253} (( segid " " and resid 1792 and name HB )) (( segid " " and resid 1792 and name H )) 2.900 1.000 1.000 peak 4253 spectrum 1 weight 0.10000E+01 volume 0.17778E-02 ppm1 4.211 ppm2 7.353 CV 1 ASSI { 4254} (( segid " " and resid 1792 and name HA )) (( segid " " and resid 1796 and name H )) 3.800 1.800 1.800 peak 4254 spectrum 1 weight 0.10000E+01 volume 0.55535E-03 ppm1 4.181 ppm2 8.180 CV 1 ASSI { 4255} (( segid " " and resid 1792 and name HA )) (( segid " " and resid 1795 and name H )) 3.400 1.400 1.400 peak 4255 spectrum 1 weight 0.10000E+01 volume 0.99557E-03 ppm1 4.181 ppm2 8.027 CV 1 ASSI { 4257} ( segid " " and resid 1792 and name HG2%) (( segid " " and resid 1782 and name H )) 2.700 0.900 0.900 peak 4257 spectrum 1 weight 0.10000E+01 volume 0.19505E-02 ppm1 1.213 ppm2 8.078 CV 1 ASSI { 4258} (( segid " " and resid 1793 and name HB2 )) (( segid " " and resid 1793 and name HG2 )) 2.300 0.700 0.700 peak 4258 spectrum 1 weight 0.10000E+01 volume 0.87064E-02 ppm1 2.157 ppm2 2.396 CV 1 OR { 4258} (( segid " " and resid 1793 and name HB2 )) (( segid " " and resid 1793 and name HG3 )) ASSI { 4259} (( segid " " and resid 1793 and name HA )) (( segid " " and resid 1796 and name HB3 )) 2.700 0.900 0.900 peak 4259 spectrum 1 weight 0.10000E+01 volume 0.24517E-02 ppm1 4.029 ppm2 1.900 CV 1 ASSI { 4260} (( segid " " and resid 1793 and name HB3 )) ( segid " " and resid 1789 and name HB% ) 4.600 2.600 1.400 peak 4260 spectrum 1 weight 0.10000E+01 volume 0.30138E-03 ppm1 2.245 ppm2 1.489 CV 1 ASSI { 4263} (( segid " " and resid 1793 and name HB2 )) (( segid " " and resid 1793 and name HA )) 2.800 1.000 1.000 peak 4263 spectrum 1 weight 0.10000E+01 volume 0.48627E-02 ppm1 2.158 ppm2 4.034 CV 1 ASSI { 4266} (( segid " " and resid 1793 and name HB2 )) (( segid " " and resid 1794 and name H )) 2.800 1.000 1.000 peak 4266 spectrum 1 weight 0.10000E+01 volume 0.20995E-02 ppm1 2.156 ppm2 8.448 CV 1 ASSI { 4267} (( segid " " and resid 1793 and name HA )) (( segid " " and resid 1794 and name H )) 2.900 1.100 1.100 peak 4267 spectrum 1 weight 0.10000E+01 volume 0.26887E-02 ppm1 4.027 ppm2 8.453 CV 1 ASSI { 4268} (( segid " " and resid 1794 and name HB2 )) ( segid " " and resid 1795 and name HB% ) 3.600 1.600 1.600 peak 4268 spectrum 1 weight 0.10000E+01 volume 0.17338E-02 ppm1 2.087 ppm2 1.518 CV 1 ASSI { 4269} (( segid " " and resid 1805 and name HB2 )) (( segid " " and resid 1805 and name HA )) 2.300 0.600 0.600 peak 4269 spectrum 1 weight 0.10000E+01 volume 0.96951E-02 ppm1 2.116 ppm2 4.067 CV 1 OR { 4269} (( segid " " and resid 1805 and name HB3 )) (( segid " " and resid 1805 and name HA )) ASSI { 4270} (( segid " " and resid 1794 and name HB2 )) (( segid " " and resid 1794 and name HA )) 2.400 0.700 0.700 peak 4270 spectrum 1 weight 0.10000E+01 volume 0.82491E-02 ppm1 2.081 ppm2 4.073 CV 1 OR { 4270} (( segid " " and resid 1794 and name HB3 )) (( segid " " and resid 1794 and name HA )) ASSI { 4272} (( segid " " and resid 1794 and name HB2 )) (( segid " " and resid 1795 and name H )) 2.400 0.700 0.700 peak 4272 spectrum 1 weight 0.10000E+01 volume 0.46324E-02 ppm1 2.073 ppm2 8.024 CV 1 ASSI { 4273} (( segid " " and resid 1808 and name HG2 )) (( segid " " and resid 1808 and name H )) 2.700 0.900 0.900 peak 4273 spectrum 1 weight 0.10000E+01 volume 0.35454E-02 ppm1 2.418 ppm2 8.187 CV 1 OR { 4273} (( segid " " and resid 1808 and name HG3 )) (( segid " " and resid 1808 and name H )) ASSI { 4274} (( segid " " and resid 1808 and name HG2 )) (( segid " " and resid 1809 and name H )) 4.200 2.200 1.800 peak 4274 spectrum 1 weight 0.10000E+01 volume 0.65355E-03 ppm1 2.421 ppm2 8.412 CV 1 OR { 4274} (( segid " " and resid 1808 and name HG3 )) (( segid " " and resid 1809 and name H )) ASSI { 4275} (( segid " " and resid 1760 and name HA )) (( segid " " and resid 1764 and name H )) 3.500 1.500 1.500 peak 4275 spectrum 1 weight 0.10000E+01 volume 0.88384E-03 ppm1 4.242 ppm2 8.842 CV 1 ASSI { 4276} (( segid " " and resid 1801 and name HA )) (( segid " " and resid 1804 and name H )) 3.100 1.200 1.200 peak 4276 spectrum 1 weight 0.10000E+01 volume 0.16559E-02 ppm1 4.061 ppm2 8.524 CV 1 ASSI { 4278} (( segid " " and resid 1802 and name HG2 )) (( segid " " and resid 1803 and name H )) 4.800 2.900 1.200 peak 4278 spectrum 1 weight 0.10000E+01 volume 0.23365E-03 ppm1 2.812 ppm2 8.346 CV 1 ASSI { 4279} (( segid " " and resid 1803 and name HA )) ( segid " " and resid 1768 and name HD2%) 5.100 3.200 0.900 peak 4279 spectrum 1 weight 0.10000E+01 volume 0.48424E-03 ppm1 4.350 ppm2 0.906 CV 1 ASSI { 4280} (( segid " " and resid 1803 and name HG3 )) (( segid " " and resid 1775 and name HB2 )) 3.200 1.200 1.200 peak 4280 spectrum 1 weight 0.10000E+01 volume 0.55196E-03 ppm1 2.751 ppm2 1.360 CV 1 ASSI { 4281} (( segid " " and resid 1803 and name HG3 )) ( segid " " and resid 1772 and name HB% ) 3.900 1.900 1.900 peak 4281 spectrum 1 weight 0.10000E+01 volume 0.71447E-03 ppm1 2.751 ppm2 1.282 CV 1 ASSI { 4282} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1810 and name H )) 4.400 2.500 1.600 peak 4282 spectrum 1 weight 0.10000E+01 volume 0.33524E-03 ppm1 0.902 ppm2 7.518 CV 1 ASSI { 4283} (( segid " " and resid 1807 and name HA )) (( segid " " and resid 1808 and name HA )) 4.100 2.100 1.900 peak 4283 spectrum 1 weight 0.10000E+01 volume 0.47070E-03 ppm1 3.536 ppm2 4.016 CV 1 ASSI { 4284} (( segid " " and resid 1807 and name HB )) (( segid " " and resid 1710 and name HA )) 4.400 2.400 1.600 peak 4284 spectrum 1 weight 0.10000E+01 volume 0.72801E-03 ppm1 2.390 ppm2 4.051 CV 1 OR { 4284} (( segid " " and resid 1807 and name HB )) (( segid " " and resid 1710 and name HB3 )) ASSI { 4285} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1706 and name HA )) 4.100 2.100 1.900 peak 4285 spectrum 1 weight 0.10000E+01 volume 0.51810E-03 ppm1 0.906 ppm2 3.336 CV 1 ASSI { 4286} (( segid " " and resid 1715 and name HB2 )) (( segid " " and resid 1715 and name HG3 )) 2.600 0.800 0.800 peak 4286 spectrum 1 weight 0.10000E+01 volume 0.52115E-02 ppm1 2.395 ppm2 2.090 CV 1 ASSI { 4287} (( segid " " and resid 1803 and name HG2 )) ( segid " " and resid 1709 and name HG2%) 3.800 1.800 1.800 peak 4287 spectrum 1 weight 0.10000E+01 volume 0.85676E-03 ppm1 2.488 ppm2 0.809 CV 1 ASSI { 4289} (( segid " " and resid 1809 and name HB2 )) (( segid " " and resid 1810 and name HB2 )) 5.300 3.500 0.700 peak 4289 spectrum 1 weight 0.10000E+01 volume 0.30138E-03 ppm1 2.722 ppm2 1.507 CV 1 ASSI { 4290} (( segid " " and resid 1809 and name HB3 )) ( segid " " and resid 1806 and name HB% ) 4.500 2.500 1.500 peak 4290 spectrum 1 weight 0.10000E+01 volume 0.50794E-03 ppm1 2.613 ppm2 1.593 CV 1 ASSI { 4291} (( segid " " and resid 1809 and name HB3 )) (( segid " " and resid 1810 and name HB2 )) 4.200 2.200 1.800 peak 4291 spectrum 1 weight 0.10000E+01 volume 0.35556E-03 ppm1 2.608 ppm2 1.510 CV 1 ASSI { 4292} (( segid " " and resid 1809 and name HB2 )) (( segid " " and resid 1808 and name HB2 )) 3.700 1.700 1.700 peak 4292 spectrum 1 weight 0.10000E+01 volume 0.54857E-03 ppm1 2.719 ppm2 2.160 CV 1 ASSI { 4293} (( segid " " and resid 1811 and name HA )) (( segid " " and resid 1812 and name H )) 3.500 1.600 1.600 peak 4293 spectrum 1 weight 0.10000E+01 volume 0.64678E-03 ppm1 3.639 ppm2 8.206 CV 1 ASSI { 4294} ( segid " " and resid 1811 and name HG2%) (( segid " " and resid 1811 and name H )) 3.400 1.400 1.400 peak 4294 spectrum 1 weight 0.10000E+01 volume 0.33016E-02 ppm1 1.168 ppm2 8.477 CV 1 ASSI { 4296} ( segid " " and resid 1811 and name HG2%) (( segid " " and resid 1812 and name H )) 3.200 1.300 1.300 peak 4296 spectrum 1 weight 0.10000E+01 volume 0.17846E-02 ppm1 1.167 ppm2 8.203 CV 1 ASSI { 4297} ( segid " " and resid 1811 and name HG2%) (( segid " " and resid 1815 and name HD21)) 3.100 1.200 1.200 peak 4297 spectrum 1 weight 0.10000E+01 volume 0.37690E-02 ppm1 1.170 ppm2 7.474 CV 1 ASSI { 4299} ( segid " " and resid 1811 and name HG2%) (( segid " " and resid 1811 and name HB )) 2.200 0.600 0.600 peak 4299 spectrum 1 weight 0.10000E+01 volume 0.99353E-02 ppm1 1.169 ppm2 4.332 CV 1 ASSI { 4300} (( segid " " and resid 1811 and name HA )) (( segid " " and resid 1808 and name HA )) 4.200 2.200 1.800 peak 4300 spectrum 1 weight 0.10000E+01 volume 0.60615E-03 ppm1 3.637 ppm2 4.019 CV 1 ASSI { 4301} ( segid " " and resid 1811 and name HG2%) (( segid " " and resid 1808 and name HA )) 3.300 1.400 1.400 peak 4301 spectrum 1 weight 0.10000E+01 volume 0.21740E-02 ppm1 1.170 ppm2 4.013 CV 1 ASSI { 4302} ( segid " " and resid 1811 and name HG2%) (( segid " " and resid 1811 and name HA )) 2.300 0.600 0.600 peak 4302 spectrum 1 weight 0.10000E+01 volume 0.82927E-02 ppm1 1.170 ppm2 3.637 CV 1 ASSI { 4303} (( segid " " and resid 1811 and name HA )) (( segid " " and resid 1703 and name HB3 )) 5.200 3.400 0.800 peak 4303 spectrum 1 weight 0.10000E+01 volume 0.28783E-03 ppm1 3.632 ppm2 1.781 CV 1 ASSI { 4304} (( segid " " and resid 1811 and name HA )) (( segid " " and resid 1814 and name HB3 )) 4.300 2.300 1.700 peak 4304 spectrum 1 weight 0.10000E+01 volume 0.99897E-03 ppm1 3.639 ppm2 1.965 CV 1 ASSI { 4308} ( segid " " and resid 1811 and name HG2%) ( segid " " and resid 1703 and name HD2%) 2.300 0.700 0.700 peak 4308 spectrum 1 weight 0.10000E+01 volume 0.82457E-02 ppm1 1.170 ppm2 0.900 CV 1 ASSI { 4309} (( segid " " and resid 1811 and name HA )) ( segid " " and resid 1814 and name HD1%) 3.000 1.100 1.100 peak 4309 spectrum 1 weight 0.10000E+01 volume 0.98543E-03 ppm1 3.637 ppm2 0.752 CV 1 ASSI { 4310} (( segid " " and resid 1811 and name HB )) ( segid " " and resid 1814 and name HD1%) 5.100 3.300 0.900 peak 4310 spectrum 1 weight 0.10000E+01 volume 0.24720E-03 ppm1 4.330 ppm2 0.755 CV 1 ASSI { 4313} ( segid " " and resid 1650 and name HD1%) (( segid " " and resid 1650 and name HA )) 5.900 4.300 0.100 peak 4313 spectrum 1 weight 0.10000E+01 volume 0.77884E-04 ppm1 0.870 ppm2 4.234 CV 1 ASSI { 4316} (( segid " " and resid 1655 and name HA )) (( segid " " and resid 1656 and name HG3 )) 4.600 2.700 1.400 peak 4316 spectrum 1 weight 0.10000E+01 volume 0.75516E-03 ppm1 4.612 ppm2 2.137 CV 1 ASSI { 4317} (( segid " " and resid 1655 and name HA )) (( segid " " and resid 1656 and name HG2 )) 4.800 2.900 1.200 peak 4317 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 4.614 ppm2 2.062 CV 1 ASSI { 4318} (( segid " " and resid 1655 and name HA )) (( segid " " and resid 1656 and name HB3 )) 5.100 3.300 0.900 peak 4318 spectrum 1 weight 0.10000E+01 volume 0.52487E-03 ppm1 4.619 ppm2 2.335 CV 1 ASSI { 4319} (( segid " " and resid 1656 and name HA )) (( segid " " and resid 1658 and name H )) 3.900 1.900 1.900 peak 4319 spectrum 1 weight 0.10000E+01 volume 0.77884E-03 ppm1 4.439 ppm2 7.782 CV 1 ASSI { 4321} (( segid " " and resid 1656 and name HD2 )) (( segid " " and resid 1655 and name H )) 5.300 3.400 0.700 peak 4321 spectrum 1 weight 0.10000E+01 volume 0.38265E-03 ppm1 3.711 ppm2 8.152 CV 1 ASSI { 4323} (( segid " " and resid 1656 and name HA )) (( segid " " and resid 1657 and name HA3 )) 4.000 2.000 2.000 peak 4323 spectrum 1 weight 0.10000E+01 volume 0.90078E-03 ppm1 4.440 ppm2 4.115 CV 1 ASSI { 4324} (( segid " " and resid 1656 and name HA )) (( segid " " and resid 1656 and name HD2 )) 3.700 1.700 1.700 peak 4324 spectrum 1 weight 0.10000E+01 volume 0.98543E-03 ppm1 4.440 ppm2 3.700 CV 1 ASSI { 4325} (( segid " " and resid 1656 and name HA )) (( segid " " and resid 1657 and name HA2 )) 3.700 1.700 1.700 peak 4325 spectrum 1 weight 0.10000E+01 volume 0.89057E-03 ppm1 4.443 ppm2 3.663 CV 1 ASSI { 4326} (( segid " " and resid 1656 and name HA )) ( segid " " and resid 1655 and name HB% ) 4.200 2.200 1.800 peak 4326 spectrum 1 weight 0.10000E+01 volume 0.48762E-03 ppm1 4.434 ppm2 1.455 CV 1 ASSI { 4327} (( segid " " and resid 1656 and name HA )) ( segid " " and resid 1724 and name HB% ) 4.800 2.900 1.200 peak 4327 spectrum 1 weight 0.10000E+01 volume 0.49778E-03 ppm1 4.444 ppm2 1.596 CV 1 ASSI { 4328} (( segid " " and resid 1656 and name HD3 )) ( segid " " and resid 1724 and name HB% ) 4.800 2.800 1.200 peak 4328 spectrum 1 weight 0.10000E+01 volume 0.53842E-03 ppm1 3.908 ppm2 1.589 CV 1 ASSI { 4329} (( segid " " and resid 1657 and name HA3 )) (( segid " " and resid 1660 and name H )) 4.600 2.700 1.400 peak 4329 spectrum 1 weight 0.10000E+01 volume 0.40296E-03 ppm1 4.118 ppm2 9.689 CV 1 ASSI { 4331} (( segid " " and resid 1658 and name HG2 )) (( segid " " and resid 1658 and name HG3 )) 1.800 0.400 0.400 peak 4331 spectrum 1 weight 0.10000E+01 volume 0.14162E-01 ppm1 2.309 ppm2 2.446 CV 1 ASSI { 4332} (( segid " " and resid 1661 and name HB3 )) ( segid " " and resid 1731 and name HG2%) 4.400 2.400 1.600 peak 4332 spectrum 1 weight 0.10000E+01 volume 0.30815E-03 ppm1 2.478 ppm2 1.097 CV 1 ASSI { 4333} (( segid " " and resid 1661 and name HB2 )) ( segid " " and resid 1731 and name HG2%) 4.600 2.600 1.400 peak 4333 spectrum 1 weight 0.10000E+01 volume 0.27429E-03 ppm1 3.308 ppm2 1.085 CV 1 ASSI { 4334} (( segid " " and resid 1661 and name HB2 )) ( segid " " and resid 1731 and name HG1%) 5.300 3.500 0.700 peak 4334 spectrum 1 weight 0.10000E+01 volume 0.30477E-03 ppm1 3.300 ppm2 0.945 CV 1 ASSI { 4335} (( segid " " and resid 1661 and name HB3 )) ( segid " " and resid 1731 and name HG1%) 5.200 3.400 0.800 peak 4335 spectrum 1 weight 0.10000E+01 volume 0.26074E-03 ppm1 2.471 ppm2 0.942 CV 1 ASSI { 4336} (( segid " " and resid 1661 and name HB3 )) ( segid " " and resid 1727 and name HD1%) 4.500 2.500 1.500 peak 4336 spectrum 1 weight 0.10000E+01 volume 0.30477E-03 ppm1 2.466 ppm2 0.817 CV 1 ASSI { 4338} (( segid " " and resid 1661 and name HA )) (( segid " " and resid 1665 and name HG13)) 4.000 2.000 2.000 peak 4338 spectrum 1 weight 0.10000E+01 volume 0.29461E-03 ppm1 4.124 ppm2 0.598 CV 1 ASSI { 4341} (( segid " " and resid 1661 and name HA )) (( segid " " and resid 1780 and name HB3 )) 5.500 3.800 0.500 peak 4341 spectrum 1 weight 0.10000E+01 volume 0.43683E-03 ppm1 4.125 ppm2 1.942 CV 1 ASSI { 4343} (( segid " " and resid 1661 and name HB2 )) (( segid " " and resid 1780 and name HB3 )) 5.700 4.000 0.300 peak 4343 spectrum 1 weight 0.10000E+01 volume 0.39281E-03 ppm1 3.303 ppm2 1.941 CV 1 ASSI { 4344} (( segid " " and resid 1661 and name HB2 )) (( segid " " and resid 1780 and name HB2 )) 4.900 3.000 1.100 peak 4344 spectrum 1 weight 0.10000E+01 volume 0.27429E-03 ppm1 3.312 ppm2 2.081 CV 1 ASSI { 4345} (( segid " " and resid 1661 and name HA )) (( segid " " and resid 1731 and name HB )) 5.100 3.200 0.900 peak 4345 spectrum 1 weight 0.10000E+01 volume 0.30815E-03 ppm1 4.131 ppm2 2.166 CV 1 ASSI { 4346} (( segid " " and resid 1661 and name HB3 )) (( segid " " and resid 1780 and name HE3 )) 5.600 3.900 0.400 peak 4346 spectrum 1 weight 0.10000E+01 volume 0.18625E-03 ppm1 2.483 ppm2 2.999 CV 1 ASSI { 4347} (( segid " " and resid 1661 and name HB2 )) (( segid " " and resid 1780 and name HE3 )) 5.100 3.200 0.900 peak 4347 spectrum 1 weight 0.10000E+01 volume 0.34879E-03 ppm1 3.298 ppm2 3.002 CV 1 ASSI { 4348} (( segid " " and resid 1661 and name HB3 )) (( segid " " and resid 1780 and name HA )) 3.300 1.400 1.400 peak 4348 spectrum 1 weight 0.10000E+01 volume 0.64678E-03 ppm1 2.468 ppm2 3.971 CV 1 ASSI { 4350} (( segid " " and resid 1661 and name HB3 )) (( segid " " and resid 1780 and name H )) 4.600 2.600 1.400 peak 4350 spectrum 1 weight 0.10000E+01 volume 0.34879E-03 ppm1 2.467 ppm2 8.408 CV 1 ASSI { 4351} (( segid " " and resid 1661 and name HA )) (( segid " " and resid 1665 and name H )) 4.100 2.100 1.900 peak 4351 spectrum 1 weight 0.10000E+01 volume 0.28106E-03 ppm1 4.123 ppm2 8.434 CV 1 ASSI { 4352} (( segid " " and resid 1663 and name HA )) ( segid " " and resid 1664 and name HB% ) 4.700 2.800 1.300 peak 4352 spectrum 1 weight 0.10000E+01 volume 0.36910E-03 ppm1 3.981 ppm2 1.436 CV 1 ASSI { 4353} (( segid " " and resid 1663 and name HB )) ( segid " " and resid 1664 and name HB% ) 4.200 2.200 1.800 peak 4353 spectrum 1 weight 0.10000E+01 volume 0.62985E-03 ppm1 4.224 ppm2 1.431 CV 1 ASSI { 4354} (( segid " " and resid 1665 and name HB )) ( segid " " and resid 1664 and name HB% ) 4.900 3.000 1.100 peak 4354 spectrum 1 weight 0.10000E+01 volume 0.35894E-03 ppm1 1.805 ppm2 1.422 CV 1 ASSI { 4355} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1776 and name HB2 )) 4.300 2.300 1.700 peak 4355 spectrum 1 weight 0.10000E+01 volume 0.41990E-03 ppm1 3.391 ppm2 1.960 CV 1 OR { 4355} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1776 and name HG )) ASSI { 4356} (( segid " " and resid 1666 and name HA )) (( segid " " and resid 1669 and name HD21)) 3.600 1.600 1.600 peak 4356 spectrum 1 weight 0.10000E+01 volume 0.10295E-02 ppm1 4.244 ppm2 6.601 CV 1 ASSI { 4357} ( segid " " and resid 1667 and name HB% ) (( segid " " and resid 1664 and name HA )) 2.400 0.700 0.700 peak 4357 spectrum 1 weight 0.10000E+01 volume 0.79715E-02 ppm1 1.640 ppm2 4.126 CV 1 ASSI { 4359} ( segid " " and resid 1668 and name HD1%) ( segid " " and resid 1803 and name HE% ) 4.100 2.100 1.900 peak 4359 spectrum 1 weight 0.10000E+01 volume 0.98543E-03 ppm1 0.227 ppm2 2.060 CV 1 ASSI { 4360} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1776 and name HG )) 4.100 2.100 1.900 peak 4360 spectrum 1 weight 0.10000E+01 volume 0.95835E-03 ppm1 0.222 ppm2 1.962 CV 1 OR { 4360} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1776 and name HB2 )) ASSI { 4361} (( segid " " and resid 1668 and name HA )) ( segid " " and resid 1667 and name HB% ) 3.400 1.400 1.400 peak 4361 spectrum 1 weight 0.10000E+01 volume 0.12597E-02 ppm1 3.877 ppm2 1.637 CV 1 ASSI { 4362} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1671 and name HB3 )) 3.300 1.400 1.400 peak 4362 spectrum 1 weight 0.10000E+01 volume 0.12766E-02 ppm1 0.219 ppm2 3.236 CV 1 OR { 4362} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1671 and name HB2 )) ASSI { 4363} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1738 and name HZ )) 4.200 2.200 1.800 peak 4363 spectrum 1 weight 0.10000E+01 volume 0.54519E-03 ppm1 0.231 ppm2 6.986 CV 1 ASSI { 4364} (( segid " " and resid 1677 and name HA )) (( segid " " and resid 1677 and name H )) 2.500 0.800 0.800 peak 4364 spectrum 1 weight 0.10000E+01 volume 0.50726E-02 ppm1 4.064 ppm2 8.256 CV 1 ASSI { 4365} (( segid " " and resid 1677 and name HB3 )) (( segid " " and resid 1677 and name HA )) 2.500 0.800 0.800 peak 4365 spectrum 1 weight 0.10000E+01 volume 0.47983E-02 ppm1 2.207 ppm2 4.066 CV 1 ASSI { 4367} (( segid " " and resid 1678 and name HA )) ( segid " " and resid 1762 and name HD2%) 4.600 2.700 1.400 peak 4367 spectrum 1 weight 0.10000E+01 volume 0.44699E-03 ppm1 4.286 ppm2 0.768 CV 1 OR { 4367} (( segid " " and resid 1678 and name HA )) ( segid " " and resid 1762 and name HD1%) ASSI { 4368} (( segid " " and resid 1686 and name HB3 )) (( segid " " and resid 1687 and name H )) 4.300 2.300 1.700 peak 4368 spectrum 1 weight 0.10000E+01 volume 0.59260E-03 ppm1 2.375 ppm2 7.999 CV 1 ASSI { 4369} (( segid " " and resid 1769 and name HA )) (( segid " " and resid 1768 and name H )) 4.500 2.500 1.500 peak 4369 spectrum 1 weight 0.10000E+01 volume 0.48085E-03 ppm1 3.855 ppm2 7.752 CV 1 ASSI { 4370} ( segid " " and resid 1769 and name HB% ) (( segid " " and resid 1768 and name H )) 4.600 2.700 1.400 peak 4370 spectrum 1 weight 0.10000E+01 volume 0.43006E-03 ppm1 1.335 ppm2 7.738 CV 1 ASSI { 4372} (( segid " " and resid 1708 and name HB2 )) (( segid " " and resid 1708 and name H )) 3.000 1.100 1.100 peak 4372 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 0.948 ppm2 7.750 CV 1 ASSI { 4373} (( segid " " and resid 1708 and name HG2 )) (( segid " " and resid 1708 and name H )) 2.700 0.900 0.900 peak 4373 spectrum 1 weight 0.10000E+01 volume 0.26345E-02 ppm1 2.293 ppm2 7.750 CV 1 ASSI { 4374} (( segid " " and resid 1708 and name HG3 )) (( segid " " and resid 1708 and name H )) 3.600 1.600 1.600 peak 4374 spectrum 1 weight 0.10000E+01 volume 0.18557E-02 ppm1 2.029 ppm2 7.750 CV 1 ASSI { 4375} (( segid " " and resid 1708 and name HG3 )) (( segid " " and resid 1709 and name H )) 4.800 2.900 1.200 peak 4375 spectrum 1 weight 0.10000E+01 volume 0.41990E-03 ppm1 2.025 ppm2 8.032 CV 1 ASSI { 4376} (( segid " " and resid 1708 and name HG2 )) (( segid " " and resid 1709 and name H )) 4.400 2.400 1.600 peak 4376 spectrum 1 weight 0.10000E+01 volume 0.54857E-03 ppm1 2.290 ppm2 8.030 CV 1 ASSI { 4377} (( segid " " and resid 1708 and name HB2 )) (( segid " " and resid 1709 and name H )) 3.100 1.200 1.200 peak 4377 spectrum 1 weight 0.10000E+01 volume 0.64339E-03 ppm1 0.944 ppm2 8.027 CV 1 ASSI { 4379} (( segid " " and resid 1708 and name HA )) (( segid " " and resid 1711 and name H )) 3.300 1.400 1.400 peak 4379 spectrum 1 weight 0.10000E+01 volume 0.12834E-02 ppm1 3.936 ppm2 7.634 CV 1 ASSI { 4381} (( segid " " and resid 1708 and name HB2 )) ( segid " " and resid 1737 and name HE% ) 4.200 2.200 1.800 peak 4381 spectrum 1 weight 0.10000E+01 volume 0.46731E-03 ppm1 0.963 ppm2 6.762 CV 1 ASSI { 4382} (( segid " " and resid 1708 and name HG2 )) ( segid " " and resid 1737 and name HE% ) 4.800 2.800 1.200 peak 4382 spectrum 1 weight 0.10000E+01 volume 0.41312E-03 ppm1 2.306 ppm2 6.765 CV 1 ASSI { 4383} (( segid " " and resid 1708 and name HG3 )) ( segid " " and resid 1737 and name HE% ) 3.300 1.300 1.300 peak 4383 spectrum 1 weight 0.10000E+01 volume 0.10735E-02 ppm1 2.028 ppm2 6.756 CV 1 ASSI { 4384} (( segid " " and resid 1708 and name HB3 )) (( segid " " and resid 1708 and name HA )) 2.800 1.000 1.000 peak 4384 spectrum 1 weight 0.10000E+01 volume 0.19776E-02 ppm1 1.197 ppm2 3.938 CV 1 ASSI { 4385} (( segid " " and resid 1708 and name HG2 )) (( segid " " and resid 1708 and name HA )) 2.900 1.100 1.100 peak 4385 spectrum 1 weight 0.10000E+01 volume 0.21299E-02 ppm1 2.292 ppm2 3.938 CV 1 ASSI { 4387} (( segid " " and resid 1708 and name HG3 )) (( segid " " and resid 1708 and name HG2 )) 1.900 0.500 0.500 peak 4387 spectrum 1 weight 0.10000E+01 volume 0.11063E-01 ppm1 2.027 ppm2 2.294 CV 1 ASSI { 4393} (( segid " " and resid 1708 and name HG2 )) ( segid " " and resid 1704 and name HG2%) 3.200 1.300 1.300 peak 4393 spectrum 1 weight 0.10000E+01 volume 0.13884E-02 ppm1 2.299 ppm2 1.280 CV 1 ASSI { 4394} (( segid " " and resid 1708 and name HG2 )) (( segid " " and resid 1708 and name HB3 )) 3.300 1.300 1.300 peak 4394 spectrum 1 weight 0.10000E+01 volume 0.18387E-02 ppm1 2.295 ppm2 1.194 CV 1 ASSI { 4395} (( segid " " and resid 1708 and name HG3 )) ( segid " " and resid 1704 and name HG2%) 3.100 1.200 1.200 peak 4395 spectrum 1 weight 0.10000E+01 volume 0.16457E-02 ppm1 2.030 ppm2 1.281 CV 1 ASSI { 4396} (( segid " " and resid 1708 and name HG3 )) (( segid " " and resid 1708 and name HB3 )) 2.800 1.000 1.000 peak 4396 spectrum 1 weight 0.10000E+01 volume 0.27869E-02 ppm1 2.028 ppm2 1.196 CV 1 ASSI { 4397} (( segid " " and resid 1708 and name HB2 )) (( segid " " and resid 1708 and name HB3 )) 2.200 0.600 0.600 peak 4397 spectrum 1 weight 0.10000E+01 volume 0.38163E-02 ppm1 0.949 ppm2 1.195 CV 1 ASSI { 4398} (( segid " " and resid 1708 and name HG3 )) (( segid " " and resid 1708 and name HB2 )) 2.700 0.900 0.900 peak 4398 spectrum 1 weight 0.10000E+01 volume 0.29088E-02 ppm1 2.029 ppm2 0.949 CV 1 ASSI { 4399} (( segid " " and resid 1708 and name HG2 )) (( segid " " and resid 1708 and name HB2 )) 2.900 1.000 1.000 peak 4399 spectrum 1 weight 0.10000E+01 volume 0.22214E-02 ppm1 2.294 ppm2 0.950 CV 1 ASSI { 4401} (( segid " " and resid 1770 and name HG2 )) (( segid " " and resid 1770 and name H )) 3.400 1.400 1.400 peak 4401 spectrum 1 weight 0.10000E+01 volume 0.27937E-02 ppm1 2.557 ppm2 9.245 CV 1 ASSI { 4402} (( segid " " and resid 1770 and name HG3 )) (( segid " " and resid 1770 and name H )) 2.800 0.900 0.900 peak 4402 spectrum 1 weight 0.10000E+01 volume 0.18827E-02 ppm1 2.219 ppm2 9.245 CV 1 ASSI { 4403} (( segid " " and resid 1770 and name HG3 )) (( segid " " and resid 1771 and name H )) 4.500 2.500 1.500 peak 4403 spectrum 1 weight 0.10000E+01 volume 0.58921E-03 ppm1 2.223 ppm2 8.536 CV 1 ASSI { 4406} (( segid " " and resid 1770 and name HG3 )) (( segid " " and resid 1767 and name HA )) 3.500 1.500 1.500 peak 4406 spectrum 1 weight 0.10000E+01 volume 0.61292E-03 ppm1 2.214 ppm2 4.072 CV 1 ASSI { 4407} (( segid " " and resid 1770 and name HG3 )) (( segid " " and resid 1770 and name HA )) 2.900 1.000 1.000 peak 4407 spectrum 1 weight 0.10000E+01 volume 0.43513E-02 ppm1 2.224 ppm2 3.961 CV 1 ASSI { 4408} (( segid " " and resid 1770 and name HG3 )) (( segid " " and resid 1770 and name HG2 )) 1.800 0.400 0.400 peak 4408 spectrum 1 weight 0.10000E+01 volume 0.13474E-01 ppm1 2.216 ppm2 2.556 CV 1 ASSI { 4410} (( segid " " and resid 1770 and name HG2 )) (( segid " " and resid 1770 and name HB3 )) 2.500 0.800 0.800 peak 4410 spectrum 1 weight 0.10000E+01 volume 0.37147E-02 ppm1 2.560 ppm2 2.060 CV 1 ASSI { 4411} (( segid " " and resid 1770 and name HG3 )) (( segid " " and resid 1770 and name HB3 )) 2.900 1.000 1.000 peak 4411 spectrum 1 weight 0.10000E+01 volume 0.47679E-02 ppm1 2.220 ppm2 2.060 CV 1 ASSI { 4413} (( segid " " and resid 1770 and name HG3 )) (( segid " " and resid 1766 and name HG2 )) 3.100 1.200 1.200 peak 4413 spectrum 1 weight 0.10000E+01 volume 0.70093E-03 ppm1 2.214 ppm2 1.357 CV 1 ASSI { 4414} (( segid " " and resid 1770 and name HG3 )) ( segid " " and resid 1672 and name HD1%) 2.800 1.000 1.000 peak 4414 spectrum 1 weight 0.10000E+01 volume 0.19302E-02 ppm1 2.219 ppm2 0.990 CV 1 ASSI { 4418} (( segid " " and resid 1770 and name HG2 )) ( segid " " and resid 1773 and name HD2%) 4.100 2.100 1.900 peak 4418 spectrum 1 weight 0.10000E+01 volume 0.41990E-03 ppm1 2.561 ppm2 0.826 CV 1 ASSI { 4419} (( segid " " and resid 1770 and name HB2 )) ( segid " " and resid 1672 and name HD1%) 4.900 3.000 1.100 peak 4419 spectrum 1 weight 0.10000E+01 volume 0.48424E-03 ppm1 2.281 ppm2 0.992 CV 1 ASSI { 4420} (( segid " " and resid 1770 and name HG3 )) ( segid " " and resid 1773 and name HD2%) 4.600 2.600 1.400 peak 4420 spectrum 1 weight 0.10000E+01 volume 0.54519E-03 ppm1 2.216 ppm2 0.833 CV 1 ASSI { 4421} (( segid " " and resid 1763 and name HA )) (( segid " " and resid 1766 and name HA )) 4.400 2.400 1.600 peak 4421 spectrum 1 weight 0.10000E+01 volume 0.59599E-03 ppm1 4.420 ppm2 3.854 CV 1 ASSI { 4422} (( segid " " and resid 1763 and name HA )) (( segid " " and resid 1762 and name HA )) 3.900 1.900 1.900 peak 4422 spectrum 1 weight 0.10000E+01 volume 0.45376E-03 ppm1 4.423 ppm2 3.970 CV 1 ASSI { 4423} (( segid " " and resid 1763 and name HA )) (( segid " " and resid 1766 and name HG2 )) 4.300 2.300 1.700 peak 4423 spectrum 1 weight 0.10000E+01 volume 0.78565E-03 ppm1 4.423 ppm2 1.378 CV 1 ASSI { 4425} (( segid " " and resid 1764 and name HG2 )) (( segid " " and resid 1764 and name HB3 )) 2.800 1.000 1.000 peak 4425 spectrum 1 weight 0.10000E+01 volume 0.17236E-02 ppm1 2.795 ppm2 2.252 CV 1 ASSI { 4426} (( segid " " and resid 1764 and name HG2 )) (( segid " " and resid 1764 and name HB2 )) 3.300 1.400 1.400 peak 4426 spectrum 1 weight 0.10000E+01 volume 0.17134E-02 ppm1 2.794 ppm2 2.117 CV 1 ASSI { 4427} (( segid " " and resid 1764 and name HG2 )) (( segid " " and resid 1764 and name HG3 )) 2.000 0.500 0.500 peak 4427 spectrum 1 weight 0.10000E+01 volume 0.81409E-02 ppm1 2.795 ppm2 2.475 CV 1 ASSI { 4428} (( segid " " and resid 1764 and name HG3 )) (( segid " " and resid 1764 and name HB2 )) 2.700 0.900 0.900 peak 4428 spectrum 1 weight 0.10000E+01 volume 0.20182E-02 ppm1 2.471 ppm2 2.114 CV 1 ASSI { 4431} (( segid " " and resid 1757 and name HB3 )) ( segid " " and resid 1752 and name HG2%) 2.900 1.000 1.000 peak 4431 spectrum 1 weight 0.10000E+01 volume 0.25194E-02 ppm1 2.134 ppm2 1.334 CV 1 OR { 4431} (( segid " " and resid 1757 and name HB2 )) ( segid " " and resid 1752 and name HG2%) ASSI { 4432} (( segid " " and resid 1764 and name HG2 )) ( segid " " and resid 1760 and name HB% ) 4.200 2.200 1.800 peak 4432 spectrum 1 weight 0.10000E+01 volume 0.75850E-03 ppm1 2.797 ppm2 1.456 CV 1 ASSI { 4434} (( segid " " and resid 1764 and name HA )) ( segid " " and resid 1810 and name HD1%) 4.500 2.600 1.500 peak 4434 spectrum 1 weight 0.10000E+01 volume 0.47408E-03 ppm1 4.189 ppm2 0.974 CV 1 ASSI { 4435} (( segid " " and resid 1764 and name HA )) (( segid " " and resid 1764 and name HB3 )) 2.800 1.000 1.000 peak 4435 spectrum 1 weight 0.10000E+01 volume 0.18895E-02 ppm1 4.189 ppm2 2.251 CV 1 ASSI { 4436} (( segid " " and resid 1764 and name HA )) (( segid " " and resid 1764 and name HG2 )) 2.800 1.000 1.000 peak 4436 spectrum 1 weight 0.10000E+01 volume 0.23230E-02 ppm1 4.188 ppm2 2.798 CV 1 ASSI { 4437} (( segid " " and resid 1764 and name HA )) (( segid " " and resid 1764 and name HG3 )) 2.900 1.100 1.100 peak 4437 spectrum 1 weight 0.10000E+01 volume 0.34540E-02 ppm1 4.186 ppm2 2.474 CV 1 ASSI { 4439} (( segid " " and resid 1764 and name HG2 )) (( segid " " and resid 1810 and name HA )) 4.800 2.900 1.200 peak 4439 spectrum 1 weight 0.10000E+01 volume 0.40296E-03 ppm1 2.803 ppm2 4.411 CV 1 ASSI { 4442} (( segid " " and resid 1764 and name HG3 )) (( segid " " and resid 1810 and name HA )) 5.000 3.200 1.000 peak 4442 spectrum 1 weight 0.10000E+01 volume 0.38603E-03 ppm1 2.474 ppm2 4.400 CV 1 ASSI { 4443} (( segid " " and resid 1764 and name HG3 )) (( segid " " and resid 1764 and name HE22)) 4.000 2.000 2.000 peak 4443 spectrum 1 weight 0.10000E+01 volume 0.80252E-03 ppm1 2.477 ppm2 6.335 CV 1 ASSI { 4444} (( segid " " and resid 1764 and name HG2 )) (( segid " " and resid 1764 and name HE22)) 4.000 2.000 2.000 peak 4444 spectrum 1 weight 0.10000E+01 volume 0.75850E-03 ppm1 2.798 ppm2 6.330 CV 1 ASSI { 4445} (( segid " " and resid 1764 and name HG2 )) (( segid " " and resid 1764 and name HE21)) 3.200 1.300 1.300 peak 4445 spectrum 1 weight 0.10000E+01 volume 0.98543E-03 ppm1 2.792 ppm2 7.214 CV 1 ASSI { 4446} (( segid " " and resid 1764 and name HG3 )) (( segid " " and resid 1764 and name HE21)) 3.500 1.500 1.500 peak 4446 spectrum 1 weight 0.10000E+01 volume 0.91766E-03 ppm1 2.484 ppm2 7.208 CV 1 ASSI { 4447} (( segid " " and resid 1764 and name HG3 )) (( segid " " and resid 1765 and name H )) 5.100 3.200 0.900 peak 4447 spectrum 1 weight 0.10000E+01 volume 0.26413E-03 ppm1 2.479 ppm2 7.905 CV 1 ASSI { 4449} (( segid " " and resid 1764 and name HA )) (( segid " " and resid 1765 and name H )) 3.600 1.600 1.600 peak 4449 spectrum 1 weight 0.10000E+01 volume 0.70433E-03 ppm1 4.184 ppm2 7.907 CV 1 ASSI { 4450} (( segid " " and resid 1764 and name HG2 )) (( segid " " and resid 1764 and name H )) 3.600 1.700 1.700 peak 4450 spectrum 1 weight 0.10000E+01 volume 0.23399E-02 ppm1 2.793 ppm2 8.844 CV 1 ASSI { 4451} (( segid " " and resid 1764 and name HG3 )) (( segid " " and resid 1764 and name H )) 2.800 1.000 1.000 peak 4451 spectrum 1 weight 0.10000E+01 volume 0.17778E-02 ppm1 2.471 ppm2 8.841 CV 1 ASSI { 4453} (( segid " " and resid 1702 and name HB3 )) ( segid " " and resid 1814 and name HD1%) 3.000 1.100 1.100 peak 4453 spectrum 1 weight 0.10000E+01 volume 0.83641E-03 ppm1 1.963 ppm2 0.748 CV 1 ASSI { 4454} (( segid " " and resid 1702 and name HB3 )) ( segid " " and resid 1814 and name HD2%) 3.600 1.700 1.700 peak 4454 spectrum 1 weight 0.10000E+01 volume 0.75850E-03 ppm1 1.967 ppm2 0.830 CV 1 ASSI { 4456} (( segid " " and resid 1702 and name HG2 )) ( segid " " and resid 1814 and name HD2%) 4.300 2.300 1.700 peak 4456 spectrum 1 weight 0.10000E+01 volume 0.62646E-03 ppm1 2.888 ppm2 0.829 CV 1 ASSI { 4457} (( segid " " and resid 1702 and name HG2 )) ( segid " " and resid 1814 and name HD1%) 4.900 3.000 1.100 peak 4457 spectrum 1 weight 0.10000E+01 volume 0.46731E-03 ppm1 2.888 ppm2 0.752 CV 1 ASSI { 4458} (( segid " " and resid 1702 and name HG2 )) ( segid " " and resid 1741 and name HD2%) 3.200 1.300 1.300 peak 4458 spectrum 1 weight 0.10000E+01 volume 0.12665E-02 ppm1 2.894 ppm2 0.990 CV 1 ASSI { 4460} (( segid " " and resid 1702 and name HB3 )) ( segid " " and resid 1744 and name HB% ) 4.000 2.000 2.000 peak 4460 spectrum 1 weight 0.10000E+01 volume 0.11547E-02 ppm1 1.964 ppm2 1.569 CV 1 ASSI { 4461} (( segid " " and resid 1702 and name HG3 )) ( segid " " and resid 1748 and name HB% ) 3.400 1.400 1.400 peak 4461 spectrum 1 weight 0.10000E+01 volume 0.11513E-02 ppm1 2.333 ppm2 1.441 CV 1 ASSI { 4462} (( segid " " and resid 1702 and name HG2 )) (( segid " " and resid 1702 and name HB3 )) 2.700 0.900 0.900 peak 4462 spectrum 1 weight 0.10000E+01 volume 0.27090E-02 ppm1 2.890 ppm2 1.975 CV 1 ASSI { 4464} (( segid " " and resid 1702 and name HB3 )) (( segid " " and resid 1702 and name HB2 )) 2.000 0.500 0.500 peak 4464 spectrum 1 weight 0.10000E+01 volume 0.48797E-02 ppm1 1.964 ppm2 2.334 CV 1 OR { 4464} (( segid " " and resid 1702 and name HB3 )) (( segid " " and resid 1702 and name HG3 )) ASSI { 4467} (( segid " " and resid 1702 and name HB3 )) (( segid " " and resid 1702 and name HA )) 2.800 1.000 1.000 peak 4467 spectrum 1 weight 0.10000E+01 volume 0.13884E-02 ppm1 1.965 ppm2 3.858 CV 1 ASSI { 4468} (( segid " " and resid 1702 and name HB3 )) (( segid " " and resid 1699 and name HA )) 4.700 2.700 1.300 peak 4468 spectrum 1 weight 0.10000E+01 volume 0.47070E-03 ppm1 1.964 ppm2 4.213 CV 1 ASSI { 4469} (( segid " " and resid 1702 and name HG2 )) (( segid " " and resid 1744 and name HA )) 4.600 2.600 1.400 peak 4469 spectrum 1 weight 0.10000E+01 volume 0.59599E-03 ppm1 2.897 ppm2 4.214 CV 1 ASSI { 4470} (( segid " " and resid 1702 and name HB3 )) (( segid " " and resid 1703 and name H )) 4.100 2.100 1.900 peak 4470 spectrum 1 weight 0.10000E+01 volume 0.60276E-03 ppm1 1.960 ppm2 8.478 CV 1 ASSI { 4472} (( segid " " and resid 1702 and name HG2 )) (( segid " " and resid 1703 and name H )) 4.600 2.700 1.400 peak 4472 spectrum 1 weight 0.10000E+01 volume 0.53164E-03 ppm1 2.884 ppm2 8.483 CV 1 ASSI { 4474} (( segid " " and resid 1730 and name HA )) (( segid " " and resid 1730 and name HE3 )) 5.100 3.300 0.900 peak 4474 spectrum 1 weight 0.10000E+01 volume 0.33863E-03 ppm1 4.159 ppm2 3.036 CV 1 ASSI { 4475} (( segid " " and resid 1730 and name HD3 )) (( segid " " and resid 1730 and name HE2 )) 2.800 1.000 1.000 peak 4475 spectrum 1 weight 0.10000E+01 volume 0.15137E-02 ppm1 1.706 ppm2 2.943 CV 1 ASSI { 4476} (( segid " " and resid 1730 and name HD3 )) (( segid " " and resid 1730 and name HE3 )) 3.200 1.200 1.200 peak 4476 spectrum 1 weight 0.10000E+01 volume 0.10565E-02 ppm1 1.713 ppm2 3.045 CV 1 ASSI { 4477} (( segid " " and resid 1730 and name HD2 )) (( segid " " and resid 1730 and name HE2 )) 3.200 1.300 1.300 peak 4477 spectrum 1 weight 0.10000E+01 volume 0.95154E-03 ppm1 1.496 ppm2 2.945 CV 1 ASSI { 4478} (( segid " " and resid 1730 and name HD2 )) (( segid " " and resid 1730 and name HE3 )) 3.300 1.400 1.400 peak 4478 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 1.484 ppm2 3.044 CV 1 ASSI { 4479} (( segid " " and resid 1730 and name HE2 )) (( segid " " and resid 1730 and name HE3 )) 1.600 0.300 0.600 peak 4479 spectrum 1 weight 0.10000E+01 volume 0.21537E-01 ppm1 2.942 ppm2 3.044 CV 1 ASSI { 4481} (( segid " " and resid 1730 and name HG2 )) (( segid " " and resid 1730 and name HE3 )) 3.300 1.300 1.300 peak 4481 spectrum 1 weight 0.10000E+01 volume 0.56212E-03 ppm1 1.755 ppm2 3.045 CV 1 ASSI { 4482} (( segid " " and resid 1730 and name HG2 )) (( segid " " and resid 1730 and name HE2 )) 3.700 1.700 1.700 peak 4482 spectrum 1 weight 0.10000E+01 volume 0.98203E-03 ppm1 1.751 ppm2 2.944 CV 1 ASSI { 4483} (( segid " " and resid 1730 and name HG3 )) (( segid " " and resid 1730 and name HE2 )) 4.000 2.000 2.000 peak 4483 spectrum 1 weight 0.10000E+01 volume 0.63323E-03 ppm1 1.446 ppm2 2.936 CV 1 ASSI { 4484} (( segid " " and resid 1730 and name HA )) (( segid " " and resid 1716 and name HA )) 5.200 3.400 0.800 peak 4484 spectrum 1 weight 0.10000E+01 volume 0.39619E-03 ppm1 4.158 ppm2 3.866 CV 1 ASSI { 4485} (( segid " " and resid 1730 and name HB2 )) (( segid " " and resid 1730 and name HE3 )) 6.000 4.800 0.000 peak 4485 spectrum 1 weight 0.10000E+01 volume 0.88044E-04 ppm1 2.056 ppm2 3.062 CV 1 ASSI { 4486} (( segid " " and resid 1730 and name HD3 )) (( segid " " and resid 1730 and name HB2 )) 3.600 1.600 1.600 peak 4486 spectrum 1 weight 0.10000E+01 volume 0.15035E-02 ppm1 1.712 ppm2 2.070 CV 1 ASSI { 4487} (( segid " " and resid 1730 and name HD2 )) (( segid " " and resid 1730 and name HB2 )) 3.600 1.600 1.600 peak 4487 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 1.489 ppm2 2.062 CV 1 ASSI { 4488} (( segid " " and resid 1730 and name HD2 )) (( segid " " and resid 1730 and name HD3 )) 1.900 0.400 0.400 peak 4488 spectrum 1 weight 0.10000E+01 volume 0.75918E-02 ppm1 1.487 ppm2 1.713 CV 1 ASSI { 4489} (( segid " " and resid 1730 and name HE2 )) (( segid " " and resid 1726 and name HB2 )) 3.500 1.500 1.500 peak 4489 spectrum 1 weight 0.10000E+01 volume 0.22519E-02 ppm1 2.940 ppm2 2.364 CV 1 OR { 4489} (( segid " " and resid 1730 and name HE2 )) (( segid " " and resid 1726 and name HG2 )) ASSI { 4495} (( segid " " and resid 1730 and name HG2 )) (( segid " " and resid 1730 and name HG3 )) 1.700 0.400 0.500 peak 4495 spectrum 1 weight 0.10000E+01 volume 0.81069E-02 ppm1 1.750 ppm2 1.458 CV 1 ASSI { 4496} (( segid " " and resid 1730 and name HG2 )) (( segid " " and resid 1727 and name HA )) 2.900 1.000 1.000 peak 4496 spectrum 1 weight 0.10000E+01 volume 0.79579E-03 ppm1 1.761 ppm2 3.862 CV 1 ASSI { 4498} (( segid " " and resid 1730 and name HG3 )) (( segid " " and resid 1730 and name HA )) 4.000 2.000 2.000 peak 4498 spectrum 1 weight 0.10000E+01 volume 0.95154E-03 ppm1 1.462 ppm2 4.158 CV 1 ASSI { 4499} (( segid " " and resid 1730 and name HG2 )) (( segid " " and resid 1730 and name HA )) 3.400 1.400 1.400 peak 4499 spectrum 1 weight 0.10000E+01 volume 0.14493E-02 ppm1 1.753 ppm2 4.156 CV 1 ASSI { 4500} (( segid " " and resid 1730 and name HD2 )) (( segid " " and resid 1730 and name HA )) 3.200 1.300 1.300 peak 4500 spectrum 1 weight 0.10000E+01 volume 0.13410E-02 ppm1 1.488 ppm2 4.155 CV 1 ASSI { 4501} (( segid " " and resid 1730 and name HE2 )) (( segid " " and resid 1730 and name HA )) 3.000 3.000 3.000 peak 4501 spectrum 1 weight 0.10000E+01 volume 0.85335E-03 ppm1 2.941 ppm2 4.147 CV 1 ASSI { 4503} (( segid " " and resid 1730 and name HD3 )) (( segid " " and resid 1730 and name HA )) 2.600 0.800 0.800 peak 4503 spectrum 1 weight 0.10000E+01 volume 0.34811E-02 ppm1 1.713 ppm2 4.154 CV 1 ASSI { 4504} (( segid " " and resid 1730 and name HB2 )) (( segid " " and resid 1730 and name HA )) 3.300 1.400 1.400 peak 4504 spectrum 1 weight 0.10000E+01 volume 0.12529E-02 ppm1 2.064 ppm2 4.156 CV 1 ASSI { 4506} (( segid " " and resid 1730 and name HG2 )) (( segid " " and resid 1730 and name H )) 2.200 0.600 0.600 peak 4506 spectrum 1 weight 0.10000E+01 volume 0.20318E-02 ppm1 1.754 ppm2 7.921 CV 1 ASSI { 4507} (( segid " " and resid 1730 and name HD2 )) (( segid " " and resid 1730 and name H )) 4.500 2.600 1.500 peak 4507 spectrum 1 weight 0.10000E+01 volume 0.56551E-03 ppm1 1.483 ppm2 7.920 CV 1 ASSI { 4512} (( segid " " and resid 1734 and name HB3 )) (( segid " " and resid 1735 and name H )) 3.000 1.100 1.100 peak 4512 spectrum 1 weight 0.10000E+01 volume 0.78898E-03 ppm1 2.129 ppm2 8.297 CV 1 ASSI { 4513} (( segid " " and resid 1734 and name HB3 )) (( segid " " and resid 1734 and name HA )) 3.100 1.200 1.200 peak 4513 spectrum 1 weight 0.10000E+01 volume 0.13646E-02 ppm1 2.125 ppm2 4.046 CV 1 ASSI { 4514} (( segid " " and resid 1734 and name HB2 )) (( segid " " and resid 1734 and name HA )) 2.700 0.900 0.900 peak 4514 spectrum 1 weight 0.10000E+01 volume 0.12631E-02 ppm1 2.201 ppm2 4.040 CV 1 ASSI { 4515} (( segid " " and resid 1734 and name HB2 )) (( segid " " and resid 1731 and name HA )) 3.900 1.900 1.900 peak 4515 spectrum 1 weight 0.10000E+01 volume 0.58921E-03 ppm1 2.203 ppm2 3.691 CV 1 ASSI { 4516} (( segid " " and resid 1734 and name HB3 )) (( segid " " and resid 1731 and name HA )) 3.300 1.300 1.300 peak 4516 spectrum 1 weight 0.10000E+01 volume 0.65693E-03 ppm1 2.124 ppm2 3.691 CV 1 ASSI { 4517} (( segid " " and resid 1734 and name HB3 )) (( segid " " and resid 1734 and name HG3 )) 3.000 1.200 1.200 peak 4517 spectrum 1 weight 0.10000E+01 volume 0.18421E-02 ppm1 2.122 ppm2 2.495 CV 1 ASSI { 4518} (( segid " " and resid 1734 and name HB2 )) ( segid " " and resid 1712 and name HD1%) 2.900 1.100 1.100 peak 4518 spectrum 1 weight 0.10000E+01 volume 0.81606E-03 ppm1 2.203 ppm2 0.998 CV 1 OR { 4518} (( segid " " and resid 1734 and name HB2 )) ( segid " " and resid 1712 and name HD2%) ASSI { 4519} (( segid " " and resid 1734 and name HB3 )) ( segid " " and resid 1712 and name HD1%) 4.100 4.100 1.900 peak 4519 spectrum 1 weight 0.10000E+01 volume 0.99557E-03 ppm1 2.125 ppm2 0.993 CV 1 OR { 4519} (( segid " " and resid 1734 and name HB3 )) ( segid " " and resid 1712 and name HD2%) ASSI { 4522} (( segid " " and resid 1734 and name HB3 )) ( segid " " and resid 1735 and name HB% ) 4.100 2.100 1.900 peak 4522 spectrum 1 weight 0.10000E+01 volume 0.97522E-03 ppm1 2.119 ppm2 1.440 CV 1 ASSI { 4523} (( segid " " and resid 1734 and name HG3 )) (( segid " " and resid 1734 and name H )) 4.200 2.200 1.800 peak 4523 spectrum 1 weight 0.10000E+01 volume 0.81947E-03 ppm1 2.514 ppm2 7.962 CV 1 OR { 4523} (( segid " " and resid 1734 and name HG2 )) (( segid " " and resid 1734 and name H )) ASSI { 4525} (( segid " " and resid 1734 and name HG2 )) (( segid " " and resid 1735 and name H )) 4.100 2.100 1.900 peak 4525 spectrum 1 weight 0.10000E+01 volume 0.61630E-03 ppm1 2.507 ppm2 8.295 CV 1 OR { 4525} (( segid " " and resid 1734 and name HG3 )) (( segid " " and resid 1735 and name H )) ASSI { 4527} (( segid " " and resid 1734 and name HG2 )) ( segid " " and resid 1738 and name HD% ) 3.600 1.600 1.600 peak 4527 spectrum 1 weight 0.10000E+01 volume 0.55873E-03 ppm1 2.484 ppm2 7.282 CV 1 OR { 4527} (( segid " " and resid 1734 and name HG3 )) ( segid " " and resid 1738 and name HD% ) ASSI { 4528} (( segid " " and resid 1734 and name HG2 )) ( segid " " and resid 1738 and name HE% ) 3.000 1.100 1.100 peak 4528 spectrum 1 weight 0.10000E+01 volume 0.87363E-03 ppm1 2.508 ppm2 7.060 CV 1 OR { 4528} (( segid " " and resid 1734 and name HG3 )) ( segid " " and resid 1738 and name HE% ) ASSI { 4529} (( segid " " and resid 1734 and name HG3 )) ( segid " " and resid 1738 and name HE% ) 3.800 1.800 1.800 peak 4529 spectrum 1 weight 0.10000E+01 volume 0.86689E-03 ppm1 2.477 ppm2 7.064 CV 1 ASSI { 4530} (( segid " " and resid 1734 and name HG2 )) (( segid " " and resid 1738 and name HZ )) 5.100 3.200 0.900 peak 4530 spectrum 1 weight 0.10000E+01 volume 0.44360E-03 ppm1 2.516 ppm2 6.982 CV 1 OR { 4530} (( segid " " and resid 1734 and name HG3 )) (( segid " " and resid 1738 and name HZ )) ASSI { 4531} (( segid " " and resid 1734 and name HG2 )) (( segid " " and resid 1734 and name HA )) 2.600 0.800 0.800 peak 4531 spectrum 1 weight 0.10000E+01 volume 0.21638E-02 ppm1 2.503 ppm2 4.040 CV 1 OR { 4531} (( segid " " and resid 1734 and name HG3 )) (( segid " " and resid 1734 and name HA )) ASSI { 4534} (( segid " " and resid 1734 and name HG2 )) (( segid " " and resid 1734 and name HB2 )) 2.600 0.800 0.800 peak 4534 spectrum 1 weight 0.10000E+01 volume 0.19675E-02 ppm1 2.506 ppm2 2.199 CV 1 OR { 4534} (( segid " " and resid 1734 and name HG3 )) (( segid " " and resid 1734 and name HB2 )) ASSI { 4535} (( segid " " and resid 1734 and name HG3 )) (( segid " " and resid 1734 and name HB3 )) 2.900 1.000 1.000 peak 4535 spectrum 1 weight 0.10000E+01 volume 0.17981E-02 ppm1 2.488 ppm2 2.123 CV 1 OR { 4535} (( segid " " and resid 1734 and name HG2 )) (( segid " " and resid 1734 and name HB3 )) ASSI { 4536} (( segid " " and resid 1734 and name HG3 )) ( segid " " and resid 1734 and name HE% ) 2.600 0.800 0.800 peak 4536 spectrum 1 weight 0.10000E+01 volume 0.26785E-02 ppm1 2.502 ppm2 2.027 CV 1 OR { 4536} (( segid " " and resid 1734 and name HG2 )) ( segid " " and resid 1734 and name HE% ) ASSI { 4537} (( segid " " and resid 1734 and name HG3 )) (( segid " " and resid 1709 and name HG13)) 4.600 2.600 1.400 peak 4537 spectrum 1 weight 0.10000E+01 volume 0.65355E-03 ppm1 2.467 ppm2 1.684 CV 1 ASSI { 4538} (( segid " " and resid 1734 and name HG2 )) (( segid " " and resid 1709 and name HG13)) 4.500 2.600 1.500 peak 4538 spectrum 1 weight 0.10000E+01 volume 0.66709E-03 ppm1 2.499 ppm2 1.670 CV 1 OR { 4538} (( segid " " and resid 1734 and name HG3 )) (( segid " " and resid 1709 and name HG13)) ASSI { 4539} (( segid " " and resid 1734 and name HG3 )) ( segid " " and resid 1712 and name HD1%) 3.200 1.300 1.300 peak 4539 spectrum 1 weight 0.10000E+01 volume 0.13850E-02 ppm1 2.503 ppm2 0.994 CV 1 OR { 4539} (( segid " " and resid 1734 and name HG3 )) ( segid " " and resid 1712 and name HD2%) OR { 4539} (( segid " " and resid 1734 and name HG2 )) ( segid " " and resid 1712 and name HD1%) ASSI { 4541} (( segid " " and resid 1734 and name HG3 )) ( segid " " and resid 1709 and name HG2%) 2.600 0.800 0.800 peak 4541 spectrum 1 weight 0.10000E+01 volume 0.21402E-02 ppm1 2.499 ppm2 0.810 CV 1 OR { 4541} (( segid " " and resid 1734 and name HG2 )) ( segid " " and resid 1709 and name HG2%) ASSI { 4543} (( segid " " and resid 1734 and name HA )) ( segid " " and resid 1709 and name HG2%) 3.400 1.400 1.400 peak 4543 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 4.038 ppm2 0.815 CV 1 OR { 4543} (( segid " " and resid 1734 and name HA )) (( segid " " and resid 1709 and name HG12)) ASSI { 4546} (( segid " " and resid 1742 and name HA )) (( segid " " and resid 1742 and name HB )) 2.600 0.800 0.800 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.43446E-02 ppm1 3.702 ppm2 4.464 CV 1 ASSI { 4547} ( segid " " and resid 1742 and name HG2%) (( segid " " and resid 1742 and name HB )) 2.000 0.500 0.500 peak 4547 spectrum 1 weight 0.10000E+01 volume 0.13603E-01 ppm1 1.316 ppm2 4.465 CV 1 ASSI { 4548} ( segid " " and resid 1742 and name HG2%) (( segid " " and resid 1742 and name HA )) 2.400 0.700 0.700 peak 4548 spectrum 1 weight 0.10000E+01 volume 0.69692E-02 ppm1 1.316 ppm2 3.704 CV 1 ASSI { 4549} ( segid " " and resid 1742 and name HG2%) (( segid " " and resid 1671 and name HB2 )) 2.900 1.100 1.100 peak 4549 spectrum 1 weight 0.10000E+01 volume 0.39382E-02 ppm1 1.316 ppm2 3.248 CV 1 OR { 4549} ( segid " " and resid 1742 and name HG2%) (( segid " " and resid 1671 and name HB3 )) ASSI { 4550} ( segid " " and resid 1742 and name HG2%) (( segid " " and resid 1674 and name HB2 )) 3.000 1.100 1.100 peak 4550 spectrum 1 weight 0.10000E+01 volume 0.36199E-02 ppm1 1.315 ppm2 2.973 CV 1 ASSI { 4551} (( segid " " and resid 1742 and name HA )) (( segid " " and resid 1743 and name HB2 )) 5.500 3.800 0.500 peak 4551 spectrum 1 weight 0.10000E+01 volume 0.10836E-03 ppm1 3.698 ppm2 1.772 CV 1 ASSI { 4555} ( segid " " and resid 1742 and name HG2%) ( segid " " and resid 1746 and name HG1%) 3.100 1.200 1.200 peak 4555 spectrum 1 weight 0.10000E+01 volume 0.61833E-02 ppm1 1.314 ppm2 1.041 CV 1 ASSI { 4557} (( segid " " and resid 1742 and name HA )) ( segid " " and resid 1675 and name HD2%) 3.100 1.200 1.200 peak 4557 spectrum 1 weight 0.10000E+01 volume 0.82627E-03 ppm1 3.702 ppm2 0.959 CV 1 ASSI { 4558} (( segid " " and resid 1742 and name HA )) ( segid " " and resid 1675 and name HD1%) 4.200 2.200 1.800 peak 4558 spectrum 1 weight 0.10000E+01 volume 0.39958E-03 ppm1 3.708 ppm2 0.788 CV 1 ASSI { 4559} ( segid " " and resid 1742 and name HG2%) ( segid " " and resid 1675 and name HD1%) 3.000 1.100 1.100 peak 4559 spectrum 1 weight 0.10000E+01 volume 0.60750E-02 ppm1 1.317 ppm2 0.798 CV 1 ASSI { 4560} (( segid " " and resid 1742 and name HB )) ( segid " " and resid 1745 and name HB% ) 4.300 2.300 1.700 peak 4560 spectrum 1 weight 0.10000E+01 volume 0.73142E-03 ppm1 4.474 ppm2 1.556 CV 1 ASSI { 4562} (( segid " " and resid 1742 and name HB )) ( segid " " and resid 1675 and name HD2%) 5.000 3.200 1.000 peak 4562 spectrum 1 weight 0.10000E+01 volume 0.36572E-03 ppm1 4.477 ppm2 0.944 CV 1 ASSI { 4564} (( segid " " and resid 1758 and name HA )) (( segid " " and resid 1758 and name H )) 2.900 1.000 1.000 peak 4564 spectrum 1 weight 0.10000E+01 volume 0.21740E-02 ppm1 3.807 ppm2 8.338 CV 1 ASSI { 4565} (( segid " " and resid 1758 and name HA )) (( segid " " and resid 1759 and name H )) 3.500 1.600 1.600 peak 4565 spectrum 1 weight 0.10000E+01 volume 0.73822E-03 ppm1 3.810 ppm2 7.883 CV 1 ASSI { 4566} (( segid " " and resid 1758 and name HA )) (( segid " " and resid 1761 and name H )) 3.700 1.700 1.700 peak 4566 spectrum 1 weight 0.10000E+01 volume 0.61969E-03 ppm1 3.809 ppm2 7.772 CV 1 ASSI { 4567} (( segid " " and resid 1758 and name HG2 )) (( segid " " and resid 1758 and name HE22)) 3.500 1.500 1.500 peak 4567 spectrum 1 weight 0.10000E+01 volume 0.22553E-02 ppm1 2.508 ppm2 7.486 CV 1 ASSI { 4569} (( segid " " and resid 1758 and name HG2 )) (( segid " " and resid 1758 and name HE21)) 3.200 1.300 1.300 peak 4569 spectrum 1 weight 0.10000E+01 volume 0.15543E-02 ppm1 2.510 ppm2 6.845 CV 1 ASSI { 4570} (( segid " " and resid 1758 and name HA )) (( segid " " and resid 1752 and name HB )) 3.100 1.200 1.200 peak 4570 spectrum 1 weight 0.10000E+01 volume 0.17643E-02 ppm1 3.808 ppm2 4.326 CV 1 ASSI { 4575} (( segid " " and resid 1758 and name HA )) (( segid " " and resid 1758 and name HG3 )) 3.400 1.500 1.500 peak 4575 spectrum 1 weight 0.10000E+01 volume 0.19099E-02 ppm1 3.807 ppm2 2.141 CV 1 ASSI { 4576} (( segid " " and resid 1758 and name HA )) (( segid " " and resid 1758 and name HG2 )) 3.200 1.300 1.300 peak 4576 spectrum 1 weight 0.10000E+01 volume 0.18523E-02 ppm1 3.808 ppm2 2.508 CV 1 ASSI { 4577} (( segid " " and resid 1758 and name HA )) (( segid " " and resid 1758 and name HB2 )) 2.700 0.900 0.900 peak 4577 spectrum 1 weight 0.10000E+01 volume 0.20690E-02 ppm1 3.808 ppm2 2.408 CV 1 ASSI { 4578} (( segid " " and resid 1758 and name HA )) (( segid " " and resid 1758 and name HB3 )) 2.700 0.900 0.900 peak 4578 spectrum 1 weight 0.10000E+01 volume 0.29257E-02 ppm1 3.809 ppm2 2.310 CV 1 ASSI { 4579} (( segid " " and resid 1758 and name HA )) (( segid " " and resid 1761 and name HB2 )) 4.400 2.400 1.600 peak 4579 spectrum 1 weight 0.10000E+01 volume 0.89738E-03 ppm1 3.813 ppm2 1.884 CV 1 ASSI { 4581} (( segid " " and resid 1758 and name HG2 )) (( segid " " and resid 1758 and name HB3 )) 2.600 0.800 0.800 peak 4581 spectrum 1 weight 0.10000E+01 volume 0.30273E-02 ppm1 2.487 ppm2 2.314 CV 1 ASSI { 4582} (( segid " " and resid 1758 and name HG2 )) ( segid " " and resid 1752 and name HG2%) 3.000 3.000 3.000 peak 4582 spectrum 1 weight 0.10000E+01 volume 0.92106E-03 ppm1 2.516 ppm2 1.337 CV 1 ASSI { 4584} (( segid " " and resid 1758 and name HA )) (( segid " " and resid 1761 and name HB3 )) 4.000 2.000 2.000 peak 4584 spectrum 1 weight 0.10000E+01 volume 0.97522E-03 ppm1 3.809 ppm2 1.482 CV 1 ASSI { 4586} (( segid " " and resid 1758 and name HA )) ( segid " " and resid 1762 and name HD2%) 4.500 2.500 1.500 peak 4586 spectrum 1 weight 0.10000E+01 volume 0.45376E-03 ppm1 3.809 ppm2 0.770 CV 1 ASSI { 4587} (( segid " " and resid 1758 and name HG2 )) ( segid " " and resid 1762 and name HD2%) 4.400 2.400 1.600 peak 4587 spectrum 1 weight 0.10000E+01 volume 0.67725E-03 ppm1 2.519 ppm2 0.775 CV 1 ASSI { 4588} (( segid " " and resid 1759 and name HA )) ( segid " " and resid 1762 and name HD2%) 2.700 0.900 0.900 peak 4588 spectrum 1 weight 0.10000E+01 volume 0.24008E-02 ppm1 4.279 ppm2 0.775 CV 1 ASSI { 4589} (( segid " " and resid 1759 and name HA )) ( segid " " and resid 1682 and name HB% ) 3.900 1.900 1.900 peak 4589 spectrum 1 weight 0.10000E+01 volume 0.82627E-03 ppm1 4.279 ppm2 1.552 CV 1 ASSI { 4590} (( segid " " and resid 1759 and name HA )) (( segid " " and resid 1762 and name HB3 )) 2.600 0.900 0.900 peak 4590 spectrum 1 weight 0.10000E+01 volume 0.10633E-02 ppm1 4.276 ppm2 1.400 CV 1 ASSI { 4595} (( segid " " and resid 1788 and name HA )) ( segid " " and resid 1789 and name HB% ) 3.600 1.600 1.600 peak 4595 spectrum 1 weight 0.10000E+01 volume 0.15001E-02 ppm1 4.378 ppm2 1.486 CV 1 ASSI { 4596} (( segid " " and resid 1794 and name HG2 )) (( segid " " and resid 1794 and name HA )) 2.700 0.900 0.900 peak 4596 spectrum 1 weight 0.10000E+01 volume 0.44123E-02 ppm1 2.408 ppm2 4.082 CV 1 ASSI { 4597} (( segid " " and resid 1805 and name HG2 )) (( segid " " and resid 1805 and name H )) 3.100 1.200 1.200 peak 4597 spectrum 1 weight 0.10000E+01 volume 0.32339E-02 ppm1 2.529 ppm2 8.061 CV 1 ASSI { 4598} (( segid " " and resid 1805 and name HG2 )) (( segid " " and resid 1805 and name HA )) 3.400 1.500 1.500 peak 4598 spectrum 1 weight 0.10000E+01 volume 0.21875E-02 ppm1 2.530 ppm2 4.066 CV 1 ASSI { 4599} (( segid " " and resid 1805 and name HG2 )) (( segid " " and resid 1802 and name HA )) 3.700 1.700 1.700 peak 4599 spectrum 1 weight 0.10000E+01 volume 0.68739E-03 ppm1 2.538 ppm2 4.258 CV 1 ASSI { 4600} (( segid " " and resid 1805 and name HG2 )) (( segid " " and resid 1805 and name HG3 )) 1.800 0.400 0.400 peak 4600 spectrum 1 weight 0.10000E+01 volume 0.12973E-01 ppm1 2.530 ppm2 2.295 CV 1 ASSI { 4602} (( segid " " and resid 1652 and name HA )) (( segid " " and resid 1652 and name HG3 )) 4.600 2.700 1.400 peak 4602 spectrum 1 weight 0.10000E+01 volume 0.32509E-03 ppm1 4.373 ppm2 1.775 CV 1 ASSI { 4604} (( segid " " and resid 1815 and name HA )) (( segid " " and resid 1815 and name HD21)) 3.100 1.200 1.200 peak 4604 spectrum 1 weight 0.10000E+01 volume 0.62985E-03 ppm1 4.574 ppm2 7.477 CV 1 ASSI { 4605} (( segid " " and resid 1815 and name HA )) (( segid " " and resid 1815 and name HD22)) 5.000 3.100 1.000 peak 4605 spectrum 1 weight 0.10000E+01 volume 0.47747E-03 ppm1 4.581 ppm2 6.708 CV 1 ASSI { 4606} (( segid " " and resid 1809 and name HB2 )) (( segid " " and resid 1764 and name HE22)) 4.700 2.800 1.300 peak 4606 spectrum 1 weight 0.10000E+01 volume 0.32847E-03 ppm1 2.710 ppm2 6.325 CV 1 ASSI { 4607} ( segid " " and resid 1810 and name HD2%) ( segid " " and resid 1702 and name HE% ) 2.400 0.700 0.700 peak 4607 spectrum 1 weight 0.10000E+01 volume 0.43988E-02 ppm1 0.885 ppm2 2.004 CV 1 ASSI { 4608} (( segid " " and resid 1672 and name HG )) ( segid " " and resid 1769 and name HB% ) 3.700 1.700 1.700 peak 4608 spectrum 1 weight 0.10000E+01 volume 0.16762E-02 ppm1 1.614 ppm2 1.332 CV 1 ASSI { 4609} (( segid " " and resid 1672 and name HG )) (( segid " " and resid 1672 and name HB2 )) 2.800 1.000 1.000 peak 4609 spectrum 1 weight 0.10000E+01 volume 0.33727E-02 ppm1 1.610 ppm2 1.940 CV 1 ASSI { 4610} (( segid " " and resid 1672 and name HG )) (( segid " " and resid 1672 and name HA )) 3.300 1.300 1.300 peak 4610 spectrum 1 weight 0.10000E+01 volume 0.19268E-02 ppm1 1.613 ppm2 3.939 CV 1 ASSI { 4611} (( segid " " and resid 1672 and name HG )) (( segid " " and resid 1669 and name HA )) 4.100 2.100 1.900 peak 4611 spectrum 1 weight 0.10000E+01 volume 0.62308E-03 ppm1 1.621 ppm2 4.521 CV 1 ASSI { 4614} (( segid " " and resid 1716 and name HG )) (( segid " " and resid 1717 and name H )) 4.600 2.600 1.400 peak 4614 spectrum 1 weight 0.10000E+01 volume 0.41312E-03 ppm1 1.534 ppm2 8.512 CV 1 ASSI { 4615} (( segid " " and resid 1716 and name HG )) (( segid " " and resid 1716 and name HA )) 2.800 1.000 1.000 peak 4615 spectrum 1 weight 0.10000E+01 volume 0.17710E-02 ppm1 1.536 ppm2 3.865 CV 1 ASSI { 4616} (( segid " " and resid 1716 and name HG )) (( segid " " and resid 1730 and name HB2 )) 2.700 0.900 0.900 peak 4616 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 1.533 ppm2 2.077 CV 1 ASSI { 4618} (( segid " " and resid 1716 and name HG )) (( segid " " and resid 1716 and name HB2 )) 3.100 1.200 1.200 peak 4618 spectrum 1 weight 0.10000E+01 volume 0.80593E-03 ppm1 1.537 ppm2 1.860 CV 1 ASSI { 4620} (( segid " " and resid 1716 and name HG )) ( segid " " and resid 1716 and name HD1%) 2.600 0.900 0.900 peak 4620 spectrum 1 weight 0.10000E+01 volume 0.21909E-02 ppm1 1.536 ppm2 0.894 CV 1 ASSI { 4621} (( segid " " and resid 1716 and name HG )) ( segid " " and resid 1727 and name HD1%) 3.000 1.200 1.200 peak 4621 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 1.536 ppm2 0.820 CV 1 ASSI { 4622} (( segid " " and resid 1716 and name HG )) ( segid " " and resid 1716 and name HD2%) 2.700 0.900 0.900 peak 4622 spectrum 1 weight 0.10000E+01 volume 0.18827E-02 ppm1 1.533 ppm2 0.701 CV 1 ASSI { 4624} ( segid " " and resid 1741 and name HD1%) (( segid " " and resid 1738 and name HZ )) 4.700 2.800 1.300 peak 4624 spectrum 1 weight 0.10000E+01 volume 0.23704E-03 ppm1 0.696 ppm2 6.991 CV 1 ASSI { 4627} (( segid " " and resid 1776 and name HG )) ( segid " " and resid 1776 and name HD1%) 2.500 0.800 0.800 peak 4627 spectrum 1 weight 0.10000E+01 volume 0.32136E-02 ppm1 1.952 ppm2 0.797 CV 1 ASSI { 4629} (( segid " " and resid 1695 and name HB2 )) (( segid " " and resid 1695 and name H )) 3.900 1.900 1.900 peak 4629 spectrum 1 weight 0.10000E+01 volume 0.28445E-03 ppm1 2.039 ppm2 9.018 CV 1 ASSI { 4630} (( segid " " and resid 1695 and name HG2 )) (( segid " " and resid 1695 and name HE21)) 3.000 1.100 1.100 peak 4630 spectrum 1 weight 0.10000E+01 volume 0.12462E-02 ppm1 2.106 ppm2 7.301 CV 1 OR { 4630} (( segid " " and resid 1695 and name HG3 )) (( segid " " and resid 1695 and name HE21)) ASSI { 4631} (( segid " " and resid 1695 and name HG2 )) (( segid " " and resid 1695 and name HE22)) 4.100 2.100 1.900 peak 4631 spectrum 1 weight 0.10000E+01 volume 0.85676E-03 ppm1 2.109 ppm2 6.758 CV 1 OR { 4631} (( segid " " and resid 1695 and name HG3 )) (( segid " " and resid 1695 and name HE22)) ASSI { 4633} (( segid " " and resid 1695 and name HG3 )) (( segid " " and resid 1751 and name HE3 )) 4.600 2.600 1.400 peak 4633 spectrum 1 weight 0.10000E+01 volume 0.44699E-03 ppm1 2.101 ppm2 3.050 CV 1 OR { 4633} (( segid " " and resid 1695 and name HG2 )) (( segid " " and resid 1751 and name HE3 )) ASSI { 4635} (( segid " " and resid 1695 and name HG2 )) ( segid " " and resid 1698 and name HD1%) 4.800 2.900 1.200 peak 4635 spectrum 1 weight 0.10000E+01 volume 0.44699E-03 ppm1 2.111 ppm2 0.622 CV 1 OR { 4635} (( segid " " and resid 1695 and name HG3 )) ( segid " " and resid 1698 and name HD1%) ASSI { 4636} (( segid " " and resid 1695 and name HG2 )) ( segid " " and resid 1698 and name HD1%) 5.100 3.300 0.900 peak 4636 spectrum 1 weight 0.10000E+01 volume 0.34202E-03 ppm1 2.070 ppm2 0.618 CV 1 ASSI { 4637} (( segid " " and resid 1695 and name HB3 )) ( segid " " and resid 1698 and name HD1%) 5.200 3.400 0.800 peak 4637 spectrum 1 weight 0.10000E+01 volume 0.35217E-03 ppm1 2.001 ppm2 0.629 CV 1 ASSI { 4638} (( segid " " and resid 1695 and name HB2 )) ( segid " " and resid 1698 and name HD1%) 5.100 3.300 0.900 peak 4638 spectrum 1 weight 0.10000E+01 volume 0.23704E-03 ppm1 2.033 ppm2 0.617 CV 1 ASSI { 4641} (( segid " " and resid 1695 and name HB3 )) (( segid " " and resid 1751 and name HE3 )) 4.800 2.900 1.200 peak 4641 spectrum 1 weight 0.10000E+01 volume 0.49778E-03 ppm1 1.989 ppm2 3.036 CV 1 OR { 4641} (( segid " " and resid 1695 and name HB3 )) (( segid " " and resid 1751 and name HE2 )) ASSI { 4642} (( segid " " and resid 1776 and name HG )) (( segid " " and resid 1776 and name H )) 2.600 0.900 0.900 peak 4642 spectrum 1 weight 0.10000E+01 volume 0.22620E-02 ppm1 1.961 ppm2 8.692 CV 1 ASSI { 4643} (( segid " " and resid 1776 and name HG )) (( segid " " and resid 1776 and name HA )) 3.300 1.400 1.400 peak 4643 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 1.966 ppm2 3.957 CV 1 ASSI { 4644} (( segid " " and resid 1776 and name HG )) (( segid " " and resid 1773 and name HA )) 3.500 1.600 1.600 peak 4644 spectrum 1 weight 0.10000E+01 volume 0.67387E-03 ppm1 1.962 ppm2 3.727 CV 1 ASSI { 4647} (( segid " " and resid 1793 and name HG2 )) (( segid " " and resid 1794 and name H )) 3.700 1.700 1.700 peak 4647 spectrum 1 weight 0.10000E+01 volume 0.15577E-02 ppm1 2.396 ppm2 8.453 CV 1 OR { 4647} (( segid " " and resid 1793 and name HG3 )) (( segid " " and resid 1794 and name H )) ASSI { 4649} (( segid " " and resid 1712 and name HB2 )) ( segid " " and resid 1716 and name HD1%) 4.900 3.000 1.100 peak 4649 spectrum 1 weight 0.10000E+01 volume 0.30815E-03 ppm1 1.933 ppm2 0.894 CV 1 ASSI { 4650} (( segid " " and resid 1712 and name HB3 )) ( segid " " and resid 1716 and name HD1%) 5.500 3.700 0.500 peak 4650 spectrum 1 weight 0.10000E+01 volume 0.41312E-03 ppm1 1.658 ppm2 0.890 CV 1 ASSI { 4651} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1738 and name HZ )) 4.600 2.600 1.400 peak 4651 spectrum 1 weight 0.10000E+01 volume 0.89398E-03 ppm1 0.370 ppm2 6.999 CV 1 ASSI { 4652} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1690 and name H )) 3.700 1.700 1.700 peak 4652 spectrum 1 weight 0.10000E+01 volume 0.86349E-03 ppm1 0.619 ppm2 8.056 CV 1 ASSI { 4654} ( segid " " and resid 1776 and name HD2%) (( segid " " and resid 1731 and name HA )) 3.000 1.100 1.100 peak 4654 spectrum 1 weight 0.10000E+01 volume 0.24042E-02 ppm1 0.879 ppm2 3.691 CV 1 ASSI { 4655} ( segid " " and resid 1776 and name HD2%) (( segid " " and resid 1735 and name HA )) 3.300 1.400 1.400 peak 4655 spectrum 1 weight 0.10000E+01 volume 0.48085E-03 ppm1 0.882 ppm2 3.553 CV 1 ASSI { 4656} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1773 and name HB2 )) 2.200 0.600 0.600 peak 4656 spectrum 1 weight 0.10000E+01 volume 0.98407E-02 ppm1 0.927 ppm2 1.759 CV 1 OR { 4656} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1773 and name HB3 )) ASSI { 4657} (( segid " " and resid 1716 and name HG )) (( segid " " and resid 1716 and name H )) 4.500 2.500 1.500 peak 4657 spectrum 1 weight 0.10000E+01 volume 0.55196E-03 ppm1 1.525 ppm2 8.093 CV 1 ASSI { 4658} (( segid " " and resid 1736 and name HG3 )) ( segid " " and resid 1737 and name HE% ) 4.600 2.600 1.400 peak 4658 spectrum 1 weight 0.10000E+01 volume 0.38942E-03 ppm1 2.218 ppm2 6.757 CV 1 ASSI { 4659} (( segid " " and resid 1736 and name HG3 )) (( segid " " and resid 1736 and name HE22)) 4.300 2.300 1.700 peak 4659 spectrum 1 weight 0.10000E+01 volume 0.10091E-02 ppm1 2.208 ppm2 6.690 CV 1 ASSI { 4660} (( segid " " and resid 1805 and name HB3 )) ( segid " " and resid 1804 and name HG2%) 3.600 1.600 1.600 peak 4660 spectrum 1 weight 0.10000E+01 volume 0.14392E-02 ppm1 2.129 ppm2 1.291 CV 1 OR { 4660} (( segid " " and resid 1805 and name HB2 )) ( segid " " and resid 1804 and name HG2%) ASSI { 4661} (( segid " " and resid 1805 and name HB2 )) ( segid " " and resid 1806 and name HB% ) 3.900 1.900 1.900 peak 4661 spectrum 1 weight 0.10000E+01 volume 0.21299E-02 ppm1 2.131 ppm2 1.595 CV 1 ASSI { 4662} (( segid " " and resid 1816 and name HB2 )) ( segid " " and resid 1813 and name HG2%) 4.000 2.000 2.000 peak 4662 spectrum 1 weight 0.10000E+01 volume 0.45376E-03 ppm1 2.137 ppm2 1.081 CV 1 ASSI { 4664} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1803 and name HG3 )) 2.800 1.000 1.000 peak 4664 spectrum 1 weight 0.10000E+01 volume 0.39958E-02 ppm1 2.059 ppm2 2.759 CV 1 ASSI { 4665} ( segid " " and resid 1803 and name HE% ) ( segid " " and resid 1772 and name HB% ) 2.100 0.500 0.500 peak 4665 spectrum 1 weight 0.10000E+01 volume 0.12130E-01 ppm1 2.061 ppm2 1.278 CV 1 ASSI { 4666} ( segid " " and resid 1803 and name HE% ) ( segid " " and resid 1768 and name HD1%) 2.100 0.500 0.500 peak 4666 spectrum 1 weight 0.10000E+01 volume 0.18252E-01 ppm1 2.060 ppm2 1.057 CV 1 ASSI { 4667} ( segid " " and resid 1803 and name HE% ) ( segid " " and resid 1709 and name HG2%) 1.800 0.400 0.400 peak 4667 spectrum 1 weight 0.10000E+01 volume 0.19437E-01 ppm1 2.060 ppm2 0.808 CV 1 ASSI { 4668} ( segid " " and resid 1803 and name HE% ) ( segid " " and resid 1709 and name HD1%) 2.600 0.900 0.900 peak 4668 spectrum 1 weight 0.10000E+01 volume 0.20995E-02 ppm1 2.060 ppm2 0.251 CV 1 ASSI { 4669} ( segid " " and resid 1803 and name HE% ) ( segid " " and resid 1668 and name HD2%) 3.100 1.200 1.200 peak 4669 spectrum 1 weight 0.10000E+01 volume 0.72468E-03 ppm1 2.055 ppm2 0.373 CV 1 ASSI { 4670} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1709 and name HA )) 3.100 3.100 2.900 peak 4670 spectrum 1 weight 0.10000E+01 volume 0.80933E-03 ppm1 2.060 ppm2 3.427 CV 1 ASSI { 4671} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1713 and name HA )) 2.900 2.900 3.100 peak 4671 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 2.061 ppm2 3.335 CV 1 ASSI { 4672} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1771 and name HB3 )) 2.900 1.100 1.100 peak 4672 spectrum 1 weight 0.10000E+01 volume 0.11310E-02 ppm1 2.060 ppm2 3.829 CV 1 ASSI { 4674} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1803 and name HA )) 2.700 2.700 3.300 peak 4674 spectrum 1 weight 0.10000E+01 volume 0.16119E-02 ppm1 2.060 ppm2 4.346 CV 1 ASSI { 4675} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1772 and name HA )) 2.400 0.700 0.700 peak 4675 spectrum 1 weight 0.10000E+01 volume 0.32542E-02 ppm1 2.061 ppm2 4.501 CV 1 ASSI { 4676} ( segid " " and resid 1803 and name HE% ) ( segid " " and resid 1738 and name HE% ) 2.700 0.900 0.900 peak 4676 spectrum 1 weight 0.10000E+01 volume 0.25228E-02 ppm1 2.060 ppm2 7.061 CV 1 ASSI { 4677} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1738 and name HZ )) 2.300 0.600 0.600 peak 4677 spectrum 1 weight 0.10000E+01 volume 0.34777E-02 ppm1 2.061 ppm2 6.986 CV 1 ASSI { 4678} ( segid " " and resid 1803 and name HE% ) ( segid " " and resid 1738 and name HD% ) 2.900 1.000 1.000 peak 4678 spectrum 1 weight 0.10000E+01 volume 0.12326E-02 ppm1 2.060 ppm2 7.278 CV 1 ASSI { 4679} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1775 and name H )) 3.100 3.100 2.900 peak 4679 spectrum 1 weight 0.10000E+01 volume 0.81606E-03 ppm1 2.064 ppm2 8.140 CV 1 ASSI { 4680} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1803 and name H )) 3.200 3.200 2.800 peak 4680 spectrum 1 weight 0.10000E+01 volume 0.58583E-03 ppm1 2.060 ppm2 8.349 CV 1 ASSI { 4681} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1772 and name H )) 3.500 1.500 1.500 peak 4681 spectrum 1 weight 0.10000E+01 volume 0.20487E-02 ppm1 2.059 ppm2 8.490 CV 1 ASSI { 4682} (( segid " " and resid 1659 and name HG )) (( segid " " and resid 1659 and name HA )) 3.100 1.200 1.200 peak 4682 spectrum 1 weight 0.10000E+01 volume 0.17914E-02 ppm1 1.597 ppm2 4.120 CV 1 ASSI { 4683} (( segid " " and resid 1659 and name HG )) (( segid " " and resid 1659 and name H )) 3.900 1.900 1.900 peak 4683 spectrum 1 weight 0.10000E+01 volume 0.14696E-02 ppm1 1.599 ppm2 8.645 CV 1 ASSI { 4684} (( segid " " and resid 1659 and name HG )) (( segid " " and resid 1660 and name H )) 3.700 1.700 1.700 peak 4684 spectrum 1 weight 0.10000E+01 volume 0.69760E-03 ppm1 1.597 ppm2 9.684 CV 1 ASSI { 4685} ( segid " " and resid 1659 and name HD1%) (( segid " " and resid 1660 and name H )) 5.100 3.200 0.900 peak 4685 spectrum 1 weight 0.10000E+01 volume 0.38265E-03 ppm1 0.920 ppm2 9.674 CV 1 ASSI { 4686} (( segid " " and resid 1675 and name HG )) (( segid " " and resid 1676 and name H )) 4.200 2.200 1.800 peak 4686 spectrum 1 weight 0.10000E+01 volume 0.68406E-03 ppm1 1.936 ppm2 8.710 CV 1 ASSI { 4689} (( segid " " and resid 1788 and name HB3 )) (( segid " " and resid 1788 and name HG2 )) 2.500 0.800 0.800 peak 4689 spectrum 1 weight 0.10000E+01 volume 0.59327E-02 ppm1 2.148 ppm2 2.386 CV 1 ASSI { 4690} (( segid " " and resid 1788 and name HB3 )) (( segid " " and resid 1788 and name HB2 )) 1.800 0.400 0.400 peak 4690 spectrum 1 weight 0.10000E+01 volume 0.13965E-01 ppm1 2.149 ppm2 2.306 CV 1 ASSI { 4691} (( segid " " and resid 1788 and name HA )) (( segid " " and resid 1788 and name HG3 )) 3.000 1.100 1.100 peak 4691 spectrum 1 weight 0.10000E+01 volume 0.23365E-02 ppm1 4.384 ppm2 2.466 CV 1 ASSI { 4692} (( segid " " and resid 1788 and name HA )) (( segid " " and resid 1788 and name HG2 )) 3.000 1.200 1.200 peak 4692 spectrum 1 weight 0.10000E+01 volume 0.22620E-02 ppm1 4.384 ppm2 2.399 CV 1 ASSI { 4693} (( segid " " and resid 1788 and name HA )) (( segid " " and resid 1788 and name HB2 )) 2.600 0.800 0.800 peak 4693 spectrum 1 weight 0.10000E+01 volume 0.54790E-02 ppm1 4.383 ppm2 2.304 CV 1 ASSI { 4694} (( segid " " and resid 1788 and name HA )) (( segid " " and resid 1788 and name HB3 )) 2.600 0.900 0.900 peak 4694 spectrum 1 weight 0.10000E+01 volume 0.43582E-02 ppm1 4.384 ppm2 2.149 CV 1 ASSI { 4695} (( segid " " and resid 1788 and name HB2 )) (( segid " " and resid 1788 and name HG3 )) 2.500 0.800 0.800 peak 4695 spectrum 1 weight 0.10000E+01 volume 0.54993E-02 ppm1 2.302 ppm2 2.466 CV 1 ASSI { 4696} (( segid " " and resid 1788 and name HB2 )) (( segid " " and resid 1785 and name HB3 )) 4.100 2.100 1.900 peak 4696 spectrum 1 weight 0.10000E+01 volume 0.43683E-03 ppm1 2.297 ppm2 3.090 CV 1 ASSI { 4698} (( segid " " and resid 1788 and name HB3 )) (( segid " " and resid 1785 and name HB3 )) 4.100 2.100 1.900 peak 4698 spectrum 1 weight 0.10000E+01 volume 0.55196E-03 ppm1 2.151 ppm2 3.077 CV 1 ASSI { 4699} (( segid " " and resid 1788 and name HB2 )) (( segid " " and resid 1788 and name HE21)) 3.600 1.600 1.600 peak 4699 spectrum 1 weight 0.10000E+01 volume 0.80593E-03 ppm1 2.304 ppm2 7.568 CV 1 ASSI { 4703} (( segid " " and resid 1788 and name HG3 )) (( segid " " and resid 1788 and name HE22)) 4.400 2.500 1.600 peak 4703 spectrum 1 weight 0.10000E+01 volume 0.57567E-03 ppm1 2.462 ppm2 6.698 CV 1 ASSI { 4704} (( segid " " and resid 1757 and name HG3 )) (( segid " " and resid 1757 and name H )) 3.400 1.500 1.500 peak 4704 spectrum 1 weight 0.10000E+01 volume 0.14696E-02 ppm1 2.373 ppm2 7.241 CV 1 OR { 4704} (( segid " " and resid 1757 and name HG2 )) (( segid " " and resid 1757 and name H )) ASSI { 4705} (( segid " " and resid 1736 and name HG2 )) ( segid " " and resid 1737 and name HE% ) 4.100 2.200 1.900 peak 4705 spectrum 1 weight 0.10000E+01 volume 0.25735E-03 ppm1 1.802 ppm2 6.767 CV 1 ASSI { 4706} (( segid " " and resid 1736 and name HG2 )) (( segid " " and resid 1736 and name HE22)) 4.800 2.800 1.200 peak 4706 spectrum 1 weight 0.10000E+01 volume 0.41651E-03 ppm1 1.807 ppm2 6.689 CV 1 ASSI { 4708} (( segid " " and resid 1726 and name HG2 )) (( segid " " and resid 1726 and name HE22)) 4.500 2.500 1.500 peak 4708 spectrum 1 weight 0.10000E+01 volume 0.55873E-03 ppm1 2.353 ppm2 6.805 CV 1 ASSI { 4709} (( segid " " and resid 1726 and name HG2 )) (( segid " " and resid 1726 and name HE21)) 3.400 1.400 1.400 peak 4709 spectrum 1 weight 0.10000E+01 volume 0.95835E-03 ppm1 2.354 ppm2 7.535 CV 1 ASSI { 4711} (( segid " " and resid 1707 and name HG2 )) (( segid " " and resid 1707 and name HE21)) 3.500 1.600 1.600 peak 4711 spectrum 1 weight 0.10000E+01 volume 0.14256E-02 ppm1 2.460 ppm2 7.240 CV 1 ASSI { 4712} (( segid " " and resid 1658 and name HG3 )) (( segid " " and resid 1658 and name HE22)) 4.100 2.100 1.900 peak 4712 spectrum 1 weight 0.10000E+01 volume 0.90078E-03 ppm1 2.457 ppm2 7.338 CV 1 ASSI { 2} (( segid " " and resid 1701 and name H )) (( segid " " and resid 1701 and name HB2 )) 2.300 0.700 0.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.61032E-02 ppm1 8.308 ppm2 2.335 CV 1 ASSI { 3} (( segid " " and resid 1701 and name H )) (( segid " " and resid 1701 and name HB3 )) 3.000 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.24633E-02 ppm1 8.308 ppm2 2.034 CV 1 ASSI { 4} (( segid " " and resid 1701 and name H )) ( segid " " and resid 1744 and name HB% ) 4.200 2.200 1.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.85437E-03 ppm1 8.308 ppm2 1.562 CV 1 ASSI { 5} (( segid " " and resid 1701 and name H )) ( segid " " and resid 1700 and name HG2%) 3.700 1.700 1.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.12993E-02 ppm1 8.308 ppm2 1.279 CV 1 ASSI { 6} (( segid " " and resid 1701 and name H )) (( segid " " and resid 1700 and name HB )) 2.800 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.25403E-02 ppm1 8.308 ppm2 4.330 CV 1 ASSI { 7} (( segid " " and resid 1701 and name H )) (( segid " " and resid 1697 and name HA )) 3.700 1.700 1.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.77537E-03 ppm1 8.307 ppm2 4.191 CV 1 ASSI { 9} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1659 and name H )) 2.700 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.27149E-02 ppm1 7.781 ppm2 8.628 CV 1 ASSI { 10} (( segid " " and resid 1671 and name H )) (( segid " " and resid 1672 and name H )) 2.800 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.25340E-02 ppm1 7.967 ppm2 8.464 CV 1 ASSI { 11} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1657 and name H )) 2.900 1.100 1.100 peak 11 spectrum 1 weight 0.10000E+01 volume 0.13637E-02 ppm1 7.781 ppm2 8.753 CV 1 ASSI { 13} (( segid " " and resid 1671 and name H )) (( segid " " and resid 1671 and name HA )) 2.700 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.32886E-02 ppm1 7.968 ppm2 4.361 CV 1 ASSI { 14} (( segid " " and resid 1671 and name H )) (( segid " " and resid 1670 and name HA )) 3.200 1.300 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.29393E-02 ppm1 7.967 ppm2 4.224 CV 1 OR { 14} (( segid " " and resid 1671 and name H )) (( segid " " and resid 1670 and name HB2 )) ASSI { 15} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1657 and name HA3 )) 3.100 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.16152E-02 ppm1 7.780 ppm2 4.115 CV 1 ASSI { 17} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1658 and name HA )) 2.700 0.900 0.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.32595E-02 ppm1 7.781 ppm2 3.919 CV 1 ASSI { 19} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1657 and name HA2 )) 3.600 1.600 1.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.10518E-02 ppm1 7.780 ppm2 3.664 CV 1 ASSI { 20} (( segid " " and resid 1817 and name H )) ( segid " " and resid 1814 and name HD2%) 4.500 2.500 1.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.58621E-03 ppm1 7.968 ppm2 0.829 CV 1 ASSI { 21} (( segid " " and resid 1671 and name H )) (( segid " " and resid 1672 and name HB2 )) 4.600 2.600 1.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.49682E-03 ppm1 7.969 ppm2 1.937 CV 1 ASSI { 22} (( segid " " and resid 1671 and name H )) ( segid " " and resid 1667 and name HB% ) 3.400 1.400 1.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.44901E-03 ppm1 7.965 ppm2 1.638 CV 1 ASSI { 23} (( segid " " and resid 1671 and name H )) ( segid " " and resid 1742 and name HG2%) 4.200 2.200 1.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.72339E-03 ppm1 7.969 ppm2 1.304 CV 1 ASSI { 24} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1816 and name HB2 )) 4.200 2.300 1.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.65481E-03 ppm1 8.496 ppm2 2.115 CV 1 ASSI { 25} (( segid " " and resid 1815 and name H )) ( segid " " and resid 1703 and name HD2%) 4.500 2.600 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.84811E-03 ppm1 8.496 ppm2 0.885 CV 1 ASSI { 26} (( segid " " and resid 1671 and name H )) (( segid " " and resid 1671 and name HB2 )) 2.700 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.37896E-02 ppm1 7.968 ppm2 3.241 CV 1 OR { 26} (( segid " " and resid 1671 and name H )) (( segid " " and resid 1671 and name HB3 )) ASSI { 27} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1814 and name H )) 2.600 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.31410E-02 ppm1 8.004 ppm2 8.476 CV 1 ASSI { 29} (( segid " " and resid 1812 and name H )) (( segid " " and resid 1811 and name H )) 2.700 0.900 0.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.33281E-02 ppm1 8.196 ppm2 8.473 CV 1 ASSI { 30} (( segid " " and resid 1686 and name H )) (( segid " " and resid 1687 and name H )) 2.000 0.500 0.500 peak 30 spectrum 1 weight 0.10000E+01 volume 0.86703E-02 ppm1 8.480 ppm2 7.990 CV 1 ASSI { 31} (( segid " " and resid 1686 and name H )) (( segid " " and resid 1684 and name H )) 4.000 2.000 2.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.53424E-03 ppm1 8.483 ppm2 7.425 CV 1 ASSI { 32} (( segid " " and resid 1812 and name H )) (( segid " " and resid 1812 and name HB )) 2.500 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.54401E-02 ppm1 8.195 ppm2 4.487 CV 1 ASSI { 33} (( segid " " and resid 1812 and name H )) (( segid " " and resid 1811 and name HB )) 2.800 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.27273E-02 ppm1 8.194 ppm2 4.333 CV 1 ASSI { 34} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1812 and name HB )) 2.500 0.800 0.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.36171E-02 ppm1 8.004 ppm2 4.487 CV 1 ASSI { 35} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1813 and name HB )) 2.400 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.57478E-02 ppm1 8.005 ppm2 4.401 CV 1 ASSI { 38} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1813 and name HA )) 2.600 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.45691E-02 ppm1 8.005 ppm2 3.875 CV 1 ASSI { 39} (( segid " " and resid 1686 and name H )) (( segid " " and resid 1686 and name HA )) 2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.31202E-02 ppm1 8.481 ppm2 4.536 CV 1 ASSI { 40} (( segid " " and resid 1686 and name H )) (( segid " " and resid 1685 and name HA )) 2.400 0.700 0.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.38686E-02 ppm1 8.480 ppm2 4.198 CV 1 ASSI { 41} (( segid " " and resid 1733 and name H )) (( segid " " and resid 1733 and name HG2 )) 3.800 1.800 1.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.21661E-02 ppm1 7.988 ppm2 2.377 CV 1 ASSI { 42} (( segid " " and resid 1733 and name H )) (( segid " " and resid 1733 and name HG3 )) 2.200 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.62966E-02 ppm1 7.988 ppm2 2.235 CV 1 OR { 42} (( segid " " and resid 1733 and name H )) (( segid " " and resid 1733 and name HB2 )) ASSI { 43} (( segid " " and resid 1733 and name H )) (( segid " " and resid 1733 and name HB3 )) 3.400 1.500 1.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.28832E-02 ppm1 7.989 ppm2 2.059 CV 1 ASSI { 46} (( segid " " and resid 1813 and name H )) ( segid " " and resid 1810 and name HD1%) 3.800 1.800 1.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.12161E-02 ppm1 7.997 ppm2 0.978 CV 1 ASSI { 49} (( segid " " and resid 1810 and name H )) (( segid " " and resid 1811 and name H )) 2.600 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.36503E-02 ppm1 7.518 ppm2 8.462 CV 1 ASSI { 51} (( segid " " and resid 1810 and name H )) (( segid " " and resid 1810 and name HA )) 2.700 0.900 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.26359E-02 ppm1 7.519 ppm2 4.405 CV 1 ASSI { 55} (( segid " " and resid 1810 and name H )) (( segid " " and resid 1810 and name HB3 )) 2.700 0.900 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.33572E-02 ppm1 7.519 ppm2 1.812 CV 1 ASSI { 56} (( segid " " and resid 1810 and name H )) (( segid " " and resid 1810 and name HB2 )) 2.600 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.31929E-02 ppm1 7.520 ppm2 1.516 CV 1 ASSI { 57} (( segid " " and resid 1810 and name H )) ( segid " " and resid 1810 and name HD1%) 4.100 2.100 1.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.11330E-02 ppm1 7.520 ppm2 0.969 CV 1 ASSI { 59} (( segid " " and resid 1809 and name H )) (( segid " " and resid 1808 and name HB2 )) 2.700 0.900 0.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.40453E-02 ppm1 8.416 ppm2 2.167 CV 1 OR { 59} (( segid " " and resid 1809 and name H )) (( segid " " and resid 1808 and name HB3 )) ASSI { 60} (( segid " " and resid 1809 and name H )) (( segid " " and resid 1808 and name H )) 2.600 0.800 0.800 peak 60 spectrum 1 weight 0.10000E+01 volume 0.37792E-02 ppm1 8.416 ppm2 8.188 CV 1 ASSI { 69} (( segid " " and resid 1811 and name H )) (( segid " " and resid 1811 and name HB )) 2.600 0.900 0.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.30371E-02 ppm1 8.463 ppm2 4.334 CV 1 ASSI { 70} (( segid " " and resid 1811 and name H )) (( segid " " and resid 1811 and name HA )) 2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.20767E-02 ppm1 8.463 ppm2 3.632 CV 1 ASSI { 72} (( segid " " and resid 1811 and name H )) (( segid " " and resid 1810 and name HB2 )) 4.300 2.300 1.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.93542E-03 ppm1 8.466 ppm2 1.523 CV 1 ASSI { 75} (( segid " " and resid 1808 and name H )) (( segid " " and resid 1807 and name H )) 2.700 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.32075E-02 ppm1 8.181 ppm2 8.602 CV 1 ASSI { 78} (( segid " " and resid 1807 and name H )) (( segid " " and resid 1806 and name H )) 2.600 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.28978E-02 ppm1 8.593 ppm2 7.962 CV 1 ASSI { 79} (( segid " " and resid 1808 and name H )) (( segid " " and resid 1808 and name HA )) 2.600 0.900 0.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.40349E-02 ppm1 8.181 ppm2 4.030 CV 1 ASSI { 80} (( segid " " and resid 1808 and name H )) (( segid " " and resid 1804 and name HA )) 4.300 2.300 1.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.48435E-03 ppm1 8.181 ppm2 3.790 CV 1 ASSI { 82} (( segid " " and resid 1807 and name H )) (( segid " " and resid 1806 and name HA )) 3.400 1.400 1.400 peak 82 spectrum 1 weight 0.10000E+01 volume 0.98740E-03 ppm1 8.593 ppm2 4.274 CV 1 ASSI { 83} (( segid " " and resid 1807 and name H )) (( segid " " and resid 1805 and name HA )) 3.700 1.700 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.61739E-03 ppm1 8.593 ppm2 4.052 CV 1 ASSI { 85} (( segid " " and resid 1807 and name H )) (( segid " " and resid 1807 and name HA )) 2.800 0.900 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.28084E-02 ppm1 8.594 ppm2 3.541 CV 1 ASSI { 87} (( segid " " and resid 1807 and name H )) (( segid " " and resid 1808 and name HB2 )) 4.100 2.100 1.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.82110E-03 ppm1 8.594 ppm2 2.150 CV 1 ASSI { 89} (( segid " " and resid 1807 and name H )) ( segid " " and resid 1804 and name HG2%) 3.400 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.40743E-03 ppm1 8.593 ppm2 1.299 CV 1 ASSI { 92} (( segid " " and resid 1808 and name H )) ( segid " " and resid 1804 and name HG2%) 3.400 1.500 1.500 peak 92 spectrum 1 weight 0.10000E+01 volume 0.42822E-03 ppm1 8.180 ppm2 1.293 CV 1 ASSI { 96} (( segid " " and resid 1806 and name H )) (( segid " " and resid 1805 and name H )) 2.700 0.900 0.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.27460E-02 ppm1 7.954 ppm2 8.056 CV 1 ASSI { 98} (( segid " " and resid 1805 and name H )) (( segid " " and resid 1804 and name H )) 2.700 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.26255E-02 ppm1 8.047 ppm2 8.538 CV 1 ASSI { 103} (( segid " " and resid 1793 and name H )) (( segid " " and resid 1792 and name HA )) 2.800 1.000 1.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.33260E-02 ppm1 7.933 ppm2 4.203 CV 1 ASSI { 104} (( segid " " and resid 1805 and name H )) (( segid " " and resid 1805 and name HA )) 2.600 0.800 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.53050E-02 ppm1 8.047 ppm2 4.065 CV 1 ASSI { 105} (( segid " " and resid 1793 and name H )) (( segid " " and resid 1793 and name HA )) 2.700 0.900 0.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.34404E-02 ppm1 7.932 ppm2 4.027 CV 1 ASSI { 108} (( segid " " and resid 1806 and name H )) (( segid " " and resid 1806 and name HA )) 2.500 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.47188E-02 ppm1 7.954 ppm2 4.274 CV 1 ASSI { 109} (( segid " " and resid 1806 and name H )) (( segid " " and resid 1805 and name HA )) 3.300 1.400 1.400 peak 109 spectrum 1 weight 0.10000E+01 volume 0.14094E-02 ppm1 7.954 ppm2 4.065 CV 1 ASSI { 113} (( segid " " and resid 1805 and name H )) (( segid " " and resid 1805 and name HG3 )) 4.100 2.100 1.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.15986E-02 ppm1 8.048 ppm2 2.310 CV 1 ASSI { 114} (( segid " " and resid 1805 and name H )) (( segid " " and resid 1805 and name HB2 )) 2.900 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.84002E-02 ppm1 8.047 ppm2 2.130 CV 1 ASSI { 115} (( segid " " and resid 1760 and name H )) (( segid " " and resid 1759 and name HG3 )) 3.800 1.800 1.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 7.985 ppm2 2.125 CV 1 ASSI { 116} (( segid " " and resid 1806 and name H )) (( segid " " and resid 1805 and name HB3 )) 2.800 0.900 0.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.44839E-02 ppm1 7.954 ppm2 2.130 CV 1 OR { 116} (( segid " " and resid 1806 and name H )) (( segid " " and resid 1805 and name HB2 )) ASSI { 117} (( segid " " and resid 1674 and name H )) (( segid " " and resid 1673 and name HB2 )) 2.500 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.47666E-02 ppm1 7.888 ppm2 2.089 CV 1 ASSI { 118} (( segid " " and resid 1674 and name H )) (( segid " " and resid 1674 and name HB2 )) 2.600 0.800 0.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.40057E-02 ppm1 7.889 ppm2 2.975 CV 1 ASSI { 119} (( segid " " and resid 1674 and name H )) (( segid " " and resid 1674 and name HB3 )) 3.000 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.30454E-02 ppm1 7.888 ppm2 2.522 CV 1 ASSI { 120} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1775 and name HB3 )) 2.700 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 8.680 ppm2 2.331 CV 1 ASSI { 121} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1776 and name HG )) 2.200 0.600 0.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.65876E-02 ppm1 8.680 ppm2 1.959 CV 1 OR { 121} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1776 and name HB2 )) ASSI { 122} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1775 and name HG )) 4.400 2.400 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.75666E-03 ppm1 8.680 ppm2 1.498 CV 1 ASSI { 123} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1775 and name HB2 )) 3.800 1.800 1.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.15778E-02 ppm1 8.680 ppm2 1.352 CV 1 ASSI { 124} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1776 and name HB3 )) 3.500 1.600 1.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.18085E-02 ppm1 8.680 ppm2 1.179 CV 1 ASSI { 127} (( segid " " and resid 1776 and name H )) ( segid " " and resid 1776 and name HD1%) 3.700 1.700 1.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.16131E-02 ppm1 8.679 ppm2 0.800 CV 1 ASSI { 129} (( segid " " and resid 1806 and name H )) ( segid " " and resid 1804 and name HG2%) 3.300 1.400 1.400 peak 129 spectrum 1 weight 0.10000E+01 volume 0.50722E-03 ppm1 7.952 ppm2 1.295 CV 1 ASSI { 130} (( segid " " and resid 1806 and name H )) ( segid " " and resid 1807 and name HG2%) 3.900 1.900 1.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.10498E-02 ppm1 7.955 ppm2 1.064 CV 1 ASSI { 132} (( segid " " and resid 1727 and name H )) ( segid " " and resid 1719 and name HB% ) 3.000 1.200 1.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.17108E-02 ppm1 7.715 ppm2 1.467 CV 1 ASSI { 133} (( segid " " and resid 1727 and name H )) (( segid " " and resid 1727 and name HG )) 4.100 2.100 1.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.86479E-03 ppm1 7.715 ppm2 1.355 CV 1 ASSI { 134} (( segid " " and resid 1727 and name H )) (( segid " " and resid 1727 and name HB2 )) 2.900 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.31472E-02 ppm1 7.714 ppm2 1.221 CV 1 ASSI { 136} (( segid " " and resid 1674 and name H )) ( segid " " and resid 1742 and name HG2%) 4.100 2.100 1.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.76496E-03 ppm1 7.888 ppm2 1.315 CV 1 ASSI { 137} (( segid " " and resid 1796 and name H )) (( segid " " and resid 1796 and name HB2 )) 2.400 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.52094E-02 ppm1 8.178 ppm2 1.573 CV 1 ASSI { 140} (( segid " " and resid 1744 and name H )) (( segid " " and resid 1743 and name HB2 )) 2.700 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.22118E-02 ppm1 8.088 ppm2 1.750 CV 1 ASSI { 141} (( segid " " and resid 1805 and name H )) ( segid " " and resid 1804 and name HG2%) 3.000 1.200 1.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.15716E-02 ppm1 8.047 ppm2 1.291 CV 1 ASSI { 142} (( segid " " and resid 1720 and name H )) (( segid " " and resid 1719 and name H )) 2.500 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.38457E-02 ppm1 8.340 ppm2 7.927 CV 1 ASSI { 144} (( segid " " and resid 1804 and name H )) (( segid " " and resid 1803 and name H )) 2.700 0.900 0.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.25797E-02 ppm1 8.529 ppm2 8.347 CV 1 ASSI { 146} (( segid " " and resid 1803 and name H )) (( segid " " and resid 1802 and name HA )) 3.000 1.100 1.100 peak 146 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 8.341 ppm2 4.248 CV 1 ASSI { 147} (( segid " " and resid 1803 and name H )) (( segid " " and resid 1771 and name HB2 )) 3.800 1.800 1.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.84607E-03 ppm1 8.343 ppm2 4.081 CV 1 ASSI { 148} (( segid " " and resid 1703 and name H )) (( segid " " and resid 1700 and name HA )) 3.100 1.200 1.200 peak 148 spectrum 1 weight 0.10000E+01 volume 0.20475E-02 ppm1 8.428 ppm2 3.981 CV 1 ASSI { 152} (( segid " " and resid 1706 and name H )) (( segid " " and resid 1703 and name HA )) 3.100 1.200 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.19582E-02 ppm1 8.467 ppm2 3.841 CV 1 ASSI { 155} (( segid " " and resid 1803 and name H )) (( segid " " and resid 1803 and name HG2 )) 4.500 2.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.68596E-03 ppm1 8.341 ppm2 2.483 CV 1 ASSI { 156} (( segid " " and resid 1803 and name H )) (( segid " " and resid 1802 and name HB2 )) 2.900 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.28167E-02 ppm1 8.340 ppm2 2.244 CV 1 ASSI { 157} (( segid " " and resid 1803 and name H )) (( segid " " and resid 1803 and name HB3 )) 3.100 1.200 1.200 peak 157 spectrum 1 weight 0.10000E+01 volume 0.47188E-02 ppm1 8.341 ppm2 2.065 CV 1 ASSI { 158} (( segid " " and resid 1804 and name H )) (( segid " " and resid 1803 and name HB2 )) 3.000 1.100 1.100 peak 158 spectrum 1 weight 0.10000E+01 volume 0.21557E-02 ppm1 8.528 ppm2 2.123 CV 1 ASSI { 159} (( segid " " and resid 1804 and name H )) ( segid " " and resid 1804 and name HG2%) 3.000 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.20601E-02 ppm1 8.529 ppm2 1.292 CV 1 ASSI { 160} (( segid " " and resid 1804 and name H )) ( segid " " and resid 1713 and name HD1%) 3.600 1.600 1.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.11890E-02 ppm1 8.529 ppm2 1.002 CV 1 ASSI { 161} (( segid " " and resid 1804 and name H )) ( segid " " and resid 1800 and name HG2%) 3.900 1.900 1.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.64441E-03 ppm1 8.528 ppm2 0.889 CV 1 ASSI { 162} (( segid " " and resid 1706 and name H )) (( segid " " and resid 1706 and name HB )) 2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.52987E-02 ppm1 8.467 ppm2 2.082 CV 1 ASSI { 165} (( segid " " and resid 1706 and name H )) ( segid " " and resid 1706 and name HG1%) 3.400 1.400 1.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.25714E-02 ppm1 8.467 ppm2 0.912 CV 1 ASSI { 166} (( segid " " and resid 1802 and name H )) (( segid " " and resid 1803 and name H )) 2.600 0.900 0.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.28271E-02 ppm1 8.480 ppm2 8.346 CV 1 ASSI { 168} (( segid " " and resid 1802 and name H )) (( segid " " and resid 1801 and name HA )) 3.200 1.300 1.300 peak 168 spectrum 1 weight 0.10000E+01 volume 0.14967E-02 ppm1 8.480 ppm2 4.082 CV 1 ASSI { 173} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1799 and name H )) 2.600 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.35048E-02 ppm1 8.546 ppm2 8.181 CV 1 ASSI { 174} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1801 and name H )) 2.600 0.900 0.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.32325E-02 ppm1 8.546 ppm2 8.093 CV 1 ASSI { 176} (( segid " " and resid 1798 and name H )) (( segid " " and resid 1797 and name H )) 2.600 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.36690E-02 ppm1 8.200 ppm2 7.950 CV 1 ASSI { 177} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1797 and name HA )) 3.200 1.300 1.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.17545E-02 ppm1 8.546 ppm2 3.980 CV 1 ASSI { 178} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1799 and name HA )) 3.400 1.400 1.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.11890E-02 ppm1 8.545 ppm2 4.233 CV 1 ASSI { 180} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1800 and name HB )) 2.300 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.63194E-02 ppm1 8.546 ppm2 2.277 CV 1 ASSI { 183} (( segid " " and resid 1800 and name H )) ( segid " " and resid 1775 and name HD2%) 2.800 1.000 1.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.31452E-02 ppm1 8.546 ppm2 0.885 CV 1 ASSI { 184} (( segid " " and resid 1799 and name H )) ( segid " " and resid 1800 and name HG1%) 4.100 2.100 1.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.75666E-03 ppm1 8.171 ppm2 0.983 CV 1 ASSI { 185} (( segid " " and resid 1799 and name H )) ( segid " " and resid 1775 and name HD2%) 4.200 2.200 1.800 peak 185 spectrum 1 weight 0.10000E+01 volume 0.71509E-03 ppm1 8.169 ppm2 0.879 CV 1 ASSI { 187} (( segid " " and resid 1799 and name H )) ( segid " " and resid 1778 and name HG2%) 4.100 2.100 1.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.41991E-03 ppm1 8.171 ppm2 1.265 CV 1 ASSI { 188} (( segid " " and resid 1800 and name H )) ( segid " " and resid 1717 and name HB% ) 4.900 3.000 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.38457E-03 ppm1 8.548 ppm2 1.465 CV 1 ASSI { 189} (( segid " " and resid 1799 and name H )) (( segid " " and resid 1774 and name HG3 )) 4.400 2.400 1.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.49890E-03 ppm1 8.168 ppm2 2.447 CV 1 ASSI { 190} (( segid " " and resid 1799 and name H )) (( segid " " and resid 1798 and name HG2 )) 3.500 1.500 1.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.17711E-02 ppm1 8.170 ppm2 2.266 CV 1 ASSI { 192} (( segid " " and resid 1799 and name H )) (( segid " " and resid 1798 and name HA )) 3.300 1.300 1.300 peak 192 spectrum 1 weight 0.10000E+01 volume 0.14260E-02 ppm1 8.169 ppm2 4.101 CV 1 ASSI { 193} (( segid " " and resid 1799 and name H )) (( segid " " and resid 1797 and name HA )) 4.000 2.000 2.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.41991E-03 ppm1 8.168 ppm2 3.982 CV 1 ASSI { 196} (( segid " " and resid 1822 and name H )) (( segid " " and resid 1822 and name HA2 )) 3.000 1.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.23511E-02 ppm1 7.842 ppm2 3.780 CV 1 OR { 196} (( segid " " and resid 1822 and name H )) (( segid " " and resid 1822 and name HA3 )) ASSI { 197} (( segid " " and resid 1804 and name H )) (( segid " " and resid 1800 and name HA )) 4.100 2.100 1.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.39704E-03 ppm1 8.528 ppm2 3.410 CV 1 ASSI { 198} (( segid " " and resid 1802 and name H )) (( segid " " and resid 1801 and name H )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.35131E-02 ppm1 8.480 ppm2 8.091 CV 1 ASSI { 200} (( segid " " and resid 1797 and name H )) (( segid " " and resid 1794 and name HA )) 3.100 1.200 1.200 peak 200 spectrum 1 weight 0.10000E+01 volume 0.16672E-02 ppm1 7.944 ppm2 4.070 CV 1 ASSI { 204} (( segid " " and resid 1797 and name H )) (( segid " " and resid 1800 and name HB )) 4.800 2.900 1.200 peak 204 spectrum 1 weight 0.10000E+01 volume 0.25153E-03 ppm1 7.945 ppm2 2.270 CV 1 ASSI { 205} (( segid " " and resid 1797 and name H )) (( segid " " and resid 1796 and name HB3 )) 2.700 0.900 0.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.25901E-02 ppm1 7.944 ppm2 1.891 CV 1 ASSI { 206} (( segid " " and resid 1797 and name H )) (( segid " " and resid 1796 and name HB2 )) 3.400 1.400 1.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.24384E-02 ppm1 7.943 ppm2 1.574 CV 1 ASSI { 207} (( segid " " and resid 1797 and name H )) ( segid " " and resid 1796 and name HD2%) 3.100 3.100 2.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.79409E-03 ppm1 7.944 ppm2 0.848 CV 1 ASSI { 209} (( segid " " and resid 1796 and name H )) (( segid " " and resid 1797 and name H )) 2.600 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.32345E-02 ppm1 8.178 ppm2 7.948 CV 1 ASSI { 210} (( segid " " and resid 1795 and name H )) (( segid " " and resid 1796 and name H )) 2.600 0.800 0.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.36461E-02 ppm1 8.034 ppm2 8.188 CV 1 ASSI { 211} (( segid " " and resid 1795 and name H )) (( segid " " and resid 1794 and name H )) 2.600 0.800 0.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.39600E-02 ppm1 8.034 ppm2 8.446 CV 1 ASSI { 214} (( segid " " and resid 1794 and name H )) (( segid " " and resid 1793 and name H )) 2.600 0.800 0.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.37334E-02 ppm1 8.438 ppm2 7.944 CV 1 ASSI { 215} (( segid " " and resid 1672 and name H )) (( segid " " and resid 1673 and name H )) 2.800 1.000 1.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.23781E-02 ppm1 8.458 ppm2 7.761 CV 1 ASSI { 218} (( segid " " and resid 1796 and name H )) (( segid " " and resid 1793 and name HA )) 3.300 1.300 1.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.14510E-02 ppm1 8.178 ppm2 4.026 CV 1 ASSI { 219} (( segid " " and resid 1794 and name H )) (( segid " " and resid 1794 and name HA )) 2.600 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.51387E-02 ppm1 8.437 ppm2 4.065 CV 1 ASSI { 222} (( segid " " and resid 1672 and name H )) (( segid " " and resid 1671 and name HB3 )) 3.000 1.200 1.200 peak 222 spectrum 1 weight 0.10000E+01 volume 0.21785E-02 ppm1 8.458 ppm2 3.242 CV 1 OR { 222} (( segid " " and resid 1672 and name H )) (( segid " " and resid 1671 and name HB2 )) ASSI { 223} (( segid " " and resid 1794 and name H )) (( segid " " and resid 1794 and name HG2 )) 2.600 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.39497E-02 ppm1 8.437 ppm2 2.396 CV 1 ASSI { 225} (( segid " " and resid 1794 and name H )) (( segid " " and resid 1794 and name HB2 )) 2.200 0.600 0.600 peak 225 spectrum 1 weight 0.10000E+01 volume 0.80075E-02 ppm1 8.437 ppm2 2.076 CV 1 ASSI { 226} (( segid " " and resid 1672 and name H )) (( segid " " and resid 1672 and name HB2 )) 2.400 0.700 0.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.40952E-02 ppm1 8.457 ppm2 1.936 CV 1 ASSI { 228} (( segid " " and resid 1665 and name H )) (( segid " " and resid 1665 and name HG12)) 3.500 1.500 1.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.24696E-02 ppm1 8.420 ppm2 1.698 CV 1 ASSI { 229} (( segid " " and resid 1672 and name H )) (( segid " " and resid 1672 and name HG )) 3.200 1.300 1.300 peak 229 spectrum 1 weight 0.10000E+01 volume 0.52863E-02 ppm1 8.457 ppm2 1.624 CV 1 ASSI { 232} (( segid " " and resid 1672 and name H )) ( segid " " and resid 1672 and name HD1%) 4.300 2.300 1.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.94998E-03 ppm1 8.457 ppm2 0.989 CV 1 ASSI { 234} (( segid " " and resid 1665 and name H )) (( segid " " and resid 1665 and name HG13)) 3.100 1.200 1.200 peak 234 spectrum 1 weight 0.10000E+01 volume 0.14676E-02 ppm1 8.420 ppm2 0.598 CV 1 ASSI { 237} (( segid " " and resid 1789 and name H )) (( segid " " and resid 1788 and name HA )) 2.600 0.800 0.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.52135E-02 ppm1 8.478 ppm2 4.381 CV 1 ASSI { 238} (( segid " " and resid 1789 and name H )) (( segid " " and resid 1789 and name HA )) 3.000 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.22804E-02 ppm1 8.477 ppm2 4.256 CV 1 ASSI { 239} (( segid " " and resid 1789 and name H )) (( segid " " and resid 1788 and name HB2 )) 3.800 1.800 1.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.85022E-03 ppm1 8.477 ppm2 2.301 CV 1 ASSI { 240} (( segid " " and resid 1789 and name H )) (( segid " " and resid 1788 and name HB3 )) 3.700 1.700 1.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.96250E-03 ppm1 8.477 ppm2 2.141 CV 1 ASSI { 241} (( segid " " and resid 1789 and name H )) ( segid " " and resid 1789 and name HB% ) 2.600 0.800 0.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.58517E-02 ppm1 8.478 ppm2 1.501 CV 1 ASSI { 242} (( segid " " and resid 1790 and name H )) (( segid " " and resid 1789 and name HA )) 3.100 1.200 1.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.16464E-02 ppm1 8.384 ppm2 4.259 CV 1 ASSI { 243} (( segid " " and resid 1790 and name H )) ( segid " " and resid 1790 and name HB% ) 2.900 1.000 1.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.37480E-02 ppm1 8.385 ppm2 1.483 CV 1 ASSI { 244} (( segid " " and resid 1788 and name H )) (( segid " " and resid 1789 and name H )) 3.300 1.300 1.300 peak 244 spectrum 1 weight 0.10000E+01 volume 0.10789E-02 ppm1 7.949 ppm2 8.486 CV 1 ASSI { 245} (( segid " " and resid 1788 and name H )) (( segid " " and resid 1787 and name H )) 3.000 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.14988E-02 ppm1 7.948 ppm2 8.101 CV 1 ASSI { 248} (( segid " " and resid 1787 and name H )) (( segid " " and resid 1786 and name HA )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.34029E-02 ppm1 8.091 ppm2 4.580 CV 1 ASSI { 249} (( segid " " and resid 1787 and name H )) (( segid " " and resid 1787 and name HA )) 2.700 0.900 0.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.41430E-02 ppm1 8.092 ppm2 4.364 CV 1 ASSI { 252} (( segid " " and resid 1729 and name H )) (( segid " " and resid 1728 and name HA3 )) 3.200 1.300 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.10955E-02 ppm1 7.954 ppm2 3.819 CV 1 ASSI { 253} (( segid " " and resid 1787 and name H )) (( segid " " and resid 1787 and name HE3 )) 4.400 2.400 1.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.43654E-03 ppm1 8.093 ppm2 3.061 CV 1 ASSI { 254} (( segid " " and resid 1787 and name H )) (( segid " " and resid 1786 and name HB3 )) 3.900 1.900 1.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.96665E-03 ppm1 8.092 ppm2 2.432 CV 1 ASSI { 255} (( segid " " and resid 1787 and name H )) (( segid " " and resid 1786 and name HG2 )) 3.400 1.500 1.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.14364E-02 ppm1 8.092 ppm2 2.130 CV 1 OR { 255} (( segid " " and resid 1787 and name H )) (( segid " " and resid 1786 and name HG3 )) ASSI { 256} (( segid " " and resid 1787 and name H )) (( segid " " and resid 1786 and name HB2 )) 3.300 1.400 1.400 peak 256 spectrum 1 weight 0.10000E+01 volume 0.11558E-02 ppm1 8.092 ppm2 2.051 CV 1 ASSI { 257} (( segid " " and resid 1787 and name H )) (( segid " " and resid 1787 and name HB2 )) 2.600 0.900 0.900 peak 257 spectrum 1 weight 0.10000E+01 volume 0.26234E-02 ppm1 8.092 ppm2 1.944 CV 1 ASSI { 258} (( segid " " and resid 1787 and name H )) (( segid " " and resid 1787 and name HB3 )) 3.200 1.200 1.200 peak 258 spectrum 1 weight 0.10000E+01 volume 0.45317E-02 ppm1 8.092 ppm2 1.813 CV 1 ASSI { 259} (( segid " " and resid 1787 and name H )) (( segid " " and resid 1787 and name HG3 )) 2.900 1.100 1.100 peak 259 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 8.091 ppm2 1.518 CV 1 ASSI { 260} (( segid " " and resid 1787 and name H )) (( segid " " and resid 1787 and name HG2 )) 3.500 1.600 1.600 peak 260 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 8.092 ppm2 1.447 CV 1 ASSI { 262} (( segid " " and resid 1783 and name H )) (( segid " " and resid 1782 and name H )) 2.600 0.800 0.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.27336E-02 ppm1 8.551 ppm2 8.075 CV 1 ASSI { 263} (( segid " " and resid 1783 and name H )) (( segid " " and resid 1784 and name H )) 3.600 1.700 1.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.13949E-02 ppm1 8.552 ppm2 8.448 CV 1 ASSI { 264} (( segid " " and resid 1785 and name H )) (( segid " " and resid 1784 and name H )) 2.600 0.800 0.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.41056E-02 ppm1 7.661 ppm2 8.448 CV 1 ASSI { 266} (( segid " " and resid 1785 and name H )) (( segid " " and resid 1785 and name HA )) 2.800 1.000 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.26359E-02 ppm1 7.662 ppm2 5.016 CV 1 ASSI { 267} (( segid " " and resid 1785 and name H )) (( segid " " and resid 1782 and name HA )) 3.400 1.500 1.500 peak 267 spectrum 1 weight 0.10000E+01 volume 0.86894E-03 ppm1 7.661 ppm2 4.045 CV 1 ASSI { 269} (( segid " " and resid 1785 and name H )) (( segid " " and resid 1784 and name HA2 )) 2.800 1.000 1.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.29976E-02 ppm1 7.662 ppm2 3.776 CV 1 ASSI { 270} (( segid " " and resid 1785 and name H )) (( segid " " and resid 1783 and name HA2 )) 4.800 2.900 1.200 peak 270 spectrum 1 weight 0.10000E+01 volume 0.28479E-03 ppm1 7.654 ppm2 3.658 CV 1 ASSI { 272} (( segid " " and resid 1784 and name H )) (( segid " " and resid 1784 and name HA2 )) 2.300 0.700 0.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.78871E-02 ppm1 8.439 ppm2 3.777 CV 1 OR { 272} (( segid " " and resid 1784 and name H )) (( segid " " and resid 1784 and name HA3 )) ASSI { 273} (( segid " " and resid 1784 and name H )) (( segid " " and resid 1783 and name HA2 )) 2.900 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 8.440 ppm2 3.662 CV 1 ASSI { 275} (( segid " " and resid 1785 and name H )) (( segid " " and resid 1785 and name HB2 )) 2.800 1.000 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.38831E-02 ppm1 7.662 ppm2 2.837 CV 1 ASSI { 276} (( segid " " and resid 1784 and name H )) ( segid " " and resid 1782 and name HB% ) 3.100 1.200 1.200 peak 276 spectrum 1 weight 0.10000E+01 volume 0.19499E-02 ppm1 8.439 ppm2 1.511 CV 1 ASSI { 277} (( segid " " and resid 1784 and name H )) ( segid " " and resid 1727 and name HD2%) 3.300 1.400 1.400 peak 277 spectrum 1 weight 0.10000E+01 volume 0.11413E-02 ppm1 8.440 ppm2 0.769 CV 1 ASSI { 278} (( segid " " and resid 1785 and name H )) ( segid " " and resid 1782 and name HB% ) 3.600 1.600 1.600 peak 278 spectrum 1 weight 0.10000E+01 volume 0.86894E-03 ppm1 7.661 ppm2 1.504 CV 1 ASSI { 280} (( segid " " and resid 1783 and name H )) ( segid " " and resid 1782 and name HB% ) 2.800 1.000 1.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.39455E-02 ppm1 8.552 ppm2 1.501 CV 1 ASSI { 281} (( segid " " and resid 1783 and name H )) (( segid " " and resid 1783 and name HA3 )) 2.400 0.700 0.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.46024E-02 ppm1 8.552 ppm2 3.795 CV 1 ASSI { 282} (( segid " " and resid 1783 and name H )) (( segid " " and resid 1783 and name HA2 )) 2.700 0.900 0.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.46377E-02 ppm1 8.551 ppm2 3.654 CV 1 ASSI { 283} (( segid " " and resid 1782 and name H )) (( segid " " and resid 1781 and name H )) 2.500 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.38000E-02 ppm1 8.067 ppm2 7.403 CV 1 ASSI { 285} (( segid " " and resid 1781 and name H )) (( segid " " and resid 1780 and name H )) 2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.28583E-02 ppm1 7.396 ppm2 8.406 CV 1 ASSI { 286} (( segid " " and resid 1780 and name H )) (( segid " " and resid 1782 and name H )) 3.700 1.700 1.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.74210E-03 ppm1 8.400 ppm2 8.090 CV 1 ASSI { 288} (( segid " " and resid 1780 and name H )) (( segid " " and resid 1779 and name H )) 2.700 0.900 0.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.27232E-02 ppm1 8.398 ppm2 9.204 CV 1 ASSI { 291} (( segid " " and resid 1780 and name H )) (( segid " " and resid 1778 and name HA )) 3.700 1.700 1.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.64441E-03 ppm1 8.399 ppm2 4.083 CV 1 ASSI { 293} (( segid " " and resid 1780 and name H )) (( segid " " and resid 1780 and name HB2 )) 2.500 0.800 0.800 peak 293 spectrum 1 weight 0.10000E+01 volume 0.39393E-02 ppm1 8.398 ppm2 2.082 CV 1 ASSI { 294} (( segid " " and resid 1780 and name H )) (( segid " " and resid 1780 and name HB3 )) 2.500 0.800 0.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.41908E-02 ppm1 8.398 ppm2 1.931 CV 1 ASSI { 295} (( segid " " and resid 1780 and name H )) (( segid " " and resid 1780 and name HG2 )) 4.000 2.000 2.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 8.398 ppm2 1.619 CV 1 ASSI { 297} (( segid " " and resid 1781 and name H )) (( segid " " and resid 1780 and name HB3 )) 2.900 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.12120E-02 ppm1 7.397 ppm2 1.930 CV 1 ASSI { 298} (( segid " " and resid 1781 and name H )) (( segid " " and resid 1780 and name HG2 )) 3.700 1.700 1.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.64026E-03 ppm1 7.396 ppm2 1.619 CV 1 ASSI { 299} (( segid " " and resid 1782 and name H )) (( segid " " and resid 1781 and name HB2 )) 2.400 0.700 0.700 peak 299 spectrum 1 weight 0.10000E+01 volume 0.44589E-02 ppm1 8.068 ppm2 2.165 CV 1 ASSI { 302} (( segid " " and resid 1780 and name H )) ( segid " " and resid 1796 and name HD1%) 4.300 2.300 1.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.60908E-03 ppm1 8.398 ppm2 0.797 CV 1 ASSI { 303} (( segid " " and resid 1678 and name H )) ( segid " " and resid 1762 and name HD1%) 4.400 2.400 1.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.82110E-03 ppm1 8.102 ppm2 0.765 CV 1 ASSI { 304} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1778 and name H )) 2.700 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.30786E-02 ppm1 9.196 ppm2 8.110 CV 1 ASSI { 306} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1779 and name HA )) 2.500 0.800 0.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.53196E-02 ppm1 9.196 ppm2 3.954 CV 1 ASSI { 307} (( segid " " and resid 1779 and name H )) ( segid " " and resid 1775 and name HD2%) 3.300 1.300 1.300 peak 307 spectrum 1 weight 0.10000E+01 volume 0.15965E-02 ppm1 9.196 ppm2 0.864 CV 1 ASSI { 308} (( segid " " and resid 1779 and name H )) ( segid " " and resid 1796 and name HD1%) 3.200 1.300 1.300 peak 308 spectrum 1 weight 0.10000E+01 volume 0.15424E-02 ppm1 9.196 ppm2 0.816 CV 1 ASSI { 309} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1780 and name HB3 )) 4.600 2.600 1.400 peak 309 spectrum 1 weight 0.10000E+01 volume 0.49890E-03 ppm1 9.197 ppm2 1.946 CV 1 ASSI { 310} (( segid " " and resid 1779 and name H )) ( segid " " and resid 1720 and name HB% ) 4.200 2.200 1.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.12327E-02 ppm1 9.196 ppm2 1.543 CV 1 ASSI { 315} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1780 and name H )) 4.200 2.200 1.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.33676E-03 ppm1 8.102 ppm2 8.406 CV 1 ASSI { 316} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1777 and name HA )) 3.400 1.400 1.400 peak 316 spectrum 1 weight 0.10000E+01 volume 0.10789E-02 ppm1 8.104 ppm2 4.218 CV 1 ASSI { 317} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1778 and name HA )) 2.600 0.800 0.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.44402E-02 ppm1 8.104 ppm2 4.084 CV 1 ASSI { 318} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1777 and name HB3 )) 3.000 1.100 1.100 peak 318 spectrum 1 weight 0.10000E+01 volume 0.15196E-02 ppm1 8.104 ppm2 3.149 CV 1 ASSI { 319} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1777 and name HB2 )) 3.000 1.100 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.18584E-02 ppm1 8.104 ppm2 3.072 CV 1 ASSI { 320} (( segid " " and resid 1778 and name H )) ( segid " " and resid 1779 and name HB% ) 4.400 2.400 1.600 peak 320 spectrum 1 weight 0.10000E+01 volume 0.69222E-03 ppm1 8.104 ppm2 1.350 CV 1 ASSI { 322} (( segid " " and resid 1778 and name H )) ( segid " " and resid 1775 and name HD2%) 4.300 2.300 1.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.54879E-03 ppm1 8.105 ppm2 0.868 CV 1 ASSI { 323} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1777 and name H )) 2.800 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.19478E-02 ppm1 8.680 ppm2 8.885 CV 1 ASSI { 324} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1775 and name H )) 2.600 0.900 0.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.27253E-02 ppm1 8.680 ppm2 8.142 CV 1 ASSI { 328} (( segid " " and resid 1777 and name H )) (( segid " " and resid 1778 and name H )) 2.700 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.30017E-02 ppm1 8.877 ppm2 8.114 CV 1 ASSI { 331} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1774 and name H )) 4.500 2.500 1.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.30558E-03 ppm1 8.681 ppm2 7.616 CV 1 ASSI { 332} (( segid " " and resid 1778 and name H )) ( segid " " and resid 1777 and name HD% ) 5.300 3.600 0.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.22658E-03 ppm1 8.103 ppm2 7.165 CV 1 ASSI { 335} (( segid " " and resid 1777 and name H )) (( segid " " and resid 1777 and name HA )) 2.600 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.36607E-02 ppm1 8.876 ppm2 4.214 CV 1 ASSI { 336} (( segid " " and resid 1777 and name H )) (( segid " " and resid 1777 and name HB3 )) 3.500 1.600 1.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.30266E-02 ppm1 8.877 ppm2 3.148 CV 1 ASSI { 337} (( segid " " and resid 1777 and name H )) (( segid " " and resid 1777 and name HB2 )) 2.300 0.700 0.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.40266E-02 ppm1 8.877 ppm2 3.072 CV 1 ASSI { 338} (( segid " " and resid 1777 and name H )) (( segid " " and resid 1776 and name HB2 )) 2.600 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.25403E-02 ppm1 8.877 ppm2 1.959 CV 1 ASSI { 339} (( segid " " and resid 1777 and name H )) ( segid " " and resid 1779 and name HB% ) 4.200 2.200 1.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.46564E-03 ppm1 8.878 ppm2 1.349 CV 1 ASSI { 340} (( segid " " and resid 1777 and name H )) ( segid " " and resid 1778 and name HG2%) 4.700 2.700 1.300 peak 340 spectrum 1 weight 0.10000E+01 volume 0.47395E-03 ppm1 8.877 ppm2 1.260 CV 1 ASSI { 341} (( segid " " and resid 1777 and name H )) (( segid " " and resid 1776 and name HB3 )) 3.700 1.700 1.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.12514E-02 ppm1 8.877 ppm2 1.179 CV 1 ASSI { 342} (( segid " " and resid 1777 and name H )) ( segid " " and resid 1773 and name HD2%) 4.100 2.100 1.900 peak 342 spectrum 1 weight 0.10000E+01 volume 0.10706E-02 ppm1 8.877 ppm2 0.821 CV 1 ASSI { 343} (( segid " " and resid 1777 and name H )) (( segid " " and resid 1773 and name HG )) 4.500 2.500 1.500 peak 343 spectrum 1 weight 0.10000E+01 volume 0.30973E-03 ppm1 8.877 ppm2 1.558 CV 1 ASSI { 344} (( segid " " and resid 1777 and name H )) (( segid " " and resid 1665 and name HG13)) 4.600 2.700 1.400 peak 344 spectrum 1 weight 0.10000E+01 volume 0.26816E-03 ppm1 8.879 ppm2 0.597 CV 1 ASSI { 346} (( segid " " and resid 1775 and name H )) (( segid " " and resid 1774 and name H )) 2.700 0.900 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.25298E-02 ppm1 8.138 ppm2 7.614 CV 1 ASSI { 350} (( segid " " and resid 1774 and name H )) (( segid " " and resid 1772 and name H )) 4.300 2.300 1.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.28687E-03 ppm1 7.604 ppm2 8.491 CV 1 ASSI { 351} (( segid " " and resid 1774 and name H )) (( segid " " and resid 1774 and name HA )) 2.600 0.800 0.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.37418E-02 ppm1 7.608 ppm2 4.272 CV 1 ASSI { 352} (( segid " " and resid 1774 and name H )) (( segid " " and resid 1770 and name HA )) 3.700 1.700 1.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.57998E-03 ppm1 7.608 ppm2 3.973 CV 1 ASSI { 356} (( segid " " and resid 1775 and name H )) (( segid " " and resid 1775 and name HA )) 2.800 1.000 1.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.23760E-02 ppm1 8.139 ppm2 3.995 CV 1 ASSI { 359} (( segid " " and resid 1774 and name H )) (( segid " " and resid 1774 and name HB3 )) 2.300 0.700 0.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.68617E-02 ppm1 7.608 ppm2 2.259 CV 1 OR { 359} (( segid " " and resid 1774 and name H )) (( segid " " and resid 1774 and name HB2 )) ASSI { 360} (( segid " " and resid 1775 and name H )) (( segid " " and resid 1775 and name HB3 )) 2.500 0.800 0.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.36836E-02 ppm1 8.138 ppm2 2.327 CV 1 ASSI { 362} (( segid " " and resid 1774 and name H )) (( segid " " and resid 1773 and name HG )) 3.900 1.900 1.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.72550E-03 ppm1 7.608 ppm2 1.557 CV 1 ASSI { 363} (( segid " " and resid 1774 and name H )) (( segid " " and resid 1775 and name HB2 )) 4.900 2.900 1.100 peak 363 spectrum 1 weight 0.10000E+01 volume 0.39289E-03 ppm1 7.611 ppm2 1.346 CV 1 ASSI { 365} (( segid " " and resid 1774 and name H )) ( segid " " and resid 1773 and name HD1%) 4.700 2.800 1.300 peak 365 spectrum 1 weight 0.10000E+01 volume 0.51969E-03 ppm1 7.608 ppm2 0.913 CV 1 ASSI { 366} (( segid " " and resid 1774 and name H )) ( segid " " and resid 1773 and name HD2%) 4.800 2.900 1.200 peak 366 spectrum 1 weight 0.10000E+01 volume 0.44693E-03 ppm1 7.609 ppm2 0.828 CV 1 ASSI { 367} (( segid " " and resid 1775 and name H )) ( segid " " and resid 1799 and name HB% ) 3.200 1.300 1.300 peak 367 spectrum 1 weight 0.10000E+01 volume 0.16131E-02 ppm1 8.141 ppm2 1.566 CV 1 ASSI { 369} (( segid " " and resid 1775 and name H )) (( segid " " and resid 1775 and name HB2 )) 2.500 0.800 0.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.33738E-02 ppm1 8.139 ppm2 1.351 CV 1 ASSI { 371} (( segid " " and resid 1775 and name H )) ( segid " " and resid 1775 and name HD2%) 4.000 2.000 2.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.13949E-02 ppm1 8.139 ppm2 0.877 CV 1 ASSI { 372} (( segid " " and resid 1775 and name H )) (( segid " " and resid 1776 and name HG )) 4.200 2.300 1.800 peak 372 spectrum 1 weight 0.10000E+01 volume 0.62571E-03 ppm1 8.140 ppm2 1.957 CV 1 OR { 372} (( segid " " and resid 1775 and name H )) (( segid " " and resid 1776 and name HB2 )) ASSI { 373} (( segid " " and resid 1773 and name H )) (( segid " " and resid 1774 and name H )) 2.600 0.900 0.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.25984E-02 ppm1 8.115 ppm2 7.615 CV 1 ASSI { 374} (( segid " " and resid 1773 and name H )) (( segid " " and resid 1772 and name H )) 2.600 0.800 0.800 peak 374 spectrum 1 weight 0.10000E+01 volume 0.28729E-02 ppm1 8.115 ppm2 8.482 CV 1 ASSI { 377} (( segid " " and resid 1772 and name H )) (( segid " " and resid 1770 and name H )) 4.200 2.200 1.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.33260E-03 ppm1 8.471 ppm2 9.234 CV 1 ASSI { 380} (( segid " " and resid 1772 and name H )) (( segid " " and resid 1771 and name HA )) 3.500 1.500 1.500 peak 380 spectrum 1 weight 0.10000E+01 volume 0.88139E-03 ppm1 8.473 ppm2 4.333 CV 1 ASSI { 381} (( segid " " and resid 1772 and name H )) (( segid " " and resid 1771 and name HB2 )) 3.200 1.300 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.13013E-02 ppm1 8.473 ppm2 4.085 CV 1 ASSI { 382} (( segid " " and resid 1773 and name H )) (( segid " " and resid 1772 and name HA )) 3.600 1.600 1.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.67767E-03 ppm1 8.114 ppm2 4.497 CV 1 ASSI { 384} (( segid " " and resid 1773 and name H )) (( segid " " and resid 1769 and name HA )) 3.900 1.900 1.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.48227E-03 ppm1 8.114 ppm2 3.848 CV 1 ASSI { 386} (( segid " " and resid 1772 and name H )) (( segid " " and resid 1770 and name HB2 )) 4.900 3.000 1.100 peak 386 spectrum 1 weight 0.10000E+01 volume 0.30766E-03 ppm1 8.471 ppm2 2.267 CV 1 ASSI { 388} (( segid " " and resid 1772 and name H )) (( segid " " and resid 1773 and name HB2 )) 4.500 2.600 1.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.60700E-03 ppm1 8.472 ppm2 1.757 CV 1 OR { 388} (( segid " " and resid 1772 and name H )) (( segid " " and resid 1773 and name HB3 )) ASSI { 389} (( segid " " and resid 1772 and name H )) ( segid " " and resid 1806 and name HB% ) 4.900 3.000 1.100 peak 389 spectrum 1 weight 0.10000E+01 volume 0.30973E-03 ppm1 8.472 ppm2 1.587 CV 1 ASSI { 391} (( segid " " and resid 1772 and name H )) ( segid " " and resid 1768 and name HD1%) 4.000 2.000 2.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.53840E-03 ppm1 8.474 ppm2 1.050 CV 1 ASSI { 392} (( segid " " and resid 1772 and name H )) ( segid " " and resid 1768 and name HD2%) 4.800 2.900 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.38457E-03 ppm1 8.474 ppm2 0.905 CV 1 ASSI { 393} (( segid " " and resid 1773 and name H )) (( segid " " and resid 1774 and name HB3 )) 4.400 2.400 1.600 peak 393 spectrum 1 weight 0.10000E+01 volume 0.65065E-03 ppm1 8.115 ppm2 2.258 CV 1 OR { 393} (( segid " " and resid 1773 and name H )) (( segid " " and resid 1774 and name HB2 )) ASSI { 394} (( segid " " and resid 1773 and name H )) ( segid " " and resid 1803 and name HE% ) 5.600 3.900 0.400 peak 394 spectrum 1 weight 0.10000E+01 volume 0.24321E-03 ppm1 8.116 ppm2 2.063 CV 1 ASSI { 400} (( segid " " and resid 1772 and name H )) ( segid " " and resid 1668 and name HD2%) 4.700 2.800 1.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.40952E-03 ppm1 8.475 ppm2 0.368 CV 1 ASSI { 401} (( segid " " and resid 1772 and name H )) ( segid " " and resid 1668 and name HD1%) 4.700 2.700 1.300 peak 401 spectrum 1 weight 0.10000E+01 volume 0.43030E-03 ppm1 8.473 ppm2 0.230 CV 1 ASSI { 404} (( segid " " and resid 1771 and name H )) (( segid " " and resid 1770 and name H )) 2.600 0.900 0.900 peak 404 spectrum 1 weight 0.10000E+01 volume 0.30371E-02 ppm1 8.537 ppm2 9.232 CV 1 ASSI { 405} (( segid " " and resid 1771 and name H )) (( segid " " and resid 1773 and name H )) 4.500 2.500 1.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.37834E-03 ppm1 8.537 ppm2 8.127 CV 1 ASSI { 406} (( segid " " and resid 1771 and name H )) (( segid " " and resid 1771 and name HA )) 2.700 0.900 0.900 peak 406 spectrum 1 weight 0.10000E+01 volume 0.33655E-02 ppm1 8.537 ppm2 4.332 CV 1 ASSI { 408} (( segid " " and resid 1771 and name H )) (( segid " " and resid 1770 and name HA )) 3.700 1.700 1.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.72135E-03 ppm1 8.536 ppm2 3.967 CV 1 ASSI { 409} (( segid " " and resid 1771 and name H )) (( segid " " and resid 1771 and name HB3 )) 3.000 1.200 1.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.24238E-02 ppm1 8.538 ppm2 3.838 CV 1 ASSI { 412} (( segid " " and resid 1770 and name H )) (( segid " " and resid 1769 and name HA )) 3.100 1.200 1.200 peak 412 spectrum 1 weight 0.10000E+01 volume 0.15362E-02 ppm1 9.224 ppm2 3.845 CV 1 ASSI { 413} (( segid " " and resid 1771 and name H )) (( segid " " and resid 1770 and name HG2 )) 4.800 2.800 1.200 peak 413 spectrum 1 weight 0.10000E+01 volume 0.59037E-03 ppm1 8.538 ppm2 2.564 CV 1 ASSI { 414} (( segid " " and resid 1771 and name H )) (( segid " " and resid 1770 and name HB2 )) 2.700 0.900 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.25922E-02 ppm1 8.537 ppm2 2.260 CV 1 ASSI { 415} (( segid " " and resid 1771 and name H )) (( segid " " and resid 1770 and name HB3 )) 3.600 1.600 1.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.16006E-02 ppm1 8.536 ppm2 2.065 CV 1 ASSI { 416} (( segid " " and resid 1771 and name H )) (( segid " " and resid 1773 and name HB2 )) 4.800 2.900 1.200 peak 416 spectrum 1 weight 0.10000E+01 volume 0.29310E-03 ppm1 8.539 ppm2 1.762 CV 1 OR { 416} (( segid " " and resid 1771 and name H )) (( segid " " and resid 1773 and name HB3 )) ASSI { 417} (( segid " " and resid 1771 and name H )) ( segid " " and resid 1806 and name HB% ) 4.400 2.400 1.600 peak 417 spectrum 1 weight 0.10000E+01 volume 0.47188E-03 ppm1 8.536 ppm2 1.595 CV 1 ASSI { 419} (( segid " " and resid 1770 and name H )) (( segid " " and resid 1770 and name HB2 )) 2.300 0.700 0.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.50534E-02 ppm1 9.224 ppm2 2.258 CV 1 ASSI { 420} (( segid " " and resid 1770 and name H )) (( segid " " and resid 1770 and name HB3 )) 3.600 1.700 1.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.25298E-02 ppm1 9.224 ppm2 2.066 CV 1 ASSI { 421} (( segid " " and resid 1770 and name H )) (( segid " " and resid 1773 and name HB2 )) 4.300 2.300 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.45317E-03 ppm1 9.224 ppm2 1.753 CV 1 OR { 421} (( segid " " and resid 1770 and name H )) (( segid " " and resid 1773 and name HB3 )) ASSI { 422} (( segid " " and resid 1770 and name H )) (( segid " " and resid 1672 and name HG )) 5.100 3.200 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.29103E-03 ppm1 9.226 ppm2 1.604 CV 1 ASSI { 423} (( segid " " and resid 1770 and name H )) (( segid " " and resid 1766 and name HG3 )) 4.800 2.900 1.200 peak 423 spectrum 1 weight 0.10000E+01 volume 0.28063E-03 ppm1 9.225 ppm2 1.493 CV 1 ASSI { 426} (( segid " " and resid 1770 and name H )) ( segid " " and resid 1672 and name HD2%) 3.800 1.800 1.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.81695E-03 ppm1 9.225 ppm2 0.899 CV 1 ASSI { 427} (( segid " " and resid 1770 and name H )) ( segid " " and resid 1675 and name HD1%) 3.500 1.600 1.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.35547E-03 ppm1 9.225 ppm2 0.812 CV 1 ASSI { 428} (( segid " " and resid 1771 and name H )) ( segid " " and resid 1767 and name HG2%) 3.300 1.400 1.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.12930E-02 ppm1 8.537 ppm2 1.302 CV 1 ASSI { 429} (( segid " " and resid 1771 and name H )) ( segid " " and resid 1768 and name HD1%) 4.500 2.500 1.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.35547E-03 ppm1 8.536 ppm2 1.058 CV 1 ASSI { 432} (( segid " " and resid 1769 and name H )) (( segid " " and resid 1768 and name H )) 2.700 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.26109E-02 ppm1 8.498 ppm2 7.750 CV 1 ASSI { 433} (( segid " " and resid 1769 and name H )) (( segid " " and resid 1770 and name H )) 2.700 0.900 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.25111E-02 ppm1 8.498 ppm2 9.232 CV 1 ASSI { 435} (( segid " " and resid 1768 and name H )) (( segid " " and resid 1770 and name H )) 4.100 2.100 1.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.34299E-03 ppm1 7.742 ppm2 9.229 CV 1 ASSI { 437} (( segid " " and resid 1768 and name H )) (( segid " " and resid 1766 and name H )) 4.500 2.600 1.500 peak 437 spectrum 1 weight 0.10000E+01 volume 0.27024E-03 ppm1 7.739 ppm2 8.626 CV 1 ASSI { 438} (( segid " " and resid 1769 and name H )) ( segid " " and resid 1738 and name HE% ) 3.800 1.800 1.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.38873E-03 ppm1 8.496 ppm2 7.055 CV 1 ASSI { 439} (( segid " " and resid 1769 and name H )) (( segid " " and resid 1768 and name HA )) 3.500 1.500 1.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.79198E-03 ppm1 8.500 ppm2 4.121 CV 1 ASSI { 440} (( segid " " and resid 1768 and name H )) (( segid " " and resid 1768 and name HB3 )) 2.500 0.800 0.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.32429E-02 ppm1 7.743 ppm2 2.367 CV 1 ASSI { 441} (( segid " " and resid 1768 and name H )) (( segid " " and resid 1768 and name HG )) 4.100 2.100 1.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.66936E-03 ppm1 7.743 ppm2 1.764 CV 1 ASSI { 442} (( segid " " and resid 1768 and name H )) (( segid " " and resid 1768 and name HB2 )) 2.500 0.800 0.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.35318E-02 ppm1 7.743 ppm2 1.489 CV 1 ASSI { 444} (( segid " " and resid 1769 and name H )) (( segid " " and resid 1768 and name HB3 )) 2.700 0.900 0.900 peak 444 spectrum 1 weight 0.10000E+01 volume 0.21453E-02 ppm1 8.499 ppm2 2.367 CV 1 ASSI { 445} (( segid " " and resid 1769 and name H )) (( segid " " and resid 1768 and name HG )) 3.600 1.600 1.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.62987E-03 ppm1 8.500 ppm2 1.766 CV 1 ASSI { 448} (( segid " " and resid 1768 and name H )) ( segid " " and resid 1768 and name HD1%) 4.300 2.300 1.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.88969E-03 ppm1 7.743 ppm2 1.060 CV 1 ASSI { 451} (( segid " " and resid 1767 and name H )) (( segid " " and resid 1768 and name H )) 2.900 1.000 1.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.21557E-02 ppm1 8.713 ppm2 7.749 CV 1 ASSI { 452} (( segid " " and resid 1767 and name H )) (( segid " " and resid 1765 and name H )) 4.600 2.600 1.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.23906E-03 ppm1 8.712 ppm2 7.895 CV 1 ASSI { 453} (( segid " " and resid 1767 and name H )) (( segid " " and resid 1766 and name H )) 2.700 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.24301E-02 ppm1 8.713 ppm2 8.628 CV 1 ASSI { 454} (( segid " " and resid 1767 and name H )) (( segid " " and resid 1769 and name H )) 4.200 2.200 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.27647E-03 ppm1 8.713 ppm2 8.508 CV 1 ASSI { 455} (( segid " " and resid 1766 and name H )) (( segid " " and resid 1765 and name H )) 2.600 0.900 0.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.31576E-02 ppm1 8.621 ppm2 7.893 CV 1 ASSI { 458} (( segid " " and resid 1766 and name H )) (( segid " " and resid 1764 and name H )) 4.300 2.300 1.700 peak 458 spectrum 1 weight 0.10000E+01 volume 0.29103E-03 ppm1 8.622 ppm2 8.857 CV 1 ASSI { 460} (( segid " " and resid 1766 and name H )) (( segid " " and resid 1765 and name HB )) 2.700 0.900 0.900 peak 460 spectrum 1 weight 0.10000E+01 volume 0.25735E-02 ppm1 8.621 ppm2 4.238 CV 1 ASSI { 461} (( segid " " and resid 1766 and name H )) (( segid " " and resid 1765 and name HA )) 3.400 1.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.89595E-03 ppm1 8.623 ppm2 3.932 CV 1 ASSI { 463} (( segid " " and resid 1767 and name H )) (( segid " " and resid 1763 and name HA )) 4.000 2.000 2.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.56126E-03 ppm1 8.712 ppm2 4.421 CV 1 ASSI { 464} (( segid " " and resid 1767 and name H )) (( segid " " and resid 1767 and name HB )) 2.400 0.700 0.700 peak 464 spectrum 1 weight 0.10000E+01 volume 0.62612E-02 ppm1 8.713 ppm2 4.187 CV 1 ASSI { 468} (( segid " " and resid 1766 and name H )) (( segid " " and resid 1766 and name HB2 )) 2.400 0.700 0.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.36025E-02 ppm1 8.621 ppm2 1.924 CV 1 ASSI { 469} (( segid " " and resid 1766 and name H )) (( segid " " and resid 1766 and name HD3 )) 4.900 3.000 1.100 peak 469 spectrum 1 weight 0.10000E+01 volume 0.50098E-03 ppm1 8.619 ppm2 1.705 CV 1 OR { 469} (( segid " " and resid 1766 and name H )) (( segid " " and resid 1766 and name HD2 )) ASSI { 471} (( segid " " and resid 1766 and name H )) (( segid " " and resid 1766 and name HG2 )) 4.200 2.200 1.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.95624E-03 ppm1 8.622 ppm2 1.362 CV 1 ASSI { 473} (( segid " " and resid 1766 and name H )) ( segid " " and resid 1675 and name HD1%) 3.300 1.400 1.400 peak 473 spectrum 1 weight 0.10000E+01 volume 0.13886E-02 ppm1 8.620 ppm2 0.795 CV 1 ASSI { 475} (( segid " " and resid 1767 and name H )) (( segid " " and resid 1766 and name HB2 )) 3.700 1.700 1.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.15362E-02 ppm1 8.713 ppm2 1.924 CV 1 ASSI { 476} (( segid " " and resid 1767 and name H )) (( segid " " and resid 1766 and name HD3 )) 3.500 1.600 1.600 peak 476 spectrum 1 weight 0.10000E+01 volume 0.33884E-03 ppm1 8.712 ppm2 1.701 CV 1 ASSI { 477} (( segid " " and resid 1767 and name H )) ( segid " " and resid 1806 and name HB% ) 5.500 3.800 0.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.17877E-03 ppm1 8.712 ppm2 1.597 CV 1 ASSI { 480} (( segid " " and resid 1767 and name H )) ( segid " " and resid 1765 and name HG2%) 5.100 3.200 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.18293E-03 ppm1 8.712 ppm2 1.120 CV 1 ASSI { 481} (( segid " " and resid 1767 and name H )) ( segid " " and resid 1810 and name HD1%) 4.500 2.500 1.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.34092E-03 ppm1 8.711 ppm2 0.971 CV 1 ASSI { 483} (( segid " " and resid 1767 and name H )) ( segid " " and resid 1675 and name HD1%) 5.000 3.200 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.32221E-03 ppm1 8.712 ppm2 0.799 CV 1 ASSI { 484} (( segid " " and resid 1764 and name H )) (( segid " " and resid 1765 and name H )) 2.700 0.900 0.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.25901E-02 ppm1 8.850 ppm2 7.892 CV 1 ASSI { 485} (( segid " " and resid 1764 and name H )) (( segid " " and resid 1763 and name H )) 2.800 1.000 1.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.21287E-02 ppm1 8.850 ppm2 9.189 CV 1 ASSI { 487} (( segid " " and resid 1764 and name H )) (( segid " " and resid 1764 and name HA )) 2.700 0.900 0.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.33821E-02 ppm1 8.851 ppm2 4.201 CV 1 ASSI { 491} (( segid " " and resid 1764 and name H )) (( segid " " and resid 1764 and name HB3 )) 3.400 1.500 1.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.28188E-02 ppm1 8.850 ppm2 2.251 CV 1 ASSI { 492} (( segid " " and resid 1764 and name H )) (( segid " " and resid 1764 and name HB2 )) 2.600 0.800 0.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.20309E-02 ppm1 8.850 ppm2 2.110 CV 1 ASSI { 493} (( segid " " and resid 1764 and name H )) ( segid " " and resid 1810 and name HD1%) 4.400 2.400 1.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.60700E-03 ppm1 8.851 ppm2 0.968 CV 1 ASSI { 494} (( segid " " and resid 1764 and name H )) ( segid " " and resid 1760 and name HB% ) 4.000 2.000 2.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.69018E-03 ppm1 8.850 ppm2 1.464 CV 1 ASSI { 496} (( segid " " and resid 1762 and name H )) (( segid " " and resid 1763 and name H )) 2.800 0.900 0.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.23199E-02 ppm1 7.395 ppm2 9.188 CV 1 ASSI { 498} (( segid " " and resid 1762 and name H )) (( segid " " and resid 1764 and name H )) 4.500 2.500 1.500 peak 498 spectrum 1 weight 0.10000E+01 volume 0.21204E-03 ppm1 7.392 ppm2 8.854 CV 1 ASSI { 499} (( segid " " and resid 1762 and name H )) (( segid " " and resid 1760 and name H )) 4.500 2.500 1.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.19956E-03 ppm1 7.394 ppm2 7.990 CV 1 ASSI { 504} (( segid " " and resid 1762 and name H )) (( segid " " and resid 1761 and name HA )) 3.500 1.500 1.500 peak 504 spectrum 1 weight 0.10000E+01 volume 0.69637E-03 ppm1 7.395 ppm2 3.890 CV 1 ASSI { 506} (( segid " " and resid 1763 and name H )) (( segid " " and resid 1760 and name HA )) 3.200 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.14510E-02 ppm1 9.180 ppm2 4.255 CV 1 ASSI { 507} (( segid " " and resid 1763 and name H )) (( segid " " and resid 1762 and name HA )) 3.700 1.700 1.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.54672E-03 ppm1 9.179 ppm2 3.971 CV 1 ASSI { 510} (( segid " " and resid 1762 and name H )) (( segid " " and resid 1762 and name HB2 )) 2.900 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.23448E-02 ppm1 7.394 ppm2 2.033 CV 1 ASSI { 511} (( segid " " and resid 1762 and name H )) (( segid " " and resid 1762 and name HG )) 3.300 1.300 1.300 peak 511 spectrum 1 weight 0.10000E+01 volume 0.34175E-02 ppm1 7.395 ppm2 1.816 CV 1 ASSI { 512} (( segid " " and resid 1762 and name H )) (( segid " " and resid 1761 and name HG )) 3.700 1.700 1.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.28271E-03 ppm1 7.398 ppm2 1.662 CV 1 ASSI { 513} (( segid " " and resid 1762 and name H )) ( segid " " and resid 1749 and name HB% ) 4.400 2.400 1.600 peak 513 spectrum 1 weight 0.10000E+01 volume 0.84396E-03 ppm1 7.395 ppm2 1.583 CV 1 ASSI { 514} (( segid " " and resid 1762 and name H )) (( segid " " and resid 1762 and name HB3 )) 2.600 0.800 0.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.18314E-02 ppm1 7.395 ppm2 1.399 CV 1 ASSI { 515} (( segid " " and resid 1763 and name H )) (( segid " " and resid 1762 and name HB2 )) 3.800 1.800 1.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.17379E-02 ppm1 9.179 ppm2 2.033 CV 1 ASSI { 516} (( segid " " and resid 1763 and name H )) (( segid " " and resid 1759 and name HB3 )) 4.000 2.000 2.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.30350E-03 ppm1 9.182 ppm2 1.902 CV 1 ASSI { 517} (( segid " " and resid 1763 and name H )) (( segid " " and resid 1762 and name HB3 )) 2.800 1.000 1.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.12140E-02 ppm1 9.180 ppm2 1.397 CV 1 ASSI { 518} (( segid " " and resid 1763 and name H )) ( segid " " and resid 1762 and name HD2%) 4.000 2.000 2.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.89595E-03 ppm1 9.180 ppm2 0.767 CV 1 ASSI { 519} (( segid " " and resid 1761 and name H )) (( segid " " and resid 1762 and name H )) 2.600 0.800 0.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.28459E-02 ppm1 7.773 ppm2 7.401 CV 1 ASSI { 521} (( segid " " and resid 1761 and name H )) (( segid " " and resid 1763 and name H )) 4.600 2.600 1.400 peak 521 spectrum 1 weight 0.10000E+01 volume 0.29103E-03 ppm1 7.772 ppm2 9.187 CV 1 ASSI { 522} (( segid " " and resid 1680 and name H )) (( segid " " and resid 1681 and name H )) 2.400 0.700 0.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.51865E-02 ppm1 7.978 ppm2 7.872 CV 1 ASSI { 523} (( segid " " and resid 1760 and name H )) (( segid " " and resid 1761 and name H )) 2.600 0.800 0.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.37937E-02 ppm1 7.983 ppm2 7.776 CV 1 ASSI { 525} (( segid " " and resid 1680 and name H )) (( segid " " and resid 1680 and name HA )) 2.300 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.92174E-02 ppm1 7.976 ppm2 4.135 CV 1 ASSI { 526} (( segid " " and resid 1761 and name H )) (( segid " " and resid 1760 and name HA )) 3.400 1.400 1.400 peak 526 spectrum 1 weight 0.10000E+01 volume 0.13200E-02 ppm1 7.773 ppm2 4.249 CV 1 ASSI { 527} (( segid " " and resid 1761 and name H )) (( segid " " and resid 1757 and name HA )) 4.000 2.000 2.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.61947E-03 ppm1 7.773 ppm2 4.180 CV 1 ASSI { 530} (( segid " " and resid 1760 and name H )) (( segid " " and resid 1759 and name HB2 )) 3.100 1.200 1.200 peak 530 spectrum 1 weight 0.10000E+01 volume 0.14032E-02 ppm1 7.983 ppm2 2.051 CV 1 ASSI { 531} (( segid " " and resid 1760 and name H )) (( segid " " and resid 1759 and name HB3 )) 3.400 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.18855E-02 ppm1 7.983 ppm2 1.904 CV 1 ASSI { 535} (( segid " " and resid 1761 and name H )) (( segid " " and resid 1757 and name HB3 )) 4.300 2.300 1.700 peak 535 spectrum 1 weight 0.10000E+01 volume 0.27647E-03 ppm1 7.774 ppm2 2.114 CV 1 ASSI { 536} (( segid " " and resid 1761 and name H )) (( segid " " and resid 1762 and name HB2 )) 5.100 3.200 0.900 peak 536 spectrum 1 weight 0.10000E+01 volume 0.35755E-03 ppm1 7.775 ppm2 2.030 CV 1 ASSI { 540} (( segid " " and resid 1680 and name H )) ( segid " " and resid 1680 and name HD1%) 3.700 1.700 1.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.22617E-02 ppm1 7.976 ppm2 0.892 CV 1 OR { 540} (( segid " " and resid 1680 and name H )) ( segid " " and resid 1680 and name HD2%) ASSI { 541} (( segid " " and resid 1667 and name H )) ( segid " " and resid 1776 and name HD1%) 4.100 2.100 1.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.64234E-03 ppm1 7.980 ppm2 0.795 CV 1 ASSI { 542} (( segid " " and resid 1761 and name H )) ( segid " " and resid 1761 and name HD1%) 3.700 1.700 1.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.17503E-02 ppm1 7.773 ppm2 0.827 CV 1 ASSI { 543} (( segid " " and resid 1761 and name H )) ( segid " " and resid 1813 and name HG2%) 3.800 1.800 1.800 peak 543 spectrum 1 weight 0.10000E+01 volume 0.43238E-03 ppm1 7.773 ppm2 1.076 CV 1 ASSI { 544} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1760 and name H )) 4.600 2.700 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.22867E-03 ppm1 8.324 ppm2 7.991 CV 1 ASSI { 545} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1759 and name H )) 2.700 0.900 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.24176E-02 ppm1 8.322 ppm2 7.846 CV 1 ASSI { 546} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1757 and name H )) 2.900 1.100 1.100 peak 546 spectrum 1 weight 0.10000E+01 volume 0.19042E-02 ppm1 8.322 ppm2 7.277 CV 1 ASSI { 549} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1758 and name HB2 )) 3.300 1.400 1.400 peak 549 spectrum 1 weight 0.10000E+01 volume 0.30807E-02 ppm1 8.323 ppm2 2.403 CV 1 ASSI { 550} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1757 and name HB2 )) 2.700 0.900 0.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.32200E-02 ppm1 8.323 ppm2 2.124 CV 1 OR { 550} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1757 and name HB3 )) ASSI { 551} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1759 and name HB3 )) 5.800 4.200 0.200 peak 551 spectrum 1 weight 0.10000E+01 volume 0.26608E-03 ppm1 8.325 ppm2 1.903 CV 1 ASSI { 553} (( segid " " and resid 1754 and name H )) (( segid " " and resid 1753 and name H )) 3.000 1.100 1.100 peak 553 spectrum 1 weight 0.10000E+01 volume 0.17441E-02 ppm1 7.696 ppm2 8.492 CV 1 ASSI { 556} (( segid " " and resid 1752 and name H )) (( segid " " and resid 1753 and name H )) 4.300 2.300 1.700 peak 556 spectrum 1 weight 0.10000E+01 volume 0.58621E-03 ppm1 7.434 ppm2 8.476 CV 1 ASSI { 557} (( segid " " and resid 1752 and name H )) (( segid " " and resid 1751 and name H )) 2.700 0.900 0.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.29539E-02 ppm1 7.432 ppm2 7.074 CV 1 ASSI { 559} (( segid " " and resid 1752 and name H )) (( segid " " and resid 1752 and name HB )) 2.400 0.700 0.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.55274E-02 ppm1 7.432 ppm2 4.317 CV 1 OR { 559} (( segid " " and resid 1752 and name H )) (( segid " " and resid 1752 and name HA )) ASSI { 560} (( segid " " and resid 1752 and name H )) (( segid " " and resid 1748 and name HA )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.12535E-02 ppm1 7.432 ppm2 4.057 CV 1 ASSI { 561} (( segid " " and resid 1754 and name H )) (( segid " " and resid 1752 and name HA )) 3.900 1.900 1.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.94168E-03 ppm1 7.695 ppm2 4.317 CV 1 OR { 561} (( segid " " and resid 1754 and name H )) (( segid " " and resid 1752 and name HB )) ASSI { 562} (( segid " " and resid 1754 and name H )) (( segid " " and resid 1753 and name HA )) 3.300 1.300 1.300 peak 562 spectrum 1 weight 0.10000E+01 volume 0.12306E-02 ppm1 7.695 ppm2 4.227 CV 1 ASSI { 563} (( segid " " and resid 1754 and name H )) (( segid " " and resid 1754 and name HB2 )) 2.800 1.000 1.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.21515E-02 ppm1 7.695 ppm2 3.970 CV 1 ASSI { 564} (( segid " " and resid 1754 and name H )) (( segid " " and resid 1754 and name HB3 )) 3.400 1.400 1.400 peak 564 spectrum 1 weight 0.10000E+01 volume 0.28729E-02 ppm1 7.696 ppm2 3.836 CV 1 ASSI { 565} (( segid " " and resid 1753 and name H )) (( segid " " and resid 1752 and name HA )) 2.400 0.700 0.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.64691E-02 ppm1 8.483 ppm2 4.316 CV 1 ASSI { 568} (( segid " " and resid 1752 and name H )) ( segid " " and resid 1749 and name HB% ) 4.000 2.000 2.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.87935E-03 ppm1 7.431 ppm2 1.589 CV 1 ASSI { 569} (( segid " " and resid 1752 and name H )) (( segid " " and resid 1751 and name HB2 )) 3.700 1.700 1.700 peak 569 spectrum 1 weight 0.10000E+01 volume 0.76292E-03 ppm1 7.433 ppm2 2.138 CV 1 ASSI { 570} (( segid " " and resid 1753 and name H )) (( segid " " and resid 1753 and name HB2 )) 2.500 0.800 0.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.47998E-02 ppm1 8.483 ppm2 1.730 CV 1 ASSI { 572} (( segid " " and resid 1754 and name H )) (( segid " " and resid 1757 and name HB2 )) 3.800 1.800 1.800 peak 572 spectrum 1 weight 0.10000E+01 volume 0.94168E-03 ppm1 7.697 ppm2 2.122 CV 1 OR { 572} (( segid " " and resid 1754 and name H )) (( segid " " and resid 1757 and name HB3 )) ASSI { 573} (( segid " " and resid 1754 and name H )) (( segid " " and resid 1753 and name HB2 )) 3.400 1.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.16900E-02 ppm1 7.696 ppm2 1.714 CV 1 ASSI { 575} (( segid " " and resid 1753 and name H )) ( segid " " and resid 1753 and name HD2%) 4.400 2.400 1.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.70052E-03 ppm1 8.483 ppm2 0.981 CV 1 ASSI { 576} (( segid " " and resid 1753 and name H )) ( segid " " and resid 1753 and name HD1%) 4.400 2.400 1.600 peak 576 spectrum 1 weight 0.10000E+01 volume 0.64650E-03 ppm1 8.483 ppm2 0.880 CV 1 ASSI { 577} (( segid " " and resid 1754 and name H )) ( segid " " and resid 1753 and name HD2%) 3.800 1.800 1.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.24114E-03 ppm1 7.694 ppm2 0.977 CV 1 ASSI { 578} (( segid " " and resid 1754 and name H )) ( segid " " and resid 1753 and name HD1%) 3.700 1.700 1.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.27440E-03 ppm1 7.696 ppm2 0.882 CV 1 ASSI { 581} (( segid " " and resid 1750 and name H )) (( segid " " and resid 1752 and name H )) 4.900 2.900 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.19332E-03 ppm1 8.431 ppm2 7.446 CV 1 ASSI { 582} (( segid " " and resid 1750 and name H )) (( segid " " and resid 1751 and name H )) 3.100 1.200 1.200 peak 582 spectrum 1 weight 0.10000E+01 volume 0.13180E-02 ppm1 8.429 ppm2 7.075 CV 1 ASSI { 583} (( segid " " and resid 1750 and name H )) (( segid " " and resid 1749 and name H )) 3.100 1.200 1.200 peak 583 spectrum 1 weight 0.10000E+01 volume 0.15300E-02 ppm1 8.429 ppm2 9.085 CV 1 ASSI { 585} (( segid " " and resid 1751 and name H )) (( segid " " and resid 1750 and name HA )) 3.400 1.400 1.400 peak 585 spectrum 1 weight 0.10000E+01 volume 0.12867E-02 ppm1 7.069 ppm2 4.053 CV 1 ASSI { 586} (( segid " " and resid 1750 and name H )) (( segid " " and resid 1750 and name HB3 )) 3.100 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.14427E-02 ppm1 8.430 ppm2 4.227 CV 1 OR { 586} (( segid " " and resid 1750 and name H )) (( segid " " and resid 1750 and name HB2 )) ASSI { 587} (( segid " " and resid 1750 and name H )) (( segid " " and resid 1750 and name HA )) 2.700 0.900 0.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.37792E-02 ppm1 8.429 ppm2 4.040 CV 1 ASSI { 588} (( segid " " and resid 1751 and name H )) (( segid " " and resid 1751 and name HB2 )) 3.100 1.200 1.200 peak 588 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 7.068 ppm2 2.147 CV 1 ASSI { 591} (( segid " " and resid 1750 and name H )) ( segid " " and resid 1746 and name HG2%) 3.100 1.200 1.200 peak 591 spectrum 1 weight 0.10000E+01 volume 0.74210E-03 ppm1 8.428 ppm2 0.971 CV 1 ASSI { 592} (( segid " " and resid 1750 and name H )) ( segid " " and resid 1687 and name HD1%) 3.300 1.400 1.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.11163E-02 ppm1 8.431 ppm2 0.847 CV 1 ASSI { 593} (( segid " " and resid 1749 and name H )) (( segid " " and resid 1748 and name H )) 3.100 1.200 1.200 peak 593 spectrum 1 weight 0.10000E+01 volume 0.11974E-02 ppm1 9.079 ppm2 9.776 CV 1 ASSI { 597} (( segid " " and resid 1748 and name H )) (( segid " " and resid 1745 and name HA )) 3.500 1.500 1.500 peak 597 spectrum 1 weight 0.10000E+01 volume 0.67352E-03 ppm1 9.768 ppm2 4.633 CV 1 ASSI { 598} (( segid " " and resid 1748 and name H )) (( segid " " and resid 1744 and name HA )) 4.000 2.000 2.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.45941E-03 ppm1 9.770 ppm2 4.204 CV 1 ASSI { 599} (( segid " " and resid 1748 and name H )) (( segid " " and resid 1748 and name HA )) 2.900 1.000 1.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.23324E-02 ppm1 9.769 ppm2 4.064 CV 1 ASSI { 600} (( segid " " and resid 1748 and name H )) (( segid " " and resid 1747 and name HA3 )) 3.100 1.200 1.200 peak 600 spectrum 1 weight 0.10000E+01 volume 0.15778E-02 ppm1 9.769 ppm2 3.729 CV 1 OR { 600} (( segid " " and resid 1748 and name H )) (( segid " " and resid 1747 and name HA2 )) ASSI { 601} (( segid " " and resid 1749 and name H )) (( segid " " and resid 1748 and name HA )) 3.000 1.100 1.100 peak 601 spectrum 1 weight 0.10000E+01 volume 0.20621E-02 ppm1 9.078 ppm2 4.063 CV 1 ASSI { 603} (( segid " " and resid 1748 and name H )) ( segid " " and resid 1745 and name HB% ) 3.600 1.600 1.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.95828E-03 ppm1 9.768 ppm2 1.570 CV 1 ASSI { 604} (( segid " " and resid 1748 and name H )) ( segid " " and resid 1748 and name HB% ) 2.500 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.48269E-02 ppm1 9.769 ppm2 1.442 CV 1 ASSI { 605} (( segid " " and resid 1748 and name H )) ( segid " " and resid 1698 and name HD2%) 3.300 1.400 1.400 peak 605 spectrum 1 weight 0.10000E+01 volume 0.10103E-02 ppm1 9.768 ppm2 0.994 CV 1 ASSI { 607} (( segid " " and resid 1749 and name H )) ( segid " " and resid 1748 and name HB% ) 2.900 1.000 1.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.22035E-02 ppm1 9.078 ppm2 1.443 CV 1 ASSI { 608} (( segid " " and resid 1748 and name H )) ( segid " " and resid 1761 and name HD1%) 4.500 2.500 1.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.45732E-03 ppm1 9.764 ppm2 0.822 CV 1 ASSI { 609} (( segid " " and resid 1748 and name H )) ( segid " " and resid 1698 and name HD1%) 3.200 1.300 1.300 peak 609 spectrum 1 weight 0.10000E+01 volume 0.11101E-02 ppm1 9.769 ppm2 0.625 CV 1 ASSI { 610} (( segid " " and resid 1749 and name H )) ( segid " " and resid 1761 and name HD1%) 3.900 1.900 1.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.10955E-02 ppm1 9.077 ppm2 0.825 CV 1 ASSI { 611} (( segid " " and resid 1747 and name H )) (( segid " " and resid 1748 and name H )) 2.900 1.100 1.100 peak 611 spectrum 1 weight 0.10000E+01 volume 0.19062E-02 ppm1 8.035 ppm2 9.777 CV 1 ASSI { 612} (( segid " " and resid 1661 and name H )) (( segid " " and resid 1660 and name H )) 2.900 1.100 1.100 peak 612 spectrum 1 weight 0.10000E+01 volume 0.18023E-02 ppm1 8.185 ppm2 9.638 CV 1 ASSI { 614} (( segid " " and resid 1746 and name H )) (( segid " " and resid 1747 and name H )) 2.600 0.900 0.900 peak 614 spectrum 1 weight 0.10000E+01 volume 0.29415E-02 ppm1 8.207 ppm2 8.044 CV 1 ASSI { 616} (( segid " " and resid 1747 and name H )) (( segid " " and resid 1744 and name HA )) 3.300 1.400 1.400 peak 616 spectrum 1 weight 0.10000E+01 volume 0.99781E-03 ppm1 8.036 ppm2 4.207 CV 1 ASSI { 617} (( segid " " and resid 1747 and name H )) (( segid " " and resid 1743 and name HA )) 3.500 1.600 1.600 peak 617 spectrum 1 weight 0.10000E+01 volume 0.78578E-03 ppm1 8.035 ppm2 4.073 CV 1 ASSI { 619} (( segid " " and resid 1747 and name H )) (( segid " " and resid 1746 and name HA )) 3.400 1.400 1.400 peak 619 spectrum 1 weight 0.10000E+01 volume 0.79409E-03 ppm1 8.036 ppm2 3.491 CV 1 ASSI { 621} (( segid " " and resid 1661 and name H )) (( segid " " and resid 1661 and name HA )) 2.700 0.900 0.900 peak 621 spectrum 1 weight 0.10000E+01 volume 0.27024E-02 ppm1 8.186 ppm2 4.123 CV 1 ASSI { 622} (( segid " " and resid 1661 and name H )) (( segid " " and resid 1660 and name HA )) 3.100 1.200 1.200 peak 622 spectrum 1 weight 0.10000E+01 volume 0.17420E-02 ppm1 8.186 ppm2 3.937 CV 1 ASSI { 623} (( segid " " and resid 1746 and name H )) (( segid " " and resid 1742 and name HA )) 3.400 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.95209E-03 ppm1 8.207 ppm2 3.710 CV 1 ASSI { 625} (( segid " " and resid 1661 and name H )) (( segid " " and resid 1661 and name HB2 )) 2.700 0.900 0.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.20518E-02 ppm1 8.186 ppm2 3.292 CV 1 ASSI { 626} (( segid " " and resid 1747 and name H )) (( segid " " and resid 1746 and name HB )) 2.700 0.900 0.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.28479E-02 ppm1 8.035 ppm2 2.090 CV 1 ASSI { 627} (( segid " " and resid 1747 and name H )) (( segid " " and resid 1690 and name HG3 )) 4.300 2.300 1.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.58413E-03 ppm1 8.035 ppm2 1.711 CV 1 OR { 627} (( segid " " and resid 1747 and name H )) (( segid " " and resid 1690 and name HG2 )) ASSI { 628} (( segid " " and resid 1747 and name H )) ( segid " " and resid 1745 and name HB% ) 3.600 1.700 1.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.10331E-02 ppm1 8.036 ppm2 1.568 CV 1 ASSI { 629} (( segid " " and resid 1747 and name H )) ( segid " " and resid 1748 and name HB% ) 4.500 2.500 1.500 peak 629 spectrum 1 weight 0.10000E+01 volume 0.57374E-03 ppm1 8.036 ppm2 1.442 CV 1 ASSI { 631} (( segid " " and resid 1747 and name H )) ( segid " " and resid 1698 and name HD1%) 4.300 2.300 1.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.53008E-03 ppm1 8.036 ppm2 0.630 CV 1 ASSI { 636} (( segid " " and resid 1661 and name H )) (( segid " " and resid 1661 and name HB3 )) 3.700 1.700 1.700 peak 636 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 8.185 ppm2 2.475 CV 1 ASSI { 637} (( segid " " and resid 1744 and name H )) (( segid " " and resid 1745 and name H )) 2.600 0.900 0.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.32325E-02 ppm1 8.087 ppm2 8.799 CV 1 ASSI { 638} (( segid " " and resid 1745 and name H )) (( segid " " and resid 1746 and name H )) 2.600 0.800 0.800 peak 638 spectrum 1 weight 0.10000E+01 volume 0.30662E-02 ppm1 8.792 ppm2 8.211 CV 1 ASSI { 640} (( segid " " and resid 1745 and name H )) (( segid " " and resid 1745 and name HA )) 2.700 0.900 0.900 peak 640 spectrum 1 weight 0.10000E+01 volume 0.31202E-02 ppm1 8.792 ppm2 4.633 CV 1 ASSI { 641} (( segid " " and resid 1745 and name H )) (( segid " " and resid 1744 and name HA )) 3.500 1.500 1.500 peak 641 spectrum 1 weight 0.10000E+01 volume 0.10373E-02 ppm1 8.791 ppm2 4.206 CV 1 ASSI { 642} (( segid " " and resid 1745 and name H )) (( segid " " and resid 1742 and name HA )) 3.100 1.200 1.200 peak 642 spectrum 1 weight 0.10000E+01 volume 0.12764E-02 ppm1 8.792 ppm2 3.699 CV 1 ASSI { 645} (( segid " " and resid 1745 and name H )) (( segid " " and resid 1702 and name HG3 )) 4.100 2.100 1.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.59452E-03 ppm1 8.791 ppm2 2.327 CV 1 ASSI { 646} (( segid " " and resid 1745 and name H )) ( segid " " and resid 1702 and name HE% ) 3.800 1.800 1.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.75462E-03 ppm1 8.791 ppm2 2.003 CV 1 ASSI { 647} (( segid " " and resid 1745 and name H )) ( segid " " and resid 1741 and name HD2%) 3.400 1.400 1.400 peak 647 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 8.792 ppm2 0.991 CV 1 ASSI { 648} (( segid " " and resid 1743 and name H )) (( segid " " and resid 1744 and name H )) 2.700 0.900 0.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.29019E-02 ppm1 8.192 ppm2 8.096 CV 1 ASSI { 649} (( segid " " and resid 1742 and name H )) (( segid " " and resid 1741 and name H )) 2.900 1.100 1.100 peak 649 spectrum 1 weight 0.10000E+01 volume 0.18958E-02 ppm1 8.163 ppm2 7.412 CV 1 ASSI { 650} (( segid " " and resid 1742 and name H )) (( segid " " and resid 1742 and name HB )) 2.300 0.700 0.700 peak 650 spectrum 1 weight 0.10000E+01 volume 0.69658E-02 ppm1 8.164 ppm2 4.458 CV 1 ASSI { 652} (( segid " " and resid 1742 and name H )) (( segid " " and resid 1741 and name HA )) 3.600 1.700 1.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.69848E-03 ppm1 8.164 ppm2 3.964 CV 1 ASSI { 653} (( segid " " and resid 1743 and name H )) (( segid " " and resid 1742 and name HB )) 2.500 0.800 0.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.33988E-02 ppm1 8.191 ppm2 4.460 CV 1 ASSI { 655} (( segid " " and resid 1742 and name H )) (( segid " " and resid 1742 and name HA )) 2.800 1.000 1.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.20705E-02 ppm1 8.164 ppm2 3.697 CV 1 ASSI { 656} (( segid " " and resid 1743 and name H )) (( segid " " and resid 1742 and name HA )) 3.500 1.600 1.600 peak 656 spectrum 1 weight 0.10000E+01 volume 0.77333E-03 ppm1 8.191 ppm2 3.699 CV 1 ASSI { 657} (( segid " " and resid 1742 and name H )) (( segid " " and resid 1741 and name HB2 )) 3.300 1.300 1.300 peak 657 spectrum 1 weight 0.10000E+01 volume 0.15757E-02 ppm1 8.164 ppm2 2.039 CV 1 ASSI { 658} (( segid " " and resid 1742 and name H )) (( segid " " and resid 1741 and name HB3 )) 2.600 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.23989E-02 ppm1 8.164 ppm2 1.532 CV 1 ASSI { 659} (( segid " " and resid 1742 and name H )) ( segid " " and resid 1742 and name HG2%) 3.900 1.900 1.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.13013E-02 ppm1 8.165 ppm2 1.314 CV 1 ASSI { 660} (( segid " " and resid 1742 and name H )) ( segid " " and resid 1741 and name HD2%) 4.400 2.400 1.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.55087E-03 ppm1 8.162 ppm2 0.982 CV 1 ASSI { 663} (( segid " " and resid 1743 and name H )) ( segid " " and resid 1742 and name HG2%) 3.500 1.500 1.500 peak 663 spectrum 1 weight 0.10000E+01 volume 0.10414E-02 ppm1 8.192 ppm2 1.314 CV 1 ASSI { 667} (( segid " " and resid 1741 and name H )) (( segid " " and resid 1740 and name HA )) 3.300 1.400 1.400 peak 667 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 7.408 ppm2 4.357 CV 1 ASSI { 668} (( segid " " and resid 1741 and name H )) (( segid " " and resid 1738 and name HA )) 3.800 1.800 1.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.99570E-03 ppm1 7.406 ppm2 4.258 CV 1 ASSI { 669} (( segid " " and resid 1722 and name H )) (( segid " " and resid 1719 and name HA )) 3.700 1.800 1.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.10706E-02 ppm1 7.354 ppm2 4.223 CV 1 ASSI { 672} (( segid " " and resid 1722 and name H )) (( segid " " and resid 1721 and name HG3 )) 2.700 0.900 0.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.26920E-02 ppm1 7.353 ppm2 1.834 CV 1 ASSI { 673} (( segid " " and resid 1722 and name H )) (( segid " " and resid 1721 and name HG2 )) 3.400 1.500 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.10456E-02 ppm1 7.354 ppm2 1.549 CV 1 ASSI { 674} (( segid " " and resid 1741 and name H )) (( segid " " and resid 1741 and name HB3 )) 3.100 1.200 1.200 peak 674 spectrum 1 weight 0.10000E+01 volume 0.46335E-02 ppm1 7.406 ppm2 1.532 CV 1 ASSI { 676} (( segid " " and resid 1741 and name H )) ( segid " " and resid 1741 and name HD2%) 4.400 2.500 1.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.80865E-03 ppm1 7.406 ppm2 0.987 CV 1 ASSI { 678} (( segid " " and resid 1738 and name H )) (( segid " " and resid 1739 and name H )) 2.700 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.23241E-02 ppm1 7.625 ppm2 8.882 CV 1 ASSI { 680} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1738 and name H )) 2.600 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.32242E-02 ppm1 7.324 ppm2 7.634 CV 1 ASSI { 689} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1736 and name HA )) 3.300 1.400 1.400 peak 689 spectrum 1 weight 0.10000E+01 volume 0.13761E-02 ppm1 7.325 ppm2 4.073 CV 1 ASSI { 691} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1735 and name HA )) 4.100 2.100 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.36794E-03 ppm1 7.322 ppm2 3.570 CV 1 ASSI { 694} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1737 and name HB3 )) 3.300 1.400 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.26754E-02 ppm1 7.324 ppm2 2.638 CV 1 ASSI { 695} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1736 and name HG3 )) 4.200 2.200 1.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.80035E-03 ppm1 7.325 ppm2 2.213 CV 1 ASSI { 696} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1736 and name HB2 )) 4.200 2.300 1.800 peak 696 spectrum 1 weight 0.10000E+01 volume 0.79198E-03 ppm1 7.324 ppm2 1.917 CV 1 ASSI { 697} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1736 and name HG2 )) 2.900 1.100 1.100 peak 697 spectrum 1 weight 0.10000E+01 volume 0.13657E-02 ppm1 7.324 ppm2 1.800 CV 1 ASSI { 698} (( segid " " and resid 1738 and name H )) (( segid " " and resid 1738 and name HB3 )) 3.700 1.800 1.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.22721E-02 ppm1 7.626 ppm2 3.376 CV 1 ASSI { 699} (( segid " " and resid 1738 and name H )) (( segid " " and resid 1738 and name HB2 )) 2.400 0.700 0.700 peak 699 spectrum 1 weight 0.10000E+01 volume 0.38852E-02 ppm1 7.626 ppm2 3.122 CV 1 ASSI { 701} (( segid " " and resid 1738 and name H )) (( segid " " and resid 1739 and name HB3 )) 4.500 2.500 1.500 peak 701 spectrum 1 weight 0.10000E+01 volume 0.64026E-03 ppm1 7.628 ppm2 2.202 CV 1 ASSI { 703} (( segid " " and resid 1739 and name H )) (( segid " " and resid 1738 and name HB2 )) 3.300 1.400 1.400 peak 703 spectrum 1 weight 0.10000E+01 volume 0.96454E-03 ppm1 8.874 ppm2 3.125 CV 1 ASSI { 705} (( segid " " and resid 1739 and name H )) (( segid " " and resid 1739 and name HB3 )) 2.400 0.700 0.700 peak 705 spectrum 1 weight 0.10000E+01 volume 0.56875E-02 ppm1 8.875 ppm2 2.203 CV 1 ASSI { 706} (( segid " " and resid 1737 and name H )) ( segid " " and resid 1735 and name HB% ) 4.500 2.500 1.500 peak 706 spectrum 1 weight 0.10000E+01 volume 0.42822E-03 ppm1 7.326 ppm2 1.440 CV 1 ASSI { 707} (( segid " " and resid 1736 and name H )) (( segid " " and resid 1735 and name H )) 2.700 0.900 0.900 peak 707 spectrum 1 weight 0.10000E+01 volume 0.27980E-02 ppm1 7.366 ppm2 8.289 CV 1 ASSI { 708} (( segid " " and resid 1735 and name H )) (( segid " " and resid 1734 and name H )) 2.700 0.900 0.900 peak 708 spectrum 1 weight 0.10000E+01 volume 0.34778E-02 ppm1 8.281 ppm2 7.950 CV 1 ASSI { 710} (( segid " " and resid 1735 and name H )) (( segid " " and resid 1732 and name HA )) 3.200 1.300 1.300 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13054E-02 ppm1 8.282 ppm2 4.166 CV 1 ASSI { 711} (( segid " " and resid 1735 and name H )) (( segid " " and resid 1734 and name HA )) 3.400 1.400 1.400 peak 711 spectrum 1 weight 0.10000E+01 volume 0.98114E-03 ppm1 8.280 ppm2 4.048 CV 1 ASSI { 714} (( segid " " and resid 1736 and name H )) (( segid " " and resid 1736 and name HA )) 2.600 0.900 0.900 peak 714 spectrum 1 weight 0.10000E+01 volume 0.45442E-02 ppm1 7.365 ppm2 4.078 CV 1 ASSI { 717} (( segid " " and resid 1735 and name H )) (( segid " " and resid 1734 and name HG2 )) 3.600 1.600 1.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.86894E-03 ppm1 8.282 ppm2 2.497 CV 1 ASSI { 721} (( segid " " and resid 1736 and name H )) (( segid " " and resid 1736 and name HB3 )) 2.300 0.700 0.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.46024E-02 ppm1 7.365 ppm2 1.800 CV 1 ASSI { 723} (( segid " " and resid 1735 and name H )) ( segid " " and resid 1712 and name HD2%) 4.400 2.400 1.600 peak 723 spectrum 1 weight 0.10000E+01 volume 0.59245E-03 ppm1 8.280 ppm2 0.990 CV 1 ASSI { 725} (( segid " " and resid 1732 and name H )) (( segid " " and resid 1731 and name H )) 2.700 0.900 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.26962E-02 ppm1 7.979 ppm2 8.496 CV 1 ASSI { 727} (( segid " " and resid 1732 and name H )) (( segid " " and resid 1729 and name HA )) 3.700 1.700 1.700 peak 727 spectrum 1 weight 0.10000E+01 volume 0.64026E-03 ppm1 7.980 ppm2 4.495 CV 1 ASSI { 728} (( segid " " and resid 1732 and name H )) (( segid " " and resid 1732 and name HA )) 2.800 1.000 1.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.31846E-02 ppm1 7.979 ppm2 4.167 CV 1 ASSI { 730} (( segid " " and resid 1732 and name H )) (( segid " " and resid 1732 and name HB3 )) 2.900 1.100 1.100 peak 730 spectrum 1 weight 0.10000E+01 volume 0.31327E-02 ppm1 7.979 ppm2 3.942 CV 1 ASSI { 732} (( segid " " and resid 1734 and name H )) (( segid " " and resid 1734 and name HA )) 2.500 0.800 0.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.26837E-02 ppm1 7.940 ppm2 4.045 CV 1 ASSI { 733} (( segid " " and resid 1734 and name H )) (( segid " " and resid 1733 and name HA )) 3.400 1.500 1.500 peak 733 spectrum 1 weight 0.10000E+01 volume 0.93957E-03 ppm1 7.939 ppm2 3.928 CV 1 ASSI { 734} (( segid " " and resid 1734 and name H )) (( segid " " and resid 1731 and name HA )) 3.400 1.400 1.400 peak 734 spectrum 1 weight 0.10000E+01 volume 0.10414E-02 ppm1 7.939 ppm2 3.691 CV 1 ASSI { 735} (( segid " " and resid 1734 and name H )) (( segid " " and resid 1734 and name HG3 )) 4.000 2.000 2.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.11496E-02 ppm1 7.939 ppm2 2.495 CV 1 ASSI { 736} (( segid " " and resid 1734 and name H )) (( segid " " and resid 1734 and name HB2 )) 2.200 0.600 0.600 peak 736 spectrum 1 weight 0.10000E+01 volume 0.51428E-02 ppm1 7.940 ppm2 2.215 CV 1 ASSI { 737} (( segid " " and resid 1734 and name H )) (( segid " " and resid 1734 and name HB3 )) 2.600 0.800 0.800 peak 737 spectrum 1 weight 0.10000E+01 volume 0.38686E-02 ppm1 7.939 ppm2 2.141 CV 1 ASSI { 738} (( segid " " and resid 1732 and name H )) (( segid " " and resid 1731 and name HB )) 2.700 0.900 0.900 peak 738 spectrum 1 weight 0.10000E+01 volume 0.25194E-02 ppm1 7.979 ppm2 2.151 CV 1 ASSI { 741} (( segid " " and resid 1734 and name H )) ( segid " " and resid 1712 and name HD2%) 2.800 1.000 1.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.24446E-02 ppm1 7.940 ppm2 0.993 CV 1 OR { 741} (( segid " " and resid 1734 and name H )) ( segid " " and resid 1712 and name HD1%) ASSI { 743} (( segid " " and resid 1730 and name H )) (( segid " " and resid 1731 and name H )) 2.500 0.800 0.800 peak 743 spectrum 1 weight 0.10000E+01 volume 0.27086E-02 ppm1 7.922 ppm2 8.495 CV 1 ASSI { 744} (( segid " " and resid 1730 and name H )) (( segid " " and resid 1730 and name HA )) 2.600 0.900 0.900 peak 744 spectrum 1 weight 0.10000E+01 volume 0.26130E-02 ppm1 7.921 ppm2 4.166 CV 1 ASSI { 746} (( segid " " and resid 1731 and name H )) (( segid " " and resid 1730 and name HA )) 3.300 1.400 1.400 peak 746 spectrum 1 weight 0.10000E+01 volume 0.10165E-02 ppm1 8.488 ppm2 4.164 CV 1 ASSI { 747} (( segid " " and resid 1731 and name H )) (( segid " " and resid 1727 and name HA )) 4.100 2.100 1.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.59245E-03 ppm1 8.488 ppm2 3.853 CV 1 ASSI { 748} (( segid " " and resid 1731 and name H )) (( segid " " and resid 1731 and name HA )) 2.700 0.900 0.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.27128E-02 ppm1 8.487 ppm2 3.691 CV 1 ASSI { 749} (( segid " " and resid 1730 and name H )) (( segid " " and resid 1729 and name HB2 )) 2.800 1.000 1.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.21016E-02 ppm1 7.921 ppm2 3.234 CV 1 ASSI { 750} (( segid " " and resid 1731 and name H )) (( segid " " and resid 1731 and name HB )) 2.500 0.800 0.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.41346E-02 ppm1 8.488 ppm2 2.149 CV 1 ASSI { 751} (( segid " " and resid 1731 and name H )) (( segid " " and resid 1730 and name HB2 )) 2.600 0.900 0.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.15903E-02 ppm1 8.489 ppm2 2.067 CV 1 ASSI { 752} (( segid " " and resid 1730 and name H )) (( segid " " and resid 1730 and name HD3 )) 2.400 0.700 0.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.33239E-02 ppm1 7.921 ppm2 1.723 CV 1 ASSI { 753} (( segid " " and resid 1730 and name H )) (( segid " " and resid 1730 and name HG3 )) 3.800 1.800 1.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.21141E-02 ppm1 7.922 ppm2 1.470 CV 1 ASSI { 754} (( segid " " and resid 1731 and name H )) (( segid " " and resid 1730 and name HB3 )) 4.000 2.000 2.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.91051E-03 ppm1 8.488 ppm2 1.676 CV 1 ASSI { 755} (( segid " " and resid 1731 and name H )) (( segid " " and resid 1730 and name HG3 )) 4.200 2.200 1.800 peak 755 spectrum 1 weight 0.10000E+01 volume 0.77537E-03 ppm1 8.488 ppm2 1.456 CV 1 ASSI { 758} (( segid " " and resid 1731 and name H )) ( segid " " and resid 1727 and name HD1%) 3.800 1.800 1.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.83355E-03 ppm1 8.488 ppm2 0.824 CV 1 ASSI { 759} (( segid " " and resid 1728 and name H )) (( segid " " and resid 1729 and name H )) 3.100 1.200 1.200 peak 759 spectrum 1 weight 0.10000E+01 volume 0.14115E-02 ppm1 8.884 ppm2 7.960 CV 1 ASSI { 760} (( segid " " and resid 1728 and name H )) (( segid " " and resid 1727 and name H )) 2.900 1.100 1.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 8.884 ppm2 7.723 CV 1 ASSI { 763} (( segid " " and resid 1728 and name H )) (( segid " " and resid 1728 and name HA2 )) 3.000 1.100 1.100 peak 763 spectrum 1 weight 0.10000E+01 volume 0.28625E-02 ppm1 8.884 ppm2 3.581 CV 1 ASSI { 764} (( segid " " and resid 1728 and name H )) (( segid " " and resid 1727 and name HB3 )) 2.800 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.17732E-02 ppm1 8.884 ppm2 1.971 CV 1 ASSI { 765} (( segid " " and resid 1728 and name H )) (( segid " " and resid 1727 and name HG )) 3.300 1.400 1.400 peak 765 spectrum 1 weight 0.10000E+01 volume 0.79620E-03 ppm1 8.884 ppm2 1.355 CV 1 ASSI { 767} (( segid " " and resid 1698 and name H )) (( segid " " and resid 1698 and name HB3 )) 3.600 1.600 1.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.21972E-02 ppm1 7.845 ppm2 1.421 CV 1 ASSI { 768} (( segid " " and resid 1728 and name H )) ( segid " " and resid 1727 and name HD2%) 3.900 1.900 1.900 peak 768 spectrum 1 weight 0.10000E+01 volume 0.80450E-03 ppm1 8.884 ppm2 0.773 CV 1 ASSI { 772} (( segid " " and resid 1726 and name H )) (( segid " " and resid 1725 and name HB3 )) 3.800 1.800 1.800 peak 772 spectrum 1 weight 0.10000E+01 volume 0.54672E-03 ppm1 7.751 ppm2 4.018 CV 1 OR { 772} (( segid " " and resid 1726 and name H )) (( segid " " and resid 1725 and name HB2 )) ASSI { 773} (( segid " " and resid 1727 and name H )) (( segid " " and resid 1726 and name HA )) 3.500 1.600 1.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.89595E-03 ppm1 7.714 ppm2 4.516 CV 1 ASSI { 776} (( segid " " and resid 1726 and name H )) (( segid " " and resid 1726 and name HB2 )) 2.700 0.900 0.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.29082E-02 ppm1 7.752 ppm2 2.354 CV 1 OR { 776} (( segid " " and resid 1726 and name H )) (( segid " " and resid 1726 and name HG2 )) ASSI { 777} (( segid " " and resid 1726 and name H )) (( segid " " and resid 1723 and name HB3 )) 3.500 1.500 1.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.57582E-03 ppm1 7.752 ppm2 2.157 CV 1 ASSI { 778} (( segid " " and resid 1726 and name H )) ( segid " " and resid 1719 and name HB% ) 4.300 2.300 1.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.60700E-03 ppm1 7.752 ppm2 1.465 CV 1 ASSI { 779} (( segid " " and resid 1727 and name H )) (( segid " " and resid 1726 and name HB2 )) 3.200 1.300 1.300 peak 779 spectrum 1 weight 0.10000E+01 volume 0.80865E-03 ppm1 7.713 ppm2 2.353 CV 1 ASSI { 780} (( segid " " and resid 1727 and name H )) (( segid " " and resid 1727 and name HB3 )) 2.300 0.700 0.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.35547E-02 ppm1 7.714 ppm2 1.974 CV 1 ASSI { 781} (( segid " " and resid 1724 and name H )) (( segid " " and resid 1723 and name H )) 4.100 2.100 1.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.73380E-03 ppm1 8.804 ppm2 8.933 CV 1 ASSI { 782} (( segid " " and resid 1725 and name H )) (( segid " " and resid 1724 and name H )) 3.200 1.300 1.300 peak 782 spectrum 1 weight 0.10000E+01 volume 0.65897E-03 ppm1 8.707 ppm2 8.811 CV 1 ASSI { 784} (( segid " " and resid 1725 and name H )) (( segid " " and resid 1726 and name H )) 3.200 1.200 1.200 peak 784 spectrum 1 weight 0.10000E+01 volume 0.98740E-03 ppm1 8.708 ppm2 7.755 CV 1 ASSI { 785} (( segid " " and resid 1724 and name H )) (( segid " " and resid 1723 and name HA )) 2.200 0.600 0.600 peak 785 spectrum 1 weight 0.10000E+01 volume 0.84294E-02 ppm1 8.804 ppm2 4.830 CV 1 ASSI { 786} (( segid " " and resid 1724 and name H )) (( segid " " and resid 1724 and name HA )) 2.600 0.800 0.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.30350E-02 ppm1 8.804 ppm2 3.915 CV 1 ASSI { 787} (( segid " " and resid 1724 and name H )) (( segid " " and resid 1784 and name HA3 )) 3.800 1.800 1.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.15778E-02 ppm1 8.804 ppm2 3.774 CV 1 ASSI { 788} (( segid " " and resid 1725 and name H )) (( segid " " and resid 1725 and name HA )) 3.200 1.300 1.300 peak 788 spectrum 1 weight 0.10000E+01 volume 0.10934E-02 ppm1 8.707 ppm2 4.203 CV 1 ASSI { 789} (( segid " " and resid 1725 and name H )) (( segid " " and resid 1725 and name HB3 )) 3.100 1.200 1.200 peak 789 spectrum 1 weight 0.10000E+01 volume 0.14343E-02 ppm1 8.708 ppm2 4.018 CV 1 OR { 789} (( segid " " and resid 1725 and name H )) (( segid " " and resid 1725 and name HB2 )) ASSI { 790} (( segid " " and resid 1725 and name H )) (( segid " " and resid 1724 and name HA )) 4.000 2.000 2.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.47811E-03 ppm1 8.708 ppm2 3.914 CV 1 ASSI { 791} (( segid " " and resid 1724 and name H )) (( segid " " and resid 1723 and name HG3 )) 4.600 2.700 1.400 peak 791 spectrum 1 weight 0.10000E+01 volume 0.56126E-03 ppm1 8.804 ppm2 2.258 CV 1 OR { 791} (( segid " " and resid 1724 and name H )) (( segid " " and resid 1723 and name HG2 )) ASSI { 792} (( segid " " and resid 1724 and name H )) (( segid " " and resid 1723 and name HB3 )) 3.200 1.200 1.200 peak 792 spectrum 1 weight 0.10000E+01 volume 0.64441E-03 ppm1 8.805 ppm2 2.154 CV 1 ASSI { 793} (( segid " " and resid 1724 and name H )) (( segid " " and resid 1723 and name HB2 )) 4.400 2.400 1.600 peak 793 spectrum 1 weight 0.10000E+01 volume 0.58621E-03 ppm1 8.802 ppm2 1.864 CV 1 ASSI { 795} (( segid " " and resid 1725 and name H )) ( segid " " and resid 1724 and name HB% ) 3.100 1.200 1.200 peak 795 spectrum 1 weight 0.10000E+01 volume 0.13346E-02 ppm1 8.708 ppm2 1.581 CV 1 ASSI { 797} (( segid " " and resid 1722 and name H )) (( segid " " and resid 1723 and name H )) 2.200 0.600 0.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.55836E-02 ppm1 7.353 ppm2 8.936 CV 1 ASSI { 798} (( segid " " and resid 1722 and name H )) (( segid " " and resid 1721 and name H )) 2.500 0.800 0.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.32990E-02 ppm1 7.353 ppm2 7.609 CV 1 ASSI { 804} (( segid " " and resid 1723 and name H )) (( segid " " and resid 1719 and name HA )) 2.600 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.36940E-02 ppm1 8.928 ppm2 4.223 CV 1 ASSI { 805} (( segid " " and resid 1722 and name H )) (( segid " " and resid 1784 and name HA2 )) 3.400 1.400 1.400 peak 805 spectrum 1 weight 0.10000E+01 volume 0.98325E-03 ppm1 7.353 ppm2 3.775 CV 1 ASSI { 806} (( segid " " and resid 1723 and name H )) (( segid " " and resid 1723 and name HG3 )) 3.500 1.500 1.500 peak 806 spectrum 1 weight 0.10000E+01 volume 0.87513E-03 ppm1 8.928 ppm2 2.256 CV 1 OR { 806} (( segid " " and resid 1723 and name H )) (( segid " " and resid 1723 and name HG2 )) ASSI { 807} (( segid " " and resid 1723 and name H )) (( segid " " and resid 1723 and name HB3 )) 3.800 1.800 1.800 peak 807 spectrum 1 weight 0.10000E+01 volume 0.12514E-02 ppm1 8.928 ppm2 2.155 CV 1 ASSI { 808} (( segid " " and resid 1723 and name H )) (( segid " " and resid 1723 and name HB2 )) 2.600 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.21328E-02 ppm1 8.928 ppm2 1.861 CV 1 ASSI { 810} (( segid " " and resid 1720 and name H )) (( segid " " and resid 1721 and name H )) 2.600 0.900 0.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.28230E-02 ppm1 8.340 ppm2 7.609 CV 1 ASSI { 813} (( segid " " and resid 1721 and name H )) (( segid " " and resid 1723 and name H )) 4.400 2.400 1.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.66936E-03 ppm1 7.602 ppm2 8.932 CV 1 ASSI { 814} (( segid " " and resid 1721 and name H )) (( segid " " and resid 1719 and name H )) 4.500 2.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.35339E-03 ppm1 7.604 ppm2 7.926 CV 1 ASSI { 815} (( segid " " and resid 1683 and name H )) (( segid " " and resid 1680 and name HA )) 2.900 1.100 1.100 peak 815 spectrum 1 weight 0.10000E+01 volume 0.27232E-02 ppm1 8.362 ppm2 4.143 CV 1 ASSI { 817} (( segid " " and resid 1720 and name H )) (( segid " " and resid 1720 and name HA )) 2.400 0.700 0.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.53715E-02 ppm1 8.340 ppm2 3.840 CV 1 ASSI { 818} (( segid " " and resid 1721 and name H )) (( segid " " and resid 1721 and name HA )) 2.600 0.800 0.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.40057E-02 ppm1 7.601 ppm2 4.135 CV 1 ASSI { 821} (( segid " " and resid 1720 and name H )) (( segid " " and resid 1721 and name HG3 )) 4.600 2.600 1.400 peak 821 spectrum 1 weight 0.10000E+01 volume 0.65065E-03 ppm1 8.340 ppm2 1.834 CV 1 OR { 821} (( segid " " and resid 1720 and name H )) (( segid " " and resid 1721 and name HB3 )) ASSI { 822} (( segid " " and resid 1721 and name H )) (( segid " " and resid 1721 and name HG3 )) 2.500 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.71781E-02 ppm1 7.601 ppm2 1.830 CV 1 OR { 822} (( segid " " and resid 1721 and name H )) (( segid " " and resid 1721 and name HB3 )) ASSI { 828} (( segid " " and resid 1720 and name H )) ( segid " " and resid 1727 and name HD1%) 3.100 1.200 1.200 peak 828 spectrum 1 weight 0.10000E+01 volume 0.25735E-02 ppm1 8.340 ppm2 0.817 CV 1 ASSI { 829} (( segid " " and resid 1721 and name H )) ( segid " " and resid 1796 and name HD2%) 3.400 1.400 1.400 peak 829 spectrum 1 weight 0.10000E+01 volume 0.99366E-03 ppm1 7.601 ppm2 0.841 CV 1 ASSI { 831} (( segid " " and resid 1719 and name H )) (( segid " " and resid 1718 and name H )) 2.600 0.800 0.800 peak 831 spectrum 1 weight 0.10000E+01 volume 0.37376E-02 ppm1 7.919 ppm2 8.895 CV 1 ASSI { 832} (( segid " " and resid 1720 and name H )) (( segid " " and resid 1718 and name H )) 4.100 2.100 1.900 peak 832 spectrum 1 weight 0.10000E+01 volume 0.46772E-03 ppm1 8.338 ppm2 8.899 CV 1 ASSI { 833} (( segid " " and resid 1718 and name H )) (( segid " " and resid 1717 and name H )) 2.600 0.800 0.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.37231E-02 ppm1 8.884 ppm2 8.519 CV 1 ASSI { 836} (( segid " " and resid 1718 and name H )) (( segid " " and resid 1715 and name HA )) 3.000 1.100 1.100 peak 836 spectrum 1 weight 0.10000E+01 volume 0.22430E-02 ppm1 8.884 ppm2 4.319 CV 1 ASSI { 838} (( segid " " and resid 1718 and name H )) (( segid " " and resid 1717 and name HA )) 3.200 1.300 1.300 peak 838 spectrum 1 weight 0.10000E+01 volume 0.13574E-02 ppm1 8.885 ppm2 3.835 CV 1 ASSI { 840} (( segid " " and resid 1719 and name H )) (( segid " " and resid 1719 and name HA )) 2.600 0.900 0.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.37460E-02 ppm1 7.920 ppm2 4.223 CV 1 ASSI { 841} (( segid " " and resid 1719 and name H )) (( segid " " and resid 1718 and name HA )) 3.400 1.400 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.10830E-02 ppm1 7.920 ppm2 4.123 CV 1 ASSI { 842} (( segid " " and resid 1718 and name H )) (( segid " " and resid 1721 and name HG3 )) 5.000 3.100 1.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.57166E-03 ppm1 8.885 ppm2 1.842 CV 1 ASSI { 845} (( segid " " and resid 1719 and name H )) (( segid " " and resid 1723 and name HB2 )) 4.700 2.800 1.300 peak 845 spectrum 1 weight 0.10000E+01 volume 0.54672E-03 ppm1 7.919 ppm2 1.856 CV 1 ASSI { 846} (( segid " " and resid 1719 and name H )) ( segid " " and resid 1720 and name HB% ) 4.000 2.000 2.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 7.920 ppm2 1.546 CV 1 ASSI { 848} (( segid " " and resid 1719 and name H )) ( segid " " and resid 1727 and name HD1%) 4.300 2.400 1.700 peak 848 spectrum 1 weight 0.10000E+01 volume 0.55503E-03 ppm1 7.921 ppm2 0.812 CV 1 ASSI { 849} (( segid " " and resid 1718 and name H )) ( segid " " and resid 1800 and name HG1%) 3.400 3.400 2.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.43862E-03 ppm1 8.885 ppm2 0.988 CV 1 ASSI { 850} (( segid " " and resid 1718 and name H )) ( segid " " and resid 1800 and name HG2%) 3.400 1.400 1.400 peak 850 spectrum 1 weight 0.10000E+01 volume 0.47811E-03 ppm1 8.884 ppm2 0.877 CV 1 ASSI { 851} (( segid " " and resid 1718 and name H )) (( segid " " and resid 1716 and name H )) 4.200 2.200 1.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.32636E-03 ppm1 8.887 ppm2 8.075 CV 1 ASSI { 855} (( segid " " and resid 1717 and name H )) (( segid " " and resid 1716 and name H )) 2.700 0.900 0.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.30745E-02 ppm1 8.512 ppm2 8.076 CV 1 ASSI { 856} (( segid " " and resid 1717 and name H )) (( segid " " and resid 1719 and name H )) 4.300 2.300 1.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.41367E-03 ppm1 8.518 ppm2 7.919 CV 1 ASSI { 857} (( segid " " and resid 1816 and name H )) (( segid " " and resid 1817 and name H )) 2.500 0.800 0.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.41471E-02 ppm1 8.069 ppm2 7.968 CV 1 ASSI { 859} (( segid " " and resid 1816 and name H )) (( segid " " and resid 1812 and name HA )) 3.500 1.500 1.500 peak 859 spectrum 1 weight 0.10000E+01 volume 0.91255E-03 ppm1 8.069 ppm2 3.960 CV 1 ASSI { 860} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1716 and name HA )) 2.600 0.900 0.900 peak 860 spectrum 1 weight 0.10000E+01 volume 0.36254E-02 ppm1 8.069 ppm2 3.865 CV 1 ASSI { 866} (( segid " " and resid 1816 and name H )) (( segid " " and resid 1816 and name HB2 )) 2.100 0.600 0.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.93957E-02 ppm1 8.069 ppm2 2.117 CV 1 ASSI { 867} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1716 and name HB3 )) 2.700 0.900 0.900 peak 867 spectrum 1 weight 0.10000E+01 volume 0.42843E-02 ppm1 8.069 ppm2 2.001 CV 1 ASSI { 868} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1716 and name HB2 )) 2.400 0.700 0.700 peak 868 spectrum 1 weight 0.10000E+01 volume 0.37854E-02 ppm1 8.069 ppm2 1.859 CV 1 ASSI { 870} (( segid " " and resid 1717 and name H )) (( segid " " and resid 1716 and name HB3 )) 2.500 0.800 0.800 peak 870 spectrum 1 weight 0.10000E+01 volume 0.30225E-02 ppm1 8.512 ppm2 2.000 CV 1 ASSI { 871} (( segid " " and resid 1717 and name H )) (( segid " " and resid 1716 and name HB2 )) 3.800 1.800 1.800 peak 871 spectrum 1 weight 0.10000E+01 volume 0.15570E-02 ppm1 8.512 ppm2 1.860 CV 1 ASSI { 874} (( segid " " and resid 1716 and name H )) ( segid " " and resid 1712 and name HD1%) 3.700 1.700 1.700 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10186E-02 ppm1 8.069 ppm2 0.999 CV 1 ASSI { 875} (( segid " " and resid 1716 and name H )) ( segid " " and resid 1716 and name HD1%) 4.100 2.100 1.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.14177E-02 ppm1 8.069 ppm2 0.888 CV 1 ASSI { 879} (( segid " " and resid 1713 and name H )) (( segid " " and resid 1714 and name H )) 2.900 1.100 1.100 peak 879 spectrum 1 weight 0.10000E+01 volume 0.15196E-02 ppm1 7.260 ppm2 8.892 CV 1 ASSI { 882} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1713 and name H )) 2.500 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 7.717 ppm2 7.268 CV 1 ASSI { 883} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1711 and name H )) 2.800 0.900 0.900 peak 883 spectrum 1 weight 0.10000E+01 volume 0.27564E-02 ppm1 7.717 ppm2 7.632 CV 1 ASSI { 886} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1710 and name HA )) 4.100 2.100 1.900 peak 886 spectrum 1 weight 0.10000E+01 volume 0.64441E-03 ppm1 7.716 ppm2 4.052 CV 1 ASSI { 891} (( segid " " and resid 1714 and name H )) (( segid " " and resid 1715 and name HD2 )) 2.400 0.700 0.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.28625E-02 ppm1 8.885 ppm2 3.603 CV 1 ASSI { 892} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1709 and name HA )) 3.300 1.400 1.400 peak 892 spectrum 1 weight 0.10000E+01 volume 0.11745E-02 ppm1 7.716 ppm2 3.419 CV 1 ASSI { 895} (( segid " " and resid 1714 and name H )) (( segid " " and resid 1714 and name HG3 )) 3.100 1.200 1.200 peak 895 spectrum 1 weight 0.10000E+01 volume 0.14510E-02 ppm1 8.885 ppm2 2.369 CV 1 ASSI { 899} (( segid " " and resid 1714 and name H )) (( segid " " and resid 1713 and name HB )) 2.400 0.700 0.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.42282E-02 ppm1 8.885 ppm2 1.925 CV 1 ASSI { 900} (( segid " " and resid 1713 and name H )) (( segid " " and resid 1713 and name HG13)) 2.500 0.800 0.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.29602E-02 ppm1 7.260 ppm2 2.272 CV 1 ASSI { 901} (( segid " " and resid 1713 and name H )) ( segid " " and resid 1734 and name HE% ) 3.800 1.800 1.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.11558E-02 ppm1 7.260 ppm2 2.031 CV 1 ASSI { 902} (( segid " " and resid 1713 and name H )) (( segid " " and resid 1713 and name HB )) 2.400 0.700 0.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.35401E-02 ppm1 7.260 ppm2 1.925 CV 1 ASSI { 904} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1712 and name HB2 )) 3.100 1.200 1.200 peak 904 spectrum 1 weight 0.10000E+01 volume 0.37418E-02 ppm1 7.717 ppm2 1.929 CV 1 ASSI { 905} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1712 and name HG )) 2.700 0.900 0.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.21016E-02 ppm1 7.717 ppm2 1.795 CV 1 ASSI { 906} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1712 and name HB3 )) 2.700 0.900 0.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.23760E-02 ppm1 7.717 ppm2 1.666 CV 1 ASSI { 907} (( segid " " and resid 1712 and name H )) ( segid " " and resid 1712 and name HD2%) 3.300 1.300 1.300 peak 907 spectrum 1 weight 0.10000E+01 volume 0.32034E-02 ppm1 7.717 ppm2 0.996 CV 1 OR { 907} (( segid " " and resid 1712 and name H )) ( segid " " and resid 1712 and name HD1%) ASSI { 908} (( segid " " and resid 1713 and name H )) ( segid " " and resid 1712 and name HD1%) 2.600 0.800 0.800 peak 908 spectrum 1 weight 0.10000E+01 volume 0.52759E-02 ppm1 7.260 ppm2 1.000 CV 1 ASSI { 910} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1709 and name H )) 2.700 0.900 0.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.22471E-02 ppm1 8.478 ppm2 8.036 CV 1 ASSI { 911} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1711 and name H )) 2.800 1.000 1.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.22388E-02 ppm1 8.478 ppm2 7.633 CV 1 ASSI { 914} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1713 and name H )) 3.500 1.600 1.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.83566E-03 ppm1 7.626 ppm2 7.272 CV 1 ASSI { 916} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1710 and name HB3 )) 2.500 0.800 0.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.37647E-02 ppm1 7.625 ppm2 4.050 CV 1 ASSI { 918} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1710 and name HB3 )) 2.200 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.80552E-02 ppm1 8.478 ppm2 4.047 CV 1 OR { 918} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1710 and name HA )) ASSI { 920} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1711 and name HB3 )) 2.900 1.000 1.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.42427E-02 ppm1 7.626 ppm2 3.289 CV 1 ASSI { 922} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1706 and name HA )) 3.600 1.600 1.600 peak 922 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 8.478 ppm2 3.332 CV 1 ASSI { 923} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1713 and name HB )) 4.400 2.400 1.600 peak 923 spectrum 1 weight 0.10000E+01 volume 0.44693E-03 ppm1 7.625 ppm2 1.925 CV 1 ASSI { 924} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1709 and name HB )) 2.500 0.800 0.800 peak 924 spectrum 1 weight 0.10000E+01 volume 0.30516E-02 ppm1 8.479 ppm2 1.802 CV 1 ASSI { 925} (( segid " " and resid 1710 and name H )) ( segid " " and resid 1713 and name HD1%) 3.200 1.300 1.300 peak 925 spectrum 1 weight 0.10000E+01 volume 0.11101E-02 ppm1 8.479 ppm2 1.004 CV 1 ASSI { 928} (( segid " " and resid 1710 and name H )) ( segid " " and resid 1709 and name HD1%) 4.500 2.600 1.500 peak 928 spectrum 1 weight 0.10000E+01 volume 0.65065E-03 ppm1 8.480 ppm2 0.243 CV 1 ASSI { 930} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1708 and name H )) 2.700 0.900 0.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 8.028 ppm2 7.762 CV 1 ASSI { 932} (( segid " " and resid 1708 and name H )) (( segid " " and resid 1707 and name H )) 2.700 0.900 0.900 peak 932 spectrum 1 weight 0.10000E+01 volume 0.26088E-02 ppm1 7.756 ppm2 8.242 CV 1 ASSI { 934} (( segid " " and resid 1708 and name H )) (( segid " " and resid 1708 and name HA )) 2.700 0.900 0.900 peak 934 spectrum 1 weight 0.10000E+01 volume 0.35568E-02 ppm1 7.756 ppm2 3.921 CV 1 ASSI { 936} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1708 and name HA )) 3.300 1.400 1.400 peak 936 spectrum 1 weight 0.10000E+01 volume 0.95624E-03 ppm1 8.029 ppm2 3.925 CV 1 ASSI { 939} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1709 and name HB )) 2.600 0.800 0.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.40245E-02 ppm1 8.028 ppm2 1.801 CV 1 ASSI { 940} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1709 and name HG13)) 2.200 0.600 0.600 peak 940 spectrum 1 weight 0.10000E+01 volume 0.22077E-02 ppm1 8.028 ppm2 1.688 CV 1 ASSI { 942} (( segid " " and resid 1708 and name H )) (( segid " " and resid 1708 and name HB3 )) 3.700 1.700 1.700 peak 942 spectrum 1 weight 0.10000E+01 volume 0.18729E-02 ppm1 7.756 ppm2 1.179 CV 1 ASSI { 943} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1708 and name HB3 )) 3.800 1.800 1.800 peak 943 spectrum 1 weight 0.10000E+01 volume 0.87309E-03 ppm1 8.030 ppm2 1.178 CV 1 ASSI { 944} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1709 and name HG12)) 3.300 1.300 1.300 peak 944 spectrum 1 weight 0.10000E+01 volume 0.28791E-02 ppm1 8.028 ppm2 0.814 CV 1 ASSI { 946} (( segid " " and resid 1706 and name H )) (( segid " " and resid 1707 and name H )) 2.700 0.900 0.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.28416E-02 ppm1 8.467 ppm2 8.241 CV 1 ASSI { 949} (( segid " " and resid 1706 and name H )) (( segid " " and resid 1705 and name H )) 2.700 0.900 0.900 peak 949 spectrum 1 weight 0.10000E+01 volume 0.29851E-02 ppm1 8.466 ppm2 7.456 CV 1 ASSI { 951} (( segid " " and resid 1662 and name H )) (( segid " " and resid 1662 and name HA )) 2.700 0.900 0.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.35609E-02 ppm1 8.257 ppm2 3.968 CV 1 ASSI { 952} (( segid " " and resid 1707 and name H )) (( segid " " and resid 1704 and name HA )) 3.200 1.300 1.300 peak 952 spectrum 1 weight 0.10000E+01 volume 0.14468E-02 ppm1 8.235 ppm2 3.882 CV 1 ASSI { 959} (( segid " " and resid 1707 and name H )) (( segid " " and resid 1706 and name HB )) 2.700 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.30183E-02 ppm1 8.235 ppm2 2.083 CV 1 ASSI { 960} (( segid " " and resid 1662 and name H )) (( segid " " and resid 1780 and name HD2 )) 3.400 1.400 1.400 peak 960 spectrum 1 weight 0.10000E+01 volume 0.83777E-03 ppm1 8.257 ppm2 1.594 CV 1 ASSI { 961} (( segid " " and resid 1707 and name H )) ( segid " " and resid 1705 and name HB% ) 4.000 2.000 2.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.92711E-03 ppm1 8.235 ppm2 1.562 CV 1 ASSI { 965} (( segid " " and resid 1705 and name H )) (( segid " " and resid 1704 and name H )) 2.700 0.900 0.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.35214E-02 ppm1 7.450 ppm2 8.407 CV 1 ASSI { 968} (( segid " " and resid 1704 and name H )) (( segid " " and resid 1701 and name HA )) 3.500 1.600 1.600 peak 968 spectrum 1 weight 0.10000E+01 volume 0.87513E-03 ppm1 8.391 ppm2 4.051 CV 1 ASSI { 972} (( segid " " and resid 1705 and name H )) (( segid " " and resid 1701 and name HA )) 4.300 2.300 1.700 peak 972 spectrum 1 weight 0.10000E+01 volume 0.36586E-03 ppm1 7.451 ppm2 4.055 CV 1 ASSI { 976} (( segid " " and resid 1704 and name H )) ( segid " " and resid 1704 and name HG2%) 3.400 1.500 1.500 peak 976 spectrum 1 weight 0.10000E+01 volume 0.27543E-02 ppm1 8.391 ppm2 1.277 CV 1 ASSI { 977} (( segid " " and resid 1704 and name H )) ( segid " " and resid 1703 and name HD1%) 3.500 1.600 1.600 peak 977 spectrum 1 weight 0.10000E+01 volume 0.10685E-02 ppm1 8.391 ppm2 0.892 CV 1 OR { 977} (( segid " " and resid 1704 and name H )) ( segid " " and resid 1703 and name HD2%) ASSI { 980} (( segid " " and resid 1705 and name H )) ( segid " " and resid 1706 and name HG2%) 3.800 1.800 1.800 peak 980 spectrum 1 weight 0.10000E+01 volume 0.11849E-02 ppm1 7.451 ppm2 0.979 CV 1 ASSI { 981} (( segid " " and resid 1705 and name H )) ( segid " " and resid 1703 and name HD2%) 4.200 2.200 1.800 peak 981 spectrum 1 weight 0.10000E+01 volume 0.54879E-03 ppm1 7.451 ppm2 0.901 CV 1 ASSI { 982} (( segid " " and resid 1704 and name H )) (( segid " " and resid 1702 and name H )) 3.800 1.800 1.800 peak 982 spectrum 1 weight 0.10000E+01 volume 0.53216E-03 ppm1 8.391 ppm2 8.298 CV 1 ASSI { 987} (( segid " " and resid 1700 and name H )) (( segid " " and resid 1699 and name HB2 )) 3.400 1.500 1.500 peak 987 spectrum 1 weight 0.10000E+01 volume 0.20912E-02 ppm1 8.327 ppm2 3.355 CV 1 ASSI { 991} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1699 and name HB2 )) 2.700 0.900 0.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.36815E-02 ppm1 8.626 ppm2 3.356 CV 1 ASSI { 992} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1700 and name H )) 2.700 0.900 0.900 peak 992 spectrum 1 weight 0.10000E+01 volume 0.29706E-02 ppm1 8.626 ppm2 8.328 CV 1 ASSI { 993} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1698 and name H )) 2.700 0.900 0.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.25486E-02 ppm1 8.626 ppm2 7.853 CV 1 ASSI { 994} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1696 and name H )) 2.800 1.000 1.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.20912E-02 ppm1 7.951 ppm2 8.917 CV 1 ASSI { 995} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1694 and name H )) 4.200 2.200 1.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.45525E-03 ppm1 7.951 ppm2 8.327 CV 1 ASSI { 997} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1694 and name HB2 )) 3.300 1.400 1.400 peak 997 spectrum 1 weight 0.10000E+01 volume 0.13325E-02 ppm1 8.909 ppm2 4.368 CV 1 ASSI { 998} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1696 and name HA )) 2.700 0.900 0.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.31452E-02 ppm1 8.909 ppm2 4.104 CV 1 ASSI { 1000} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1696 and name HG2 )) 3.300 1.300 1.300 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.13595E-02 ppm1 8.909 ppm2 2.363 CV 1 ASSI { 1001} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1696 and name HB2 )) 2.500 0.800 0.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.44215E-02 ppm1 8.909 ppm2 2.099 CV 1 ASSI { 1002} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1696 and name HB3 )) 2.800 1.000 1.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.51865E-02 ppm1 8.909 ppm2 2.002 CV 1 ASSI { 1003} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1696 and name HG2 )) 4.100 2.100 1.900 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.59037E-03 ppm1 7.950 ppm2 2.368 CV 1 ASSI { 1004} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1696 and name HB2 )) 3.100 1.200 1.200 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 7.950 ppm2 2.094 CV 1 ASSI { 1005} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1696 and name HB3 )) 3.300 1.300 1.300 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.18501E-02 ppm1 7.951 ppm2 1.989 CV 1 ASSI { 1006} (( segid " " and resid 1696 and name H )) ( segid " " and resid 1697 and name HB% ) 4.300 2.300 1.700 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.74006E-03 ppm1 8.910 ppm2 1.512 CV 1 ASSI { 1008} (( segid " " and resid 1695 and name H )) (( segid " " and resid 1694 and name HA )) 2.900 1.100 1.100 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.20455E-02 ppm1 9.015 ppm2 4.522 CV 1 ASSI { 1009} (( segid " " and resid 1695 and name H )) (( segid " " and resid 1694 and name HB2 )) 3.500 1.600 1.600 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.78994E-03 ppm1 9.014 ppm2 4.368 CV 1 ASSI { 1011} (( segid " " and resid 1694 and name H )) (( segid " " and resid 1693 and name HA )) 2.200 0.600 0.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.83920E-02 ppm1 8.317 ppm2 4.427 CV 1 ASSI { 1012} (( segid " " and resid 1694 and name H )) (( segid " " and resid 1694 and name HB3 )) 2.900 1.100 1.100 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.23365E-02 ppm1 8.317 ppm2 4.025 CV 1 ASSI { 1013} (( segid " " and resid 1695 and name H )) (( segid " " and resid 1695 and name HG3 )) 4.500 2.500 1.500 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.64026E-03 ppm1 9.016 ppm2 2.129 CV 1 ASSI { 1014} (( segid " " and resid 1695 and name H )) (( segid " " and resid 1695 and name HB2 )) 2.900 1.100 1.100 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.20039E-02 ppm1 9.015 ppm2 2.017 CV 1 OR { 1014} (( segid " " and resid 1695 and name H )) (( segid " " and resid 1695 and name HB3 )) ASSI { 1015} (( segid " " and resid 1694 and name H )) (( segid " " and resid 1693 and name HB )) 3.800 1.800 1.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.15196E-02 ppm1 8.317 ppm2 1.745 CV 1 ASSI { 1017} (( segid " " and resid 1694 and name H )) (( segid " " and resid 1693 and name HG13)) 2.600 0.800 0.800 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.16589E-02 ppm1 8.317 ppm2 1.271 CV 1 ASSI { 1018} (( segid " " and resid 1694 and name H )) ( segid " " and resid 1693 and name HG2%) 3.300 1.300 1.300 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.17566E-02 ppm1 8.317 ppm2 0.802 CV 1 ASSI { 1019} (( segid " " and resid 1693 and name H )) (( segid " " and resid 1693 and name HA )) 2.600 0.900 0.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.36690E-02 ppm1 7.386 ppm2 4.424 CV 1 ASSI { 1020} (( segid " " and resid 1693 and name H )) (( segid " " and resid 1693 and name HB )) 2.800 1.000 1.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.31868E-02 ppm1 7.386 ppm2 1.743 CV 1 ASSI { 1021} (( segid " " and resid 1693 and name H )) (( segid " " and resid 1693 and name HG12)) 4.000 2.000 2.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.12556E-02 ppm1 7.386 ppm2 1.515 CV 1 ASSI { 1022} (( segid " " and resid 1693 and name H )) ( segid " " and resid 1693 and name HG2%) 2.500 0.800 0.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.57893E-02 ppm1 7.386 ppm2 0.792 CV 1 ASSI { 1023} (( segid " " and resid 1691 and name H )) (( segid " " and resid 1690 and name H )) 4.800 2.900 1.200 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.35547E-03 ppm1 8.509 ppm2 8.064 CV 1 ASSI { 1027} (( segid " " and resid 1691 and name H )) (( segid " " and resid 1690 and name HA )) 2.200 0.600 0.600 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.10132E-01 ppm1 8.509 ppm2 4.290 CV 1 ASSI { 1030} (( segid " " and resid 1691 and name H )) (( segid " " and resid 1691 and name HG3 )) 3.400 1.400 1.400 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.14800E-02 ppm1 8.509 ppm2 2.319 CV 1 ASSI { 1032} (( segid " " and resid 1691 and name H )) (( segid " " and resid 1691 and name HB2 )) 3.000 1.100 1.100 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.20850E-02 ppm1 8.509 ppm2 2.059 CV 1 ASSI { 1033} (( segid " " and resid 1691 and name H )) (( segid " " and resid 1691 and name HB3 )) 2.900 1.100 1.100 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.39497E-02 ppm1 8.509 ppm2 1.901 CV 1 ASSI { 1034} (( segid " " and resid 1691 and name H )) (( segid " " and resid 1690 and name HB3 )) 2.800 1.000 1.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.32969E-02 ppm1 8.509 ppm2 1.704 CV 1 OR { 1034} (( segid " " and resid 1691 and name H )) (( segid " " and resid 1690 and name HB2 )) ASSI { 1035} (( segid " " and resid 1690 and name H )) (( segid " " and resid 1689 and name HB2 )) 3.300 1.400 1.400 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.15009E-02 ppm1 8.058 ppm2 2.136 CV 1 ASSI { 1036} (( segid " " and resid 1690 and name H )) (( segid " " and resid 1689 and name HB3 )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.72754E-03 ppm1 8.058 ppm2 1.852 CV 1 ASSI { 1037} (( segid " " and resid 1690 and name H )) (( segid " " and resid 1690 and name HB2 )) 2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.70114E-02 ppm1 8.058 ppm2 1.705 CV 1 OR { 1037} (( segid " " and resid 1690 and name H )) (( segid " " and resid 1690 and name HG2 )) ASSI { 1038} (( segid " " and resid 1690 and name H )) (( segid " " and resid 1751 and name HD2 )) 3.400 1.500 1.500 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.81280E-03 ppm1 8.058 ppm2 1.572 CV 1 ASSI { 1041} (( segid " " and resid 1687 and name H )) (( segid " " and resid 1688 and name H )) 4.400 2.400 1.600 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.52593E-03 ppm1 7.979 ppm2 8.300 CV 1 ASSI { 1042} (( segid " " and resid 1811 and name H )) (( segid " " and resid 1808 and name HA )) 3.300 1.300 1.300 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.14780E-02 ppm1 8.457 ppm2 4.020 CV 1 ASSI { 1045} (( segid " " and resid 1687 and name H )) (( segid " " and resid 1682 and name HA )) 3.000 1.100 1.100 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.24051E-02 ppm1 7.979 ppm2 4.167 CV 1 ASSI { 1046} (( segid " " and resid 1688 and name H )) (( segid " " and resid 1688 and name HA )) 2.700 0.900 0.900 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.31846E-02 ppm1 8.294 ppm2 4.569 CV 1 ASSI { 1048} (( segid " " and resid 1688 and name H )) (( segid " " and resid 1689 and name HD2 )) 5.100 3.300 0.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.43238E-03 ppm1 8.292 ppm2 3.913 CV 1 ASSI { 1049} (( segid " " and resid 1688 and name H )) (( segid " " and resid 1687 and name HB2 )) 4.400 2.500 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.64234E-03 ppm1 8.294 ppm2 1.917 CV 1 ASSI { 1051} (( segid " " and resid 1688 and name H )) (( segid " " and resid 1687 and name HG )) 4.500 2.500 1.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.59868E-03 ppm1 8.294 ppm2 1.250 CV 1 ASSI { 1052} (( segid " " and resid 1687 and name H )) (( segid " " and resid 1687 and name HB2 )) 2.300 0.600 0.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.44444E-02 ppm1 7.979 ppm2 1.917 CV 1 ASSI { 1053} (( segid " " and resid 1687 and name H )) (( segid " " and resid 1686 and name HB2 )) 3.800 1.800 1.800 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.60908E-03 ppm1 7.979 ppm2 1.698 CV 1 ASSI { 1056} (( segid " " and resid 1687 and name H )) (( segid " " and resid 1686 and name HG3 )) 4.200 2.200 1.800 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.80654E-03 ppm1 7.978 ppm2 2.368 CV 1 ASSI { 1057} (( segid " " and resid 1686 and name H )) (( segid " " and resid 1686 and name HG3 )) 2.700 0.900 0.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.29602E-02 ppm1 8.480 ppm2 2.368 CV 1 ASSI { 1058} (( segid " " and resid 1686 and name H )) (( segid " " and resid 1685 and name HB3 )) 3.300 1.400 1.400 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.21868E-02 ppm1 8.480 ppm2 2.293 CV 1 OR { 1058} (( segid " " and resid 1686 and name H )) (( segid " " and resid 1685 and name HB2 )) ASSI { 1059} (( segid " " and resid 1686 and name H )) (( segid " " and resid 1686 and name HB2 )) 2.600 0.800 0.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.28999E-02 ppm1 8.480 ppm2 1.695 CV 1 ASSI { 1060} (( segid " " and resid 1686 and name H )) ( segid " " and resid 1681 and name HB% ) 3.600 1.600 1.600 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.11184E-02 ppm1 8.481 ppm2 1.399 CV 1 ASSI { 1061} (( segid " " and resid 1686 and name H )) (( segid " " and resid 1687 and name HB3 )) 5.000 3.100 1.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.69637E-03 ppm1 8.478 ppm2 1.006 CV 1 ASSI { 1062} (( segid " " and resid 1687 and name H )) (( segid " " and resid 1687 and name HB3 )) 2.800 1.000 1.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.41430E-02 ppm1 7.978 ppm2 1.012 CV 1 ASSI { 1063} (( segid " " and resid 1687 and name H )) ( segid " " and resid 1687 and name HD1%) 3.900 1.900 1.900 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.12077E-02 ppm1 7.979 ppm2 0.849 CV 1 ASSI { 1065} (( segid " " and resid 1688 and name H )) ( segid " " and resid 1687 and name HD1%) 3.500 1.500 1.500 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.69637E-03 ppm1 8.293 ppm2 0.849 CV 1 ASSI { 1067} (( segid " " and resid 1684 and name H )) (( segid " " and resid 1683 and name H )) 2.700 0.900 0.900 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.31659E-02 ppm1 7.420 ppm2 8.370 CV 1 ASSI { 1068} (( segid " " and resid 1684 and name H )) (( segid " " and resid 1685 and name H )) 2.500 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.39559E-02 ppm1 7.420 ppm2 7.997 CV 1 ASSI { 1069} (( segid " " and resid 1685 and name H )) (( segid " " and resid 1686 and name H )) 2.900 1.100 1.100 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.29144E-02 ppm1 7.991 ppm2 8.488 CV 1 ASSI { 1070} (( segid " " and resid 1685 and name H )) (( segid " " and resid 1683 and name H )) 4.300 2.300 1.700 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.43654E-03 ppm1 7.991 ppm2 8.367 CV 1 ASSI { 1073} (( segid " " and resid 1684 and name H )) (( segid " " and resid 1685 and name HA )) 4.500 2.500 1.500 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.10477E-02 ppm1 7.417 ppm2 4.181 CV 1 ASSI { 1074} (( segid " " and resid 1684 and name H )) (( segid " " and resid 1684 and name HB2 )) 2.600 0.800 0.800 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.48975E-02 ppm1 7.420 ppm2 3.986 CV 1 OR { 1074} (( segid " " and resid 1684 and name H )) (( segid " " and resid 1684 and name HB3 )) ASSI { 1077} (( segid " " and resid 1685 and name H )) (( segid " " and resid 1684 and name HB2 )) 3.700 1.700 1.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.12348E-02 ppm1 7.991 ppm2 3.991 CV 1 OR { 1077} (( segid " " and resid 1685 and name H )) (( segid " " and resid 1684 and name HB3 )) ASSI { 1078} (( segid " " and resid 1685 and name H )) (( segid " " and resid 1685 and name HB2 )) 2.900 1.100 1.100 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.30183E-02 ppm1 7.991 ppm2 2.300 CV 1 ASSI { 1079} (( segid " " and resid 1685 and name H )) (( segid " " and resid 1685 and name HG2 )) 3.300 1.400 1.400 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.24820E-02 ppm1 7.991 ppm2 2.170 CV 1 ASSI { 1080} (( segid " " and resid 1684 and name H )) (( segid " " and resid 1683 and name HB )) 3.100 1.200 1.200 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.25714E-02 ppm1 7.420 ppm2 2.310 CV 1 ASSI { 1083} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1683 and name H )) 2.800 1.000 1.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.22181E-02 ppm1 8.750 ppm2 8.369 CV 1 ASSI { 1089} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1687 and name HB2 )) 3.600 1.700 1.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.49267E-03 ppm1 8.749 ppm2 1.917 CV 1 ASSI { 1091} (( segid " " and resid 1682 and name H )) ( segid " " and resid 1687 and name HD1%) 4.000 2.000 2.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.89180E-03 ppm1 8.749 ppm2 0.852 CV 1 ASSI { 1092} (( segid " " and resid 1682 and name H )) ( segid " " and resid 1762 and name HD2%) 3.800 1.800 1.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.75462E-03 ppm1 8.749 ppm2 0.773 CV 1 ASSI { 1093} (( segid " " and resid 1681 and name H )) (( segid " " and resid 1682 and name H )) 2.600 0.800 0.800 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.38603E-02 ppm1 7.878 ppm2 8.758 CV 1 ASSI { 1094} (( segid " " and resid 1681 and name H )) (( segid " " and resid 1679 and name H )) 4.100 2.100 1.900 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.41991E-03 ppm1 7.878 ppm2 8.485 CV 1 ASSI { 1095} (( segid " " and resid 1667 and name H )) (( segid " " and resid 1668 and name H )) 2.500 0.800 0.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.44797E-02 ppm1 7.977 ppm2 8.515 CV 1 ASSI { 1098} (( segid " " and resid 1681 and name H )) (( segid " " and resid 1681 and name HA )) 2.500 0.800 0.800 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.55773E-02 ppm1 7.878 ppm2 4.104 CV 1 ASSI { 1099} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1678 and name HA )) 4.200 2.200 1.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.34923E-03 ppm1 8.749 ppm2 4.279 CV 1 ASSI { 1102} (( segid " " and resid 1667 and name H )) (( segid " " and resid 1668 and name HB2 )) 4.200 2.200 1.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.91670E-03 ppm1 7.979 ppm2 1.269 CV 1 ASSI { 1106} (( segid " " and resid 1681 and name H )) ( segid " " and resid 1680 and name HD1%) 3.600 1.600 1.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.10643E-02 ppm1 7.878 ppm2 0.889 CV 1 ASSI { 1107} (( segid " " and resid 1679 and name H )) (( segid " " and resid 1678 and name H )) 2.600 0.900 0.900 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.34362E-02 ppm1 8.476 ppm2 8.108 CV 1 ASSI { 1108} (( segid " " and resid 1678 and name H )) (( segid " " and resid 1677 and name H )) 2.600 0.800 0.800 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.38852E-02 ppm1 8.101 ppm2 8.256 CV 1 ASSI { 1111} (( segid " " and resid 1679 and name H )) (( segid " " and resid 1678 and name HA )) 3.600 1.600 1.600 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.94583E-03 ppm1 8.476 ppm2 4.278 CV 1 ASSI { 1112} (( segid " " and resid 1679 and name H )) (( segid " " and resid 1679 and name HB2 )) 2.300 0.700 0.700 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.70325E-02 ppm1 8.476 ppm2 4.125 CV 1 ASSI { 1113} (( segid " " and resid 1679 and name H )) (( segid " " and resid 1679 and name HB3 )) 2.700 0.900 0.900 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.29373E-02 ppm1 8.477 ppm2 3.995 CV 1 ASSI { 1114} (( segid " " and resid 1678 and name H )) (( segid " " and resid 1674 and name HA )) 3.800 1.800 1.800 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.65481E-03 ppm1 8.102 ppm2 4.478 CV 1 ASSI { 1119} (( segid " " and resid 1679 and name H )) ( segid " " and resid 1762 and name HD2%) 3.000 1.100 1.100 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.16879E-02 ppm1 8.477 ppm2 0.769 CV 1 ASSI { 1120} (( segid " " and resid 1676 and name H )) (( segid " " and resid 1675 and name H )) 2.700 0.900 0.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.24800E-02 ppm1 8.721 ppm2 8.558 CV 1 ASSI { 1121} (( segid " " and resid 1676 and name H )) (( segid " " and resid 1677 and name H )) 2.600 0.800 0.800 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.35921E-02 ppm1 8.721 ppm2 8.254 CV 1 ASSI { 1125} (( segid " " and resid 1676 and name H )) (( segid " " and resid 1672 and name HA )) 3.600 1.600 1.600 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.74836E-03 ppm1 8.721 ppm2 3.940 CV 1 ASSI { 1128} (( segid " " and resid 1676 and name H )) (( segid " " and resid 1675 and name HB2 )) 2.700 0.900 0.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 8.721 ppm2 2.062 CV 1 ASSI { 1130} (( segid " " and resid 1676 and name H )) (( segid " " and resid 1675 and name HB3 )) 3.400 1.400 1.400 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.15466E-02 ppm1 8.722 ppm2 1.384 CV 1 ASSI { 1131} (( segid " " and resid 1676 and name H )) ( segid " " and resid 1675 and name HD2%) 4.400 2.400 1.600 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.79409E-03 ppm1 8.721 ppm2 0.962 CV 1 ASSI { 1132} (( segid " " and resid 1676 and name H )) ( segid " " and resid 1675 and name HD1%) 4.400 2.400 1.600 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.76911E-03 ppm1 8.721 ppm2 0.794 CV 1 ASSI { 1133} (( segid " " and resid 1675 and name H )) (( segid " " and resid 1674 and name H )) 2.700 0.900 0.900 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.25465E-02 ppm1 8.550 ppm2 7.897 CV 1 ASSI { 1136} (( segid " " and resid 1674 and name H )) (( segid " " and resid 1673 and name H )) 2.600 0.800 0.800 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.36524E-02 ppm1 7.888 ppm2 7.762 CV 1 ASSI { 1137} (( segid " " and resid 1674 and name H )) (( segid " " and resid 1673 and name HA )) 3.300 1.300 1.300 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.14739E-02 ppm1 7.889 ppm2 4.220 CV 1 ASSI { 1140} (( segid " " and resid 1675 and name H )) (( segid " " and resid 1674 and name HB2 )) 3.400 1.400 1.400 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.14551E-02 ppm1 8.551 ppm2 2.973 CV 1 ASSI { 1141} (( segid " " and resid 1675 and name H )) (( segid " " and resid 1674 and name HB3 )) 3.200 1.300 1.300 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.11433E-02 ppm1 8.551 ppm2 2.524 CV 1 ASSI { 1142} (( segid " " and resid 1675 and name H )) (( segid " " and resid 1675 and name HB2 )) 2.500 0.800 0.800 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.28978E-02 ppm1 8.551 ppm2 2.061 CV 1 ASSI { 1143} (( segid " " and resid 1675 and name H )) (( segid " " and resid 1675 and name HG )) 2.500 0.800 0.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.38416E-02 ppm1 8.550 ppm2 1.954 CV 1 ASSI { 1144} (( segid " " and resid 1675 and name H )) ( segid " " and resid 1678 and name HB% ) 4.300 2.300 1.700 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.50930E-03 ppm1 8.551 ppm2 1.610 CV 1 ASSI { 1145} (( segid " " and resid 1675 and name H )) (( segid " " and resid 1675 and name HB3 )) 3.600 1.600 1.600 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.22077E-02 ppm1 8.551 ppm2 1.381 CV 1 ASSI { 1150} (( segid " " and resid 1673 and name H )) (( segid " " and resid 1673 and name HA )) 2.500 0.800 0.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.55274E-02 ppm1 7.755 ppm2 4.221 CV 1 ASSI { 1151} (( segid " " and resid 1673 and name H )) (( segid " " and resid 1672 and name HA )) 3.400 1.500 1.500 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.87724E-03 ppm1 7.758 ppm2 3.937 CV 1 ASSI { 1155} (( segid " " and resid 1673 and name H )) (( segid " " and resid 1672 and name HB3 )) 2.700 0.900 0.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.27959E-02 ppm1 7.756 ppm2 1.643 CV 1 ASSI { 1156} (( segid " " and resid 1673 and name H )) ( segid " " and resid 1672 and name HD2%) 4.400 2.400 1.600 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.52177E-03 ppm1 7.756 ppm2 0.895 CV 1 ASSI { 1157} (( segid " " and resid 1670 and name H )) (( segid " " and resid 1669 and name H )) 2.500 0.800 0.800 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.34195E-02 ppm1 7.876 ppm2 8.659 CV 1 ASSI { 1158} (( segid " " and resid 1670 and name H )) (( segid " " and resid 1671 and name H )) 2.600 0.800 0.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.40910E-02 ppm1 7.878 ppm2 7.969 CV 1 ASSI { 1159} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1668 and name H )) 2.600 0.800 0.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.30392E-02 ppm1 8.652 ppm2 8.526 CV 1 ASSI { 1162} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1669 and name HD22)) 5.300 3.600 0.700 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.62987E-03 ppm1 8.651 ppm2 7.234 CV 1 ASSI { 1163} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1669 and name HD21)) 5.000 3.100 1.000 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.41991E-03 ppm1 8.652 ppm2 6.603 CV 1 ASSI { 1165} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1666 and name HA )) 2.900 1.100 1.100 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.26067E-02 ppm1 8.653 ppm2 4.238 CV 1 ASSI { 1166} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1668 and name HA )) 3.500 1.500 1.500 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.82940E-03 ppm1 8.653 ppm2 3.877 CV 1 ASSI { 1167} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1665 and name HA )) 4.000 2.000 2.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.43654E-03 ppm1 8.652 ppm2 3.389 CV 1 ASSI { 1168} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1669 and name HB3 )) 2.800 1.000 1.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.48643E-02 ppm1 8.652 ppm2 2.974 CV 1 ASSI { 1169} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1669 and name HB2 )) 2.400 0.700 0.700 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 8.652 ppm2 2.687 CV 1 ASSI { 1170} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1668 and name HB3 )) 2.800 1.000 1.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.18106E-02 ppm1 8.652 ppm2 1.817 CV 1 ASSI { 1171} (( segid " " and resid 1669 and name H )) ( segid " " and resid 1667 and name HB% ) 3.100 1.200 1.200 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.77748E-03 ppm1 8.653 ppm2 1.637 CV 1 ASSI { 1173} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1668 and name HB2 )) 3.600 1.600 1.600 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.19748E-02 ppm1 8.652 ppm2 1.289 CV 1 ASSI { 1176} (( segid " " and resid 1669 and name H )) ( segid " " and resid 1668 and name HD2%) 4.800 2.900 1.200 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.41991E-03 ppm1 8.653 ppm2 0.371 CV 1 ASSI { 1177} (( segid " " and resid 1669 and name H )) ( segid " " and resid 1668 and name HD1%) 4.800 2.900 1.200 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.43030E-03 ppm1 8.652 ppm2 0.229 CV 1 ASSI { 1180} (( segid " " and resid 1668 and name H )) (( segid " " and resid 1667 and name HA )) 3.300 1.400 1.400 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.13366E-02 ppm1 8.520 ppm2 4.253 CV 1 ASSI { 1181} (( segid " " and resid 1668 and name H )) (( segid " " and resid 1664 and name HA )) 3.900 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.46564E-03 ppm1 8.520 ppm2 4.121 CV 1 ASSI { 1184} (( segid " " and resid 1668 and name H )) (( segid " " and resid 1668 and name HB3 )) 2.400 0.700 0.700 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.46190E-02 ppm1 8.520 ppm2 1.817 CV 1 ASSI { 1186} (( segid " " and resid 1668 and name H )) ( segid " " and resid 1666 and name HB% ) 4.600 2.600 1.400 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.63818E-03 ppm1 8.520 ppm2 1.553 CV 1 ASSI { 1187} (( segid " " and resid 1668 and name H )) (( segid " " and resid 1668 and name HB2 )) 2.400 0.700 0.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.49329E-02 ppm1 8.520 ppm2 1.291 CV 1 ASSI { 1192} (( segid " " and resid 1666 and name H )) (( segid " " and resid 1667 and name H )) 2.600 0.900 0.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.41949E-02 ppm1 7.719 ppm2 7.985 CV 1 ASSI { 1193} (( segid " " and resid 1666 and name H )) (( segid " " and resid 1668 and name H )) 4.000 2.000 2.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.45109E-03 ppm1 7.718 ppm2 8.537 CV 1 ASSI { 1194} (( segid " " and resid 1666 and name H )) (( segid " " and resid 1665 and name H )) 2.700 0.900 0.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.29996E-02 ppm1 7.718 ppm2 8.429 CV 1 ASSI { 1196} (( segid " " and resid 1680 and name H )) (( segid " " and resid 1679 and name HB3 )) 2.900 1.100 1.100 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.15237E-02 ppm1 7.976 ppm2 3.987 CV 1 ASSI { 1200} (( segid " " and resid 1666 and name H )) (( segid " " and resid 1665 and name HB )) 2.700 0.900 0.900 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.32532E-02 ppm1 7.719 ppm2 1.814 CV 1 ASSI { 1201} (( segid " " and resid 1666 and name H )) ( segid " " and resid 1667 and name HB% ) 4.200 2.300 1.800 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.94583E-03 ppm1 7.718 ppm2 1.646 CV 1 ASSI { 1204} (( segid " " and resid 1666 and name H )) ( segid " " and resid 1665 and name HD1%) 4.700 2.800 1.300 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.71304E-03 ppm1 7.719 ppm2 0.457 CV 1 ASSI { 1205} (( segid " " and resid 1666 and name H )) ( segid " " and resid 1664 and name HB% ) 4.400 2.400 1.600 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.48643E-03 ppm1 7.718 ppm2 1.429 CV 1 ASSI { 1206} (( segid " " and resid 1664 and name H )) (( segid " " and resid 1663 and name H )) 2.700 0.900 0.900 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.30017E-02 ppm1 8.068 ppm2 8.562 CV 1 ASSI { 1207} (( segid " " and resid 1664 and name H )) (( segid " " and resid 1665 and name H )) 2.700 0.900 0.900 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.26088E-02 ppm1 8.069 ppm2 8.427 CV 1 ASSI { 1208} (( segid " " and resid 1664 and name H )) (( segid " " and resid 1666 and name H )) 4.300 2.300 1.700 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.35339E-03 ppm1 8.069 ppm2 7.727 CV 1 ASSI { 1210} (( segid " " and resid 1664 and name H )) (( segid " " and resid 1664 and name HA )) 2.600 0.900 0.900 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.46959E-02 ppm1 8.068 ppm2 4.126 CV 1 ASSI { 1211} (( segid " " and resid 1664 and name H )) (( segid " " and resid 1663 and name HA )) 3.200 1.200 1.200 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.18044E-02 ppm1 8.068 ppm2 3.973 CV 1 ASSI { 1213} (( segid " " and resid 1664 and name H )) (( segid " " and resid 1665 and name HB )) 4.700 2.800 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.47604E-03 ppm1 8.068 ppm2 1.817 CV 1 ASSI { 1214} (( segid " " and resid 1664 and name H )) ( segid " " and resid 1667 and name HB% ) 4.300 2.300 1.700 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.60076E-03 ppm1 8.068 ppm2 1.638 CV 1 ASSI { 1216} (( segid " " and resid 1664 and name H )) ( segid " " and resid 1663 and name HG2%) 3.400 1.500 1.500 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.12971E-02 ppm1 8.069 ppm2 1.267 CV 1 ASSI { 1217} (( segid " " and resid 1663 and name H )) (( segid " " and resid 1662 and name H )) 2.700 0.900 0.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.28063E-02 ppm1 8.552 ppm2 8.264 CV 1 ASSI { 1221} (( segid " " and resid 1663 and name H )) (( segid " " and resid 1659 and name HA )) 3.400 1.500 1.500 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 8.553 ppm2 4.122 CV 1 ASSI { 1222} (( segid " " and resid 1663 and name H )) (( segid " " and resid 1663 and name HA )) 2.500 0.800 0.800 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.52904E-02 ppm1 8.553 ppm2 3.976 CV 1 ASSI { 1223} (( segid " " and resid 1707 and name H )) (( segid " " and resid 1706 and name HA )) 3.300 1.400 1.400 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.89595E-03 ppm1 8.236 ppm2 3.329 CV 1 ASSI { 1225} (( segid " " and resid 1663 and name H )) (( segid " " and resid 1662 and name HG2 )) 4.200 2.200 1.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.50514E-03 ppm1 8.551 ppm2 2.452 CV 1 OR { 1225} (( segid " " and resid 1663 and name H )) (( segid " " and resid 1662 and name HG3 )) ASSI { 1226} (( segid " " and resid 1663 and name H )) (( segid " " and resid 1662 and name HB2 )) 3.400 1.500 1.500 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.26442E-02 ppm1 8.553 ppm2 2.249 CV 1 ASSI { 1228} (( segid " " and resid 1663 and name H )) ( segid " " and resid 1664 and name HB% ) 4.200 2.200 1.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.77952E-03 ppm1 8.553 ppm2 1.429 CV 1 ASSI { 1230} (( segid " " and resid 1663 and name H )) ( segid " " and resid 1659 and name HD2%) 3.300 1.300 1.300 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.55711E-03 ppm1 8.554 ppm2 0.910 CV 1 ASSI { 1231} (( segid " " and resid 1660 and name H )) (( segid " " and resid 1659 and name H )) 2.800 1.000 1.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.27086E-02 ppm1 9.630 ppm2 8.629 CV 1 ASSI { 1233} (( segid " " and resid 1660 and name H )) (( segid " " and resid 1659 and name HA )) 3.300 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.15341E-02 ppm1 9.631 ppm2 4.120 CV 1 ASSI { 1234} (( segid " " and resid 1660 and name H )) (( segid " " and resid 1660 and name HA )) 2.700 0.900 0.900 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.31556E-02 ppm1 9.630 ppm2 3.950 CV 1 ASSI { 1236} (( segid " " and resid 1660 and name H )) (( segid " " and resid 1660 and name HG3 )) 3.300 1.400 1.400 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.17066E-02 ppm1 9.630 ppm2 2.246 CV 1 ASSI { 1237} (( segid " " and resid 1660 and name H )) (( segid " " and resid 1660 and name HB2 )) 2.600 0.900 0.900 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.24571E-02 ppm1 9.631 ppm2 2.085 CV 1 ASSI { 1238} (( segid " " and resid 1660 and name H )) (( segid " " and resid 1660 and name HB3 )) 3.700 1.700 1.700 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.17524E-02 ppm1 9.631 ppm2 1.875 CV 1 ASSI { 1239} (( segid " " and resid 1660 and name H )) (( segid " " and resid 1659 and name HB3 )) 2.400 0.700 0.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.37418E-02 ppm1 9.631 ppm2 1.611 CV 1 ASSI { 1240} (( segid " " and resid 1660 and name H )) ( segid " " and resid 1659 and name HD2%) 4.200 2.200 1.800 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.79198E-03 ppm1 9.631 ppm2 0.909 CV 1 OR { 1240} (( segid " " and resid 1660 and name H )) ( segid " " and resid 1659 and name HD1%) ASSI { 1242} (( segid " " and resid 1661 and name H )) (( segid " " and resid 1660 and name HB3 )) 3.900 1.900 1.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.75877E-03 ppm1 8.186 ppm2 1.878 CV 1 ASSI { 1243} (( segid " " and resid 1661 and name H )) ( segid " " and resid 1664 and name HB% ) 4.200 2.200 1.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.64441E-03 ppm1 8.187 ppm2 1.426 CV 1 ASSI { 1246} (( segid " " and resid 1659 and name H )) (( segid " " and resid 1659 and name HA )) 2.700 0.900 0.900 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.36129E-02 ppm1 8.621 ppm2 4.121 CV 1 ASSI { 1247} (( segid " " and resid 1659 and name H )) (( segid " " and resid 1658 and name HA )) 3.300 1.300 1.300 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.13866E-02 ppm1 8.620 ppm2 3.923 CV 1 ASSI { 1249} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1658 and name HG2 )) 3.100 1.200 1.200 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.32408E-02 ppm1 7.781 ppm2 2.311 CV 1 ASSI { 1250} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1658 and name HB2 )) 2.200 0.600 0.600 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.65917E-02 ppm1 7.781 ppm2 2.192 CV 1 ASSI { 1251} (( segid " " and resid 1658 and name H )) ( segid " " and resid 1655 and name HB% ) 3.400 1.400 1.400 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.96039E-03 ppm1 7.780 ppm2 1.446 CV 1 ASSI { 1252} (( segid " " and resid 1659 and name H )) (( segid " " and resid 1658 and name HG3 )) 4.600 2.700 1.400 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.43862E-03 ppm1 8.621 ppm2 2.446 CV 1 ASSI { 1253} (( segid " " and resid 1659 and name H )) (( segid " " and resid 1658 and name HG2 )) 4.500 2.500 1.500 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.57998E-03 ppm1 8.622 ppm2 2.301 CV 1 ASSI { 1254} (( segid " " and resid 1659 and name H )) (( segid " " and resid 1658 and name HB2 )) 2.700 0.900 0.900 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.36648E-02 ppm1 8.621 ppm2 2.193 CV 1 OR { 1254} (( segid " " and resid 1659 and name H )) (( segid " " and resid 1658 and name HB3 )) ASSI { 1255} (( segid " " and resid 1659 and name H )) (( segid " " and resid 1659 and name HB3 )) 2.200 0.600 0.600 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.90799E-02 ppm1 8.621 ppm2 1.615 CV 1 ASSI { 1256} (( segid " " and resid 1659 and name H )) ( segid " " and resid 1659 and name HD1%) 4.200 2.300 1.800 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.13013E-02 ppm1 8.621 ppm2 0.896 CV 1 OR { 1256} (( segid " " and resid 1659 and name H )) ( segid " " and resid 1659 and name HD2%) ASSI { 1259} (( segid " " and resid 1657 and name H )) (( segid " " and resid 1657 and name HA3 )) 2.700 0.900 0.900 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.27190E-02 ppm1 8.744 ppm2 4.113 CV 1 ASSI { 1260} (( segid " " and resid 1657 and name H )) (( segid " " and resid 1657 and name HA2 )) 2.700 0.900 0.900 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.34923E-02 ppm1 8.744 ppm2 3.664 CV 1 ASSI { 1262} (( segid " " and resid 1657 and name H )) (( segid " " and resid 1656 and name HG2 )) 4.400 2.400 1.600 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.48643E-03 ppm1 8.745 ppm2 2.072 CV 1 ASSI { 1263} (( segid " " and resid 1657 and name H )) (( segid " " and resid 1656 and name HB2 )) 3.400 1.400 1.400 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.93337E-03 ppm1 8.744 ppm2 1.863 CV 1 ASSI { 1264} (( segid " " and resid 1655 and name H )) (( segid " " and resid 1654 and name H )) 3.800 1.800 1.800 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.16443E-02 ppm1 8.151 ppm2 7.809 CV 1 ASSI { 1266} (( segid " " and resid 1654 and name H )) (( segid " " and resid 1653 and name H )) 3.100 1.200 1.200 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.15674E-02 ppm1 7.803 ppm2 8.208 CV 1 ASSI { 1268} (( segid " " and resid 1655 and name H )) (( segid " " and resid 1655 and name HA )) 2.800 0.900 0.900 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.26878E-02 ppm1 8.152 ppm2 4.611 CV 1 ASSI { 1269} (( segid " " and resid 1655 and name H )) (( segid " " and resid 1654 and name HA )) 2.300 0.600 0.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.92215E-02 ppm1 8.152 ppm2 4.316 CV 1 ASSI { 1271} (( segid " " and resid 1655 and name H )) (( segid " " and resid 1656 and name HD3 )) 4.600 2.600 1.400 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.64026E-03 ppm1 8.151 ppm2 3.901 CV 1 ASSI { 1273} (( segid " " and resid 1654 and name H )) (( segid " " and resid 1654 and name HA )) 2.900 1.000 1.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.22035E-02 ppm1 7.804 ppm2 4.317 CV 1 ASSI { 1274} (( segid " " and resid 1654 and name H )) (( segid " " and resid 1654 and name HB )) 3.100 1.200 1.200 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.17982E-02 ppm1 7.804 ppm2 4.153 CV 1 ASSI { 1276} (( segid " " and resid 1653 and name H )) (( segid " " and resid 1652 and name HD3 )) 3.900 1.900 1.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.93337E-03 ppm1 8.215 ppm2 3.755 CV 1 ASSI { 1280} (( segid " " and resid 1653 and name H )) (( segid " " and resid 1653 and name HB2 )) 2.900 1.100 1.100 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.20164E-02 ppm1 8.214 ppm2 3.212 CV 1 ASSI { 1281} (( segid " " and resid 1653 and name H )) (( segid " " and resid 1653 and name HB3 )) 3.200 1.300 1.300 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.35713E-02 ppm1 8.214 ppm2 3.131 CV 1 ASSI { 1285} (( segid " " and resid 1677 and name H )) (( segid " " and resid 1677 and name HG3 )) 3.500 1.500 1.500 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.19062E-02 ppm1 8.246 ppm2 2.489 CV 1 ASSI { 1286} (( segid " " and resid 1654 and name H )) (( segid " " and resid 1653 and name HB2 )) 3.900 1.900 1.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.40743E-03 ppm1 7.806 ppm2 3.202 CV 1 ASSI { 1287} (( segid " " and resid 1655 and name H )) (( segid " " and resid 1658 and name HG3 )) 4.100 2.200 1.900 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.68392E-03 ppm1 8.151 ppm2 2.444 CV 1 ASSI { 1288} (( segid " " and resid 1655 and name H )) (( segid " " and resid 1658 and name HG2 )) 4.000 2.000 2.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.39497E-03 ppm1 8.153 ppm2 2.313 CV 1 ASSI { 1289} (( segid " " and resid 1655 and name H )) (( segid " " and resid 1658 and name HB2 )) 3.300 1.300 1.300 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.12431E-02 ppm1 8.152 ppm2 2.192 CV 1 OR { 1289} (( segid " " and resid 1655 and name H )) (( segid " " and resid 1658 and name HB3 )) ASSI { 1290} (( segid " " and resid 1653 and name H )) (( segid " " and resid 1652 and name HG3 )) 4.400 2.400 1.600 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.60284E-03 ppm1 8.215 ppm2 1.767 CV 1 ASSI { 1291} (( segid " " and resid 1653 and name H )) (( segid " " and resid 1652 and name HB3 )) 4.000 2.000 2.000 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.80450E-03 ppm1 8.215 ppm2 1.677 CV 1 ASSI { 1293} (( segid " " and resid 1655 and name H )) ( segid " " and resid 1654 and name HG2%) 3.500 1.500 1.500 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.15736E-02 ppm1 8.152 ppm2 1.222 CV 1 ASSI { 1294} (( segid " " and resid 1654 and name H )) ( segid " " and resid 1654 and name HG2%) 3.300 1.400 1.400 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 7.804 ppm2 1.223 CV 1 ASSI { 1295} (( segid " " and resid 1674 and name H )) (( segid " " and resid 1672 and name H )) 4.400 2.400 1.600 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.33676E-03 ppm1 7.892 ppm2 8.470 CV 1 ASSI { 1296} (( segid " " and resid 1673 and name H )) (( segid " " and resid 1675 and name H )) 4.400 2.400 1.600 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.30142E-03 ppm1 7.755 ppm2 8.560 CV 1 ASSI { 1297} (( segid " " and resid 1674 and name H )) (( segid " " and resid 1676 and name H )) 4.700 2.700 1.300 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.21204E-03 ppm1 7.890 ppm2 8.730 CV 1 ASSI { 1298} (( segid " " and resid 1673 and name H )) (( segid " " and resid 1671 and name HA )) 5.300 3.500 0.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.93542E-04 ppm1 7.753 ppm2 4.365 CV 1 ASSI { 1299} (( segid " " and resid 1673 and name H )) (( segid " " and resid 1674 and name HB2 )) 5.100 3.200 0.900 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.24321E-03 ppm1 7.753 ppm2 2.973 CV 1 ASSI { 1300} (( segid " " and resid 1674 and name H )) ( segid " " and resid 1746 and name HG1%) 5.400 3.700 0.600 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.14967E-03 ppm1 7.896 ppm2 1.056 CV 1 ASSI { 1301} (( segid " " and resid 1674 and name H )) ( segid " " and resid 1675 and name HD2%) 5.400 3.700 0.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.26816E-03 ppm1 7.890 ppm2 0.944 CV 1 ASSI { 1302} (( segid " " and resid 1674 and name H )) ( segid " " and resid 1675 and name HD1%) 5.100 3.200 0.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22035E-03 ppm1 7.890 ppm2 0.793 CV 1 ASSI { 1304} (( segid " " and resid 1671 and name H )) (( segid " " and resid 1673 and name H )) 5.100 3.200 0.900 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.18085E-03 ppm1 7.968 ppm2 7.766 CV 1 ASSI { 1308} (( segid " " and resid 1670 and name H )) (( segid " " and resid 1669 and name HB2 )) 3.600 1.600 1.600 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.16214E-02 ppm1 7.877 ppm2 2.687 CV 1 ASSI { 1309} (( segid " " and resid 1670 and name H )) (( segid " " and resid 1672 and name HB2 )) 5.100 3.300 0.900 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.14136E-03 ppm1 7.876 ppm2 1.929 CV 1 ASSI { 1310} (( segid " " and resid 1670 and name H )) ( segid " " and resid 1667 and name HB% ) 3.200 1.300 1.300 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.66936E-03 ppm1 7.876 ppm2 1.641 CV 1 ASSI { 1311} (( segid " " and resid 1670 and name H )) ( segid " " and resid 1666 and name HB% ) 3.400 1.500 1.500 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.42199E-03 ppm1 7.877 ppm2 1.556 CV 1 ASSI { 1312} (( segid " " and resid 1670 and name H )) (( segid " " and resid 1668 and name HB2 )) 5.300 3.500 0.700 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.25153E-03 ppm1 7.879 ppm2 1.295 CV 1 ASSI { 1313} (( segid " " and resid 1670 and name H )) (( segid " " and resid 1668 and name HA )) 4.100 2.100 1.900 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.35339E-03 ppm1 7.880 ppm2 3.872 CV 1 ASSI { 1314} (( segid " " and resid 1670 and name H )) (( segid " " and resid 1670 and name HB2 )) 2.300 0.700 0.700 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.91983E-02 ppm1 7.877 ppm2 4.227 CV 1 OR { 1314} (( segid " " and resid 1670 and name H )) (( segid " " and resid 1670 and name HA )) ASSI { 1316} (( segid " " and resid 1670 and name H )) (( segid " " and resid 1671 and name HB2 )) 4.900 3.000 1.100 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.35547E-03 ppm1 7.877 ppm2 3.240 CV 1 ASSI { 1317} (( segid " " and resid 1670 and name H )) ( segid " " and resid 1672 and name HD2%) 4.600 2.600 1.400 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.30766E-03 ppm1 7.879 ppm2 0.911 CV 1 ASSI { 1318} (( segid " " and resid 1670 and name H )) ( segid " " and resid 1773 and name HD2%) 4.700 2.800 1.300 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.34715E-03 ppm1 7.879 ppm2 0.832 CV 1 ASSI { 1319} (( segid " " and resid 1670 and name H )) ( segid " " and resid 1668 and name HD1%) 5.400 3.600 0.600 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.20580E-03 ppm1 7.880 ppm2 0.222 CV 1 ASSI { 1320} (( segid " " and resid 1671 and name H )) ( segid " " and resid 1668 and name HD1%) 4.600 2.600 1.400 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.35339E-03 ppm1 7.969 ppm2 0.232 CV 1 ASSI { 1321} (( segid " " and resid 1671 and name H )) ( segid " " and resid 1668 and name HD2%) 5.200 3.400 0.800 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.25153E-03 ppm1 7.969 ppm2 0.373 CV 1 ASSI { 1323} (( segid " " and resid 1671 and name H )) (( segid " " and resid 1669 and name H )) 4.700 2.800 1.300 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.27440E-03 ppm1 7.968 ppm2 8.661 CV 1 ASSI { 1324} (( segid " " and resid 1668 and name H )) (( segid " " and resid 1665 and name H )) 4.800 2.900 1.200 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.15590E-03 ppm1 8.522 ppm2 8.431 CV 1 ASSI { 1325} (( segid " " and resid 1668 and name H )) (( segid " " and resid 1670 and name H )) 4.600 2.600 1.400 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.33468E-03 ppm1 8.521 ppm2 7.881 CV 1 ASSI { 1329} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1672 and name HB2 )) 5.200 3.400 0.800 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.11849E-03 ppm1 8.656 ppm2 1.940 CV 1 ASSI { 1331} (( segid " " and resid 1666 and name H )) (( segid " " and resid 1669 and name H )) 5.400 3.700 0.600 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.81069E-04 ppm1 7.722 ppm2 8.660 CV 1 ASSI { 1333} (( segid " " and resid 1666 and name H )) (( segid " " and resid 1664 and name HA )) 4.300 2.300 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.27647E-03 ppm1 7.719 ppm2 4.123 CV 1 ASSI { 1334} (( segid " " and resid 1666 and name H )) ( segid " " and resid 1773 and name HD1%) 5.200 3.400 0.800 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.16630E-03 ppm1 7.721 ppm2 0.925 CV 1 ASSI { 1335} (( segid " " and resid 1666 and name H )) (( segid " " and resid 1665 and name HG13)) 4.800 2.900 1.200 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.34299E-03 ppm1 7.718 ppm2 0.592 CV 1 ASSI { 1337} (( segid " " and resid 1664 and name H )) (( segid " " and resid 1662 and name H )) 4.600 2.600 1.400 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.25984E-03 ppm1 8.069 ppm2 8.268 CV 1 ASSI { 1338} (( segid " " and resid 1664 and name H )) (( segid " " and resid 1667 and name H )) 4.700 2.800 1.300 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.21827E-03 ppm1 8.065 ppm2 7.982 CV 1 ASSI { 1340} (( segid " " and resid 1664 and name H )) (( segid " " and resid 1662 and name HB2 )) 5.500 3.800 0.500 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.19332E-03 ppm1 8.068 ppm2 2.250 CV 1 ASSI { 1341} (( segid " " and resid 1664 and name H )) (( segid " " and resid 1662 and name HB3 )) 6.000 4.800 0.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.68596E-04 ppm1 8.068 ppm2 2.144 CV 1 ASSI { 1342} (( segid " " and resid 1664 and name H )) ( segid " " and resid 1666 and name HB% ) 5.400 3.700 0.600 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.11641E-03 ppm1 8.064 ppm2 1.557 CV 1 ASSI { 1343} (( segid " " and resid 1664 and name H )) ( segid " " and resid 1731 and name HG1%) 3.900 1.900 1.900 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.75877E-03 ppm1 8.068 ppm2 0.931 CV 1 ASSI { 1344} (( segid " " and resid 1664 and name H )) ( segid " " and resid 1776 and name HD1%) 4.600 2.700 1.400 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.52177E-03 ppm1 8.071 ppm2 0.807 CV 1 ASSI { 1345} (( segid " " and resid 1664 and name H )) (( segid " " and resid 1665 and name HG13)) 5.200 3.400 0.800 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.17254E-03 ppm1 8.070 ppm2 0.601 CV 1 ASSI { 1346} (( segid " " and resid 1664 and name H )) ( segid " " and resid 1665 and name HD1%) 5.300 3.500 0.700 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.24945E-03 ppm1 8.068 ppm2 0.453 CV 1 ASSI { 1347} (( segid " " and resid 1663 and name H )) (( segid " " and resid 1665 and name H )) 4.300 2.300 1.700 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.29310E-03 ppm1 8.558 ppm2 8.423 CV 1 ASSI { 1348} (( segid " " and resid 1662 and name H )) (( segid " " and resid 1660 and name H )) 4.900 3.000 1.100 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.19332E-03 ppm1 8.258 ppm2 9.640 CV 1 ASSI { 1349} (( segid " " and resid 1662 and name H )) (( segid " " and resid 1663 and name HB )) 5.800 4.200 0.200 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.15383E-03 ppm1 8.263 ppm2 4.228 CV 1 ASSI { 1350} (( segid " " and resid 1663 and name H )) (( segid " " and resid 1665 and name HB )) 4.800 2.900 1.200 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.18293E-03 ppm1 8.548 ppm2 1.825 CV 1 ASSI { 1351} (( segid " " and resid 1662 and name H )) ( segid " " and resid 1664 and name HB% ) 4.400 2.400 1.600 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.40536E-03 ppm1 8.257 ppm2 1.424 CV 1 ASSI { 1352} (( segid " " and resid 1662 and name H )) ( segid " " and resid 1663 and name HG2%) 5.200 3.300 0.800 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.23906E-03 ppm1 8.256 ppm2 1.264 CV 1 ASSI { 1354} (( segid " " and resid 1663 and name H )) ( segid " " and resid 1665 and name HD1%) 5.400 3.700 0.600 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.14343E-03 ppm1 8.548 ppm2 0.457 CV 1 ASSI { 1355} (( segid " " and resid 1661 and name H )) (( segid " " and resid 1663 and name H )) 4.600 2.700 1.400 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.23074E-03 ppm1 8.184 ppm2 8.564 CV 1 ASSI { 1357} (( segid " " and resid 1660 and name H )) (( segid " " and resid 1657 and name HA2 )) 3.900 1.900 1.900 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.33052E-03 ppm1 9.628 ppm2 3.661 CV 1 ASSI { 1358} (( segid " " and resid 1660 and name H )) ( segid " " and resid 1663 and name HG2%) 5.100 3.200 0.900 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.15175E-03 ppm1 9.628 ppm2 1.256 CV 1 ASSI { 1359} (( segid " " and resid 1660 and name H )) ( segid " " and resid 1731 and name HG2%) 5.100 3.300 0.900 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.19748E-03 ppm1 9.631 ppm2 1.095 CV 1 ASSI { 1360} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1660 and name H )) 4.400 2.400 1.600 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.34715E-03 ppm1 7.781 ppm2 9.637 CV 1 ASSI { 1361} (( segid " " and resid 1659 and name H )) (( segid " " and resid 1661 and name H )) 4.400 2.400 1.600 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.24530E-03 ppm1 8.622 ppm2 8.191 CV 1 ASSI { 1362} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1658 and name HE21)) 4.300 2.300 1.700 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.24737E-03 ppm1 7.784 ppm2 7.985 CV 1 ASSI { 1363} (( segid " " and resid 1658 and name H )) ( segid " " and resid 1727 and name HD2%) 5.100 3.300 0.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.24737E-03 ppm1 7.779 ppm2 0.774 CV 1 ASSI { 1364} (( segid " " and resid 1657 and name H )) (( segid " " and resid 1660 and name H )) 4.900 3.100 1.100 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.17254E-03 ppm1 8.748 ppm2 9.642 CV 1 ASSI { 1365} (( segid " " and resid 1657 and name H )) (( segid " " and resid 1658 and name HA )) 5.300 3.500 0.700 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.28895E-03 ppm1 8.744 ppm2 3.910 CV 1 ASSI { 1366} (( segid " " and resid 1657 and name H )) ( segid " " and resid 1655 and name HB% ) 4.600 2.600 1.400 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.17669E-03 ppm1 8.749 ppm2 1.458 CV 1 ASSI { 1367} (( segid " " and resid 1657 and name H )) (( segid " " and resid 1659 and name HB3 )) 5.000 3.100 1.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.18709E-03 ppm1 8.745 ppm2 1.592 CV 1 ASSI { 1368} (( segid " " and resid 1657 and name H )) ( segid " " and resid 1727 and name HD2%) 5.300 3.500 0.700 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.25984E-03 ppm1 8.743 ppm2 0.769 CV 1 ASSI { 1369} (( segid " " and resid 1653 and name H )) ( segid " " and resid 1653 and name HD% ) 4.800 2.900 1.200 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.12473E-03 ppm1 8.211 ppm2 7.329 CV 1 ASSI { 1370} (( segid " " and resid 1654 and name H )) (( segid " " and resid 1653 and name HB3 )) 4.200 2.200 1.800 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.55087E-03 ppm1 7.802 ppm2 3.135 CV 1 ASSI { 1371} (( segid " " and resid 1654 and name H )) ( segid " " and resid 1655 and name HB% ) 4.600 2.700 1.400 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.23282E-03 ppm1 7.804 ppm2 1.452 CV 1 ASSI { 1372} (( segid " " and resid 1653 and name H )) ( segid " " and resid 1654 and name HG2%) 4.500 2.500 1.500 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.37626E-03 ppm1 8.214 ppm2 1.221 CV 1 ASSI { 1373} (( segid " " and resid 1675 and name H )) (( segid " " and resid 1677 and name H )) 4.300 2.300 1.700 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.35339E-03 ppm1 8.549 ppm2 8.252 CV 1 ASSI { 1374} (( segid " " and resid 1676 and name H )) (( segid " " and resid 1678 and name H )) 4.300 2.300 1.700 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.35339E-03 ppm1 8.722 ppm2 8.109 CV 1 ASSI { 1378} (( segid " " and resid 1675 and name H )) (( segid " " and resid 1673 and name HA )) 5.000 3.200 1.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.11849E-03 ppm1 8.548 ppm2 4.219 CV 1 ASSI { 1380} (( segid " " and resid 1806 and name H )) (( segid " " and resid 1804 and name HA )) 4.700 2.700 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.21619E-03 ppm1 7.955 ppm2 3.800 CV 1 ASSI { 1381} (( segid " " and resid 1806 and name H )) (( segid " " and resid 1809 and name HB2 )) 4.900 3.000 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.24321E-03 ppm1 7.953 ppm2 2.730 CV 1 ASSI { 1382} (( segid " " and resid 1676 and name H )) (( segid " " and resid 1677 and name HG3 )) 5.700 4.100 0.300 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.16422E-03 ppm1 8.727 ppm2 2.501 CV 1 ASSI { 1383} (( segid " " and resid 1806 and name H )) (( segid " " and resid 1805 and name HG2 )) 3.400 1.500 1.500 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.41159E-03 ppm1 7.951 ppm2 2.527 CV 1 ASSI { 1384} (( segid " " and resid 1676 and name H )) ( segid " " and resid 1678 and name HB% ) 4.000 2.000 2.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.58413E-03 ppm1 8.722 ppm2 1.606 CV 1 ASSI { 1386} (( segid " " and resid 1679 and name H )) (( segid " " and resid 1682 and name H )) 4.400 2.500 1.600 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.27647E-03 ppm1 8.477 ppm2 8.745 CV 1 ASSI { 1389} (( segid " " and resid 1679 and name H )) (( segid " " and resid 1762 and name HB2 )) 6.000 4.600 0.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.15799E-03 ppm1 8.473 ppm2 2.030 CV 1 ASSI { 1390} (( segid " " and resid 1678 and name H )) ( segid " " and resid 1681 and name HB% ) 4.100 2.100 1.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.66313E-03 ppm1 8.102 ppm2 1.399 CV 1 ASSI { 1391} (( segid " " and resid 1782 and name H )) ( segid " " and resid 1779 and name HB% ) 4.300 2.300 1.700 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.44278E-03 ppm1 8.067 ppm2 1.357 CV 1 ASSI { 1392} (( segid " " and resid 1667 and name H )) (( segid " " and resid 1669 and name H )) 5.100 3.300 0.900 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.14967E-03 ppm1 7.982 ppm2 8.656 CV 1 ASSI { 1393} (( segid " " and resid 1679 and name H )) (( segid " " and resid 1677 and name H )) 4.500 2.500 1.500 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.35963E-03 ppm1 8.480 ppm2 8.255 CV 1 ASSI { 1394} (( segid " " and resid 1679 and name H )) ( segid " " and resid 1683 and name HG1%) 5.500 3.800 0.500 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.13512E-03 ppm1 8.467 ppm2 1.226 CV 1 ASSI { 1395} (( segid " " and resid 1684 and name H )) (( segid " " and resid 1682 and name H )) 4.900 3.000 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.18293E-03 ppm1 7.417 ppm2 8.755 CV 1 ASSI { 1399} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1683 and name HB )) 5.100 3.300 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.29310E-03 ppm1 8.749 ppm2 2.312 CV 1 ASSI { 1400} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1680 and name HB3 )) 4.000 2.000 2.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.15383E-03 ppm1 8.752 ppm2 1.804 CV 1 ASSI { 1401} (( segid " " and resid 1684 and name H )) ( segid " " and resid 1681 and name HB% ) 4.800 2.900 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.24945E-03 ppm1 7.420 ppm2 1.402 CV 1 ASSI { 1402} (( segid " " and resid 1682 and name H )) ( segid " " and resid 1683 and name HG1%) 4.400 2.400 1.600 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.54672E-03 ppm1 8.750 ppm2 1.235 CV 1 ASSI { 1404} (( segid " " and resid 1686 and name H )) (( segid " " and resid 1687 and name HB2 )) 4.800 2.800 1.200 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.42406E-03 ppm1 8.483 ppm2 1.917 CV 1 ASSI { 1405} (( segid " " and resid 1685 and name H )) (( segid " " and resid 1686 and name HB2 )) 4.700 2.800 1.300 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.18917E-03 ppm1 7.997 ppm2 1.704 CV 1 ASSI { 1406} (( segid " " and resid 1685 and name H )) ( segid " " and resid 1681 and name HB% ) 5.300 3.500 0.700 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.15175E-03 ppm1 7.996 ppm2 1.394 CV 1 ASSI { 1409} (( segid " " and resid 1687 and name H )) (( segid " " and resid 1682 and name H )) 5.400 3.600 0.600 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.99781E-04 ppm1 7.977 ppm2 8.756 CV 1 ASSI { 1410} (( segid " " and resid 1688 and name H )) (( segid " " and resid 1689 and name HD3 )) 5.200 3.300 0.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.33884E-03 ppm1 8.294 ppm2 3.647 CV 1 ASSI { 1412} (( segid " " and resid 1690 and name H )) (( segid " " and resid 1747 and name HA2 )) 4.400 2.400 1.600 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.29934E-03 ppm1 8.057 ppm2 3.730 CV 1 OR { 1412} (( segid " " and resid 1690 and name H )) (( segid " " and resid 1747 and name HA3 )) ASSI { 1413} (( segid " " and resid 1690 and name H )) (( segid " " and resid 1751 and name HG3 )) 4.500 2.500 1.500 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.23490E-03 ppm1 8.057 ppm2 1.489 CV 1 ASSI { 1414} (( segid " " and resid 1690 and name H )) ( segid " " and resid 1698 and name HD2%) 5.400 3.600 0.600 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.13927E-03 ppm1 8.057 ppm2 0.974 CV 1 ASSI { 1415} (( segid " " and resid 1691 and name H )) ( segid " " and resid 1693 and name HG2%) 4.900 3.000 1.100 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.13512E-03 ppm1 8.510 ppm2 0.792 CV 1 ASSI { 1416} (( segid " " and resid 1693 and name H )) (( segid " " and resid 1694 and name H )) 4.600 2.700 1.400 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.29103E-03 ppm1 7.384 ppm2 8.326 CV 1 ASSI { 1417} (( segid " " and resid 1694 and name H )) (( segid " " and resid 1695 and name H )) 5.100 3.200 0.900 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.13304E-03 ppm1 8.315 ppm2 9.018 CV 1 ASSI { 1419} (( segid " " and resid 1693 and name H )) (( segid " " and resid 1751 and name HE2 )) 5.100 3.200 0.900 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.85226E-04 ppm1 7.384 ppm2 3.048 CV 1 ASSI { 1420} (( segid " " and resid 1695 and name H )) (( segid " " and resid 1751 and name HE2 )) 4.000 2.000 2.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.32845E-03 ppm1 9.015 ppm2 3.043 CV 1 OR { 1420} (( segid " " and resid 1695 and name H )) (( segid " " and resid 1751 and name HE3 )) ASSI { 1421} (( segid " " and resid 1693 and name H )) (( segid " " and resid 1693 and name HG13)) 3.700 1.700 1.700 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.12660E-02 ppm1 7.388 ppm2 1.271 CV 1 ASSI { 1422} (( segid " " and resid 1693 and name H )) ( segid " " and resid 1698 and name HD1%) 5.000 3.100 1.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.21204E-03 ppm1 7.388 ppm2 0.621 CV 1 ASSI { 1423} (( segid " " and resid 1695 and name H )) ( segid " " and resid 1698 and name HD1%) 5.600 3.900 0.400 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.15175E-03 ppm1 9.016 ppm2 0.618 CV 1 ASSI { 1425} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1699 and name H )) 4.700 2.700 1.300 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.28063E-03 ppm1 7.956 ppm2 8.635 CV 1 ASSI { 1426} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1699 and name H )) 5.100 3.300 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.15175E-03 ppm1 8.911 ppm2 8.637 CV 1 ASSI { 1427} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1695 and name H )) 3.800 1.800 1.800 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.42822E-03 ppm1 8.908 ppm2 9.023 CV 1 ASSI { 1428} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1698 and name H )) 4.500 2.500 1.500 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.31389E-03 ppm1 8.912 ppm2 7.856 CV 1 ASSI { 1429} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1698 and name H )) 2.700 0.900 0.900 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.28354E-02 ppm1 7.951 ppm2 7.851 CV 1 ASSI { 1430} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1694 and name H )) 5.600 4.000 0.400 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.97699E-04 ppm1 8.910 ppm2 8.332 CV 1 ASSI { 1433} (( segid " " and resid 1698 and name H )) (( segid " " and resid 1701 and name HB2 )) 4.500 2.600 1.500 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.28063E-03 ppm1 7.845 ppm2 2.338 CV 1 ASSI { 1434} (( segid " " and resid 1698 and name H )) (( segid " " and resid 1698 and name HB2 )) 2.600 0.800 0.800 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.26172E-02 ppm1 7.845 ppm2 1.935 CV 1 ASSI { 1435} (( segid " " and resid 1698 and name H )) (( segid " " and resid 1698 and name HG )) 2.500 0.800 0.800 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.39725E-02 ppm1 7.845 ppm2 1.731 CV 1 ASSI { 1436} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1698 and name HG )) 4.500 2.500 1.500 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.41159E-03 ppm1 7.949 ppm2 1.732 CV 1 ASSI { 1437} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1698 and name HG )) 5.300 3.500 0.700 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.14136E-03 ppm1 8.912 ppm2 1.730 CV 1 ASSI { 1438} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1698 and name HB3 )) 6.000 5.600 0.000 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.12473E-03 ppm1 7.948 ppm2 1.411 CV 1 ASSI { 1439} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1693 and name HG13)) 5.400 3.700 0.600 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.16214E-03 ppm1 7.950 ppm2 1.264 CV 1 ASSI { 1441} (( segid " " and resid 1701 and name H )) (( segid " " and resid 1699 and name H )) 4.800 2.900 1.200 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.19125E-03 ppm1 8.309 ppm2 8.636 CV 1 ASSI { 1444} (( segid " " and resid 1700 and name H )) (( segid " " and resid 1701 and name HB2 )) 4.600 2.600 1.400 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.60700E-03 ppm1 8.328 ppm2 2.338 CV 1 ASSI { 1445} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1695 and name HG3 )) 3.600 1.600 1.600 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.30973E-03 ppm1 8.626 ppm2 2.115 CV 1 ASSI { 1446} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1698 and name HB2 )) 2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.18335E-02 ppm1 8.626 ppm2 1.938 CV 1 ASSI { 1447} (( segid " " and resid 1700 and name H )) (( segid " " and resid 1696 and name HB3 )) 3.600 3.600 2.400 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.33468E-03 ppm1 8.326 ppm2 2.003 CV 1 ASSI { 1448} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1698 and name HG )) 4.400 2.500 1.600 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.60284E-03 ppm1 8.628 ppm2 1.733 CV 1 ASSI { 1449} (( segid " " and resid 1700 and name H )) ( segid " " and resid 1697 and name HB% ) 4.500 2.500 1.500 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.41783E-03 ppm1 8.326 ppm2 1.514 CV 1 ASSI { 1450} (( segid " " and resid 1700 and name H )) (( segid " " and resid 1698 and name HB3 )) 5.100 3.300 0.900 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.23074E-03 ppm1 8.325 ppm2 1.427 CV 1 ASSI { 1452} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1698 and name HB3 )) 3.500 1.600 1.600 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.16963E-02 ppm1 8.626 ppm2 1.425 CV 1 ASSI { 1453} (( segid " " and resid 1699 and name H )) ( segid " " and resid 1700 and name HG2%) 5.500 3.800 0.500 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.23490E-03 ppm1 8.624 ppm2 1.287 CV 1 ASSI { 1454} (( segid " " and resid 1699 and name H )) ( segid " " and resid 1698 and name HD2%) 4.900 3.000 1.100 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.47604E-03 ppm1 8.626 ppm2 0.991 CV 1 ASSI { 1455} (( segid " " and resid 1699 and name H )) ( segid " " and resid 1814 and name HD2%) 4.200 2.200 1.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.43446E-03 ppm1 8.625 ppm2 0.823 CV 1 ASSI { 1456} (( segid " " and resid 1699 and name H )) ( segid " " and resid 1698 and name HD1%) 3.200 1.300 1.300 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.66520E-03 ppm1 8.627 ppm2 0.624 CV 1 ASSI { 1457} (( segid " " and resid 1703 and name H )) (( segid " " and resid 1702 and name H )) 2.700 0.900 0.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.29019E-02 ppm1 8.431 ppm2 8.302 CV 1 ASSI { 1460} (( segid " " and resid 1702 and name H )) (( segid " " and resid 1700 and name HA )) 4.200 2.200 1.800 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.35339E-03 ppm1 8.293 ppm2 3.978 CV 1 ASSI { 1463} (( segid " " and resid 1702 and name H )) (( segid " " and resid 1702 and name HG2 )) 2.700 0.900 0.900 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.27232E-02 ppm1 8.293 ppm2 2.885 CV 1 ASSI { 1464} (( segid " " and resid 1702 and name H )) (( segid " " and resid 1701 and name HG2 )) 4.800 2.900 1.200 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.24114E-03 ppm1 8.295 ppm2 2.615 CV 1 ASSI { 1465} (( segid " " and resid 1703 and name H )) (( segid " " and resid 1702 and name HB2 )) 2.400 0.700 0.700 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.28999E-02 ppm1 8.432 ppm2 2.316 CV 1 ASSI { 1466} (( segid " " and resid 1702 and name H )) (( segid " " and resid 1702 and name HG3 )) 2.400 0.700 0.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.62384E-02 ppm1 8.293 ppm2 2.324 CV 1 ASSI { 1467} (( segid " " and resid 1702 and name H )) (( segid " " and resid 1702 and name HB3 )) 3.400 1.400 1.400 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.21598E-02 ppm1 8.293 ppm2 1.963 CV 1 ASSI { 1469} (( segid " " and resid 1702 and name H )) (( segid " " and resid 1703 and name HB3 )) 5.200 3.300 0.800 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.17877E-03 ppm1 8.298 ppm2 1.778 CV 1 ASSI { 1470} (( segid " " and resid 1702 and name H )) ( segid " " and resid 1744 and name HB% ) 3.300 1.300 1.300 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.24446E-02 ppm1 8.294 ppm2 1.566 CV 1 ASSI { 1471} (( segid " " and resid 1702 and name H )) ( segid " " and resid 1700 and name HG2%) 4.900 3.000 1.100 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.23282E-03 ppm1 8.292 ppm2 1.286 CV 1 ASSI { 1472} (( segid " " and resid 1703 and name H )) ( segid " " and resid 1700 and name HG2%) 4.100 2.100 1.900 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.60700E-03 ppm1 8.432 ppm2 1.285 CV 1 ASSI { 1473} (( segid " " and resid 1702 and name H )) ( segid " " and resid 1741 and name HD2%) 4.200 2.200 1.800 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.78578E-03 ppm1 8.294 ppm2 0.988 CV 1 ASSI { 1475} (( segid " " and resid 1702 and name H )) ( segid " " and resid 1814 and name HD1%) 5.100 3.300 0.900 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.37210E-03 ppm1 8.293 ppm2 0.741 CV 1 ASSI { 1476} (( segid " " and resid 1703 and name H )) ( segid " " and resid 1706 and name HG2%) 3.900 1.900 1.900 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.65897E-03 ppm1 8.434 ppm2 0.982 CV 1 ASSI { 1477} (( segid " " and resid 1703 and name H )) ( segid " " and resid 1703 and name HD2%) 3.600 1.600 1.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.22658E-02 ppm1 8.432 ppm2 0.889 CV 1 ASSI { 1478} (( segid " " and resid 1703 and name H )) ( segid " " and resid 1814 and name HD1%) 3.200 1.300 1.300 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.13740E-02 ppm1 8.432 ppm2 0.744 CV 1 ASSI { 1479} (( segid " " and resid 1704 and name H )) ( segid " " and resid 1814 and name HD1%) 4.900 3.100 1.100 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.24114E-03 ppm1 8.389 ppm2 0.737 CV 1 ASSI { 1480} (( segid " " and resid 1706 and name H )) (( segid " " and resid 1708 and name H )) 4.700 2.700 1.300 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.19125E-03 ppm1 8.468 ppm2 7.759 CV 1 ASSI { 1482} (( segid " " and resid 1705 and name H )) (( segid " " and resid 1707 and name H )) 4.300 2.300 1.700 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.28895E-03 ppm1 7.452 ppm2 8.243 CV 1 ASSI { 1483} (( segid " " and resid 1705 and name H )) (( segid " " and resid 1702 and name HB2 )) 4.500 2.500 1.500 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.35755E-03 ppm1 7.450 ppm2 2.320 CV 1 ASSI { 1484} (( segid " " and resid 1706 and name H )) (( segid " " and resid 1707 and name HG2 )) 6.000 4.900 0.000 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.12057E-03 ppm1 8.469 ppm2 2.470 CV 1 ASSI { 1485} (( segid " " and resid 1706 and name H )) (( segid " " and resid 1707 and name HB3 )) 5.800 4.100 0.200 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.26193E-03 ppm1 8.464 ppm2 2.243 CV 1 ASSI { 1486} (( segid " " and resid 1706 and name H )) (( segid " " and resid 1709 and name HB )) 4.800 2.900 1.200 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.30350E-03 ppm1 8.465 ppm2 1.796 CV 1 ASSI { 1487} (( segid " " and resid 1705 and name H )) (( segid " " and resid 1703 and name HB3 )) 5.100 3.200 0.900 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.22658E-03 ppm1 7.452 ppm2 1.779 CV 1 ASSI { 1488} (( segid " " and resid 1706 and name H )) ( segid " " and resid 1709 and name HD1%) 4.600 2.700 1.400 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.39289E-03 ppm1 8.467 ppm2 0.246 CV 1 ASSI { 1489} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1713 and name H )) 4.900 3.000 1.100 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.18501E-03 ppm1 8.481 ppm2 7.273 CV 1 ASSI { 1491} (( segid " " and resid 1708 and name H )) (( segid " " and resid 1706 and name HA )) 4.600 2.600 1.400 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.20788E-03 ppm1 7.756 ppm2 3.330 CV 1 ASSI { 1492} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1737 and name HB3 )) 5.500 3.800 0.500 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.14343E-03 ppm1 8.021 ppm2 2.633 CV 1 ASSI { 1493} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1709 and name HG13)) 4.400 2.400 1.600 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.39704E-03 ppm1 8.478 ppm2 1.683 CV 1 ASSI { 1494} (( segid " " and resid 1709 and name H )) ( segid " " and resid 1705 and name HB% ) 5.100 3.200 0.900 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.26400E-03 ppm1 8.026 ppm2 1.571 CV 1 ASSI { 1495} (( segid " " and resid 1708 and name H )) ( segid " " and resid 1705 and name HB% ) 5.000 3.100 1.000 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.23698E-03 ppm1 7.759 ppm2 1.568 CV 1 ASSI { 1496} (( segid " " and resid 1708 and name H )) ( segid " " and resid 1704 and name HG2%) 4.200 2.200 1.800 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.48019E-03 ppm1 7.758 ppm2 1.269 CV 1 ASSI { 1497} (( segid " " and resid 1708 and name H )) (( segid " " and resid 1709 and name HG12)) 5.500 3.700 0.500 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.33468E-03 ppm1 7.754 ppm2 0.822 CV 1 ASSI { 1498} (( segid " " and resid 1708 and name H )) ( segid " " and resid 1709 and name HD1%) 5.600 3.900 0.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.19125E-03 ppm1 7.756 ppm2 0.248 CV 1 ASSI { 1499} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1709 and name H )) 4.600 2.600 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.13096E-03 ppm1 7.630 ppm2 8.030 CV 1 ASSI { 1500} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1707 and name HA )) 3.800 1.800 1.800 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.48019E-03 ppm1 7.627 ppm2 3.783 CV 1 ASSI { 1503} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1715 and name HD2 )) 5.100 3.200 0.900 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.13304E-03 ppm1 7.716 ppm2 3.604 CV 1 ASSI { 1504} (( segid " " and resid 1713 and name H )) (( segid " " and resid 1712 and name HG )) 4.300 2.300 1.700 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.22867E-03 ppm1 7.262 ppm2 1.798 CV 1 ASSI { 1506} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1712 and name HB3 )) 5.000 3.200 1.000 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.24945E-03 ppm1 7.625 ppm2 1.668 CV 1 ASSI { 1507} (( segid " " and resid 1711 and name H )) ( segid " " and resid 1807 and name HG1%) 5.100 3.300 0.900 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.44901E-03 ppm1 7.627 ppm2 0.909 CV 1 ASSI { 1508} (( segid " " and resid 1711 and name H )) ( segid " " and resid 1709 and name HG2%) 4.800 2.800 1.200 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.28895E-03 ppm1 7.624 ppm2 0.804 CV 1 ASSI { 1509} (( segid " " and resid 1714 and name H )) (( segid " " and resid 1716 and name H )) 4.900 3.000 1.100 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.19332E-03 ppm1 8.885 ppm2 8.071 CV 1 ASSI { 1511} (( segid " " and resid 1714 and name H )) ( segid " " and resid 1717 and name HB% ) 5.300 3.500 0.700 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.13927E-03 ppm1 8.887 ppm2 1.462 CV 1 ASSI { 1512} (( segid " " and resid 1714 and name H )) ( segid " " and resid 1800 and name HG2%) 4.500 2.500 1.500 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.37418E-03 ppm1 8.887 ppm2 0.891 CV 1 ASSI { 1517} (( segid " " and resid 1718 and name H )) (( segid " " and resid 1716 and name HB3 )) 4.800 2.800 1.200 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.30766E-03 ppm1 8.887 ppm2 2.006 CV 1 ASSI { 1518} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1715 and name HG2 )) 2.900 1.100 1.100 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.12036E-02 ppm1 8.068 ppm2 2.383 CV 1 OR { 1518} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1715 and name HB2 )) ASSI { 1520} (( segid " " and resid 1717 and name H )) ( segid " " and resid 1800 and name HG2%) 3.100 1.200 1.200 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.18896E-02 ppm1 8.507 ppm2 0.889 CV 1 ASSI { 1522} (( segid " " and resid 1720 and name H )) (( segid " " and resid 1722 and name H )) 4.600 2.600 1.400 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.28063E-03 ppm1 8.339 ppm2 7.365 CV 1 ASSI { 1523} (( segid " " and resid 1722 and name H )) (( segid " " and resid 1723 and name HA )) 5.900 4.400 0.100 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.16214E-03 ppm1 7.351 ppm2 4.827 CV 1 ASSI { 1525} (( segid " " and resid 1723 and name H )) (( segid " " and resid 1718 and name HA )) 4.000 2.000 2.000 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.15383E-03 ppm1 8.931 ppm2 4.134 CV 1 ASSI { 1526} (( segid " " and resid 1723 and name H )) (( segid " " and resid 1724 and name HA )) 4.100 2.200 1.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.36794E-03 ppm1 8.930 ppm2 3.910 CV 1 ASSI { 1528} (( segid " " and resid 1725 and name H )) (( segid " " and resid 1723 and name HG2 )) 3.700 3.700 2.300 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.27024E-03 ppm1 8.707 ppm2 2.260 CV 1 ASSI { 1529} (( segid " " and resid 1724 and name H )) ( segid " " and resid 1722 and name HB% ) 4.900 3.000 1.100 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.29726E-03 ppm1 8.806 ppm2 1.420 CV 1 ASSI { 1530} (( segid " " and resid 1724 and name H )) (( segid " " and resid 1727 and name HB2 )) 5.200 3.400 0.800 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.19541E-03 ppm1 8.802 ppm2 1.222 CV 1 ASSI { 1531} (( segid " " and resid 1726 and name H )) (( segid " " and resid 1728 and name H )) 4.500 2.500 1.500 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.28063E-03 ppm1 7.755 ppm2 8.895 CV 1 ASSI { 1532} (( segid " " and resid 1728 and name H )) (( segid " " and resid 1725 and name HA )) 4.400 2.400 1.600 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.19748E-03 ppm1 8.878 ppm2 4.199 CV 1 ASSI { 1533} (( segid " " and resid 1726 and name H )) (( segid " " and resid 1727 and name HA )) 5.200 3.400 0.800 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.27232E-03 ppm1 7.755 ppm2 3.854 CV 1 ASSI { 1534} (( segid " " and resid 1726 and name H )) (( segid " " and resid 1727 and name HB2 )) 5.700 4.100 0.300 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.26608E-03 ppm1 7.751 ppm2 1.226 CV 1 ASSI { 1535} (( segid " " and resid 1728 and name H )) ( segid " " and resid 1731 and name HG2%) 4.500 2.500 1.500 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.38250E-03 ppm1 8.883 ppm2 1.097 CV 1 ASSI { 1536} (( segid " " and resid 1788 and name H )) (( segid " " and resid 1788 and name HA )) 2.600 0.800 0.800 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.48477E-02 ppm1 7.949 ppm2 4.371 CV 1 ASSI { 1538} (( segid " " and resid 1788 and name H )) (( segid " " and resid 1785 and name HB3 )) 4.700 2.700 1.300 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.27232E-03 ppm1 7.950 ppm2 3.071 CV 1 ASSI { 1539} (( segid " " and resid 1788 and name H )) (( segid " " and resid 1788 and name HB3 )) 3.300 1.300 1.300 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.23199E-02 ppm1 7.950 ppm2 2.141 CV 1 ASSI { 1540} (( segid " " and resid 1788 and name H )) (( segid " " and resid 1788 and name HB2 )) 2.800 1.000 1.000 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.17358E-02 ppm1 7.949 ppm2 2.300 CV 1 ASSI { 1541} (( segid " " and resid 1788 and name H )) (( segid " " and resid 1787 and name HB2 )) 3.100 1.200 1.200 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.86268E-03 ppm1 7.950 ppm2 1.948 CV 1 ASSI { 1542} (( segid " " and resid 1788 and name H )) (( segid " " and resid 1787 and name HB3 )) 3.800 1.800 1.800 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.88969E-03 ppm1 7.948 ppm2 1.813 CV 1 ASSI { 1544} (( segid " " and resid 1788 and name H )) ( segid " " and resid 1789 and name HB% ) 3.900 1.900 1.900 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.61324E-03 ppm1 7.952 ppm2 1.496 CV 1 ASSI { 1545} (( segid " " and resid 1734 and name H )) (( segid " " and resid 1736 and name H )) 4.100 2.100 1.900 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.29310E-03 ppm1 7.943 ppm2 7.364 CV 1 ASSI { 1546} (( segid " " and resid 1732 and name H )) (( segid " " and resid 1728 and name HA2 )) 4.000 2.000 2.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.26400E-03 ppm1 7.978 ppm2 3.577 CV 1 ASSI { 1547} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1811 and name HA )) 5.300 3.500 0.700 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.12057E-03 ppm1 8.007 ppm2 3.632 CV 1 ASSI { 1548} (( segid " " and resid 1732 and name H )) (( segid " " and resid 1660 and name HG2 )) 3.800 1.800 1.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.24114E-03 ppm1 7.979 ppm2 2.511 CV 1 ASSI { 1549} (( segid " " and resid 1732 and name H )) (( segid " " and resid 1660 and name HB3 )) 4.300 2.300 1.700 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.21619E-03 ppm1 7.981 ppm2 1.874 CV 1 ASSI { 1551} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1735 and name H )) 4.600 2.600 1.400 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.19956E-03 ppm1 7.320 ppm2 8.287 CV 1 ASSI { 1552} (( segid " " and resid 1736 and name H )) (( segid " " and resid 1738 and name H )) 4.800 2.900 1.200 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.17669E-03 ppm1 7.367 ppm2 7.637 CV 1 ASSI { 1553} (( segid " " and resid 1736 and name H )) (( segid " " and resid 1732 and name HA )) 4.700 2.800 1.300 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.12680E-03 ppm1 7.368 ppm2 4.177 CV 1 ASSI { 1554} (( segid " " and resid 1735 and name H )) (( segid " " and resid 1733 and name HA )) 4.200 2.200 1.800 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.33260E-03 ppm1 8.283 ppm2 3.931 CV 1 ASSI { 1555} (( segid " " and resid 1735 and name H )) (( segid " " and resid 1736 and name HB2 )) 6.000 4.600 0.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.18917E-03 ppm1 8.284 ppm2 1.914 CV 1 ASSI { 1556} (( segid " " and resid 1735 and name H )) (( segid " " and resid 1736 and name HG2 )) 4.700 2.800 1.300 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.34715E-03 ppm1 8.283 ppm2 1.802 CV 1 ASSI { 1557} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1709 and name HG13)) 5.800 4.100 0.200 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.26400E-03 ppm1 7.322 ppm2 1.690 CV 1 ASSI { 1558} (( segid " " and resid 1737 and name H )) ( segid " " and resid 1705 and name HB% ) 5.300 3.600 0.700 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.30558E-03 ppm1 7.324 ppm2 1.560 CV 1 ASSI { 1559} (( segid " " and resid 1735 and name H )) ( segid " " and resid 1731 and name HG2%) 5.300 3.500 0.700 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.16838E-03 ppm1 8.283 ppm2 1.089 CV 1 ASSI { 1560} (( segid " " and resid 1736 and name H )) ( segid " " and resid 1712 and name HD2%) 5.300 3.500 0.700 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.15590E-03 ppm1 7.367 ppm2 0.990 CV 1 ASSI { 1561} (( segid " " and resid 1737 and name H )) ( segid " " and resid 1712 and name HD2%) 4.800 2.800 1.200 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.30558E-03 ppm1 7.321 ppm2 0.994 CV 1 ASSI { 1562} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1709 and name HG12)) 4.800 2.900 1.200 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.38250E-03 ppm1 7.327 ppm2 0.823 CV 1 ASSI { 1563} (( segid " " and resid 1735 and name H )) ( segid " " and resid 1776 and name HD1%) 4.400 2.400 1.600 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.28271E-03 ppm1 8.282 ppm2 0.800 CV 1 ASSI { 1564} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1739 and name H )) 5.200 3.400 0.800 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.13720E-03 ppm1 7.315 ppm2 8.882 CV 1 ASSI { 1566} (( segid " " and resid 1739 and name H )) ( segid " " and resid 1738 and name HD% ) 4.900 3.000 1.100 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.36171E-03 ppm1 8.877 ppm2 7.293 CV 1 ASSI { 1567} (( segid " " and resid 1738 and name H )) ( segid " " and resid 1738 and name HE% ) 5.800 4.300 0.200 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.10394E-03 ppm1 7.627 ppm2 7.059 CV 1 ASSI { 1569} (( segid " " and resid 1739 and name H )) (( segid " " and resid 1736 and name HA )) 4.300 2.300 1.700 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.21204E-03 ppm1 8.875 ppm2 4.075 CV 1 ASSI { 1571} (( segid " " and resid 1738 and name H )) (( segid " " and resid 1741 and name HB2 )) 5.300 3.500 0.700 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.18501E-03 ppm1 7.628 ppm2 2.039 CV 1 ASSI { 1572} (( segid " " and resid 1738 and name H )) ( segid " " and resid 1735 and name HB% ) 4.300 2.300 1.700 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.49682E-03 ppm1 7.626 ppm2 1.440 CV 1 ASSI { 1573} (( segid " " and resid 1739 and name H )) ( segid " " and resid 1668 and name HD1%) 5.200 3.300 0.800 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.16838E-03 ppm1 8.873 ppm2 0.233 CV 1 ASSI { 1574} (( segid " " and resid 1743 and name H )) (( segid " " and resid 1745 and name H )) 4.300 2.300 1.700 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.31805E-03 ppm1 8.190 ppm2 8.799 CV 1 ASSI { 1575} (( segid " " and resid 1741 and name H )) (( segid " " and resid 1739 and name H )) 4.600 2.700 1.400 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.28895E-03 ppm1 7.406 ppm2 8.890 CV 1 ASSI { 1576} (( segid " " and resid 1741 and name H )) (( segid " " and resid 1741 and name HA )) 2.700 0.900 0.900 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.30516E-02 ppm1 7.405 ppm2 3.961 CV 1 ASSI { 1577} (( segid " " and resid 1741 and name H )) (( segid " " and resid 1741 and name HB2 )) 2.400 0.700 0.700 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.26276E-02 ppm1 7.404 ppm2 2.045 CV 1 ASSI { 1578} (( segid " " and resid 1742 and name H )) (( segid " " and resid 1743 and name HB2 )) 5.000 3.100 1.000 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.20372E-03 ppm1 8.163 ppm2 1.745 CV 1 ASSI { 1579} (( segid " " and resid 1741 and name H )) ( segid " " and resid 1709 and name HD1%) 5.200 3.400 0.800 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.19748E-03 ppm1 7.409 ppm2 0.248 CV 1 ASSI { 1580} (( segid " " and resid 1745 and name H )) (( segid " " and resid 1743 and name HA )) 4.300 2.300 1.700 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.29726E-03 ppm1 8.790 ppm2 4.076 CV 1 ASSI { 1581} (( segid " " and resid 1744 and name H )) (( segid " " and resid 1742 and name HA )) 4.800 2.900 1.200 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.14551E-03 ppm1 8.088 ppm2 3.700 CV 1 ASSI { 1582} (( segid " " and resid 1745 and name H )) (( segid " " and resid 1702 and name HG2 )) 4.500 2.500 1.500 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.26193E-03 ppm1 8.789 ppm2 2.887 CV 1 ASSI { 1583} (( segid " " and resid 1745 and name H )) ( segid " " and resid 1748 and name HB% ) 4.200 2.200 1.800 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.63818E-03 ppm1 8.793 ppm2 1.444 CV 1 ASSI { 1584} (( segid " " and resid 1745 and name H )) ( segid " " and resid 1742 and name HG2%) 4.600 2.700 1.400 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.29934E-03 ppm1 8.793 ppm2 1.315 CV 1 ASSI { 1585} (( segid " " and resid 1746 and name H )) ( segid " " and resid 1742 and name HG2%) 4.400 2.400 1.600 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.43030E-03 ppm1 8.208 ppm2 1.316 CV 1 ASSI { 1586} (( segid " " and resid 1748 and name H )) (( segid " " and resid 1745 and name H )) 5.000 3.100 1.000 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.13512E-03 ppm1 9.764 ppm2 8.797 CV 1 ASSI { 1587} (( segid " " and resid 1747 and name H )) (( segid " " and resid 1745 and name H )) 4.400 2.400 1.600 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.23698E-03 ppm1 8.039 ppm2 8.797 CV 1 ASSI { 1588} (( segid " " and resid 1747 and name H )) (( segid " " and resid 1749 and name H )) 4.700 2.800 1.300 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.17877E-03 ppm1 8.039 ppm2 9.080 CV 1 ASSI { 1591} (( segid " " and resid 1749 and name H )) (( segid " " and resid 1745 and name HA )) 4.300 2.300 1.700 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.30558E-03 ppm1 9.080 ppm2 4.636 CV 1 ASSI { 1592} (( segid " " and resid 1748 and name H )) (( segid " " and resid 1746 and name HB )) 4.900 3.000 1.100 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.29103E-03 ppm1 9.767 ppm2 2.095 CV 1 ASSI { 1593} (( segid " " and resid 1748 and name H )) ( segid " " and resid 1702 and name HE% ) 5.000 3.100 1.000 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.22035E-03 ppm1 9.770 ppm2 1.990 CV 1 ASSI { 1594} (( segid " " and resid 1748 and name H )) (( segid " " and resid 1690 and name HG3 )) 4.700 2.700 1.300 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.25777E-03 ppm1 9.763 ppm2 1.713 CV 1 OR { 1594} (( segid " " and resid 1748 and name H )) (( segid " " and resid 1690 and name HG2 )) ASSI { 1595} (( segid " " and resid 1749 and name H )) ( segid " " and resid 1746 and name HG2%) 4.800 2.900 1.200 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.35547E-03 ppm1 9.072 ppm2 0.981 CV 1 ASSI { 1596} (( segid " " and resid 1749 and name H )) ( segid " " and resid 1698 and name HD1%) 5.400 3.700 0.600 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.15175E-03 ppm1 9.083 ppm2 0.627 CV 1 ASSI { 1597} (( segid " " and resid 1750 and name H )) (( segid " " and resid 1748 and name H )) 4.900 3.000 1.100 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.16630E-03 ppm1 8.428 ppm2 9.786 CV 1 ASSI { 1598} (( segid " " and resid 1751 and name H )) (( segid " " and resid 1752 and name HB )) 5.000 3.100 1.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.28063E-03 ppm1 7.069 ppm2 4.315 CV 1 OR { 1598} (( segid " " and resid 1751 and name H )) (( segid " " and resid 1752 and name HA )) ASSI { 1600} (( segid " " and resid 1750 and name H )) (( segid " " and resid 1746 and name HA )) 4.300 2.300 1.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.33468E-03 ppm1 8.431 ppm2 3.491 CV 1 ASSI { 1601} (( segid " " and resid 1752 and name H )) (( segid " " and resid 1758 and name HA )) 5.800 4.200 0.200 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.14759E-03 ppm1 7.435 ppm2 3.805 CV 1 ASSI { 1602} (( segid " " and resid 1750 and name H )) (( segid " " and resid 1751 and name HB2 )) 5.600 3.900 0.400 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.13304E-03 ppm1 8.429 ppm2 2.134 CV 1 ASSI { 1603} (( segid " " and resid 1750 and name H )) (( segid " " and resid 1687 and name HG )) 4.000 2.000 2.000 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.41367E-03 ppm1 8.430 ppm2 1.262 CV 1 ASSI { 1604} (( segid " " and resid 1752 and name H )) (( segid " " and resid 1751 and name HG3 )) 4.500 2.600 1.500 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.21619E-03 ppm1 7.448 ppm2 1.482 CV 1 ASSI { 1606} (( segid " " and resid 1752 and name H )) ( segid " " and resid 1761 and name HD2%) 4.700 2.800 1.300 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.38665E-03 ppm1 7.434 ppm2 0.854 CV 1 ASSI { 1607} (( segid " " and resid 1750 and name H )) ( segid " " and resid 1698 and name HD1%) 5.100 3.300 0.900 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.14759E-03 ppm1 8.437 ppm2 0.621 CV 1 ASSI { 1608} (( segid " " and resid 1751 and name H )) ( segid " " and resid 1698 and name HD1%) 5.000 3.100 1.000 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.15799E-03 ppm1 7.062 ppm2 0.617 CV 1 ASSI { 1609} (( segid " " and resid 1754 and name H )) (( segid " " and resid 1758 and name H )) 5.200 3.400 0.800 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.12264E-03 ppm1 7.695 ppm2 8.331 CV 1 ASSI { 1610} (( segid " " and resid 1754 and name H )) (( segid " " and resid 1758 and name HB2 )) 5.800 4.300 0.200 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.14967E-03 ppm1 7.695 ppm2 2.408 CV 1 ASSI { 1611} (( segid " " and resid 1759 and name H )) (( segid " " and resid 1760 and name H )) 2.600 0.800 0.800 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.26317E-02 ppm1 7.840 ppm2 7.989 CV 1 ASSI { 1614} (( segid " " and resid 1759 and name H )) (( segid " " and resid 1757 and name H )) 4.300 2.300 1.700 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.27024E-03 ppm1 7.836 ppm2 7.285 CV 1 ASSI { 1617} (( segid " " and resid 1759 and name H )) (( segid " " and resid 1759 and name HG3 )) 2.500 0.800 0.800 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.34383E-02 ppm1 7.840 ppm2 2.129 CV 1 ASSI { 1618} (( segid " " and resid 1759 and name H )) (( segid " " and resid 1759 and name HB3 )) 3.400 1.400 1.400 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.25839E-02 ppm1 7.840 ppm2 1.906 CV 1 ASSI { 1619} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1756 and name HB3 )) 5.200 3.400 0.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.18709E-03 ppm1 8.319 ppm2 1.802 CV 1 ASSI { 1620} (( segid " " and resid 1758 and name H )) ( segid " " and resid 1760 and name HB% ) 4.700 2.700 1.300 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.30558E-03 ppm1 8.323 ppm2 1.460 CV 1 ASSI { 1621} (( segid " " and resid 1759 and name H )) ( segid " " and resid 1752 and name HG2%) 3.800 1.800 1.800 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.23906E-03 ppm1 7.839 ppm2 1.335 CV 1 ASSI { 1622} (( segid " " and resid 1758 and name H )) ( segid " " and resid 1761 and name HD2%) 5.000 3.100 1.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.19332E-03 ppm1 8.321 ppm2 0.840 CV 1 ASSI { 1623} (( segid " " and resid 1759 and name H )) ( segid " " and resid 1762 and name HD2%) 5.400 3.600 0.600 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.20580E-03 ppm1 7.842 ppm2 0.769 CV 1 ASSI { 1625} (( segid " " and resid 1763 and name H )) (( segid " " and resid 1764 and name HG3 )) 5.400 3.600 0.600 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.15175E-03 ppm1 9.180 ppm2 2.472 CV 1 ASSI { 1626} (( segid " " and resid 1761 and name H )) ( segid " " and resid 1752 and name HG2%) 4.400 2.400 1.600 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.31389E-03 ppm1 7.773 ppm2 1.350 CV 1 ASSI { 1627} (( segid " " and resid 1763 and name H )) (( segid " " and resid 1762 and name HG )) 3.700 1.700 1.700 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.51553E-03 ppm1 9.178 ppm2 1.816 CV 1 ASSI { 1628} (( segid " " and resid 1763 and name H )) ( segid " " and resid 1749 and name HB% ) 3.900 1.900 1.900 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.18501E-03 ppm1 9.182 ppm2 1.579 CV 1 ASSI { 1629} (( segid " " and resid 1762 and name H )) ( segid " " and resid 1675 and name HD2%) 5.000 3.100 1.000 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.24321E-03 ppm1 7.396 ppm2 0.955 CV 1 ASSI { 1632} (( segid " " and resid 1765 and name H )) (( segid " " and resid 1763 and name H )) 4.500 2.500 1.500 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.21827E-03 ppm1 7.884 ppm2 9.188 CV 1 ASSI { 1634} (( segid " " and resid 1764 and name H )) (( segid " " and resid 1761 and name H )) 5.100 3.200 0.900 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.11225E-03 ppm1 8.853 ppm2 7.778 CV 1 ASSI { 1636} (( segid " " and resid 1765 and name H )) (( segid " " and resid 1763 and name HA )) 5.200 3.400 0.800 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.87309E-04 ppm1 7.880 ppm2 4.417 CV 1 ASSI { 1638} (( segid " " and resid 1765 and name H )) (( segid " " and resid 1765 and name HB )) 2.500 0.800 0.800 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.35111E-02 ppm1 7.887 ppm2 4.237 CV 1 ASSI { 1639} (( segid " " and resid 1765 and name H )) (( segid " " and resid 1764 and name HB3 )) 3.800 1.800 1.800 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.87513E-03 ppm1 7.885 ppm2 2.244 CV 1 ASSI { 1640} (( segid " " and resid 1765 and name H )) (( segid " " and resid 1764 and name HB2 )) 3.500 1.600 1.600 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.43654E-03 ppm1 7.884 ppm2 2.129 CV 1 ASSI { 1641} (( segid " " and resid 1765 and name H )) ( segid " " and resid 1702 and name HE% ) 4.800 2.800 1.200 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.36378E-03 ppm1 7.884 ppm2 2.003 CV 1 ASSI { 1642} (( segid " " and resid 1765 and name H )) (( segid " " and resid 1766 and name HB2 )) 5.000 3.100 1.000 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.28687E-03 ppm1 7.882 ppm2 1.921 CV 1 ASSI { 1643} (( segid " " and resid 1765 and name H )) ( segid " " and resid 1745 and name HB% ) 4.300 2.400 1.700 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.49267E-03 ppm1 7.886 ppm2 1.548 CV 1 ASSI { 1646} (( segid " " and resid 1765 and name H )) ( segid " " and resid 1810 and name HD2%) 4.100 2.100 1.900 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.67560E-03 ppm1 7.885 ppm2 0.889 CV 1 ASSI { 1648} (( segid " " and resid 1767 and name H )) (( segid " " and resid 1770 and name H )) 4.900 2.900 1.100 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.14551E-03 ppm1 8.713 ppm2 9.229 CV 1 ASSI { 1650} (( segid " " and resid 1771 and name H )) (( segid " " and resid 1774 and name H )) 5.500 3.800 0.500 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.83151E-04 ppm1 8.539 ppm2 7.613 CV 1 ASSI { 1651} (( segid " " and resid 1770 and name H )) (( segid " " and resid 1771 and name HA )) 5.900 4.400 0.100 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.10810E-03 ppm1 9.225 ppm2 4.333 CV 1 ASSI { 1652} (( segid " " and resid 1772 and name H )) (( segid " " and resid 1770 and name HA )) 4.900 3.000 1.100 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.12264E-03 ppm1 8.472 ppm2 3.966 CV 1 ASSI { 1653} (( segid " " and resid 1772 and name H )) (( segid " " and resid 1773 and name HA )) 5.900 4.300 0.100 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.11849E-03 ppm1 8.471 ppm2 3.727 CV 1 ASSI { 1654} (( segid " " and resid 1771 and name H )) ( segid " " and resid 1668 and name HD2%) 5.900 4.300 0.100 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.15590E-03 ppm1 8.540 ppm2 0.375 CV 1 ASSI { 1655} (( segid " " and resid 1773 and name H )) (( segid " " and resid 1770 and name H )) 4.800 2.800 1.200 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.14759E-03 ppm1 8.118 ppm2 9.237 CV 1 ASSI { 1656} (( segid " " and resid 1775 and name H )) (( segid " " and resid 1773 and name HB3 )) 4.900 3.000 1.100 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.18293E-03 ppm1 8.143 ppm2 1.754 CV 1 ASSI { 1658} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1776 and name H )) 5.100 3.200 0.900 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.14343E-03 ppm1 8.100 ppm2 8.688 CV 1 ASSI { 1659} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1779 and name H )) 4.900 3.000 1.100 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.12264E-03 ppm1 8.683 ppm2 9.193 CV 1 ASSI { 1660} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1781 and name HB2 )) 4.800 2.800 1.200 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.22867E-03 ppm1 8.106 ppm2 2.164 CV 1 ASSI { 1661} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1776 and name HB2 )) 5.400 3.600 0.600 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.13512E-03 ppm1 8.102 ppm2 1.966 CV 1 ASSI { 1662} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1773 and name HB3 )) 4.700 2.800 1.300 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.20164E-03 ppm1 8.680 ppm2 1.745 CV 1 ASSI { 1663} (( segid " " and resid 1776 and name H )) ( segid " " and resid 1716 and name HD2%) 6.000 4.500 0.000 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.13304E-03 ppm1 8.678 ppm2 0.690 CV 1 ASSI { 1664} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1665 and name HG13)) 5.800 4.100 0.200 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.16630E-03 ppm1 8.681 ppm2 0.593 CV 1 ASSI { 1665} (( segid " " and resid 1776 and name H )) ( segid " " and resid 1665 and name HD1%) 5.100 3.300 0.900 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.23074E-03 ppm1 8.679 ppm2 0.455 CV 1 ASSI { 1666} (( segid " " and resid 1776 and name H )) ( segid " " and resid 1668 and name HD2%) 4.900 3.000 1.100 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.18709E-03 ppm1 8.677 ppm2 0.369 CV 1 ASSI { 1667} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1777 and name H )) 4.100 2.100 1.900 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.33884E-03 ppm1 9.198 ppm2 8.884 CV 1 ASSI { 1669} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1781 and name H )) 4.800 2.900 1.200 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.23074E-03 ppm1 9.199 ppm2 7.399 CV 1 ASSI { 1671} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1777 and name HB2 )) 4.200 2.200 1.800 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.12888E-03 ppm1 9.197 ppm2 3.075 CV 1 ASSI { 1673} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1781 and name HB2 )) 4.800 2.900 1.200 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.20164E-03 ppm1 9.196 ppm2 2.153 CV 1 ASSI { 1674} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1780 and name HB2 )) 5.100 3.200 0.900 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.25153E-03 ppm1 9.196 ppm2 2.083 CV 1 ASSI { 1675} (( segid " " and resid 1779 and name H )) ( segid " " and resid 1775 and name HD1%) 4.200 2.200 1.800 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.29310E-03 ppm1 9.196 ppm2 1.036 CV 1 ASSI { 1676} (( segid " " and resid 1779 and name H )) ( segid " " and resid 1716 and name HD2%) 4.700 2.700 1.300 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.44901E-03 ppm1 9.197 ppm2 0.704 CV 1 ASSI { 1677} (( segid " " and resid 1780 and name H )) ( segid " " and resid 1665 and name HD1%) 4.700 2.700 1.300 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.36794E-03 ppm1 8.399 ppm2 0.457 CV 1 ASSI { 1678} (( segid " " and resid 1784 and name H )) (( segid " " and resid 1782 and name H )) 5.900 4.400 0.100 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.83151E-04 ppm1 8.435 ppm2 8.076 CV 1 ASSI { 1679} (( segid " " and resid 1784 and name H )) (( segid " " and resid 1785 and name HA )) 6.000 5.000 0.000 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.76911E-04 ppm1 8.436 ppm2 5.018 CV 1 ASSI { 1683} (( segid " " and resid 1784 and name H )) (( segid " " and resid 1782 and name HA )) 4.700 2.800 1.300 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.17046E-03 ppm1 8.441 ppm2 4.039 CV 1 ASSI { 1685} (( segid " " and resid 1784 and name H )) (( segid " " and resid 1785 and name HB3 )) 5.000 3.200 1.000 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.20372E-03 ppm1 8.442 ppm2 3.072 CV 1 ASSI { 1686} (( segid " " and resid 1784 and name H )) (( segid " " and resid 1785 and name HB2 )) 5.200 3.400 0.800 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.18917E-03 ppm1 8.441 ppm2 2.835 CV 1 ASSI { 1690} (( segid " " and resid 1801 and name H )) ( segid " " and resid 1800 and name HG1%) 2.700 0.900 0.900 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.26338E-02 ppm1 8.089 ppm2 0.980 CV 1 ASSI { 1692} (( segid " " and resid 1785 and name H )) (( segid " " and resid 1786 and name HB3 )) 5.100 3.200 0.900 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.13096E-03 ppm1 7.668 ppm2 2.440 CV 1 ASSI { 1693} (( segid " " and resid 1785 and name H )) (( segid " " and resid 1786 and name HG3 )) 4.700 2.800 1.300 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.33052E-03 ppm1 7.660 ppm2 2.140 CV 1 ASSI { 1694} (( segid " " and resid 1785 and name H )) ( segid " " and resid 1727 and name HD2%) 3.600 1.700 1.700 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.29103E-03 ppm1 7.658 ppm2 0.783 CV 1 ASSI { 1695} (( segid " " and resid 1789 and name H )) (( segid " " and resid 1790 and name H )) 5.300 3.500 0.700 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.97699E-04 ppm1 8.478 ppm2 8.386 CV 1 ASSI { 1696} (( segid " " and resid 1729 and name H )) (( segid " " and resid 1727 and name HB2 )) 5.600 3.900 0.400 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.15383E-03 ppm1 7.954 ppm2 1.219 CV 1 ASSI { 1697} (( segid " " and resid 1793 and name H )) (( segid " " and resid 1792 and name H )) 2.700 0.900 0.900 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.26026E-02 ppm1 7.932 ppm2 7.432 CV 1 ASSI { 1698} (( segid " " and resid 1794 and name H )) (( segid " " and resid 1796 and name H )) 4.300 2.300 1.700 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.28063E-03 ppm1 8.439 ppm2 8.187 CV 1 ASSI { 1700} (( segid " " and resid 1792 and name H )) (( segid " " and resid 1794 and name H )) 4.400 2.400 1.600 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.37210E-03 ppm1 7.426 ppm2 8.448 CV 1 ASSI { 1702} (( segid " " and resid 1792 and name H )) (( segid " " and resid 1793 and name HA )) 5.500 3.800 0.500 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.18917E-03 ppm1 7.424 ppm2 4.032 CV 1 ASSI { 1703} (( segid " " and resid 1792 and name H )) (( segid " " and resid 1792 and name HA )) 2.700 0.900 0.900 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.40681E-02 ppm1 7.425 ppm2 4.195 CV 1 ASSI { 1704} (( segid " " and resid 1792 and name H )) (( segid " " and resid 1793 and name HB3 )) 5.600 3.900 0.400 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.32429E-03 ppm1 7.423 ppm2 2.237 CV 1 ASSI { 1705} (( segid " " and resid 1792 and name H )) (( segid " " and resid 1793 and name HB2 )) 4.800 2.900 1.200 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.35131E-03 ppm1 7.428 ppm2 2.154 CV 1 ASSI { 1706} (( segid " " and resid 1792 and name H )) (( segid " " and resid 1794 and name HG2 )) 4.700 2.800 1.300 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.27856E-03 ppm1 7.427 ppm2 2.396 CV 1 ASSI { 1707} (( segid " " and resid 1793 and name H )) (( segid " " and resid 1793 and name HB3 )) 3.200 1.300 1.300 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.34819E-02 ppm1 7.933 ppm2 2.236 CV 1 ASSI { 1708} (( segid " " and resid 1793 and name H )) (( segid " " and resid 1793 and name HB2 )) 2.600 0.800 0.800 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.33177E-02 ppm1 7.932 ppm2 2.157 CV 1 ASSI { 1709} (( segid " " and resid 1792 and name H )) ( segid " " and resid 1789 and name HB% ) 3.300 1.400 1.400 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.19187E-02 ppm1 7.425 ppm2 1.497 CV 1 ASSI { 1710} (( segid " " and resid 1793 and name H )) ( segid " " and resid 1789 and name HB% ) 3.500 1.500 1.500 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.10103E-02 ppm1 7.933 ppm2 1.491 CV 1 ASSI { 1712} (( segid " " and resid 1792 and name H )) ( segid " " and resid 1792 and name HG2%) 3.500 1.500 1.500 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.15570E-02 ppm1 7.425 ppm2 1.223 CV 1 ASSI { 1716} (( segid " " and resid 1795 and name H )) (( segid " " and resid 1796 and name HB3 )) 5.200 3.400 0.800 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.23906E-03 ppm1 8.036 ppm2 1.898 CV 1 ASSI { 1717} (( segid " " and resid 1797 and name H )) ( segid " " and resid 1778 and name HG2%) 4.900 3.000 1.100 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.20788E-03 ppm1 7.943 ppm2 1.264 CV 1 ASSI { 1718} (( segid " " and resid 1797 and name H )) ( segid " " and resid 1800 and name HG1%) 5.400 3.600 0.600 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.19541E-03 ppm1 7.945 ppm2 0.979 CV 1 ASSI { 1719} (( segid " " and resid 1798 and name H )) (( segid " " and resid 1800 and name H )) 4.800 2.900 1.200 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.24945E-03 ppm1 8.203 ppm2 8.559 CV 1 ASSI { 1720} (( segid " " and resid 1799 and name H )) (( segid " " and resid 1800 and name HA )) 6.000 4.500 0.000 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.10810E-03 ppm1 8.174 ppm2 3.406 CV 1 ASSI { 1721} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1801 and name HG3 )) 5.500 3.800 0.500 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.20580E-03 ppm1 8.547 ppm2 2.456 CV 1 OR { 1721} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1801 and name HG2 )) ASSI { 1724} (( segid " " and resid 1798 and name H )) (( segid " " and resid 1796 and name HB3 )) 4.000 2.000 2.000 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.15799E-03 ppm1 8.206 ppm2 1.890 CV 1 ASSI { 1725} (( segid " " and resid 1805 and name H )) (( segid " " and resid 1803 and name H )) 4.400 2.400 1.600 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.20995E-03 ppm1 8.051 ppm2 8.345 CV 1 ASSI { 1726} (( segid " " and resid 1804 and name H )) (( segid " " and resid 1806 and name H )) 4.400 2.400 1.600 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.37002E-03 ppm1 8.530 ppm2 7.960 CV 1 ASSI { 1727} (( segid " " and resid 1804 and name H )) (( segid " " and resid 1802 and name HA )) 4.600 2.700 1.400 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.26400E-03 ppm1 8.530 ppm2 4.267 CV 1 ASSI { 1728} (( segid " " and resid 1804 and name H )) (( segid " " and resid 1803 and name HG3 )) 5.800 4.200 0.200 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.13304E-03 ppm1 8.533 ppm2 2.762 CV 1 ASSI { 1729} (( segid " " and resid 1804 and name H )) (( segid " " and resid 1803 and name HG2 )) 4.600 2.600 1.400 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.38457E-03 ppm1 8.529 ppm2 2.500 CV 1 ASSI { 1730} (( segid " " and resid 1804 and name H )) (( segid " " and resid 1801 and name HB3 )) 4.100 2.100 1.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.42822E-03 ppm1 8.528 ppm2 2.260 CV 1 ASSI { 1731} (( segid " " and resid 1804 and name H )) ( segid " " and resid 1806 and name HB% ) 5.200 3.300 0.800 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.16214E-03 ppm1 8.529 ppm2 1.593 CV 1 ASSI { 1732} (( segid " " and resid 1805 and name H )) ( segid " " and resid 1713 and name HD1%) 4.500 2.600 1.500 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.32845E-03 ppm1 8.052 ppm2 1.006 CV 1 ASSI { 1733} (( segid " " and resid 1805 and name H )) ( segid " " and resid 1807 and name HG1%) 4.900 2.900 1.100 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.30142E-03 ppm1 8.047 ppm2 0.897 CV 1 ASSI { 1734} (( segid " " and resid 1807 and name H )) (( segid " " and resid 1809 and name H )) 4.300 2.300 1.700 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.24321E-03 ppm1 8.596 ppm2 8.425 CV 1 ASSI { 1735} (( segid " " and resid 1808 and name H )) (( segid " " and resid 1806 and name H )) 4.500 2.600 1.500 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.31182E-03 ppm1 8.181 ppm2 7.962 CV 1 ASSI { 1736} (( segid " " and resid 1808 and name H )) (( segid " " and resid 1810 and name H )) 4.900 3.000 1.100 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.20580E-03 ppm1 8.181 ppm2 7.526 CV 1 ASSI { 1737} (( segid " " and resid 1808 and name H )) (( segid " " and resid 1811 and name HB )) 4.900 3.000 1.100 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.19748E-03 ppm1 8.187 ppm2 4.334 CV 1 ASSI { 1738} (( segid " " and resid 1809 and name H )) (( segid " " and resid 1807 and name HA )) 4.800 2.900 1.200 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.12888E-03 ppm1 8.414 ppm2 3.542 CV 1 ASSI { 1740} (( segid " " and resid 1808 and name H )) (( segid " " and resid 1807 and name HB )) 2.400 0.700 0.700 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.48705E-02 ppm1 8.181 ppm2 2.406 CV 1 ASSI { 1741} (( segid " " and resid 1808 and name H )) ( segid " " and resid 1806 and name HB% ) 5.400 3.700 0.600 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.14551E-03 ppm1 8.183 ppm2 1.604 CV 1 ASSI { 1742} (( segid " " and resid 1809 and name H )) ( segid " " and resid 1806 and name HB% ) 4.600 2.700 1.400 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.33884E-03 ppm1 8.415 ppm2 1.595 CV 1 ASSI { 1743} (( segid " " and resid 1809 and name H )) (( segid " " and resid 1810 and name HB2 )) 5.300 3.500 0.700 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.24737E-03 ppm1 8.414 ppm2 1.509 CV 1 ASSI { 1744} (( segid " " and resid 1809 and name H )) ( segid " " and resid 1807 and name HG2%) 3.500 1.600 1.600 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.35547E-03 ppm1 8.419 ppm2 1.065 CV 1 ASSI { 1745} (( segid " " and resid 1812 and name H )) (( segid " " and resid 1810 and name H )) 4.200 2.200 1.800 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.31597E-03 ppm1 8.195 ppm2 7.524 CV 1 ASSI { 1746} (( segid " " and resid 1810 and name H )) (( segid " " and resid 1813 and name H )) 5.000 3.100 1.000 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.14759E-03 ppm1 7.524 ppm2 8.009 CV 1 ASSI { 1747} (( segid " " and resid 1812 and name H )) (( segid " " and resid 1813 and name H )) 2.800 1.000 1.000 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.29165E-02 ppm1 8.195 ppm2 8.007 CV 1 ASSI { 1748} (( segid " " and resid 1810 and name H )) (( segid " " and resid 1806 and name HA )) 4.100 2.100 1.900 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.40952E-03 ppm1 7.520 ppm2 4.279 CV 1 ASSI { 1749} (( segid " " and resid 1810 and name H )) (( segid " " and resid 1808 and name HA )) 4.800 2.900 1.200 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.15590E-03 ppm1 7.524 ppm2 4.024 CV 1 ASSI { 1750} (( segid " " and resid 1812 and name H )) (( segid " " and resid 1812 and name HA )) 2.700 0.900 0.900 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.40453E-02 ppm1 8.195 ppm2 3.964 CV 1 ASSI { 1751} (( segid " " and resid 1810 and name H )) (( segid " " and resid 1764 and name HB2 )) 5.000 3.200 1.000 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.35339E-03 ppm1 7.520 ppm2 2.126 CV 1 ASSI { 1752} (( segid " " and resid 1810 and name H )) ( segid " " and resid 1807 and name HG2%) 3.400 3.400 2.600 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.40743E-03 ppm1 7.521 ppm2 1.067 CV 1 ASSI { 1753} (( segid " " and resid 1812 and name H )) ( segid " " and resid 1810 and name HD1%) 5.000 3.100 1.000 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.25777E-03 ppm1 8.195 ppm2 0.972 CV 1 ASSI { 1754} (( segid " " and resid 1814 and name H )) (( segid " " and resid 1812 and name H )) 4.700 2.700 1.300 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.15799E-03 ppm1 8.466 ppm2 8.203 CV 1 ASSI { 1755} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1816 and name H )) 2.400 0.700 0.700 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.48144E-02 ppm1 8.496 ppm2 8.076 CV 1 ASSI { 1756} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1817 and name H )) 4.300 2.300 1.700 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.41575E-03 ppm1 8.499 ppm2 7.975 CV 1 ASSI { 1758} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1815 and name HD21)) 3.200 1.300 1.300 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.45317E-03 ppm1 8.496 ppm2 7.477 CV 1 ASSI { 1759} (( segid " " and resid 1814 and name H )) (( segid " " and resid 1813 and name HB )) 2.700 0.900 0.900 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.26005E-02 ppm1 8.464 ppm2 4.401 CV 1 ASSI { 1760} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1812 and name HA )) 2.800 1.000 1.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.26442E-02 ppm1 8.496 ppm2 3.960 CV 1 ASSI { 1762} (( segid " " and resid 1814 and name H )) (( segid " " and resid 1811 and name HA )) 3.600 1.600 1.600 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.11308E-02 ppm1 8.464 ppm2 3.633 CV 1 ASSI { 1763} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1811 and name HA )) 3.900 1.900 1.900 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.65273E-03 ppm1 8.496 ppm2 3.632 CV 1 ASSI { 1766} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1814 and name HB3 )) 3.200 1.200 1.200 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.19582E-02 ppm1 8.496 ppm2 1.968 CV 1 ASSI { 1767} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1814 and name HG )) 4.500 2.500 1.500 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.51969E-03 ppm1 8.497 ppm2 1.765 CV 1 ASSI { 1770} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1814 and name HG )) 4.300 2.300 1.700 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.40328E-03 ppm1 8.002 ppm2 1.770 CV 1 ASSI { 1771} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1814 and name HB2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.16193E-02 ppm1 8.496 ppm2 1.321 CV 1 ASSI { 1772} (( segid " " and resid 1815 and name H )) ( segid " " and resid 1811 and name HG2%) 3.800 1.800 1.800 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.65689E-03 ppm1 8.496 ppm2 1.168 CV 1 ASSI { 1773} (( segid " " and resid 1814 and name H )) (( segid " " and resid 1814 and name HB2 )) 2.500 0.800 0.800 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.24093E-02 ppm1 8.465 ppm2 1.320 CV 1 ASSI { 1774} (( segid " " and resid 1814 and name H )) ( segid " " and resid 1811 and name HG2%) 5.000 3.100 1.000 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.23074E-03 ppm1 8.467 ppm2 1.171 CV 1 ASSI { 1776} (( segid " " and resid 1814 and name H )) ( segid " " and resid 1810 and name HD1%) 4.100 2.100 1.900 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.63818E-03 ppm1 8.465 ppm2 0.969 CV 1 ASSI { 1777} (( segid " " and resid 1814 and name H )) ( segid " " and resid 1814 and name HD2%) 3.700 1.800 1.800 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.17794E-02 ppm1 8.465 ppm2 0.827 CV 1 ASSI { 1778} (( segid " " and resid 1814 and name H )) ( segid " " and resid 1814 and name HD1%) 3.800 1.800 1.800 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.15362E-02 ppm1 8.465 ppm2 0.742 CV 1 ASSI { 1779} (( segid " " and resid 1815 and name H )) ( segid " " and resid 1814 and name HD1%) 3.200 1.300 1.300 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.59245E-03 ppm1 8.495 ppm2 0.738 CV 1 ASSI { 1783} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1813 and name HA )) 4.500 2.600 1.500 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.19956E-03 ppm1 7.966 ppm2 3.868 CV 1 ASSI { 1784} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1816 and name HG3 )) 5.500 3.700 0.500 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.19125E-03 ppm1 7.966 ppm2 2.286 CV 1 ASSI { 1785} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1816 and name HB2 )) 2.700 0.900 0.900 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.37604E-02 ppm1 7.964 ppm2 2.115 CV 1 OR { 1785} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1816 and name HB3 )) ASSI { 1787} (( segid " " and resid 1818 and name H )) ( segid " " and resid 1817 and name HB% ) 2.700 0.900 0.900 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.47334E-02 ppm1 7.913 ppm2 1.327 CV 1 ASSI { 1790} (( segid " " and resid 1817 and name H )) ( segid " " and resid 1813 and name HG2%) 4.000 2.000 2.000 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.37210E-03 ppm1 7.960 ppm2 1.076 CV 1 ASSI { 1791} (( segid " " and resid 1819 and name H )) (( segid " " and resid 1819 and name HA )) 2.700 0.900 0.900 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.36607E-02 ppm1 7.887 ppm2 4.422 CV 1 ASSI { 1792} (( segid " " and resid 1819 and name H )) (( segid " " and resid 1818 and name HA )) 3.200 1.300 1.300 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.23428E-02 ppm1 7.887 ppm2 4.269 CV 1 ASSI { 1793} (( segid " " and resid 1819 and name H )) (( segid " " and resid 1816 and name HA )) 3.600 1.700 1.700 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.60284E-03 ppm1 7.888 ppm2 4.155 CV 1 ASSI { 1794} (( segid " " and resid 1820 and name H )) (( segid " " and resid 1820 and name HA )) 2.800 1.000 1.000 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.30454E-02 ppm1 7.960 ppm2 4.381 CV 1 ASSI { 1796} (( segid " " and resid 1820 and name H )) (( segid " " and resid 1819 and name HB3 )) 3.800 1.800 1.800 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.82940E-03 ppm1 7.960 ppm2 3.933 CV 1 OR { 1796} (( segid " " and resid 1820 and name H )) (( segid " " and resid 1819 and name HB2 )) ASSI { 1797} (( segid " " and resid 1819 and name H )) (( segid " " and resid 1819 and name HB3 )) 2.600 0.900 0.900 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.47105E-02 ppm1 7.887 ppm2 3.935 CV 1 OR { 1797} (( segid " " and resid 1819 and name H )) (( segid " " and resid 1819 and name HB2 )) ASSI { 1798} (( segid " " and resid 1820 and name H )) ( segid " " and resid 1820 and name HB% ) 2.500 0.800 0.800 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.56626E-02 ppm1 7.960 ppm2 1.447 CV 1 ASSI { 1799} (( segid " " and resid 1821 and name H )) ( segid " " and resid 1820 and name HB% ) 3.000 1.200 1.200 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.33426E-02 ppm1 8.054 ppm2 1.440 CV 1 ASSI { 1800} (( segid " " and resid 1819 and name H )) ( segid " " and resid 1818 and name HB% ) 2.700 0.900 0.900 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.33198E-02 ppm1 7.887 ppm2 1.423 CV 1 ASSI { 1801} (( segid " " and resid 1819 and name H )) ( segid " " and resid 1817 and name HB% ) 4.700 2.800 1.300 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.40743E-03 ppm1 7.888 ppm2 1.323 CV 1 ASSI { 1803} (( segid " " and resid 1677 and name H )) (( segid " " and resid 1675 and name HB3 )) 5.000 3.100 1.000 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.21619E-03 ppm1 8.247 ppm2 1.389 CV 1 ASSI { 1804} (( segid " " and resid 1677 and name H )) ( segid " " and resid 1762 and name HD1%) 5.800 4.200 0.200 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.14136E-03 ppm1 8.247 ppm2 0.768 CV 1 ASSI { 1805} (( segid " " and resid 1677 and name H )) (( segid " " and resid 1674 and name H )) 4.600 2.700 1.400 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.20788E-03 ppm1 8.247 ppm2 7.891 CV 1 ASSI { 1809} (( segid " " and resid 1775 and name H )) (( segid " " and resid 1777 and name H )) 4.800 2.800 1.200 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.14967E-03 ppm1 8.139 ppm2 8.883 CV 1 ASSI { 1811} (( segid " " and resid 1746 and name H )) (( segid " " and resid 1748 and name H )) 4.300 2.300 1.700 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.34092E-03 ppm1 8.211 ppm2 9.778 CV 1 ASSI { 1812} (( segid " " and resid 1743 and name H )) (( segid " " and resid 1741 and name H )) 4.500 2.500 1.500 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.20995E-03 ppm1 8.191 ppm2 7.411 CV 1 ASSI { 1814} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1714 and name H )) 5.200 3.400 0.800 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.19125E-03 ppm1 7.720 ppm2 8.898 CV 1 ASSI { 1815} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1710 and name H )) 4.500 2.500 1.500 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.26400E-03 ppm1 7.720 ppm2 8.486 CV 1 ASSI { 1817} (( segid " " and resid 1701 and name HE21)) (( segid " " and resid 1701 and name HB2 )) 3.000 1.200 1.200 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.13325E-02 ppm1 7.261 ppm2 2.340 CV 1 OR { 1817} (( segid " " and resid 1701 and name HE21)) (( segid " " and resid 1701 and name HG3 )) ASSI { 1819} (( segid " " and resid 1701 and name HE22)) (( segid " " and resid 1701 and name HG3 )) 4.300 2.300 1.700 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.65689E-03 ppm1 6.515 ppm2 2.338 CV 1 OR { 1819} (( segid " " and resid 1701 and name HE22)) (( segid " " and resid 1701 and name HB2 )) ASSI { 1821} (( segid " " and resid 1701 and name HE22)) (( segid " " and resid 1693 and name HG12)) 4.000 2.000 2.000 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.29934E-03 ppm1 6.515 ppm2 1.524 CV 1 ASSI { 1822} (( segid " " and resid 1701 and name HE21)) ( segid " " and resid 1697 and name HB% ) 3.200 3.200 2.800 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.63402E-03 ppm1 7.261 ppm2 1.522 CV 1 ASSI { 1823} (( segid " " and resid 1701 and name HE21)) (( segid " " and resid 1693 and name HG13)) 4.900 3.000 1.100 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.16006E-03 ppm1 7.263 ppm2 1.276 CV 1 ASSI { 1825} (( segid " " and resid 1701 and name HE21)) ( segid " " and resid 1693 and name HD1%) 3.400 1.500 1.500 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.10976E-02 ppm1 7.261 ppm2 0.828 CV 1 ASSI { 1827} (( segid " " and resid 1701 and name HE22)) (( segid " " and resid 1701 and name HE21)) 1.800 0.400 0.400 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.17915E-01 ppm1 6.515 ppm2 7.268 CV 1 ASSI { 1828} (( segid " " and resid 1764 and name HE21)) (( segid " " and resid 1764 and name HE22)) 2.000 0.500 0.500 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.65419E-02 ppm1 7.211 ppm2 6.335 CV 1 ASSI { 1834} (( segid " " and resid 1764 and name HE21)) (( segid " " and resid 1809 and name HB3 )) 4.300 2.300 1.700 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.14759E-03 ppm1 7.219 ppm2 2.620 CV 1 ASSI { 1835} (( segid " " and resid 1764 and name HE21)) ( segid " " and resid 1760 and name HB% ) 4.400 2.400 1.600 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.35755E-03 ppm1 7.208 ppm2 1.457 CV 1 ASSI { 1836} (( segid " " and resid 1764 and name HE22)) ( segid " " and resid 1760 and name HB% ) 4.700 2.700 1.300 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.19541E-03 ppm1 6.323 ppm2 1.456 CV 1 ASSI { 1837} (( segid " " and resid 1764 and name HE21)) ( segid " " and resid 1813 and name HG2%) 5.800 4.100 0.200 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.12264E-03 ppm1 7.219 ppm2 1.073 CV 1 ASSI { 1840} (( segid " " and resid 1815 and name HD21)) ( segid " " and resid 1703 and name HD2%) 4.500 2.500 1.500 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.87309E-03 ppm1 7.474 ppm2 0.878 CV 1 ASSI { 1842} (( segid " " and resid 1788 and name HE22)) (( segid " " and resid 1788 and name HB3 )) 5.400 3.700 0.600 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.16838E-03 ppm1 6.702 ppm2 2.141 CV 1 ASSI { 1843} (( segid " " and resid 1788 and name HE22)) (( segid " " and resid 1788 and name HB2 )) 5.200 3.400 0.800 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.20788E-03 ppm1 6.699 ppm2 2.301 CV 1 ASSI { 1845} (( segid " " and resid 1788 and name HE22)) (( segid " " and resid 1788 and name HE21)) 1.800 0.400 0.400 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.18717E-01 ppm1 6.700 ppm2 7.567 CV 1 ASSI { 1851} (( segid " " and resid 1669 and name HD21)) (( segid " " and resid 1773 and name HG )) 4.500 2.500 1.500 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.20788E-03 ppm1 6.594 ppm2 1.552 CV 1 ASSI { 1854} (( segid " " and resid 1707 and name HE21)) ( segid " " and resid 1703 and name HD2%) 3.000 1.100 1.100 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.24571E-02 ppm1 7.239 ppm2 0.889 CV 1 ASSI { 1856} (( segid " " and resid 1695 and name HE22)) (( segid " " and resid 1695 and name HE21)) 1.600 0.300 0.600 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.22422E-01 ppm1 6.742 ppm2 7.317 CV 1 ASSI { 1857} (( segid " " and resid 1695 and name HE22)) (( segid " " and resid 1752 and name HB )) 4.400 2.400 1.600 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.29519E-03 ppm1 6.742 ppm2 4.314 CV 1 OR { 1857} (( segid " " and resid 1695 and name HE22)) (( segid " " and resid 1752 and name HA )) ASSI { 1858} (( segid " " and resid 1695 and name HE22)) (( segid " " and resid 1748 and name HA )) 3.800 1.800 1.800 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.33884E-03 ppm1 6.742 ppm2 4.064 CV 1 ASSI { 1860} (( segid " " and resid 1695 and name HE21)) (( segid " " and resid 1752 and name HA )) 4.800 2.800 1.200 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.33468E-03 ppm1 7.311 ppm2 4.316 CV 1 OR { 1860} (( segid " " and resid 1695 and name HE21)) (( segid " " and resid 1752 and name HB )) ASSI { 1861} (( segid " " and resid 1695 and name HE21)) (( segid " " and resid 1748 and name HA )) 5.300 3.500 0.700 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.18293E-03 ppm1 7.310 ppm2 4.063 CV 1 ASSI { 1862} (( segid " " and resid 1695 and name HE21)) (( segid " " and resid 1751 and name HB2 )) 3.300 1.400 1.400 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.24404E-02 ppm1 7.309 ppm2 2.135 CV 1 ASSI { 1863} (( segid " " and resid 1695 and name HE21)) (( segid " " and resid 1695 and name HB3 )) 4.500 2.500 1.500 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.41783E-03 ppm1 7.310 ppm2 2.015 CV 1 ASSI { 1864} (( segid " " and resid 1695 and name HE21)) (( segid " " and resid 1751 and name HB3 )) 4.600 2.600 1.400 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.25777E-03 ppm1 7.311 ppm2 1.642 CV 1 ASSI { 1865} (( segid " " and resid 1695 and name HE21)) ( segid " " and resid 1748 and name HB% ) 4.500 2.500 1.500 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.48851E-03 ppm1 7.309 ppm2 1.442 CV 1 ASSI { 1866} (( segid " " and resid 1695 and name HE21)) ( segid " " and resid 1752 and name HG2%) 4.900 3.000 1.100 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.30142E-03 ppm1 7.310 ppm2 1.331 CV 1 ASSI { 1867} (( segid " " and resid 1695 and name HE22)) (( segid " " and resid 1751 and name HB2 )) 3.400 3.400 2.600 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 6.743 ppm2 2.136 CV 1 ASSI { 1868} (( segid " " and resid 1695 and name HE22)) (( segid " " and resid 1695 and name HB2 )) 4.900 3.000 1.100 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.25361E-03 ppm1 6.741 ppm2 2.021 CV 1 ASSI { 1869} (( segid " " and resid 1695 and name HE22)) ( segid " " and resid 1748 and name HB% ) 3.800 1.800 1.800 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.53008E-03 ppm1 6.741 ppm2 1.446 CV 1 ASSI { 1870} (( segid " " and resid 1695 and name HE22)) ( segid " " and resid 1752 and name HG2%) 4.700 2.700 1.300 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.29726E-03 ppm1 6.744 ppm2 1.330 CV 1 ASSI { 1871} (( segid " " and resid 1695 and name HE21)) ( segid " " and resid 1698 and name HD2%) 6.000 5.000 0.000 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.14551E-03 ppm1 7.308 ppm2 0.987 CV 1 ASSI { 1872} (( segid " " and resid 1695 and name HE21)) ( segid " " and resid 1814 and name HD2%) 4.600 2.600 1.400 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.22451E-03 ppm1 7.304 ppm2 0.833 CV 1 ASSI { 1873} (( segid " " and resid 1695 and name HE22)) ( segid " " and resid 1761 and name HD2%) 4.600 2.600 1.400 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.21204E-03 ppm1 6.746 ppm2 0.836 CV 1 ASSI { 1874} (( segid " " and resid 1785 and name HD21)) (( segid " " and resid 1785 and name HB3 )) 3.100 1.200 1.200 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.82321E-03 ppm1 6.980 ppm2 3.070 CV 1 ASSI { 1875} (( segid " " and resid 1785 and name HD21)) (( segid " " and resid 1785 and name HB2 )) 3.700 1.700 1.700 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.98740E-03 ppm1 6.981 ppm2 2.835 CV 1 ASSI { 1876} (( segid " " and resid 1785 and name HD22)) (( segid " " and resid 1785 and name HB2 )) 3.800 1.800 1.800 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.16319E-02 ppm1 7.721 ppm2 2.837 CV 1 ASSI { 1877} (( segid " " and resid 1785 and name HD22)) ( segid " " and resid 1782 and name HB% ) 5.400 3.700 0.600 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.18709E-03 ppm1 7.724 ppm2 1.501 CV 1 ASSI { 1878} (( segid " " and resid 1801 and name HE21)) (( segid " " and resid 1801 and name HG3 )) 3.000 1.100 1.100 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.14656E-02 ppm1 7.723 ppm2 2.472 CV 1 OR { 1878} (( segid " " and resid 1801 and name HE21)) (( segid " " and resid 1801 and name HG2 )) ASSI { 1879} (( segid " " and resid 1801 and name HE21)) (( segid " " and resid 1797 and name HB2 )) 4.000 2.000 2.000 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.51553E-03 ppm1 7.722 ppm2 2.130 CV 1 ASSI { 1880} (( segid " " and resid 1785 and name HD21)) (( segid " " and resid 1785 and name HD22)) 1.800 0.400 0.400 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.16603E-01 ppm1 6.981 ppm2 7.728 CV 1 ASSI { 1882} (( segid " " and resid 1658 and name HE22)) (( segid " " and resid 1658 and name HE21)) 1.700 0.400 0.500 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.21006E-01 ppm1 7.310 ppm2 7.987 CV 1 ASSI { 1884} (( segid " " and resid 1658 and name HE22)) (( segid " " and resid 1783 and name HA3 )) 3.800 1.800 1.800 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.41575E-03 ppm1 7.309 ppm2 3.791 CV 1 ASSI { 1885} (( segid " " and resid 1658 and name HE22)) (( segid " " and resid 1783 and name HA2 )) 4.500 2.500 1.500 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.45317E-03 ppm1 7.310 ppm2 3.651 CV 1 ASSI { 1891} (( segid " " and resid 1658 and name HE22)) (( segid " " and resid 1658 and name HB3 )) 5.000 3.100 1.000 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.39913E-03 ppm1 7.310 ppm2 2.190 CV 1 ASSI { 1892} (( segid " " and resid 1658 and name HE21)) (( segid " " and resid 1658 and name HG3 )) 3.000 1.100 1.100 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.16276E-02 ppm1 7.980 ppm2 2.443 CV 1 ASSI { 1894} (( segid " " and resid 1658 and name HE21)) (( segid " " and resid 1658 and name HB2 )) 3.900 1.900 1.900 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.74006E-03 ppm1 7.980 ppm2 2.193 CV 1 OR { 1894} (( segid " " and resid 1658 and name HE21)) (( segid " " and resid 1658 and name HB3 )) ASSI { 1895} (( segid " " and resid 1658 and name HE22)) (( segid " " and resid 1780 and name HG2 )) 3.500 1.500 1.500 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.84811E-03 ppm1 7.310 ppm2 1.616 CV 1 ASSI { 1896} (( segid " " and resid 1658 and name HE22)) ( segid " " and resid 1727 and name HD2%) 4.400 2.500 1.600 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.41575E-03 ppm1 7.310 ppm2 0.762 CV 1 ASSI { 1897} (( segid " " and resid 1658 and name HE21)) ( segid " " and resid 1727 and name HD2%) 4.300 2.400 1.700 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.47811E-03 ppm1 7.980 ppm2 0.760 CV 1 ASSI { 1898} (( segid " " and resid 1677 and name HE22)) ( segid " " and resid 1680 and name HD2%) 3.200 1.300 1.300 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.58829E-03 ppm1 6.838 ppm2 0.892 CV 1 ASSI { 1899} (( segid " " and resid 1736 and name HE22)) ( segid " " and resid 1712 and name HD2%) 6.000 5.100 0.000 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.14759E-03 ppm1 6.686 ppm2 0.995 CV 1 ASSI { 1900} (( segid " " and resid 1736 and name HE22)) (( segid " " and resid 1736 and name HG2 )) 4.500 2.600 1.500 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.50098E-03 ppm1 6.685 ppm2 1.807 CV 1 OR { 1900} (( segid " " and resid 1736 and name HE22)) (( segid " " and resid 1736 and name HB3 )) ASSI { 1903} (( segid " " and resid 1736 and name HE22)) (( segid " " and resid 1736 and name HE21)) 1.600 0.300 0.600 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.30595E-01 ppm1 6.684 ppm2 7.225 CV 1 ASSI { 1906} (( segid " " and resid 1736 and name HE21)) (( segid " " and resid 1736 and name HG3 )) 3.600 1.600 1.600 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.20247E-02 ppm1 7.217 ppm2 2.220 CV 1 ASSI { 1907} (( segid " " and resid 1736 and name HE21)) (( segid " " and resid 1733 and name HB3 )) 4.200 2.200 1.800 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.15799E-03 ppm1 7.219 ppm2 2.056 CV 1 ASSI { 1908} (( segid " " and resid 1736 and name HE21)) (( segid " " and resid 1736 and name HG2 )) 3.000 1.100 1.100 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.85853E-03 ppm1 7.218 ppm2 1.810 CV 1 ASSI { 1909} (( segid " " and resid 1736 and name HE21)) ( segid " " and resid 1712 and name HD2%) 5.200 3.300 0.800 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.28479E-03 ppm1 7.216 ppm2 0.992 CV 1 ASSI { 1910} (( segid " " and resid 1793 and name HE22)) (( segid " " and resid 1793 and name HE21)) 1.600 0.300 0.600 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.37451E-01 ppm1 6.716 ppm2 7.521 CV 1 ASSI { 1912} (( segid " " and resid 1793 and name HE21)) (( segid " " and resid 1793 and name HG3 )) 2.700 0.900 0.900 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.28770E-02 ppm1 7.514 ppm2 2.399 CV 1 OR { 1912} (( segid " " and resid 1793 and name HE21)) (( segid " " and resid 1793 and name HG2 )) ASSI { 1913} (( segid " " and resid 1726 and name HE22)) (( segid " " and resid 1726 and name HG3 )) 5.100 3.300 0.900 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.24945E-03 ppm1 6.806 ppm2 2.474 CV 1 ASSI { 1914} (( segid " " and resid 1726 and name HE22)) (( segid " " and resid 1726 and name HG2 )) 4.300 2.300 1.700 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.70678E-03 ppm1 6.805 ppm2 2.355 CV 1 OR { 1914} (( segid " " and resid 1726 and name HE22)) (( segid " " and resid 1726 and name HB2 )) ASSI { 1915} (( segid " " and resid 1726 and name HE21)) (( segid " " and resid 1726 and name HG3 )) 3.500 1.500 1.500 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.60284E-03 ppm1 7.531 ppm2 2.474 CV 1 ASSI { 1916} (( segid " " and resid 1726 and name HE21)) (( segid " " and resid 1726 and name HG2 )) 3.200 1.300 1.300 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.14177E-02 ppm1 7.531 ppm2 2.354 CV 1 OR { 1916} (( segid " " and resid 1726 and name HE21)) (( segid " " and resid 1726 and name HB2 )) ASSI { 1917} (( segid " " and resid 1726 and name HE22)) ( segid " " and resid 1719 and name HB% ) 4.100 2.100 1.900 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.14759E-03 ppm1 6.803 ppm2 1.457 CV 1 ASSI { 1918} (( segid " " and resid 1726 and name HE21)) ( segid " " and resid 1719 and name HB% ) 4.100 2.100 1.900 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.14551E-03 ppm1 7.533 ppm2 1.460 CV 1 ASSI { 1920} (( segid " " and resid 1726 and name HE21)) (( segid " " and resid 1726 and name HE22)) 1.700 0.300 0.500 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.33007E-01 ppm1 7.532 ppm2 6.813 CV 1 ASSI { 1922} (( segid " " and resid 1801 and name HE22)) (( segid " " and resid 1797 and name HB2 )) 4.100 2.100 1.900 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.13512E-03 ppm1 6.763 ppm2 2.129 CV 1 ASSI { 1923} (( segid " " and resid 1677 and name HE21)) ( segid " " and resid 1680 and name HD2%) 3.200 1.200 1.200 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.68596E-03 ppm1 7.502 ppm2 0.893 CV 1 ASSI { 1924} (( segid " " and resid 1677 and name HE21)) (( segid " " and resid 1677 and name HG2 )) 4.200 2.200 1.800 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.25777E-03 ppm1 7.503 ppm2 2.591 CV 1 ASSI { 1925} (( segid " " and resid 1677 and name HE22)) (( segid " " and resid 1677 and name HG2 )) 5.500 3.700 0.500 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.15175E-03 ppm1 6.840 ppm2 2.591 CV 1 ASSI { 1926} (( segid " " and resid 1677 and name HE22)) (( segid " " and resid 1677 and name HG3 )) 5.100 3.300 0.900 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.22867E-03 ppm1 6.837 ppm2 2.487 CV 1 ASSI { 1927} (( segid " " and resid 1677 and name HE21)) (( segid " " and resid 1677 and name HG3 )) 3.800 1.800 1.800 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.43862E-03 ppm1 7.503 ppm2 2.489 CV 1 ASSI { 1928} (( segid " " and resid 1677 and name HE22)) (( segid " " and resid 1677 and name HE21)) 1.600 0.300 0.600 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.47706E-01 ppm1 6.838 ppm2 7.510 CV 1 ASSI { 1930} (( segid " " and resid 1707 and name HE22)) (( segid " " and resid 1707 and name HG2 )) 4.700 2.700 1.300 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.45732E-03 ppm1 6.792 ppm2 2.473 CV 1 ASSI { 1931} (( segid " " and resid 1707 and name HE22)) (( segid " " and resid 1707 and name HG3 )) 4.000 2.000 2.000 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.96250E-03 ppm1 6.792 ppm2 2.242 CV 1 ASSI { 1932} (( segid " " and resid 1707 and name HE22)) (( segid " " and resid 1703 and name HG )) 4.800 2.900 1.200 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.36586E-03 ppm1 6.791 ppm2 1.550 CV 1 ASSI { 1934} (( segid " " and resid 1707 and name HE21)) (( segid " " and resid 1703 and name HG )) 4.300 2.300 1.700 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.64441E-03 ppm1 7.238 ppm2 1.549 CV 1 ASSI { 1937} (( segid " " and resid 1707 and name HE22)) (( segid " " and resid 1707 and name HE21)) 1.600 0.300 0.600 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.35890E-01 ppm1 6.792 ppm2 7.247 CV 1 ASSI { 1938} (( segid " " and resid 1733 and name HE21)) (( segid " " and resid 1733 and name HG2 )) 3.900 1.900 1.900 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.76081E-03 ppm1 7.259 ppm2 2.378 CV 1 ASSI { 1939} (( segid " " and resid 1733 and name HE21)) (( segid " " and resid 1733 and name HB3 )) 5.000 3.100 1.000 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.19125E-03 ppm1 7.261 ppm2 2.063 CV 1 ASSI { 1940} (( segid " " and resid 1733 and name HE22)) (( segid " " and resid 1733 and name HG2 )) 4.800 2.900 1.200 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.43030E-03 ppm1 6.762 ppm2 2.379 CV 1 ASSI { 1941} (( segid " " and resid 1733 and name HE22)) (( segid " " and resid 1733 and name HG3 )) 4.100 2.100 1.900 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.95209E-03 ppm1 6.763 ppm2 2.242 CV 1 OR { 1941} (( segid " " and resid 1733 and name HE22)) (( segid " " and resid 1733 and name HB2 )) ASSI { 1942} (( segid " " and resid 1733 and name HE22)) (( segid " " and resid 1733 and name HB3 )) 5.600 4.000 0.400 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.12473E-03 ppm1 6.765 ppm2 2.058 CV 1 ASSI { 1943} (( segid " " and resid 1733 and name HE21)) ( segid " " and resid 1712 and name HD2%) 3.700 1.700 1.700 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.72550E-03 ppm1 7.258 ppm2 0.995 CV 1 ASSI { 1944} (( segid " " and resid 1733 and name HE22)) ( segid " " and resid 1712 and name HD2%) 4.000 2.000 2.000 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.54672E-03 ppm1 6.763 ppm2 0.996 CV 1 ASSI { 1946} (( segid " " and resid 1733 and name HE21)) (( segid " " and resid 1733 and name HE22)) 1.600 0.300 0.600 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.30539E-01 ppm1 7.259 ppm2 6.770 CV 1 ASSI { 1947} (( segid " " and resid 1671 and name H )) ( segid " " and resid 1675 and name HD1%) 4.700 2.800 1.300 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.26400E-03 ppm1 7.967 ppm2 0.803 CV 1 ASSI { 1948} (( segid " " and resid 1810 and name H )) (( segid " " and resid 1809 and name H )) 2.600 0.800 0.800 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.35588E-02 ppm1 7.518 ppm2 8.435 CV 1 ASSI { 1949} (( segid " " and resid 1783 and name H )) (( segid " " and resid 1781 and name H )) 4.400 2.400 1.600 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.22867E-03 ppm1 8.549 ppm2 7.400 CV 1 ASSI { 1951} (( segid " " and resid 1783 and name H )) (( segid " " and resid 1781 and name HB2 )) 4.900 3.000 1.100 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.31805E-03 ppm1 8.553 ppm2 2.159 CV 1 ASSI { 1952} (( segid " " and resid 1783 and name H )) ( segid " " and resid 1779 and name HB% ) 4.100 2.100 1.900 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.47604E-03 ppm1 8.550 ppm2 1.354 CV 1 ASSI { 1953} (( segid " " and resid 1809 and name H )) (( segid " " and resid 1805 and name HG3 )) 4.000 2.000 2.000 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.49682E-03 ppm1 8.417 ppm2 2.317 CV 1 ASSI { 1954} (( segid " " and resid 1809 and name H )) (( segid " " and resid 1808 and name HA )) 3.300 1.300 1.300 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 8.415 ppm2 4.036 CV 1 ASSI { 1959} (( segid " " and resid 1803 and name H )) ( segid " " and resid 1713 and name HG2%) 4.100 2.100 1.900 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 8.341 ppm2 0.995 CV 1 OR { 1959} (( segid " " and resid 1803 and name H )) ( segid " " and resid 1713 and name HD1%) ASSI { 1965} (( segid " " and resid 1798 and name H )) ( segid " " and resid 1795 and name HB% ) 4.200 2.200 1.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.62987E-03 ppm1 8.200 ppm2 1.513 CV 1 ASSI { 1966} (( segid " " and resid 1797 and name H )) (( segid " " and resid 1797 and name HB3 )) 2.500 0.800 0.800 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.60263E-02 ppm1 7.944 ppm2 2.145 CV 1 OR { 1966} (( segid " " and resid 1797 and name H )) (( segid " " and resid 1797 and name HB2 )) ASSI { 1971} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1778 and name HB )) 2.900 1.100 1.100 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.25548E-02 ppm1 9.196 ppm2 4.095 CV 1 OR { 1971} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1778 and name HA )) ASSI { 1976} (( segid " " and resid 1768 and name H )) (( segid " " and resid 1767 and name HB )) 2.600 0.800 0.800 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.27232E-02 ppm1 7.743 ppm2 4.172 CV 1 ASSI { 1982} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1758 and name HG2 )) 3.000 1.100 1.100 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 8.322 ppm2 2.484 CV 1 ASSI { 1983} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1758 and name HB3 )) 2.500 0.800 0.800 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.26400E-02 ppm1 8.322 ppm2 2.295 CV 1 ASSI { 1984} (( segid " " and resid 1811 and name H )) (( segid " " and resid 1764 and name HE22)) 4.400 2.400 1.600 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.53216E-03 ppm1 8.428 ppm2 6.317 CV 1 ASSI { 1985} (( segid " " and resid 1751 and name H )) (( segid " " and resid 1751 and name HB3 )) 3.100 1.200 1.200 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.19353E-02 ppm1 7.067 ppm2 1.614 CV 1 OR { 1985} (( segid " " and resid 1751 and name H )) (( segid " " and resid 1751 and name HG2 )) ASSI { 1987} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1736 and name HE21)) 3.000 1.200 1.200 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.26962E-02 ppm1 7.324 ppm2 7.170 CV 1 ASSI { 1990} (( segid " " and resid 1735 and name H )) (( segid " " and resid 1734 and name HB2 )) 3.700 1.800 1.800 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.21328E-02 ppm1 8.282 ppm2 2.189 CV 1 ASSI { 1995} (( segid " " and resid 1723 and name H )) (( segid " " and resid 1784 and name HA2 )) 3.100 1.200 1.200 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.21016E-02 ppm1 8.928 ppm2 3.771 CV 1 OR { 1995} (( segid " " and resid 1723 and name H )) (( segid " " and resid 1784 and name HA3 )) ASSI { 1998} (( segid " " and resid 1718 and name H )) (( segid " " and resid 1718 and name HB3 )) 2.500 0.800 0.800 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.54983E-02 ppm1 8.885 ppm2 3.953 CV 1 OR { 1998} (( segid " " and resid 1718 and name H )) (( segid " " and resid 1718 and name HB2 )) ASSI { 2014} (( segid " " and resid 1700 and name H )) (( segid " " and resid 1699 and name HB3 )) 2.900 1.000 1.000 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.20995E-02 ppm1 8.327 ppm2 3.251 CV 1 ASSI { 2015} (( segid " " and resid 1698 and name H )) (( segid " " and resid 1695 and name HA )) 3.400 1.400 1.400 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.10747E-02 ppm1 7.846 ppm2 3.982 CV 1 ASSI { 2016} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1699 and name HB3 )) 2.700 0.900 0.900 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.29996E-02 ppm1 8.627 ppm2 3.252 CV 1 ASSI { 2020} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1695 and name HE22)) 3.300 1.400 1.400 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.53840E-03 ppm1 8.627 ppm2 6.792 CV 1 ASSI { 2024} (( segid " " and resid 1693 and name H )) (( segid " " and resid 1747 and name HA3 )) 3.800 1.800 1.800 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.11787E-02 ppm1 7.386 ppm2 3.749 CV 1 OR { 2024} (( segid " " and resid 1693 and name H )) (( segid " " and resid 1747 and name HA2 )) ASSI { 2032} (( segid " " and resid 1681 and name H )) ( segid " " and resid 1682 and name HB% ) 4.200 2.200 1.800 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.96250E-03 ppm1 7.879 ppm2 1.536 CV 1 ASSI { 2035} (( segid " " and resid 1677 and name H )) (( segid " " and resid 1677 and name HB2 )) 2.500 0.800 0.800 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.67622E-02 ppm1 8.247 ppm2 2.243 CV 1 OR { 2035} (( segid " " and resid 1677 and name H )) (( segid " " and resid 1677 and name HB3 )) ASSI { 2039} (( segid " " and resid 1668 and name H )) (( segid " " and resid 1665 and name HG13)) 5.800 4.300 0.200 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.13927E-03 ppm1 8.517 ppm2 0.592 CV 1 ASSI { 2041} (( segid " " and resid 1664 and name H )) ( segid " " and resid 1731 and name HG2%) 5.000 3.100 1.000 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.29519E-03 ppm1 8.064 ppm2 1.091 CV 1 ASSI { 2042} (( segid " " and resid 1660 and name H )) (( segid " " and resid 1728 and name HA2 )) 5.100 3.200 0.900 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.27024E-03 ppm1 9.637 ppm2 3.611 CV 1 ASSI { 2045} (( segid " " and resid 1659 and name H )) ( segid " " and resid 1663 and name HG2%) 4.500 2.500 1.500 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.41575E-03 ppm1 8.622 ppm2 1.225 CV 1 ASSI { 2048} (( segid " " and resid 1684 and name H )) ( segid " " and resid 1682 and name HB% ) 4.700 2.700 1.300 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.37834E-03 ppm1 7.422 ppm2 1.535 CV 1 ASSI { 2050} (( segid " " and resid 1685 and name H )) ( segid " " and resid 1682 and name HB% ) 4.700 2.800 1.300 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.31182E-03 ppm1 7.994 ppm2 1.533 CV 1 ASSI { 2052} (( segid " " and resid 1697 and name H )) ( segid " " and resid 1693 and name HG2%) 5.000 3.200 1.000 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.29726E-03 ppm1 7.950 ppm2 0.807 CV 1 OR { 2052} (( segid " " and resid 1697 and name H )) ( segid " " and resid 1693 and name HD1%) ASSI { 2053} (( segid " " and resid 1698 and name H )) ( segid " " and resid 1693 and name HG2%) 4.000 2.000 2.000 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.79620E-03 ppm1 7.845 ppm2 0.807 CV 1 OR { 2053} (( segid " " and resid 1698 and name H )) ( segid " " and resid 1693 and name HD1%) ASSI { 2054} (( segid " " and resid 1700 and name H )) (( segid " " and resid 1703 and name HB3 )) 4.400 2.500 1.600 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.24321E-03 ppm1 8.332 ppm2 1.758 CV 1 ASSI { 2056} (( segid " " and resid 1701 and name H )) ( segid " " and resid 1698 and name HD2%) 4.900 3.000 1.100 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.32013E-03 ppm1 8.309 ppm2 0.995 CV 1 ASSI { 2064} (( segid " " and resid 1723 and name H )) ( segid " " and resid 1727 and name HD2%) 4.800 2.900 1.200 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.22867E-03 ppm1 8.922 ppm2 0.795 CV 1 OR { 2064} (( segid " " and resid 1723 and name H )) ( segid " " and resid 1727 and name HD1%) ASSI { 2068} (( segid " " and resid 1788 and name H )) (( segid " " and resid 1788 and name HG3 )) 3.400 1.400 1.400 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.17711E-02 ppm1 7.950 ppm2 2.442 CV 1 OR { 2068} (( segid " " and resid 1788 and name H )) (( segid " " and resid 1788 and name HG2 )) ASSI { 2070} (( segid " " and resid 1736 and name H )) (( segid " " and resid 1736 and name HE21)) 4.700 2.700 1.300 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.32429E-03 ppm1 7.368 ppm2 7.173 CV 1 ASSI { 2072} (( segid " " and resid 1738 and name H )) ( segid " " and resid 1668 and name HD2%) 5.200 3.400 0.800 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.20995E-03 ppm1 7.624 ppm2 0.369 CV 1 ASSI { 2073} (( segid " " and resid 1749 and name H )) (( segid " " and resid 1747 and name HA2 )) 5.000 3.100 1.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.13096E-03 ppm1 9.078 ppm2 3.718 CV 1 OR { 2073} (( segid " " and resid 1749 and name H )) (( segid " " and resid 1747 and name HA3 )) ASSI { 2076} (( segid " " and resid 1761 and name H )) ( segid " " and resid 1810 and name HD1%) 5.600 3.900 0.400 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.15799E-03 ppm1 7.776 ppm2 0.968 CV 1 ASSI { 2078} (( segid " " and resid 1765 and name H )) (( segid " " and resid 1764 and name HG2 )) 4.800 2.900 1.200 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.27856E-03 ppm1 7.888 ppm2 2.816 CV 1 ASSI { 2083} (( segid " " and resid 1779 and name H )) ( segid " " and resid 1665 and name HD1%) 5.300 3.500 0.700 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.16214E-03 ppm1 9.198 ppm2 0.468 CV 1 ASSI { 2085} (( segid " " and resid 1785 and name H )) (( segid " " and resid 1793 and name HE22)) 4.500 2.500 1.500 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.25777E-03 ppm1 7.659 ppm2 6.705 CV 1 ASSI { 2086} (( segid " " and resid 1789 and name H )) ( segid " " and resid 1792 and name HG2%) 5.200 3.300 0.800 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.23282E-03 ppm1 8.476 ppm2 1.221 CV 1 ASSI { 2090} (( segid " " and resid 1804 and name H )) (( segid " " and resid 1807 and name HB )) 5.300 3.500 0.700 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.16006E-03 ppm1 8.528 ppm2 2.390 CV 1 ASSI { 2092} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1815 and name HD22)) 5.400 3.600 0.600 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.20372E-03 ppm1 8.498 ppm2 6.699 CV 1 ASSI { 2094} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1816 and name HA )) 5.600 3.900 0.400 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.12473E-03 ppm1 8.497 ppm2 4.160 CV 1 ASSI { 2097} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1815 and name HA )) 4.400 2.500 1.600 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.22867E-03 ppm1 7.963 ppm2 4.605 CV 1 ASSI { 2098} (( segid " " and resid 1818 and name H )) (( segid " " and resid 1815 and name HA )) 3.300 1.300 1.300 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 7.913 ppm2 4.605 CV 1 ASSI { 2099} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1814 and name HA )) 3.000 1.100 1.100 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.16006E-02 ppm1 7.964 ppm2 3.959 CV 1 ASSI { 2100} (( segid " " and resid 1701 and name HE22)) ( segid " " and resid 1698 and name HD2%) 4.700 2.800 1.300 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.20995E-03 ppm1 6.515 ppm2 0.996 CV 1 ASSI { 2101} (( segid " " and resid 1701 and name HE21)) ( segid " " and resid 1698 and name HD2%) 4.500 2.600 1.500 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.20788E-03 ppm1 7.260 ppm2 0.990 CV 1 ASSI { 2102} (( segid " " and resid 1764 and name HE21)) (( segid " " and resid 1764 and name HA )) 5.400 3.600 0.600 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.16422E-03 ppm1 7.204 ppm2 4.213 CV 1 ASSI { 2106} (( segid " " and resid 1815 and name HD22)) ( segid " " and resid 1703 and name HD2%) 3.400 1.500 1.500 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.65065E-03 ppm1 6.692 ppm2 0.888 CV 1 OR { 2106} (( segid " " and resid 1815 and name HD22)) ( segid " " and resid 1703 and name HD1%) ASSI { 2108} (( segid " " and resid 1815 and name HD22)) (( segid " " and resid 1815 and name HD21)) 1.600 0.300 0.600 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.16688E-01 ppm1 6.692 ppm2 7.478 CV 1 ASSI { 2110} (( segid " " and resid 1733 and name HE21)) (( segid " " and resid 1729 and name HA )) 4.600 2.600 1.400 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.15799E-03 ppm1 7.213 ppm2 4.512 CV 1 ASSI { 2111} (( segid " " and resid 1707 and name HE21)) (( segid " " and resid 1704 and name HB )) 3.300 3.300 2.700 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.54256E-03 ppm1 7.221 ppm2 4.239 CV 1 ASSI { 2112} (( segid " " and resid 1733 and name HE21)) (( segid " " and resid 1730 and name HE2 )) 2.900 2.900 3.100 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.11474E-02 ppm1 7.224 ppm2 2.973 CV 1 ASSI { 2114} (( segid " " and resid 1707 and name HE21)) ( segid " " and resid 1703 and name HD1%) 2.900 1.000 1.000 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.22617E-02 ppm1 7.228 ppm2 0.846 CV 1 ASSI { 2116} (( segid " " and resid 1669 and name HD21)) (( segid " " and resid 1669 and name HD22)) 2.100 0.500 0.500 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.74938E-02 ppm1 6.594 ppm2 7.233 CV 1 ASSI { 2118} (( segid " " and resid 1785 and name HD22)) (( segid " " and resid 1785 and name HB3 )) 3.900 1.900 1.900 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.13720E-02 ppm1 7.721 ppm2 3.069 CV 1 ASSI { 2119} (( segid " " and resid 1801 and name HE21)) (( segid " " and resid 1801 and name HB3 )) 4.200 2.200 1.800 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.54879E-03 ppm1 7.722 ppm2 2.308 CV 1 ASSI { 2120} (( segid " " and resid 1785 and name HD21)) (( segid " " and resid 1787 and name HB3 )) 5.900 4.300 0.100 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.18709E-03 ppm1 6.982 ppm2 1.812 CV 1 ASSI { 2121} (( segid " " and resid 1658 and name HE21)) (( segid " " and resid 1658 and name HA )) 3.500 1.500 1.500 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.71509E-03 ppm1 7.980 ppm2 3.956 CV 1 ASSI { 2123} (( segid " " and resid 1658 and name HE21)) ( segid " " and resid 1655 and name HB% ) 3.700 1.700 1.700 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.59037E-03 ppm1 7.980 ppm2 1.434 CV 1 ASSI { 2124} (( segid " " and resid 1658 and name HE22)) ( segid " " and resid 1655 and name HB% ) 3.700 1.700 1.700 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.87098E-03 ppm1 7.309 ppm2 1.421 CV 1 ASSI { 2127} (( segid " " and resid 1726 and name HE21)) (( segid " " and resid 1726 and name HB3 )) 4.400 2.400 1.600 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.21411E-03 ppm1 7.530 ppm2 2.016 CV 1 ASSI { 2128} (( segid " " and resid 1707 and name HE22)) (( segid " " and resid 1707 and name HB2 )) 5.700 4.100 0.300 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.14967E-03 ppm1 6.794 ppm2 1.849 CV 1 ASSI { 2129} (( segid " " and resid 1707 and name HE21)) (( segid " " and resid 1707 and name HB2 )) 3.800 1.900 1.900 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.23906E-03 ppm1 7.241 ppm2 1.842 CV 1 ASSI { 1} ( segid " " and resid 1777 and name HE% ) (( segid " " and resid 1773 and name HB3 )) 3.400 1.400 1.400 peak 1 spectrum 1 weight 0.10000E+01 volume 0.23137E-02 ppm1 6.812 ppm2 1.755 CV 1 ASSI { 3} ( segid " " and resid 1737 and name HD% ) (( segid " " and resid 1739 and name H )) 3.900 1.900 1.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.13414E-02 ppm1 7.168 ppm2 8.895 CV 1 ASSI { 4} ( segid " " and resid 1737 and name HD% ) ( segid " " and resid 1737 and name HE% ) 1.900 0.400 0.400 peak 4 spectrum 1 weight 0.10000E+01 volume 0.22701E-01 ppm1 7.174 ppm2 6.806 CV 1 ASSI { 5} ( segid " " and resid 1738 and name HD% ) ( segid " " and resid 1737 and name HD% ) 3.200 1.300 1.300 peak 5 spectrum 1 weight 0.10000E+01 volume 0.27424E-02 ppm1 7.292 ppm2 7.186 CV 1 ASSI { 8} ( segid " " and resid 1777 and name HD% ) (( segid " " and resid 1777 and name HA )) 2.400 0.700 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.73781E-02 ppm1 7.172 ppm2 4.228 CV 1 ASSI { 10} ( segid " " and resid 1737 and name HD% ) (( segid " " and resid 1705 and name HA )) 2.600 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.38258E-02 ppm1 7.178 ppm2 3.958 CV 1 ASSI { 12} ( segid " " and resid 1737 and name HD% ) (( segid " " and resid 1737 and name HB3 )) 2.600 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.49808E-02 ppm1 7.184 ppm2 2.648 CV 1 ASSI { 13} ( segid " " and resid 1777 and name HD% ) (( segid " " and resid 1773 and name HG )) 2.300 0.700 0.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.46553E-02 ppm1 7.178 ppm2 1.569 CV 1 ASSI { 14} ( segid " " and resid 1737 and name HD% ) ( segid " " and resid 1712 and name HD2%) 3.000 1.100 1.100 peak 14 spectrum 1 weight 0.10000E+01 volume 0.43616E-02 ppm1 7.178 ppm2 0.972 CV 1 ASSI { 16} ( segid " " and resid 1777 and name HD% ) ( segid " " and resid 1665 and name HD1%) 2.700 0.900 0.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.38893E-02 ppm1 7.173 ppm2 0.461 CV 1 ASSI { 17} ( segid " " and resid 1777 and name HE% ) ( segid " " and resid 1665 and name HD1%) 2.800 1.000 1.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.30162E-02 ppm1 6.816 ppm2 0.465 CV 1 ASSI { 18} ( segid " " and resid 1777 and name HE% ) ( segid " " and resid 1773 and name HD1%) 2.800 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.57269E-02 ppm1 6.812 ppm2 0.932 CV 1 ASSI { 19} ( segid " " and resid 1777 and name HE% ) ( segid " " and resid 1773 and name HD2%) 2.300 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.94256E-02 ppm1 6.812 ppm2 0.844 CV 1 ASSI { 20} ( segid " " and resid 1777 and name HE% ) (( segid " " and resid 1773 and name HG )) 2.700 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.29606E-02 ppm1 6.809 ppm2 1.553 CV 1 ASSI { 21} ( segid " " and resid 1777 and name HD% ) ( segid " " and resid 1777 and name HE% ) 1.800 0.400 0.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.39231E-01 ppm1 7.173 ppm2 6.806 CV 1 ASSI { 23} ( segid " " and resid 1777 and name HD% ) (( segid " " and resid 1777 and name H )) 3.300 1.400 1.400 peak 23 spectrum 1 weight 0.10000E+01 volume 0.19843E-02 ppm1 7.171 ppm2 8.893 CV 1 ASSI { 25} (( segid " " and resid 1738 and name HZ )) (( segid " " and resid 1768 and name HG )) 2.200 0.600 0.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.31472E-02 ppm1 6.996 ppm2 1.769 CV 1 ASSI { 32} ( segid " " and resid 1737 and name HE% ) (( segid " " and resid 1734 and name HA )) 3.400 1.400 1.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.12025E-02 ppm1 6.772 ppm2 4.051 CV 1 ASSI { 33} ( segid " " and resid 1737 and name HE% ) (( segid " " and resid 1733 and name HA )) 3.500 1.500 1.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.20836E-02 ppm1 6.765 ppm2 3.945 CV 1 ASSI { 35} ( segid " " and resid 1737 and name HE% ) (( segid " " and resid 1737 and name HB2 )) 4.100 2.100 1.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.90881E-03 ppm1 6.774 ppm2 3.088 CV 1 ASSI { 37} ( segid " " and resid 1737 and name HE% ) (( segid " " and resid 1733 and name HB2 )) 3.200 1.300 1.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.23812E-02 ppm1 6.767 ppm2 2.259 CV 1 ASSI { 38} ( segid " " and resid 1737 and name HE% ) (( segid " " and resid 1737 and name HB3 )) 3.000 3.000 3.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.94453E-03 ppm1 6.772 ppm2 2.626 CV 1 ASSI { 39} ( segid " " and resid 1737 and name HE% ) (( segid " " and resid 1733 and name HB3 )) 2.600 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.29845E-02 ppm1 6.773 ppm2 2.046 CV 1 ASSI { 41} ( segid " " and resid 1737 and name HE% ) ( segid " " and resid 1712 and name HD2%) 2.200 0.600 0.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.77313E-02 ppm1 6.768 ppm2 0.999 CV 1 ASSI { 42} ( segid " " and resid 1737 and name HD% ) (( segid " " and resid 1709 and name HG12)) 2.600 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.24170E-02 ppm1 7.180 ppm2 0.838 CV 1 ASSI { 44} ( segid " " and resid 1737 and name HE% ) (( segid " " and resid 1708 and name HB3 )) 2.900 1.000 1.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.16629E-02 ppm1 6.763 ppm2 1.199 CV 1 ASSI { 46} ( segid " " and resid 1737 and name HD% ) (( segid " " and resid 1740 and name HG2 )) 3.400 1.400 1.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.17701E-02 ppm1 7.181 ppm2 2.318 CV 1 ASSI { 47} ( segid " " and resid 1777 and name HD% ) (( segid " " and resid 1665 and name HG12)) 2.900 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.26591E-02 ppm1 7.180 ppm2 1.693 CV 1 ASSI { 48} ( segid " " and resid 1738 and name HE% ) ( segid " " and resid 1738 and name HD% ) 2.000 0.500 0.500 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10370E-01 ppm1 7.065 ppm2 7.283 CV 1 ASSI { 51} ( segid " " and resid 1738 and name HE% ) (( segid " " and resid 1738 and name HA )) 3.700 1.700 1.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.79769E-03 ppm1 7.068 ppm2 4.265 CV 1 ASSI { 57} ( segid " " and resid 1738 and name HE% ) (( segid " " and resid 1738 and name HB3 )) 4.000 2.000 2.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.10001E-02 ppm1 7.061 ppm2 3.374 CV 1 ASSI { 58} ( segid " " and resid 1738 and name HE% ) (( segid " " and resid 1738 and name HB2 )) 4.200 2.200 1.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.71835E-03 ppm1 7.070 ppm2 3.132 CV 1 ASSI { 64} ( segid " " and resid 1738 and name HE% ) (( segid " " and resid 1768 and name HG )) 2.900 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.84138E-03 ppm1 7.070 ppm2 1.795 CV 1 ASSI { 65} ( segid " " and resid 1738 and name HD% ) (( segid " " and resid 1768 and name HG )) 4.500 2.600 1.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.76598E-03 ppm1 7.285 ppm2 1.762 CV 1 ASSI { 66} ( segid " " and resid 1738 and name HE% ) ( segid " " and resid 1705 and name HB% ) 4.100 2.100 1.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.76993E-03 ppm1 7.066 ppm2 1.581 CV 1 ASSI { 68} ( segid " " and resid 1738 and name HD% ) ( segid " " and resid 1735 and name HB% ) 4.500 2.500 1.500 peak 68 spectrum 1 weight 0.10000E+01 volume 0.67071E-03 ppm1 7.296 ppm2 1.445 CV 1 ASSI { 70} (( segid " " and resid 1738 and name HZ )) ( segid " " and resid 1709 and name HG2%) 2.800 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.20161E-02 ppm1 6.994 ppm2 0.810 CV 1 ASSI { 71} (( segid " " and resid 1738 and name HZ )) ( segid " " and resid 1768 and name HD2%) 2.900 1.100 1.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.17820E-02 ppm1 6.992 ppm2 0.896 CV 1 ASSI { 72} (( segid " " and resid 1738 and name HZ )) ( segid " " and resid 1768 and name HD1%) 3.200 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.13573E-02 ppm1 6.992 ppm2 1.057 CV 1 ASSI { 75} ( segid " " and resid 1738 and name HD% ) ( segid " " and resid 1709 and name HG2%) 4.100 2.100 1.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.61515E-03 ppm1 7.291 ppm2 0.809 CV 1 OR { 75} ( segid " " and resid 1738 and name HD% ) (( segid " " and resid 1709 and name HG12)) ASSI { 80} (( segid " " and resid 1738 and name HZ )) ( segid " " and resid 1709 and name HD1%) 3.100 1.200 1.200 peak 80 spectrum 1 weight 0.10000E+01 volume 0.99217E-03 ppm1 6.992 ppm2 0.256 CV 1 ASSI { 84} (( segid " " and resid 1729 and name HD2 )) (( segid " " and resid 1729 and name HB2 )) 3.000 1.100 1.100 peak 84 spectrum 1 weight 0.10000E+01 volume 0.23018E-02 ppm1 7.073 ppm2 3.234 CV 1 ASSI { 85} (( segid " " and resid 1729 and name HD2 )) (( segid " " and resid 1729 and name HB2 )) 3.400 1.400 1.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.11589E-02 ppm1 7.084 ppm2 3.201 CV 1 OR { 85} (( segid " " and resid 1729 and name HD2 )) (( segid " " and resid 1729 and name HB3 )) ASSI { 6} ( segid " " and resid 1821 and name HB% ) ( segid " " and resid 1761 and name HD1%) 3.400 1.400 1.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.45038E-03 ppm1 1.443 ppm2 0.814 CV 1 OR { 6} ( segid " " and resid 1821 and name HB% ) ( segid " " and resid 1814 and name HD2%) OR { 6} ( segid " " and resid 1820 and name HB% ) ( segid " " and resid 1814 and name HD2%) ASSI { 8} ( segid " " and resid 1821 and name HB% ) (( segid " " and resid 1696 and name HA )) 4.300 2.300 1.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.10497E-03 ppm1 1.442 ppm2 4.127 CV 1 OR { 8} ( segid " " and resid 1821 and name HB% ) (( segid " " and resid 1816 and name HA )) ASSI { 15} (( segid " " and resid 1816 and name HG3 )) (( segid " " and resid 1812 and name HA )) 2.700 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.45071E-02 ppm1 2.263 ppm2 3.969 CV 1 OR { 15} (( segid " " and resid 1798 and name HG2 )) (( segid " " and resid 1797 and name HA )) ASSI { 19} (( segid " " and resid 1815 and name HA )) (( segid " " and resid 1818 and name H )) 3.400 1.500 1.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.88717E-03 ppm1 4.581 ppm2 7.920 CV 1 OR { 19} (( segid " " and resid 1815 and name HA )) (( segid " " and resid 1817 and name H )) ASSI { 20} (( segid " " and resid 1675 and name HB3 )) (( segid " " and resid 1679 and name H )) 3.800 1.800 1.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.53164E-03 ppm1 1.388 ppm2 8.488 CV 1 OR { 20} (( segid " " and resid 1675 and name HB3 )) (( segid " " and resid 1769 and name H )) ASSI { 26} ( segid " " and resid 1810 and name HD2%) (( segid " " and resid 1811 and name H )) 3.900 1.900 1.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.11276E-02 ppm1 0.885 ppm2 8.487 CV 1 OR { 26} ( segid " " and resid 1810 and name HD2%) (( segid " " and resid 1703 and name H )) ASSI { 27} ( segid " " and resid 1807 and name HG1%) ( segid " " and resid 1706 and name HG2%) 2.800 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.83335E-02 ppm1 0.904 ppm2 0.986 CV 1 OR { 27} ( segid " " and resid 1807 and name HG1%) ( segid " " and resid 1713 and name HD1%) ASSI { 28} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1709 and name HG13)) 3.100 3.100 2.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.11683E-02 ppm1 0.909 ppm2 1.316 CV 1 OR { 28} ( segid " " and resid 1807 and name HG1%) ( segid " " and resid 1804 and name HG2%) OR { 28} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1814 and name HB2 )) ASSI { 30} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1707 and name HB2 )) 4.500 2.500 1.500 peak 30 spectrum 1 weight 0.10000E+01 volume 0.25397E-03 ppm1 0.896 ppm2 1.980 CV 1 OR { 30} ( segid " " and resid 1807 and name HG1%) ( segid " " and resid 1702 and name HE% ) OR { 30} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1702 and name HB3 )) OR { 30} ( segid " " and resid 1807 and name HG1%) (( segid " " and resid 1814 and name HB3 )) ASSI { 31} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1713 and name HG13)) 3.300 1.400 1.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.79919E-03 ppm1 1.071 ppm2 2.301 CV 1 OR { 31} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1713 and name HG12)) OR { 31} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1805 and name HG3 )) ASSI { 33} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1803 and name HG3 )) 3.400 1.500 1.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.92786E-03 ppm1 1.068 ppm2 2.747 CV 1 OR { 33} ( segid " " and resid 1807 and name HG2%) (( segid " " and resid 1809 and name HB2 )) ASSI { 34} (( segid " " and resid 1667 and name HA )) (( segid " " and resid 1670 and name HB3 )) 2.800 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 4.269 ppm2 4.089 CV 1 OR { 34} (( segid " " and resid 1678 and name HA )) (( segid " " and resid 1681 and name HA )) ASSI { 35} ( segid " " and resid 1804 and name HG2%) ( segid " " and resid 1800 and name HG2%) 2.800 2.800 3.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.28445E-02 ppm1 1.296 ppm2 0.890 CV 1 OR { 35} ( segid " " and resid 1804 and name HG2%) ( segid " " and resid 1807 and name HG1%) OR { 35} ( segid " " and resid 1804 and name HG2%) ( segid " " and resid 1768 and name HD2%) ASSI { 37} (( segid " " and resid 1768 and name HA )) (( segid " " and resid 1771 and name H )) 3.100 1.200 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.14256E-02 ppm1 4.122 ppm2 8.519 CV 1 OR { 37} (( segid " " and resid 1768 and name HA )) (( segid " " and resid 1769 and name H )) OR { 37} (( segid " " and resid 1768 and name HA )) (( segid " " and resid 1772 and name H )) ASSI { 39} (( segid " " and resid 1774 and name HA )) (( segid " " and resid 1774 and name HE22)) 4.800 2.900 1.200 peak 39 spectrum 1 weight 0.10000E+01 volume 0.32509E-03 ppm1 4.265 ppm2 6.790 CV 1 OR { 39} (( segid " " and resid 1774 and name HA )) ( segid " " and resid 1777 and name HE% ) ASSI { 40} (( segid " " and resid 1734 and name HA )) ( segid " " and resid 1716 and name HD1%) 3.500 1.600 1.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.21097E-02 ppm1 4.033 ppm2 0.887 CV 1 OR { 40} (( segid " " and resid 1734 and name HA )) ( segid " " and resid 1776 and name HD2%) OR { 40} (( segid " " and resid 1734 and name HA )) ( segid " " and resid 1768 and name HD2%) ASSI { 41} (( segid " " and resid 1774 and name HB3 )) ( segid " " and resid 1775 and name HD2%) 3.900 1.900 1.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 2.248 ppm2 0.892 CV 1 OR { 41} (( segid " " and resid 1801 and name HB2 )) ( segid " " and resid 1800 and name HG2%) OR { 41} (( segid " " and resid 1801 and name HB3 )) ( segid " " and resid 1800 and name HG2%) OR { 41} (( segid " " and resid 1774 and name HB2 )) ( segid " " and resid 1775 and name HD2%) OR { 41} (( segid " " and resid 1801 and name HB2 )) ( segid " " and resid 1775 and name HD2%) ASSI { 46} ( segid " " and resid 1749 and name HB% ) (( segid " " and resid 1750 and name HA )) 2.500 0.800 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.10399E-01 ppm1 1.583 ppm2 4.069 CV 1 OR { 46} ( segid " " and resid 1749 and name HB% ) (( segid " " and resid 1748 and name HA )) ASSI { 49} (( segid " " and resid 1795 and name HA )) (( segid " " and resid 1798 and name HB2 )) 2.500 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.73312E-02 ppm1 4.235 ppm2 2.154 CV 1 OR { 49} (( segid " " and resid 1795 and name HA )) (( segid " " and resid 1798 and name HB3 )) OR { 49} (( segid " " and resid 1799 and name HA )) (( segid " " and resid 1798 and name HB2 )) OR { 49} (( segid " " and resid 1799 and name HA )) ( segid " " and resid 1802 and name HE% ) ASSI { 50} (( segid " " and resid 1744 and name HA )) (( segid " " and resid 1740 and name HB3 )) 2.600 2.600 3.400 peak 50 spectrum 1 weight 0.10000E+01 volume 0.33592E-02 ppm1 4.221 ppm2 1.864 CV 1 OR { 50} (( segid " " and resid 1744 and name HA )) (( segid " " and resid 1761 and name HB2 )) ASSI { 51} (( segid " " and resid 1651 and name HA )) (( segid " " and resid 1659 and name HA )) 4.400 2.400 1.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.24381E-03 ppm1 4.903 ppm2 4.111 CV 1 OR { 51} (( segid " " and resid 1651 and name HA )) (( segid " " and resid 1781 and name HA )) ASSI { 55} (( segid " " and resid 1766 and name HB3 )) (( segid " " and resid 1766 and name HA )) 3.000 1.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.23129E-02 ppm1 2.182 ppm2 3.865 CV 1 OR { 55} (( segid " " and resid 1652 and name HB2 )) (( segid " " and resid 1652 and name HD2 )) ASSI { 70} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1662 and name HA )) 4.500 2.500 1.500 peak 70 spectrum 1 weight 0.10000E+01 volume 0.66371E-03 ppm1 3.397 ppm2 3.978 CV 1 OR { 70} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1776 and name HA )) ASSI { 72} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1662 and name HB2 )) 4.100 2.100 1.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.80933E-03 ppm1 0.457 ppm2 2.273 CV 1 OR { 72} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1774 and name HB2 )) ASSI { 73} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1662 and name HB3 )) 4.400 2.500 1.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.60953E-03 ppm1 0.457 ppm2 2.163 CV 1 OR { 73} ( segid " " and resid 1665 and name HD1%) (( segid " " and resid 1781 and name HB2 )) ASSI { 76} (( segid " " and resid 1668 and name HG )) (( segid " " and resid 1671 and name H )) 4.700 2.800 1.300 peak 76 spectrum 1 weight 0.10000E+01 volume 0.24720E-03 ppm1 1.294 ppm2 7.987 CV 1 OR { 76} (( segid " " and resid 1668 and name HG )) (( segid " " and resid 1667 and name H )) ASSI { 77} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1775 and name HB3 )) 5.400 3.600 0.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.14222E-03 ppm1 0.226 ppm2 2.339 CV 1 OR { 77} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1768 and name HB3 )) OR { 77} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1739 and name HG2 )) ASSI { 78} ( segid " " and resid 1668 and name HD2%) ( segid " " and resid 1735 and name HB% ) 3.500 1.500 1.500 peak 78 spectrum 1 weight 0.10000E+01 volume 0.26887E-02 ppm1 0.366 ppm2 1.435 CV 1 OR { 78} ( segid " " and resid 1668 and name HD2%) ( segid " " and resid 1664 and name HB% ) ASSI { 80} ( segid " " and resid 1668 and name HD1%) ( segid " " and resid 1773 and name HD1%) 3.400 1.400 1.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.33220E-02 ppm1 0.225 ppm2 0.901 CV 1 OR { 80} ( segid " " and resid 1668 and name HD1%) ( segid " " and resid 1672 and name HD2%) ASSI { 85} (( segid " " and resid 1676 and name HB3 )) ( segid " " and resid 1680 and name HD2%) 4.100 2.100 1.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.47747E-03 ppm1 2.740 ppm2 0.893 CV 1 OR { 85} (( segid " " and resid 1676 and name HB3 )) ( segid " " and resid 1680 and name HD1%) OR { 85} (( segid " " and resid 1676 and name HB3 )) ( segid " " and resid 1672 and name HD2%) ASSI { 89} ( segid " " and resid 1678 and name HB% ) ( segid " " and resid 1759 and name HE% ) 5.400 3.700 0.600 peak 89 spectrum 1 weight 0.10000E+01 volume 0.19979E-03 ppm1 1.601 ppm2 2.000 CV 1 OR { 89} ( segid " " and resid 1678 and name HB% ) ( segid " " and resid 1702 and name HE% ) ASSI { 93} (( segid " " and resid 1758 and name HG3 )) ( segid " " and resid 1682 and name HB% ) 3.300 1.300 1.300 peak 93 spectrum 1 weight 0.10000E+01 volume 0.17981E-02 ppm1 2.141 ppm2 1.567 CV 1 OR { 93} (( segid " " and resid 1758 and name HG3 )) ( segid " " and resid 1749 and name HB% ) ASSI { 96} (( segid " " and resid 1686 and name HB2 )) ( segid " " and resid 1680 and name HD2%) 5.300 3.500 0.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.71114E-04 ppm1 1.695 ppm2 0.912 CV 1 OR { 96} (( segid " " and resid 1690 and name HB3 )) ( segid " " and resid 1743 and name HD1%) OR { 96} (( segid " " and resid 1690 and name HB2 )) ( segid " " and resid 1743 and name HD1%) OR { 96} (( segid " " and resid 1690 and name HB3 )) ( segid " " and resid 1743 and name HD2%) OR { 96} (( segid " " and resid 1690 and name HB2 )) ( segid " " and resid 1743 and name HD2%) ASSI { 104} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1748 and name HA )) 2.600 0.800 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.51167E-02 ppm1 0.622 ppm2 4.054 CV 1 OR { 104} ( segid " " and resid 1698 and name HD1%) (( segid " " and resid 1698 and name HA )) ASSI { 105} (( segid " " and resid 1673 and name HA )) (( segid " " and resid 1674 and name HA )) 3.900 1.900 1.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.90078E-03 ppm1 4.213 ppm2 4.499 CV 1 OR { 105} (( segid " " and resid 1673 and name HA )) (( segid " " and resid 1676 and name HA )) ASSI { 109} (( segid " " and resid 1811 and name HB )) ( segid " " and resid 1706 and name HG1%) 3.900 1.900 1.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.83641E-03 ppm1 4.329 ppm2 0.902 CV 1 OR { 109} (( segid " " and resid 1811 and name HB )) ( segid " " and resid 1807 and name HG1%) OR { 109} (( segid " " and resid 1811 and name HB )) ( segid " " and resid 1703 and name HD2%) ASSI { 112} ( segid " " and resid 1705 and name HB% ) (( segid " " and resid 1709 and name HG13)) 2.800 1.000 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.44868E-02 ppm1 1.559 ppm2 1.315 CV 1 OR { 112} ( segid " " and resid 1744 and name HB% ) ( segid " " and resid 1742 and name HG2%) ASSI { 114} ( segid " " and resid 1706 and name HG2%) (( segid " " and resid 1741 and name HA )) 3.500 1.600 1.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.24551E-02 ppm1 0.982 ppm2 3.955 CV 1 OR { 114} ( segid " " and resid 1706 and name HG2%) (( segid " " and resid 1705 and name HA )) ASSI { 115} ( segid " " and resid 1706 and name HG2%) ( segid " " and resid 1702 and name HE% ) 3.200 1.300 1.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.40771E-02 ppm1 0.985 ppm2 2.020 CV 1 OR { 115} ( segid " " and resid 1706 and name HG2%) (( segid " " and resid 1741 and name HB2 )) ASSI { 117} (( segid " " and resid 1658 and name HG3 )) (( segid " " and resid 1654 and name HB )) 2.600 2.600 3.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.31323E-02 ppm1 2.460 ppm2 4.172 CV 1 OR { 117} (( segid " " and resid 1658 and name HG3 )) (( segid " " and resid 1721 and name HA )) ASSI { 118} (( segid " " and resid 1733 and name HG3 )) (( segid " " and resid 1730 and name HA )) 3.300 1.400 1.400 peak 118 spectrum 1 weight 0.10000E+01 volume 0.14121E-02 ppm1 2.236 ppm2 4.152 CV 1 OR { 118} (( segid " " and resid 1733 and name HG3 )) (( segid " " and resid 1732 and name HA )) ASSI { 120} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1738 and name H )) 4.100 2.100 1.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.45038E-03 ppm1 0.257 ppm2 7.633 CV 1 OR { 120} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1711 and name H )) ASSI { 122} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1734 and name HA )) 4.900 3.000 1.100 peak 122 spectrum 1 weight 0.10000E+01 volume 0.39619E-03 ppm1 0.260 ppm2 4.060 CV 1 OR { 122} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1710 and name HA )) OR { 122} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1710 and name HB3 )) ASSI { 123} (( segid " " and resid 1732 and name HB2 )) (( segid " " and resid 1733 and name HG3 )) 3.600 1.600 1.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.12800E-02 ppm1 3.998 ppm2 2.262 CV 1 OR { 123} (( segid " " and resid 1710 and name HB2 )) (( segid " " and resid 1713 and name HG13)) OR { 123} (( segid " " and resid 1710 and name HB2 )) (( segid " " and resid 1713 and name HG12)) ASSI { 125} (( segid " " and resid 1711 and name HB2 )) ( segid " " and resid 1712 and name HD2%) 4.800 2.900 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.36910E-03 ppm1 3.374 ppm2 0.995 CV 1 OR { 125} (( segid " " and resid 1711 and name HB2 )) ( segid " " and resid 1712 and name HD1%) OR { 125} (( segid " " and resid 1711 and name HB2 )) ( segid " " and resid 1713 and name HD1%) ASSI { 126} (( segid " " and resid 1711 and name HB3 )) ( segid " " and resid 1712 and name HD2%) 4.300 2.300 1.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.48085E-03 ppm1 3.268 ppm2 1.008 CV 1 OR { 126} (( segid " " and resid 1711 and name HB3 )) ( segid " " and resid 1712 and name HD1%) OR { 126} (( segid " " and resid 1711 and name HB3 )) ( segid " " and resid 1713 and name HD1%) ASSI { 127} (( segid " " and resid 1711 and name HA )) ( segid " " and resid 1713 and name HD1%) 4.000 2.000 2.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 4.641 ppm2 1.009 CV 1 OR { 127} (( segid " " and resid 1711 and name HA )) ( segid " " and resid 1713 and name HG2%) OR { 127} (( segid " " and resid 1711 and name HA )) ( segid " " and resid 1712 and name HD2%) OR { 127} (( segid " " and resid 1711 and name HA )) ( segid " " and resid 1712 and name HD1%) ASSI { 132} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1807 and name HB )) 3.500 1.600 1.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.13003E-02 ppm1 1.016 ppm2 2.391 CV 1 OR { 132} ( segid " " and resid 1713 and name HD1%) (( segid " " and resid 1768 and name HB3 )) ASSI { 135} (( segid " " and resid 1715 and name HA )) ( segid " " and resid 1712 and name HD1%) 4.800 2.900 1.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.29461E-03 ppm1 4.322 ppm2 0.995 CV 1 OR { 135} (( segid " " and resid 1715 and name HA )) ( segid " " and resid 1713 and name HG2%) OR { 135} (( segid " " and resid 1715 and name HA )) ( segid " " and resid 1712 and name HD2%) ASSI { 136} (( segid " " and resid 1715 and name HD3 )) ( segid " " and resid 1713 and name HG2%) 4.900 3.000 1.100 peak 136 spectrum 1 weight 0.10000E+01 volume 0.49778E-03 ppm1 3.751 ppm2 0.998 CV 1 OR { 136} (( segid " " and resid 1715 and name HD3 )) ( segid " " and resid 1712 and name HD1%) OR { 136} (( segid " " and resid 1715 and name HD3 )) ( segid " " and resid 1712 and name HD2%) ASSI { 139} (( segid " " and resid 1665 and name HG12)) (( segid " " and resid 1777 and name H )) 4.700 2.800 1.300 peak 139 spectrum 1 weight 0.10000E+01 volume 0.29799E-03 ppm1 1.684 ppm2 8.904 CV 1 OR { 139} (( segid " " and resid 1715 and name HB3 )) (( segid " " and resid 1718 and name H )) OR { 139} (( segid " " and resid 1715 and name HB3 )) (( segid " " and resid 1714 and name H )) ASSI { 141} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1775 and name HB3 )) 5.000 3.100 1.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.38603E-03 ppm1 0.895 ppm2 2.355 CV 1 OR { 141} ( segid " " and resid 1716 and name HD1%) (( segid " " and resid 1715 and name HG2 )) ASSI { 144} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1719 and name H )) 4.200 2.200 1.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.61292E-03 ppm1 0.705 ppm2 7.940 CV 1 OR { 144} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1730 and name H )) ASSI { 145} (( segid " " and resid 1717 and name HA )) (( segid " " and resid 1714 and name HA )) 4.200 2.200 1.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.67725E-03 ppm1 3.828 ppm2 4.333 CV 1 OR { 145} (( segid " " and resid 1717 and name HA )) (( segid " " and resid 1715 and name HA )) ASSI { 154} ( segid " " and resid 1727 and name HD1%) (( segid " " and resid 1783 and name HA2 )) 4.800 2.900 1.200 peak 154 spectrum 1 weight 0.10000E+01 volume 0.22011E-03 ppm1 0.819 ppm2 3.665 CV 1 OR { 154} ( segid " " and resid 1727 and name HD1%) (( segid " " and resid 1731 and name HA )) OR { 154} ( segid " " and resid 1727 and name HD1%) (( segid " " and resid 1657 and name HA2 )) ASSI { 163} (( segid " " and resid 1739 and name HA )) (( segid " " and resid 1742 and name H )) 3.100 1.200 1.200 peak 163 spectrum 1 weight 0.10000E+01 volume 0.18794E-02 ppm1 4.424 ppm2 8.181 CV 1 OR { 163} (( segid " " and resid 1739 and name HA )) (( segid " " and resid 1743 and name H )) ASSI { 167} (( segid " " and resid 1739 and name HA )) ( segid " " and resid 1742 and name HG2%) 3.600 1.600 1.600 peak 167 spectrum 1 weight 0.10000E+01 volume 0.10159E-02 ppm1 4.424 ppm2 1.312 CV 1 OR { 167} (( segid " " and resid 1739 and name HA )) ( segid " " and resid 1769 and name HB% ) ASSI { 169} ( segid " " and resid 1745 and name HB% ) ( segid " " and resid 1675 and name HD2%) 2.600 0.800 0.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.58176E-02 ppm1 1.557 ppm2 0.973 CV 1 OR { 169} ( segid " " and resid 1745 and name HB% ) ( segid " " and resid 1741 and name HD2%) OR { 169} ( segid " " and resid 1745 and name HB% ) ( segid " " and resid 1746 and name HG2%) ASSI { 174} (( segid " " and resid 1746 and name HA )) (( segid " " and resid 1743 and name HA )) 4.200 2.200 1.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.54519E-03 ppm1 3.489 ppm2 4.067 CV 1 OR { 174} (( segid " " and resid 1746 and name HA )) (( segid " " and resid 1748 and name HA )) ASSI { 180} (( segid " " and resid 1748 and name HA )) (( segid " " and resid 1751 and name HG2 )) 2.700 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.69624E-02 ppm1 4.067 ppm2 1.585 CV 1 OR { 180} (( segid " " and resid 1748 and name HA )) (( segid " " and resid 1751 and name HD2 )) OR { 180} (( segid " " and resid 1748 and name HA )) ( segid " " and resid 1749 and name HB% ) ASSI { 182} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1702 and name HA )) 2.900 2.900 3.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.18286E-02 ppm1 0.828 ppm2 3.863 CV 1 OR { 182} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1703 and name HA )) OR { 182} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1813 and name HA )) ASSI { 190} (( segid " " and resid 1752 and name HA )) (( segid " " and resid 1753 and name HB2 )) 3.900 1.900 1.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.13071E-02 ppm1 4.317 ppm2 1.739 CV 1 OR { 190} (( segid " " and resid 1771 and name HA )) (( segid " " and resid 1773 and name HB3 )) ASSI { 195} (( segid " " and resid 1812 and name HB )) (( segid " " and resid 1814 and name H )) 4.700 2.700 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.45715E-03 ppm1 4.495 ppm2 8.489 CV 1 OR { 195} (( segid " " and resid 1812 and name HB )) (( segid " " and resid 1811 and name H )) ASSI { 200} ( segid " " and resid 1768 and name HD2%) ( segid " " and resid 1706 and name HG2%) 2.300 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.11317E-01 ppm1 0.909 ppm2 0.983 CV 1 OR { 200} ( segid " " and resid 1768 and name HD2%) ( segid " " and resid 1741 and name HD2%) ASSI { 204} (( segid " " and resid 1741 and name HA )) ( segid " " and resid 1744 and name HB% ) 2.300 0.700 0.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.99046E-02 ppm1 3.974 ppm2 1.564 CV 1 OR { 204} (( segid " " and resid 1741 and name HA )) ( segid " " and resid 1705 and name HB% ) ASSI { 206} (( segid " " and resid 1738 and name HA )) (( segid " " and resid 1739 and name HA )) 4.300 2.300 1.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.41312E-03 ppm1 4.262 ppm2 4.448 CV 1 OR { 206} (( segid " " and resid 1738 and name HA )) (( segid " " and resid 1742 and name HB )) ASSI { 207} (( segid " " and resid 1672 and name HA )) (( segid " " and resid 1669 and name HA )) 3.900 1.900 1.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.10192E-02 ppm1 3.939 ppm2 4.498 CV 1 OR { 207} (( segid " " and resid 1733 and name HA )) (( segid " " and resid 1729 and name HA )) OR { 207} (( segid " " and resid 1672 and name HA )) (( segid " " and resid 1676 and name HA )) OR { 207} (( segid " " and resid 1672 and name HA )) (( segid " " and resid 1674 and name HA )) ASSI { 210} (( segid " " and resid 1771 and name HB2 )) (( segid " " and resid 1803 and name HB3 )) 4.100 2.100 1.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 4.091 ppm2 2.080 CV 1 OR { 210} (( segid " " and resid 1771 and name HB2 )) ( segid " " and resid 1803 and name HE% ) OR { 210} (( segid " " and resid 1771 and name HB2 )) (( segid " " and resid 1770 and name HB3 )) ASSI { 215} (( segid " " and resid 1712 and name HB3 )) ( segid " " and resid 1734 and name HE% ) 4.100 2.200 1.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.19843E-02 ppm1 1.659 ppm2 2.022 CV 1 OR { 215} (( segid " " and resid 1712 and name HB3 )) (( segid " " and resid 1716 and name HB3 )) ASSI { 216} ( segid " " and resid 1712 and name HD1%) (( segid " " and resid 1730 and name HB2 )) 2.700 0.900 0.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.56280E-02 ppm1 1.004 ppm2 2.061 CV 1 OR { 216} ( segid " " and resid 1712 and name HD1%) ( segid " " and resid 1803 and name HE% ) OR { 216} ( segid " " and resid 1712 and name HD1%) (( segid " " and resid 1733 and name HB3 )) ASSI { 218} (( segid " " and resid 1786 and name HA )) (( segid " " and resid 1721 and name HB2 )) 4.300 2.300 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.53503E-03 ppm1 4.586 ppm2 1.822 CV 1 OR { 218} (( segid " " and resid 1786 and name HA )) (( segid " " and resid 1787 and name HB3 )) OR { 218} (( segid " " and resid 1786 and name HA )) (( segid " " and resid 1721 and name HB3 )) ASSI { 222} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1672 and name HA )) 4.200 2.200 1.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.70433E-03 ppm1 4.523 ppm2 3.950 CV 1 OR { 222} (( segid " " and resid 1669 and name HA )) (( segid " " and resid 1770 and name HA )) ASSI { 234} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1770 and name HA )) 3.800 1.800 1.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 3.736 ppm2 3.949 CV 1 OR { 234} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1776 and name HA )) ASSI { 237} ( segid " " and resid 1773 and name HD1%) ( segid " " and resid 1803 and name HE% ) 4.000 2.000 2.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.11513E-02 ppm1 0.918 ppm2 2.061 CV 1 OR { 237} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1770 and name HB3 )) OR { 237} ( segid " " and resid 1773 and name HD1%) (( segid " " and resid 1780 and name HB2 )) ASSI { 243} ( segid " " and resid 1761 and name HD2%) (( segid " " and resid 1757 and name HB3 )) 4.400 2.500 1.600 peak 243 spectrum 1 weight 0.10000E+01 volume 0.29799E-03 ppm1 0.847 ppm2 2.099 CV 1 OR { 243} ( segid " " and resid 1761 and name HD2%) (( segid " " and resid 1757 and name HB2 )) OR { 243} ( segid " " and resid 1761 and name HD2%) (( segid " " and resid 1764 and name HB2 )) OR { 243} ( segid " " and resid 1761 and name HD2%) (( segid " " and resid 1759 and name HG3 )) ASSI { 247} ( segid " " and resid 1762 and name HD1%) ( segid " " and resid 1675 and name HD2%) 2.200 0.600 0.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.90650E-02 ppm1 0.756 ppm2 0.962 CV 1 OR { 247} ( segid " " and resid 1762 and name HD1%) ( segid " " and resid 1746 and name HG2%) ASSI { 249} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1764 and name HB3 )) 4.900 3.000 1.100 peak 249 spectrum 1 weight 0.10000E+01 volume 0.28783E-03 ppm1 1.127 ppm2 2.268 CV 1 OR { 249} ( segid " " and resid 1765 and name HG2%) (( segid " " and resid 1770 and name HB2 )) ASSI { 254} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1706 and name HA )) 5.700 4.000 0.300 peak 254 spectrum 1 weight 0.10000E+01 volume 0.13206E-03 ppm1 1.060 ppm2 3.316 CV 1 OR { 254} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1713 and name HA )) ASSI { 256} (( segid " " and resid 1814 and name HG )) (( segid " " and resid 1814 and name HB3 )) 2.900 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.37351E-02 ppm1 1.762 ppm2 1.938 CV 1 OR { 256} (( segid " " and resid 1814 and name HG )) (( segid " " and resid 1702 and name HB3 )) ASSI { 257} (( segid " " and resid 1768 and name HA )) ( segid " " and resid 1672 and name HD1%) 4.700 2.700 1.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.38265E-03 ppm1 4.121 ppm2 0.983 CV 1 OR { 257} (( segid " " and resid 1768 and name HA )) ( segid " " and resid 1810 and name HD1%) OR { 257} (( segid " " and resid 1768 and name HA )) ( segid " " and resid 1706 and name HG2%) OR { 257} (( segid " " and resid 1768 and name HA )) ( segid " " and resid 1713 and name HG2%) ASSI { 260} ( segid " " and resid 1772 and name HB% ) ( segid " " and resid 1806 and name HB% ) 3.600 1.600 1.600 peak 260 spectrum 1 weight 0.10000E+01 volume 0.23433E-02 ppm1 1.271 ppm2 1.581 CV 1 OR { 260} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1773 and name HG )) ASSI { 261} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1770 and name HA )) 4.100 2.100 1.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.75176E-03 ppm1 1.275 ppm2 3.979 CV 1 OR { 261} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1775 and name HA )) ASSI { 263} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1671 and name H )) 5.400 3.600 0.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.64339E-04 ppm1 1.273 ppm2 7.971 CV 1 OR { 263} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1806 and name H )) OR { 263} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1734 and name H )) ASSI { 265} (( segid " " and resid 1774 and name HG2 )) ( segid " " and resid 1802 and name HE% ) 3.700 1.700 1.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.67387E-03 ppm1 2.582 ppm2 2.125 CV 1 OR { 265} (( segid " " and resid 1774 and name HG2 )) (( segid " " and resid 1798 and name HB2 )) OR { 265} (( segid " " and resid 1774 and name HG2 )) (( segid " " and resid 1798 and name HB3 )) ASSI { 266} ( segid " " and resid 1775 and name HD2%) (( segid " " and resid 1775 and name HA )) 2.000 0.500 0.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.17030E-01 ppm1 0.877 ppm2 3.971 CV 1 OR { 266} ( segid " " and resid 1776 and name HD2%) (( segid " " and resid 1776 and name HA )) ASSI { 267} ( segid " " and resid 1775 and name HD2%) (( segid " " and resid 1775 and name HB3 )) 2.900 1.000 1.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.47476E-02 ppm1 0.877 ppm2 2.315 CV 1 OR { 267} ( segid " " and resid 1776 and name HD2%) (( segid " " and resid 1775 and name HB3 )) ASSI { 268} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1712 and name HG )) 4.300 2.300 1.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.44022E-03 ppm1 1.034 ppm2 1.826 CV 1 OR { 268} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1668 and name HB3 )) OR { 268} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1709 and name HB )) OR { 268} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1665 and name HB )) ASSI { 269} (( segid " " and resid 1776 and name HB3 )) (( segid " " and resid 1778 and name H )) 5.200 3.400 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.28783E-03 ppm1 1.183 ppm2 8.123 CV 1 OR { 269} (( segid " " and resid 1776 and name HB3 )) (( segid " " and resid 1775 and name H )) ASSI { 274} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1800 and name H )) 5.800 4.100 0.200 peak 274 spectrum 1 weight 0.10000E+01 volume 0.98203E-04 ppm1 1.272 ppm2 8.572 CV 1 OR { 274} ( segid " " and resid 1778 and name HG2%) (( segid " " and resid 1783 and name H )) ASSI { 281} (( segid " " and resid 1781 and name HB3 )) (( segid " " and resid 1792 and name HB )) 3.000 1.100 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.30239E-02 ppm1 2.161 ppm2 4.233 CV 1 OR { 281} (( segid " " and resid 1781 and name HB2 )) (( segid " " and resid 1792 and name HB )) OR { 281} (( segid " " and resid 1798 and name HB3 )) (( segid " " and resid 1795 and name HA )) ASSI { 285} (( segid " " and resid 1782 and name HA )) (( segid " " and resid 1781 and name HG3 )) 4.000 2.000 2.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.75176E-03 ppm1 4.034 ppm2 2.319 CV 1 OR { 285} (( segid " " and resid 1782 and name HA )) (( segid " " and resid 1781 and name HG2 )) OR { 285} (( segid " " and resid 1782 and name HA )) (( segid " " and resid 1788 and name HB2 )) ASSI { 308} (( segid " " and resid 1802 and name HG2 )) (( segid " " and resid 1771 and name HB2 )) 4.200 2.200 1.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.41312E-03 ppm1 2.795 ppm2 4.095 CV 1 OR { 308} (( segid " " and resid 1802 and name HG2 )) (( segid " " and resid 1801 and name HA )) ASSI { 312} (( segid " " and resid 1811 and name HB )) (( segid " " and resid 1814 and name HG )) 5.100 3.200 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.31831E-03 ppm1 4.341 ppm2 1.781 CV 1 OR { 312} (( segid " " and resid 1811 and name HB )) (( segid " " and resid 1703 and name HB3 )) ASSI { 314} ( segid " " and resid 1811 and name HG2%) (( segid " " and resid 1703 and name HB3 )) 5.700 4.000 0.300 peak 314 spectrum 1 weight 0.10000E+01 volume 0.24720E-03 ppm1 1.168 ppm2 1.772 CV 1 OR { 314} ( segid " " and resid 1811 and name HG2%) (( segid " " and resid 1814 and name HG )) ASSI { 322} (( segid " " and resid 1770 and name HG2 )) (( segid " " and resid 1769 and name H )) 4.700 2.800 1.300 peak 322 spectrum 1 weight 0.10000E+01 volume 0.59937E-03 ppm1 2.558 ppm2 8.513 CV 1 OR { 322} (( segid " " and resid 1770 and name HG2 )) (( segid " " and resid 1772 and name H )) ASSI { 323} (( segid " " and resid 1770 and name HG2 )) ( segid " " and resid 1769 and name HB% ) 3.800 1.800 1.800 peak 323 spectrum 1 weight 0.10000E+01 volume 0.13646E-02 ppm1 2.552 ppm2 1.351 CV 1 OR { 323} (( segid " " and resid 1770 and name HG2 )) (( segid " " and resid 1766 and name HG2 )) ASSI { 328} (( segid " " and resid 1734 and name HG3 )) (( segid " " and resid 1712 and name HG )) 4.600 2.700 1.400 peak 328 spectrum 1 weight 0.10000E+01 volume 0.41312E-03 ppm1 2.512 ppm2 1.774 CV 1 OR { 328} (( segid " " and resid 1734 and name HG2 )) (( segid " " and resid 1768 and name HG )) OR { 328} (( segid " " and resid 1734 and name HG3 )) (( segid " " and resid 1768 and name HG )) ASSI { 329} (( segid " " and resid 1742 and name HA )) (( segid " " and resid 1742 and name H )) 2.900 1.100 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.19572E-02 ppm1 3.701 ppm2 8.180 CV 1 OR { 329} (( segid " " and resid 1742 and name HA )) (( segid " " and resid 1743 and name H )) ASSI { 332} (( segid " " and resid 1742 and name HB )) (( segid " " and resid 1739 and name HG3 )) 4.400 2.400 1.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.22349E-03 ppm1 4.474 ppm2 2.201 CV 1 OR { 332} (( segid " " and resid 1742 and name HB )) (( segid " " and resid 1739 and name HB2 )) OR { 332} (( segid " " and resid 1742 and name HB )) (( segid " " and resid 1766 and name HB3 )) ASSI { 339} (( segid " " and resid 1734 and name HB3 )) (( segid " " and resid 1712 and name H )) 3.600 3.600 2.400 peak 339 spectrum 1 weight 0.10000E+01 volume 0.57228E-03 ppm1 2.120 ppm2 7.705 CV 1 OR { 339} (( segid " " and resid 1695 and name HG3 )) (( segid " " and resid 1754 and name H )) ASSI { 343} ( segid " " and resid 1659 and name HD1%) (( segid " " and resid 1659 and name HA )) 2.300 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.10819E-01 ppm1 0.911 ppm2 4.109 CV 1 OR { 343} ( segid " " and resid 1743 and name HD2%) (( segid " " and resid 1743 and name HA )) ASSI { 345} (( segid " " and resid 1659 and name HG )) (( segid " " and resid 1663 and name HB )) 3.600 1.600 1.600 peak 345 spectrum 1 weight 0.10000E+01 volume 0.14527E-02 ppm1 1.598 ppm2 4.216 CV 1 OR { 345} (( segid " " and resid 1810 and name HG )) (( segid " " and resid 1765 and name HB )) OR { 345} (( segid " " and resid 1810 and name HG )) (( segid " " and resid 1764 and name HA )) ASSI { 351} (( segid " " and resid 1788 and name HB2 )) ( segid " " and resid 1654 and name HG2%) 3.200 1.300 1.300 peak 351 spectrum 1 weight 0.10000E+01 volume 0.78565E-03 ppm1 2.298 ppm2 1.211 CV 1 OR { 351} (( segid " " and resid 1788 and name HB2 )) ( segid " " and resid 1792 and name HG2%) ASSI { 355} (( segid " " and resid 1821 and name HA )) ( segid " " and resid 1821 and name HB% ) 2.200 0.600 0.600 peak 355 spectrum 1 weight 0.10000E+01 volume 0.13613E-01 ppm1 4.376 ppm2 1.453 CV 1 OR { 355} (( segid " " and resid 1820 and name HA )) ( segid " " and resid 1820 and name HB% ) ASSI { 363} (( segid " " and resid 1732 and name HB3 )) (( segid " " and resid 1732 and name H )) 2.600 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.47509E-02 ppm1 3.932 ppm2 7.995 CV 1 OR { 363} (( segid " " and resid 1732 and name HB3 )) (( segid " " and resid 1733 and name H )) ASSI { 365} (( segid " " and resid 1679 and name HB3 )) (( segid " " and resid 1679 and name H )) 2.400 0.700 0.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.58074E-02 ppm1 3.999 ppm2 8.473 CV 1 OR { 365} (( segid " " and resid 1710 and name HB2 )) (( segid " " and resid 1710 and name H )) ASSI { 379} (( segid " " and resid 1729 and name HA )) (( segid " " and resid 1732 and name H )) 3.100 1.200 1.200 peak 379 spectrum 1 weight 0.10000E+01 volume 0.18557E-02 ppm1 4.478 ppm2 7.992 CV 1 OR { 379} (( segid " " and resid 1729 and name HA )) (( segid " " and resid 1733 and name H )) ASSI { 413} (( segid " " and resid 1710 and name HB2 )) (( segid " " and resid 1709 and name HB )) 4.100 2.100 1.900 peak 413 spectrum 1 weight 0.10000E+01 volume 0.80593E-03 ppm1 3.996 ppm2 1.810 CV 1 OR { 413} (( segid " " and resid 1679 and name HB3 )) (( segid " " and resid 1762 and name HG )) ASSI { 430} ( segid " " and resid 1779 and name HB% ) (( segid " " and resid 1779 and name HA )) 2.000 0.500 0.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.17162E-01 ppm1 1.348 ppm2 3.951 CV 1 OR { 430} ( segid " " and resid 1779 and name HB% ) (( segid " " and resid 1776 and name HA )) ASSI { 451} ( segid " " and resid 1772 and name HB% ) ( segid " " and resid 1709 and name HG2%) 3.500 1.500 1.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.32204E-02 ppm1 1.281 ppm2 0.804 CV 1 OR { 451} ( segid " " and resid 1772 and name HB% ) ( segid " " and resid 1776 and name HD1%) ASSI { 452} ( segid " " and resid 1779 and name HB% ) ( segid " " and resid 1727 and name HD1%) 2.300 0.700 0.700 peak 452 spectrum 1 weight 0.10000E+01 volume 0.10406E-01 ppm1 1.350 ppm2 0.816 CV 1 OR { 452} ( segid " " and resid 1779 and name HB% ) ( segid " " and resid 1796 and name HD1%) ASSI { 462} ( segid " " and resid 1769 and name HB% ) (( segid " " and resid 1766 and name HA )) 2.000 0.500 0.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.15536E-01 ppm1 1.332 ppm2 3.848 CV 1 OR { 462} ( segid " " and resid 1769 and name HB% ) (( segid " " and resid 1769 and name HA )) ASSI { 473} (( segid " " and resid 1682 and name HA )) (( segid " " and resid 1685 and name H )) 2.800 1.000 1.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.33626E-02 ppm1 4.160 ppm2 7.998 CV 1 OR { 473} (( segid " " and resid 1682 and name HA )) (( segid " " and resid 1687 and name H )) ASSI { 484} (( segid " " and resid 1781 and name HA )) (( segid " " and resid 1781 and name HG2 )) 2.600 0.900 0.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.45782E-02 ppm1 4.081 ppm2 2.346 CV 1 OR { 484} (( segid " " and resid 1698 and name HA )) (( segid " " and resid 1701 and name HB2 )) ASSI { 493} (( segid " " and resid 1797 and name HG2 )) (( segid " " and resid 1797 and name HB3 )) 2.200 0.600 0.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.15851E-01 ppm1 2.442 ppm2 2.146 CV 1 OR { 493} (( segid " " and resid 1808 and name HG2 )) (( segid " " and resid 1808 and name HB2 )) OR { 493} (( segid " " and resid 1662 and name HG2 )) (( segid " " and resid 1662 and name HB3 )) OR { 493} (( segid " " and resid 1798 and name HG3 )) (( segid " " and resid 1798 and name HB3 )) OR { 493} (( segid " " and resid 1808 and name HG3 )) (( segid " " and resid 1808 and name HB3 )) OR { 493} (( segid " " and resid 1808 and name HG2 )) (( segid " " and resid 1808 and name HB3 )) OR { 493} (( segid " " and resid 1808 and name HG3 )) (( segid " " and resid 1808 and name HB2 )) ASSI { 496} (( segid " " and resid 1798 and name HG2 )) (( segid " " and resid 1798 and name HB2 )) 1.900 0.400 0.400 peak 496 spectrum 1 weight 0.10000E+01 volume 0.35830E-01 ppm1 2.279 ppm2 2.126 CV 1 OR { 496} (( segid " " and resid 1805 and name HG3 )) (( segid " " and resid 1805 and name HB2 )) OR { 496} (( segid " " and resid 1816 and name HG3 )) (( segid " " and resid 1816 and name HB3 )) OR { 496} (( segid " " and resid 1816 and name HG3 )) (( segid " " and resid 1816 and name HB2 )) ASSI { 497} (( segid " " and resid 1805 and name HB2 )) (( segid " " and resid 1805 and name HG3 )) 1.900 0.500 0.500 peak 497 spectrum 1 weight 0.10000E+01 volume 0.24896E-01 ppm1 2.130 ppm2 2.275 CV 1 OR { 497} (( segid " " and resid 1816 and name HB3 )) (( segid " " and resid 1816 and name HG3 )) OR { 497} (( segid " " and resid 1816 and name HB2 )) (( segid " " and resid 1816 and name HG3 )) OR { 497} (( segid " " and resid 1805 and name HB3 )) (( segid " " and resid 1805 and name HG3 )) ASSI { 499} (( segid " " and resid 1816 and name HB2 )) (( segid " " and resid 1816 and name HG2 )) 2.400 0.700 0.700 peak 499 spectrum 1 weight 0.10000E+01 volume 0.90309E-02 ppm1 2.128 ppm2 2.451 CV 1 OR { 499} (( segid " " and resid 1662 and name HB3 )) (( segid " " and resid 1662 and name HG2 )) OR { 499} (( segid " " and resid 1662 and name HB3 )) (( segid " " and resid 1662 and name HG3 )) OR { 499} (( segid " " and resid 1816 and name HB3 )) (( segid " " and resid 1816 and name HG2 )) ASSI { 505} (( segid " " and resid 1662 and name HG3 )) (( segid " " and resid 1662 and name HA )) 2.600 0.900 0.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.44022E-02 ppm1 2.454 ppm2 3.973 CV 1 OR { 505} (( segid " " and resid 1662 and name HG2 )) (( segid " " and resid 1662 and name HA )) OR { 505} (( segid " " and resid 1797 and name HG2 )) (( segid " " and resid 1797 and name HA )) ASSI { 508} (( segid " " and resid 1723 and name HG2 )) (( segid " " and resid 1719 and name HA )) 2.900 1.100 1.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.29359E-02 ppm1 2.256 ppm2 4.234 CV 1 OR { 508} (( segid " " and resid 1798 and name HG2 )) (( segid " " and resid 1795 and name HA )) OR { 508} (( segid " " and resid 1723 and name HG3 )) (( segid " " and resid 1719 and name HA )) ASSI { 514} (( segid " " and resid 1696 and name HB2 )) (( segid " " and resid 1697 and name H )) 2.600 0.900 0.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.71046E-02 ppm1 2.109 ppm2 7.954 CV 1 OR { 514} (( segid " " and resid 1805 and name HB2 )) (( segid " " and resid 1806 and name H )) ASSI { 554} ( segid " " and resid 1814 and name HD1%) (( segid " " and resid 1703 and name H )) 2.800 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.43141E-02 ppm1 0.752 ppm2 8.477 CV 1 OR { 554} ( segid " " and resid 1814 and name HD1%) (( segid " " and resid 1814 and name H )) ASSI { 555} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1814 and name H )) 3.300 1.400 1.400 peak 555 spectrum 1 weight 0.10000E+01 volume 0.32948E-02 ppm1 0.828 ppm2 8.477 CV 1 OR { 555} ( segid " " and resid 1814 and name HD2%) (( segid " " and resid 1703 and name H )) ASSI { 586} (( segid " " and resid 1762 and name HB3 )) (( segid " " and resid 1762 and name HB2 )) 1.900 0.400 0.400 peak 586 spectrum 1 weight 0.10000E+01 volume 0.69352E-02 ppm1 1.391 ppm2 2.049 CV 1 OR { 586} (( segid " " and resid 1675 and name HB3 )) (( segid " " and resid 1675 and name HB2 )) ASSI { 588} ( segid " " and resid 1814 and name HD1%) (( segid " " and resid 1702 and name HB3 )) 2.000 0.500 0.500 peak 588 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 0.751 ppm2 1.971 CV 1 OR { 588} ( segid " " and resid 1814 and name HD1%) (( segid " " and resid 1814 and name HB3 )) ASSI { 601} ( segid " " and resid 1814 and name HD1%) ( segid " " and resid 1706 and name HG2%) 2.700 0.900 0.900 peak 601 spectrum 1 weight 0.10000E+01 volume 0.43378E-02 ppm1 0.751 ppm2 0.984 CV 1 OR { 601} ( segid " " and resid 1814 and name HD1%) ( segid " " and resid 1810 and name HD1%) OR { 601} ( segid " " and resid 1814 and name HD1%) ( segid " " and resid 1741 and name HD2%) ASSI { 607} (( segid " " and resid 1814 and name HB3 )) ( segid " " and resid 1814 and name HD2%) 2.700 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.33592E-02 ppm1 1.964 ppm2 0.824 CV 1 OR { 607} (( segid " " and resid 1727 and name HB3 )) ( segid " " and resid 1727 and name HD1%) ASSI { 608} (( segid " " and resid 1727 and name HB3 )) ( segid " " and resid 1727 and name HD2%) 2.400 0.700 0.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.46527E-02 ppm1 1.968 ppm2 0.757 CV 1 OR { 608} (( segid " " and resid 1814 and name HB3 )) ( segid " " and resid 1814 and name HD1%) ASSI { 618} (( segid " " and resid 1810 and name HB3 )) ( segid " " and resid 1706 and name HG2%) 3.100 1.200 1.200 peak 618 spectrum 1 weight 0.10000E+01 volume 0.22349E-02 ppm1 1.814 ppm2 0.973 CV 1 OR { 618} (( segid " " and resid 1810 and name HB3 )) ( segid " " and resid 1810 and name HD1%) ASSI { 636} ( segid " " and resid 1675 and name HD2%) (( segid " " and resid 1675 and name HG )) 2.200 0.600 0.600 peak 636 spectrum 1 weight 0.10000E+01 volume 0.99897E-02 ppm1 0.953 ppm2 1.951 CV 1 OR { 636} ( segid " " and resid 1698 and name HD2%) (( segid " " and resid 1698 and name HB2 )) ASSI { 647} ( segid " " and resid 1810 and name HD1%) (( segid " " and resid 1810 and name HA )) 1.900 0.500 0.500 peak 647 spectrum 1 weight 0.10000E+01 volume 0.18296E-01 ppm1 0.967 ppm2 4.409 CV 1 OR { 647} ( segid " " and resid 1687 and name HD2%) (( segid " " and resid 1687 and name HA )) ASSI { 662} (( segid " " and resid 1810 and name HA )) (( segid " " and resid 1811 and name H )) 3.400 1.400 1.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 4.398 ppm2 8.477 CV 1 OR { 662} (( segid " " and resid 1810 and name HA )) (( segid " " and resid 1814 and name H )) ASSI { 667} ( segid " " and resid 1810 and name HD1%) (( segid " " and resid 1811 and name H )) 3.500 1.600 1.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.19200E-02 ppm1 0.973 ppm2 8.476 CV 1 OR { 667} ( segid " " and resid 1810 and name HD1%) (( segid " " and resid 1814 and name H )) ASSI { 705} (( segid " " and resid 1807 and name HA )) ( segid " " and resid 1807 and name HG1%) 2.400 0.700 0.700 peak 705 spectrum 1 weight 0.10000E+01 volume 0.71822E-02 ppm1 3.538 ppm2 0.907 CV 1 OR { 705} (( segid " " and resid 1807 and name HA )) ( segid " " and resid 1706 and name HG1%) OR { 705} (( segid " " and resid 1807 and name HA )) ( segid " " and resid 1768 and name HD2%) ASSI { 715} (( segid " " and resid 1715 and name HB2 )) (( segid " " and resid 1730 and name HD2 )) 3.300 1.300 1.300 peak 715 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 2.390 ppm2 1.479 CV 1 OR { 715} (( segid " " and resid 1715 and name HB2 )) ( segid " " and resid 1719 and name HB% ) ASSI { 757} (( segid " " and resid 1806 and name HA )) ( segid " " and resid 1806 and name HB% ) 1.900 0.400 0.400 peak 757 spectrum 1 weight 0.10000E+01 volume 0.21256E-01 ppm1 4.279 ppm2 1.601 CV 1 OR { 757} (( segid " " and resid 1678 and name HA )) ( segid " " and resid 1678 and name HB% ) ASSI { 759} (( segid " " and resid 1678 and name HA )) ( segid " " and resid 1746 and name HG1%) 3.500 1.500 1.500 peak 759 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 4.280 ppm2 1.052 CV 1 OR { 759} (( segid " " and resid 1806 and name HA )) ( segid " " and resid 1768 and name HD1%) ASSI { 763} ( segid " " and resid 1744 and name HB% ) ( segid " " and resid 1698 and name HD2%) 2.100 0.600 0.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.16528E-01 ppm1 1.571 ppm2 0.989 CV 1 OR { 763} ( segid " " and resid 1705 and name HB% ) ( segid " " and resid 1706 and name HG2%) ASSI { 789} (( segid " " and resid 1742 and name HB )) (( segid " " and resid 1743 and name H )) 2.500 0.800 0.800 peak 789 spectrum 1 weight 0.10000E+01 volume 0.41516E-02 ppm1 4.488 ppm2 8.206 CV 1 OR { 789} (( segid " " and resid 1812 and name HB )) (( segid " " and resid 1812 and name H )) ASSI { 795} (( segid " " and resid 1804 and name HA )) (( segid " " and resid 1710 and name HA )) 3.700 1.700 1.700 peak 795 spectrum 1 weight 0.10000E+01 volume 0.62646E-03 ppm1 3.792 ppm2 4.057 CV 1 OR { 795} (( segid " " and resid 1804 and name HA )) (( segid " " and resid 1805 and name HA )) ASSI { 800} (( segid " " and resid 1804 and name HB )) (( segid " " and resid 1803 and name HB2 )) 4.500 2.500 1.500 peak 800 spectrum 1 weight 0.10000E+01 volume 0.67725E-03 ppm1 4.424 ppm2 2.117 CV 1 OR { 800} (( segid " " and resid 1804 and name HB )) (( segid " " and resid 1805 and name HB2 )) ASSI { 841} (( segid " " and resid 1677 and name HG3 )) (( segid " " and resid 1677 and name H )) 3.100 1.200 1.200 peak 841 spectrum 1 weight 0.10000E+01 volume 0.44936E-02 ppm1 2.485 ppm2 8.252 CV 1 OR { 841} (( segid " " and resid 1707 and name HG2 )) (( segid " " and resid 1707 and name H )) ASSI { 845} (( segid " " and resid 1803 and name HG2 )) (( segid " " and resid 1771 and name HB2 )) 2.900 1.100 1.100 peak 845 spectrum 1 weight 0.10000E+01 volume 0.45342E-02 ppm1 2.491 ppm2 4.068 CV 1 OR { 845} (( segid " " and resid 1677 and name HG3 )) (( segid " " and resid 1677 and name HA )) ASSI { 853} (( segid " " and resid 1803 and name HG2 )) (( segid " " and resid 1803 and name HB2 )) 2.400 0.700 0.700 peak 853 spectrum 1 weight 0.10000E+01 volume 0.85403E-02 ppm1 2.476 ppm2 2.140 CV 1 OR { 853} (( segid " " and resid 1788 and name HG3 )) (( segid " " and resid 1788 and name HB3 )) ASSI { 900} (( segid " " and resid 1774 and name HA )) (( segid " " and resid 1774 and name HB2 )) 2.200 0.600 0.600 peak 900 spectrum 1 weight 0.10000E+01 volume 0.95154E-02 ppm1 4.266 ppm2 2.255 CV 1 OR { 900} (( segid " " and resid 1802 and name HA )) (( segid " " and resid 1802 and name HB2 )) OR { 900} (( segid " " and resid 1774 and name HA )) (( segid " " and resid 1774 and name HB3 )) ASSI { 902} (( segid " " and resid 1802 and name HA )) (( segid " " and resid 1805 and name HB2 )) 3.200 1.300 1.300 peak 902 spectrum 1 weight 0.10000E+01 volume 0.45884E-02 ppm1 4.258 ppm2 2.126 CV 1 OR { 902} (( segid " " and resid 1802 and name HA )) ( segid " " and resid 1802 and name HE% ) ASSI { 909} (( segid " " and resid 1677 and name HA )) ( segid " " and resid 1680 and name HD2%) 2.700 0.900 0.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.45342E-02 ppm1 4.065 ppm2 0.893 CV 1 OR { 909} (( segid " " and resid 1801 and name HA )) ( segid " " and resid 1800 and name HG2%) ASSI { 914} (( segid " " and resid 1801 and name HG3 )) (( segid " " and resid 1801 and name HB2 )) 1.800 0.400 0.400 peak 914 spectrum 1 weight 0.10000E+01 volume 0.35129E-01 ppm1 2.462 ppm2 2.257 CV 1 OR { 914} (( segid " " and resid 1801 and name HG2 )) (( segid " " and resid 1801 and name HB3 )) OR { 914} (( segid " " and resid 1774 and name HG3 )) (( segid " " and resid 1774 and name HB3 )) OR { 914} (( segid " " and resid 1801 and name HG2 )) (( segid " " and resid 1801 and name HB2 )) OR { 914} (( segid " " and resid 1801 and name HG3 )) (( segid " " and resid 1801 and name HB3 )) ASSI { 915} (( segid " " and resid 1801 and name HA )) (( segid " " and resid 1801 and name HB3 )) 2.100 0.600 0.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.14477E-01 ppm1 4.067 ppm2 2.256 CV 1 OR { 915} (( segid " " and resid 1677 and name HA )) (( segid " " and resid 1677 and name HB2 )) ASSI { 934} (( segid " " and resid 1734 and name HA )) (( segid " " and resid 1734 and name H )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.44665E-02 ppm1 4.043 ppm2 7.960 CV 1 OR { 934} (( segid " " and resid 1805 and name HA )) (( segid " " and resid 1806 and name H )) ASSI { 944} (( segid " " and resid 1800 and name HA )) ( segid " " and resid 1713 and name HG2%) 2.400 0.700 0.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.10311E-01 ppm1 3.410 ppm2 0.983 CV 1 OR { 944} (( segid " " and resid 1800 and name HA )) ( segid " " and resid 1800 and name HG1%) ASSI { 945} (( segid " " and resid 1800 and name HA )) ( segid " " and resid 1800 and name HG2%) 2.300 0.700 0.700 peak 945 spectrum 1 weight 0.10000E+01 volume 0.67454E-02 ppm1 3.410 ppm2 0.890 CV 1 OR { 945} (( segid " " and resid 1800 and name HA )) ( segid " " and resid 1775 and name HD2%) ASSI { 949} ( segid " " and resid 1800 and name HG2%) ( segid " " and resid 1713 and name HG2%) 1.800 0.400 0.400 peak 949 spectrum 1 weight 0.10000E+01 volume 0.30930E-01 ppm1 0.891 ppm2 0.980 CV 1 OR { 949} ( segid " " and resid 1800 and name HG2%) ( segid " " and resid 1800 and name HG1%) ASSI { 954} ( segid " " and resid 1741 and name HD2%) ( segid " " and resid 1745 and name HB% ) 2.200 0.600 0.600 peak 954 spectrum 1 weight 0.10000E+01 volume 0.20436E-01 ppm1 0.990 ppm2 1.557 CV 1 OR { 954} ( segid " " and resid 1741 and name HD2%) ( segid " " and resid 1744 and name HB% ) ASSI { 966} ( segid " " and resid 1800 and name HG1%) (( segid " " and resid 1797 and name HA )) 2.100 0.600 0.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.11266E-01 ppm1 0.991 ppm2 3.974 CV 1 OR { 966} ( segid " " and resid 1741 and name HD2%) (( segid " " and resid 1741 and name HA )) ASSI { 968} (( segid " " and resid 1800 and name HA )) (( segid " " and resid 1775 and name HA )) 4.500 2.600 1.500 peak 968 spectrum 1 weight 0.10000E+01 volume 0.70093E-03 ppm1 3.411 ppm2 3.984 CV 1 OR { 968} (( segid " " and resid 1800 and name HA )) (( segid " " and resid 1797 and name HA )) ASSI { 982} ( segid " " and resid 1720 and name HB% ) (( segid " " and resid 1784 and name H )) 3.400 1.500 1.500 peak 982 spectrum 1 weight 0.10000E+01 volume 0.23738E-02 ppm1 1.555 ppm2 8.452 CV 1 OR { 982} ( segid " " and resid 1795 and name HB% ) (( segid " " and resid 1794 and name H )) ASSI { 983} ( segid " " and resid 1720 and name HB% ) (( segid " " and resid 1720 and name H )) 2.100 0.600 0.600 peak 983 spectrum 1 weight 0.10000E+01 volume 0.12800E-01 ppm1 1.550 ppm2 8.356 CV 1 OR { 983} ( segid " " and resid 1682 and name HB% ) (( segid " " and resid 1683 and name H )) ASSI { 989} ( segid " " and resid 1682 and name HB% ) (( segid " " and resid 1758 and name HE22)) 3.600 1.700 1.700 peak 989 spectrum 1 weight 0.10000E+01 volume 0.18015E-02 ppm1 1.578 ppm2 7.485 CV 1 OR { 989} ( segid " " and resid 1749 and name HB% ) (( segid " " and resid 1758 and name HE22)) ASSI { 1001} ( segid " " and resid 1799 and name HB% ) ( segid " " and resid 1775 and name HD2%) 2.200 0.600 0.600 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.13525E-01 ppm1 1.556 ppm2 0.864 CV 1 OR { 1001} ( segid " " and resid 1720 and name HB% ) ( segid " " and resid 1796 and name HD2%) ASSI { 1002} ( segid " " and resid 1749 and name HB% ) ( segid " " and resid 1687 and name HD1%) 2.400 0.700 0.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.94610E-02 ppm1 1.581 ppm2 0.849 CV 1 OR { 1002} ( segid " " and resid 1682 and name HB% ) ( segid " " and resid 1687 and name HD1%) ASSI { 1009} (( segid " " and resid 1794 and name HG2 )) (( segid " " and resid 1794 and name HB3 )) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.79613E-02 ppm1 2.401 ppm2 2.088 CV 1 OR { 1009} (( segid " " and resid 1794 and name HG2 )) (( segid " " and resid 1794 and name HB2 )) OR { 1009} (( segid " " and resid 1696 and name HG2 )) (( segid " " and resid 1696 and name HB2 )) ASSI { 1018} (( segid " " and resid 1794 and name HA )) (( segid " " and resid 1794 and name H )) 2.600 0.900 0.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.47408E-02 ppm1 4.071 ppm2 8.451 CV 1 OR { 1018} (( segid " " and resid 1793 and name HA )) (( segid " " and resid 1794 and name H )) ASSI { 1024} (( segid " " and resid 1780 and name HA )) (( segid " " and resid 1783 and name H )) 2.900 1.100 1.100 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.26718E-02 ppm1 3.974 ppm2 8.553 CV 1 OR { 1024} (( segid " " and resid 1797 and name HA )) (( segid " " and resid 1800 and name H )) ASSI { 1028} (( segid " " and resid 1757 and name HB3 )) (( segid " " and resid 1757 and name HA )) 2.600 0.800 0.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.49338E-02 ppm1 2.112 ppm2 4.177 CV 1 OR { 1028} (( segid " " and resid 1757 and name HB2 )) (( segid " " and resid 1757 and name HA )) OR { 1028} (( segid " " and resid 1764 and name HB2 )) (( segid " " and resid 1764 and name HA )) ASSI { 1032} (( segid " " and resid 1658 and name HB3 )) (( segid " " and resid 1658 and name HA )) 2.700 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.41414E-02 ppm1 2.228 ppm2 3.926 CV 1 OR { 1032} (( segid " " and resid 1658 and name HB2 )) (( segid " " and resid 1658 and name HA )) OR { 1032} (( segid " " and resid 1733 and name HB2 )) (( segid " " and resid 1733 and name HA )) ASSI { 1043} (( segid " " and resid 1808 and name HB2 )) (( segid " " and resid 1808 and name HG2 )) 2.400 0.700 0.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.85608E-02 ppm1 2.181 ppm2 2.438 CV 1 OR { 1043} (( segid " " and resid 1658 and name HB3 )) (( segid " " and resid 1658 and name HG3 )) OR { 1043} (( segid " " and resid 1808 and name HB3 )) (( segid " " and resid 1808 and name HG3 )) OR { 1043} (( segid " " and resid 1808 and name HB3 )) (( segid " " and resid 1808 and name HG2 )) OR { 1043} (( segid " " and resid 1808 and name HB2 )) (( segid " " and resid 1808 and name HG3 )) ASSI { 1048} ( segid " " and resid 1697 and name HB% ) (( segid " " and resid 1693 and name HG13)) 2.000 0.500 0.500 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.13057E-01 ppm1 1.518 ppm2 1.271 CV 1 OR { 1048} ( segid " " and resid 1795 and name HB% ) ( segid " " and resid 1778 and name HG2%) ASSI { 1080} (( segid " " and resid 1652 and name HA )) (( segid " " and resid 1652 and name HG2 )) 3.600 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.15340E-02 ppm1 4.370 ppm2 1.945 CV 1 OR { 1080} (( segid " " and resid 1671 and name HA )) (( segid " " and resid 1675 and name HG )) ASSI { 1095} (( segid " " and resid 1730 and name HB3 )) (( segid " " and resid 1730 and name HB2 )) 2.000 0.500 0.500 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.53266E-02 ppm1 1.676 ppm2 2.073 CV 1 OR { 1095} (( segid " " and resid 1715 and name HB3 )) (( segid " " and resid 1715 and name HG3 )) ASSI { 1099} (( segid " " and resid 1715 and name HB3 )) (( segid " " and resid 1715 and name HD3 )) 3.100 1.200 1.200 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.14426E-02 ppm1 1.681 ppm2 3.758 CV 1 OR { 1099} (( segid " " and resid 1652 and name HB3 )) (( segid " " and resid 1652 and name HD3 )) ASSI { 1174} (( segid " " and resid 1656 and name HD3 )) (( segid " " and resid 1656 and name HB2 )) 3.700 1.700 1.700 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.17880E-02 ppm1 3.906 ppm2 1.861 CV 1 OR { 1174} (( segid " " and resid 1689 and name HD2 )) (( segid " " and resid 1689 and name HB3 )) ASSI { 1221} (( segid " " and resid 1692 and name HA3 )) (( segid " " and resid 1693 and name HA )) 3.800 1.800 1.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.84655E-03 ppm1 4.122 ppm2 4.439 CV 1 OR { 1221} (( segid " " and resid 1692 and name HA2 )) (( segid " " and resid 1693 and name HA )) OR { 1221} (( segid " " and resid 1657 and name HA3 )) (( segid " " and resid 1656 and name HA )) ASSI { 1270} (( segid " " and resid 1707 and name HB2 )) (( segid " " and resid 1707 and name HB3 )) 1.800 0.400 0.400 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.16061E-01 ppm1 1.864 ppm2 2.242 CV 1 OR { 1270} (( segid " " and resid 1660 and name HB3 )) (( segid " " and resid 1660 and name HG3 )) ASSI { 1341} ( segid " " and resid 1663 and name HG2%) (( segid " " and resid 1663 and name HB )) 2.000 0.500 0.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.19366E-01 ppm1 1.270 ppm2 4.222 CV 1 OR { 1341} ( segid " " and resid 1704 and name HG2%) (( segid " " and resid 1704 and name HB )) ASSI { 1413} (( segid " " and resid 1665 and name HA )) (( segid " " and resid 1773 and name HG )) 4.400 2.400 1.600 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.45038E-03 ppm1 3.393 ppm2 1.556 CV 1 OR { 1413} (( segid " " and resid 1665 and name HA )) ( segid " " and resid 1666 and name HB% ) ASSI { 1417} ( segid " " and resid 1665 and name HG2%) ( segid " " and resid 1666 and name HB% ) 3.400 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.16932E-02 ppm1 0.836 ppm2 1.555 CV 1 OR { 1417} ( segid " " and resid 1665 and name HG2%) (( segid " " and resid 1773 and name HG )) ASSI { 1427} (( segid " " and resid 1665 and name HB )) ( segid " " and resid 1665 and name HG2%) 2.300 0.700 0.700 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.65118E-02 ppm1 1.810 ppm2 0.829 CV 1 OR { 1427} (( segid " " and resid 1709 and name HB )) (( segid " " and resid 1709 and name HG12)) ASSI { 1429} (( segid " " and resid 1709 and name HB )) ( segid " " and resid 1807 and name HG1%) 3.600 1.600 1.600 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.12800E-02 ppm1 1.807 ppm2 0.907 CV 1 OR { 1429} (( segid " " and resid 1709 and name HB )) ( segid " " and resid 1706 and name HG1%) ASSI { 1445} (( segid " " and resid 1760 and name HA )) (( segid " " and resid 1760 and name H )) 2.300 0.700 0.700 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.96781E-02 ppm1 4.255 ppm2 7.981 CV 1 OR { 1445} (( segid " " and resid 1667 and name HA )) (( segid " " and resid 1667 and name H )) ASSI { 1463} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1769 and name HA )) 3.200 1.300 1.300 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.46324E-02 ppm1 0.366 ppm2 3.864 CV 1 OR { 1463} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1668 and name HA )) ASSI { 1490} ( segid " " and resid 1668 and name HD2%) ( segid " " and resid 1772 and name HB% ) 2.000 0.500 0.500 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.14524E-01 ppm1 0.368 ppm2 1.290 CV 1 OR { 1490} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1668 and name HG )) OR { 1490} ( segid " " and resid 1668 and name HD2%) (( segid " " and resid 1668 and name HB2 )) ASSI { 1493} ( segid " " and resid 1668 and name HD1%) ( segid " " and resid 1735 and name HB% ) 3.200 1.200 1.200 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.29393E-02 ppm1 0.227 ppm2 1.435 CV 1 OR { 1493} ( segid " " and resid 1668 and name HD1%) ( segid " " and resid 1664 and name HB% ) ASSI { 1494} ( segid " " and resid 1668 and name HD1%) (( segid " " and resid 1668 and name HB2 )) 2.000 0.500 0.500 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.16881E-01 ppm1 0.226 ppm2 1.285 CV 1 OR { 1494} ( segid " " and resid 1668 and name HD1%) ( segid " " and resid 1772 and name HB% ) ASSI { 1500} (( segid " " and resid 1668 and name HB2 )) ( segid " " and resid 1665 and name HG2%) 4.100 2.200 1.900 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.16627E-02 ppm1 1.287 ppm2 0.832 CV 1 OR { 1500} (( segid " " and resid 1668 and name HB2 )) ( segid " " and resid 1773 and name HD2%) ASSI { 1543} (( segid " " and resid 1699 and name HA )) (( segid " " and resid 1700 and name H )) 3.000 1.100 1.100 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.23602E-02 ppm1 4.213 ppm2 8.315 CV 1 OR { 1543} (( segid " " and resid 1699 and name HA )) (( segid " " and resid 1702 and name H )) ASSI { 1551} (( segid " " and resid 1673 and name HD2 )) (( segid " " and resid 1673 and name HA )) 3.400 1.400 1.400 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.18591E-02 ppm1 3.291 ppm2 4.226 CV 1 OR { 1551} (( segid " " and resid 1673 and name HD3 )) (( segid " " and resid 1673 and name HA )) OR { 1551} (( segid " " and resid 1673 and name HD2 )) (( segid " " and resid 1670 and name HA )) ASSI { 1561} (( segid " " and resid 1816 and name HB2 )) (( segid " " and resid 1815 and name HB2 )) 4.100 2.100 1.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.65693E-03 ppm1 2.095 ppm2 2.972 CV 1 OR { 1561} (( segid " " and resid 1673 and name HB2 )) (( segid " " and resid 1674 and name HB2 )) ASSI { 1609} (( segid " " and resid 1707 and name HB3 )) (( segid " " and resid 1707 and name H )) 2.600 0.800 0.800 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.63086E-02 ppm1 2.250 ppm2 8.250 CV 1 OR { 1609} (( segid " " and resid 1677 and name HB2 )) (( segid " " and resid 1677 and name H )) ASSI { 1610} (( segid " " and resid 1707 and name HB3 )) (( segid " " and resid 1707 and name H )) 3.100 1.200 1.200 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.52555E-02 ppm1 2.209 ppm2 8.253 CV 1 OR { 1610} (( segid " " and resid 1677 and name HB3 )) (( segid " " and resid 1677 and name H )) ASSI { 1617} ( segid " " and resid 1678 and name HB% ) (( segid " " and resid 1675 and name HB3 )) 3.600 1.700 1.700 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.12834E-02 ppm1 1.607 ppm2 1.394 CV 1 OR { 1617} ( segid " " and resid 1678 and name HB% ) ( segid " " and resid 1681 and name HB% ) ASSI { 1623} (( segid " " and resid 1672 and name HB3 )) ( segid " " and resid 1672 and name HD2%) 2.300 0.600 0.600 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.12973E-01 ppm1 1.638 ppm2 0.896 CV 1 OR { 1623} (( segid " " and resid 1680 and name HB2 )) ( segid " " and resid 1680 and name HD1%) OR { 1623} (( segid " " and resid 1680 and name HB2 )) ( segid " " and resid 1680 and name HD2%) ASSI { 1624} (( segid " " and resid 1703 and name HB3 )) ( segid " " and resid 1703 and name HD1%) 2.400 0.700 0.700 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.78021E-02 ppm1 1.804 ppm2 0.896 CV 1 OR { 1624} (( segid " " and resid 1680 and name HB3 )) ( segid " " and resid 1680 and name HD2%) OR { 1624} (( segid " " and resid 1680 and name HB3 )) ( segid " " and resid 1680 and name HD1%) ASSI { 1625} (( segid " " and resid 1743 and name HG )) ( segid " " and resid 1743 and name HD2%) 2.200 0.600 0.600 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.11425E-01 ppm1 1.710 ppm2 0.905 CV 1 OR { 1625} (( segid " " and resid 1680 and name HG )) ( segid " " and resid 1680 and name HD1%) OR { 1625} (( segid " " and resid 1743 and name HG )) ( segid " " and resid 1743 and name HD1%) OR { 1625} (( segid " " and resid 1680 and name HG )) ( segid " " and resid 1680 and name HD2%) ASSI { 1628} (( segid " " and resid 1721 and name HA )) (( segid " " and resid 1721 and name HB3 )) 2.200 0.600 0.600 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.10924E-01 ppm1 4.143 ppm2 1.820 CV 1 OR { 1628} (( segid " " and resid 1721 and name HA )) (( segid " " and resid 1721 and name HB2 )) OR { 1628} (( segid " " and resid 1680 and name HA )) (( segid " " and resid 1680 and name HB3 )) ASSI { 1630} (( segid " " and resid 1659 and name HA )) (( segid " " and resid 1659 and name HB2 )) 2.400 0.700 0.700 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.58040E-02 ppm1 4.141 ppm2 1.638 CV 1 OR { 1630} (( segid " " and resid 1680 and name HA )) (( segid " " and resid 1680 and name HB2 )) ASSI { 1631} (( segid " " and resid 1721 and name HA )) (( segid " " and resid 1721 and name HG2 )) 2.900 1.000 1.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.49778E-02 ppm1 4.142 ppm2 1.555 CV 1 OR { 1631} (( segid " " and resid 1721 and name HA )) ( segid " " and resid 1720 and name HB% ) ASSI { 1666} ( segid " " and resid 1659 and name HD1%) (( segid " " and resid 1659 and name HG )) 2.300 0.600 0.600 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.11415E-01 ppm1 0.915 ppm2 1.599 CV 1 OR { 1666} ( segid " " and resid 1743 and name HD2%) (( segid " " and resid 1743 and name HB3 )) ASSI { 1737} (( segid " " and resid 1726 and name HG2 )) (( segid " " and resid 1726 and name HA )) 2.500 0.800 0.800 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.65491E-02 ppm1 2.359 ppm2 4.531 CV 1 OR { 1737} (( segid " " and resid 1686 and name HG3 )) (( segid " " and resid 1686 and name HA )) ASSI { 1739} (( segid " " and resid 1690 and name HB2 )) (( segid " " and resid 1689 and name HA )) 4.100 2.100 1.900 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.88384E-03 ppm1 1.689 ppm2 4.167 CV 1 OR { 1739} (( segid " " and resid 1686 and name HB2 )) (( segid " " and resid 1682 and name HA )) ASSI { 1756} (( segid " " and resid 1793 and name HG2 )) (( segid " " and resid 1793 and name HB2 )) 2.200 0.600 0.600 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.12837E-01 ppm1 2.400 ppm2 2.159 CV 1 OR { 1756} (( segid " " and resid 1788 and name HG2 )) (( segid " " and resid 1788 and name HB3 )) OR { 1756} (( segid " " and resid 1793 and name HG3 )) (( segid " " and resid 1793 and name HB2 )) ASSI { 1863} (( segid " " and resid 1740 and name HB3 )) (( segid " " and resid 1740 and name HG2 )) 2.500 0.800 0.800 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.77986E-02 ppm1 1.894 ppm2 2.322 CV 1 OR { 1863} (( segid " " and resid 1691 and name HB3 )) (( segid " " and resid 1691 and name HG3 )) ASSI { 1868} (( segid " " and resid 1691 and name HG2 )) (( segid " " and resid 1691 and name HB2 )) 2.100 0.600 0.600 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.14229E-01 ppm1 2.231 ppm2 2.062 CV 1 OR { 1868} (( segid " " and resid 1714 and name HG2 )) (( segid " " and resid 1714 and name HB3 )) ASSI { 1896} (( segid " " and resid 1693 and name HG13)) (( segid " " and resid 1693 and name HG12)) 1.800 0.400 0.400 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.11693E-01 ppm1 1.273 ppm2 1.518 CV 1 OR { 1896} (( segid " " and resid 1693 and name HG13)) ( segid " " and resid 1697 and name HB% ) ASSI { 1898} ( segid " " and resid 1693 and name HG2%) (( segid " " and resid 1693 and name HB )) 2.100 0.500 0.500 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.13332E-01 ppm1 0.787 ppm2 1.735 CV 1 OR { 1898} ( segid " " and resid 1693 and name HG2%) (( segid " " and resid 1698 and name HG )) ASSI { 1905} ( segid " " and resid 1693 and name HD1%) (( segid " " and resid 1693 and name HG12)) 2.200 0.600 0.600 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.12875E-01 ppm1 0.829 ppm2 1.516 CV 1 OR { 1905} ( segid " " and resid 1693 and name HD1%) ( segid " " and resid 1697 and name HB% ) ASSI { 1907} (( segid " " and resid 1693 and name HG12)) (( segid " " and resid 1693 and name HB )) 2.600 0.800 0.800 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.45613E-02 ppm1 1.516 ppm2 1.743 CV 1 OR { 1907} (( segid " " and resid 1730 and name HD2 )) (( segid " " and resid 1730 and name HG2 )) ASSI { 1930} (( segid " " and resid 1694 and name HA )) ( segid " " and resid 1697 and name HB% ) 4.300 2.300 1.700 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.66709E-03 ppm1 4.520 ppm2 1.514 CV 1 OR { 1930} (( segid " " and resid 1694 and name HA )) (( segid " " and resid 1693 and name HG12)) ASSI { 1934} (( segid " " and resid 1695 and name HB3 )) (( segid " " and resid 1696 and name H )) 2.700 0.900 0.900 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.25871E-02 ppm1 1.992 ppm2 8.910 CV 1 OR { 1934} (( segid " " and resid 1696 and name HB3 )) (( segid " " and resid 1696 and name H )) ASSI { 1935} (( segid " " and resid 1714 and name HG3 )) (( segid " " and resid 1714 and name H )) 2.700 0.900 0.900 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.33321E-02 ppm1 2.364 ppm2 8.905 CV 1 OR { 1935} (( segid " " and resid 1696 and name HG2 )) (( segid " " and resid 1696 and name H )) ASSI { 1947} (( segid " " and resid 1696 and name HB3 )) (( segid " " and resid 1696 and name HB2 )) 1.700 0.400 0.500 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.25201E-01 ppm1 1.990 ppm2 2.093 CV 1 OR { 1947} (( segid " " and resid 1695 and name HB3 )) (( segid " " and resid 1695 and name HG2 )) ASSI { 1957} (( segid " " and resid 1698 and name HA )) (( segid " " and resid 1701 and name H )) 3.000 1.100 1.100 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.19132E-02 ppm1 4.066 ppm2 8.303 CV 1 OR { 1957} (( segid " " and resid 1698 and name HA )) (( segid " " and resid 1702 and name H )) ASSI { 2050} (( segid " " and resid 1743 and name HB3 )) ( segid " " and resid 1743 and name HD1%) 2.400 0.700 0.700 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.88078E-02 ppm1 1.597 ppm2 0.905 CV 1 OR { 2050} (( segid " " and resid 1743 and name HB3 )) ( segid " " and resid 1743 and name HD2%) OR { 2050} (( segid " " and resid 1703 and name HB2 )) ( segid " " and resid 1703 and name HD1%) ASSI { 2056} ( segid " " and resid 1680 and name HD1%) (( segid " " and resid 1680 and name HB3 )) 2.700 0.900 0.900 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.82729E-02 ppm1 0.888 ppm2 1.794 CV 1 OR { 2056} ( segid " " and resid 1703 and name HD2%) (( segid " " and resid 1703 and name HB3 )) ASSI { 2076} ( segid " " and resid 1720 and name HB% ) ( segid " " and resid 1779 and name HB% ) 2.400 0.700 0.700 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.74938E-02 ppm1 1.553 ppm2 1.354 CV 1 OR { 2076} ( segid " " and resid 1720 and name HB% ) (( segid " " and resid 1727 and name HG )) ASSI { 2080} (( segid " " and resid 1706 and name HB )) (( segid " " and resid 1706 and name H )) 2.300 0.700 0.700 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.49981E-02 ppm1 2.084 ppm2 8.491 CV 1 OR { 2080} (( segid " " and resid 1730 and name HB2 )) (( segid " " and resid 1731 and name H )) ASSI { 2099} (( segid " " and resid 1746 and name HB )) ( segid " " and resid 1746 and name HG2%) 2.200 0.600 0.600 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.91630E-02 ppm1 2.088 ppm2 0.981 CV 1 OR { 2099} (( segid " " and resid 1706 and name HB )) ( segid " " and resid 1706 and name HG2%) ASSI { 2101} ( segid " " and resid 1706 and name HG2%) ( segid " " and resid 1706 and name HG1%) 1.800 0.400 0.400 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.41739E-01 ppm1 0.982 ppm2 0.899 CV 1 OR { 2101} ( segid " " and resid 1753 and name HD2%) ( segid " " and resid 1753 and name HD1%) ASSI { 2147} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1706 and name H )) 4.200 2.200 1.800 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.84995E-03 ppm1 0.259 ppm2 8.483 CV 1 OR { 2147} ( segid " " and resid 1709 and name HD1%) (( segid " " and resid 1710 and name H )) ASSI { 2161} ( segid " " and resid 1709 and name HG2%) (( segid " " and resid 1734 and name HA )) 3.300 1.400 1.400 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.22586E-02 ppm1 0.806 ppm2 4.055 CV 1 OR { 2161} ( segid " " and resid 1709 and name HG2%) (( segid " " and resid 1710 and name HA )) ASSI { 2163} ( segid " " and resid 1709 and name HG2%) (( segid " " and resid 1713 and name HA )) 3.800 1.800 1.800 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.22011E-02 ppm1 0.808 ppm2 3.344 CV 1 OR { 2163} ( segid " " and resid 1709 and name HG2%) (( segid " " and resid 1706 and name HA )) ASSI { 2177} (( segid " " and resid 1709 and name HA )) (( segid " " and resid 1709 and name HB )) 2.800 1.000 1.000 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.21570E-02 ppm1 3.432 ppm2 1.803 CV 1 OR { 2177} (( segid " " and resid 1709 and name HA )) (( segid " " and resid 1712 and name HG )) ASSI { 2189} ( segid " " and resid 1709 and name HD1%) ( segid " " and resid 1807 and name HG2%) 3.500 1.600 1.600 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.12224E-02 ppm1 0.262 ppm2 1.062 CV 1 OR { 2189} ( segid " " and resid 1709 and name HD1%) ( segid " " and resid 1768 and name HD1%) ASSI { 2190} ( segid " " and resid 1709 and name HD1%) ( segid " " and resid 1706 and name HG2%) 3.100 1.200 1.200 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.32204E-02 ppm1 0.258 ppm2 0.987 CV 1 OR { 2190} ( segid " " and resid 1709 and name HD1%) ( segid " " and resid 1741 and name HD2%) ASSI { 2279} (( segid " " and resid 1713 and name HA )) ( segid " " and resid 1713 and name HG2%) 2.200 0.600 0.600 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.10199E-01 ppm1 3.335 ppm2 0.988 CV 1 OR { 2279} (( segid " " and resid 1713 and name HA )) ( segid " " and resid 1712 and name HD1%) ASSI { 2309} (( segid " " and resid 1794 and name HG3 )) (( segid " " and resid 1794 and name HB3 )) 2.200 0.600 0.600 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.12183E-01 ppm1 2.358 ppm2 2.088 CV 1 OR { 2309} (( segid " " and resid 1794 and name HG3 )) (( segid " " and resid 1794 and name HB2 )) OR { 2309} (( segid " " and resid 1696 and name HG2 )) (( segid " " and resid 1696 and name HB2 )) ASSI { 2321} (( segid " " and resid 1715 and name HA )) ( segid " " and resid 1719 and name HB% ) 4.000 2.000 2.000 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.59599E-03 ppm1 4.308 ppm2 1.471 CV 1 OR { 2321} (( segid " " and resid 1715 and name HA )) ( segid " " and resid 1717 and name HB% ) ASSI { 2335} (( segid " " and resid 1730 and name HB3 )) (( segid " " and resid 1712 and name HB2 )) 2.900 1.000 1.000 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.19945E-02 ppm1 1.684 ppm2 1.942 CV 1 OR { 2335} (( segid " " and resid 1652 and name HB3 )) (( segid " " and resid 1652 and name HG2 )) ASSI { 2336} (( segid " " and resid 1715 and name HD2 )) (( segid " " and resid 1715 and name HG3 )) 2.900 1.100 1.100 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.36267E-02 ppm1 3.615 ppm2 2.084 CV 1 OR { 2336} (( segid " " and resid 1715 and name HD2 )) (( segid " " and resid 1714 and name HB3 )) ASSI { 2342} (( segid " " and resid 1715 and name HD3 )) (( segid " " and resid 1715 and name HG3 )) 2.500 0.800 0.800 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.51607E-02 ppm1 3.751 ppm2 2.079 CV 1 OR { 2342} (( segid " " and resid 1715 and name HD3 )) (( segid " " and resid 1714 and name HB3 )) ASSI { 2357} (( segid " " and resid 1715 and name HD3 )) (( segid " " and resid 1715 and name HA )) 3.500 1.500 1.500 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.13714E-02 ppm1 3.749 ppm2 4.323 CV 1 OR { 2357} (( segid " " and resid 1715 and name HD3 )) (( segid " " and resid 1714 and name HA )) ASSI { 2359} (( segid " " and resid 1715 and name HD2 )) (( segid " " and resid 1714 and name HA )) 3.700 1.700 1.700 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.10667E-02 ppm1 3.615 ppm2 4.319 CV 1 OR { 2359} (( segid " " and resid 1715 and name HD2 )) (( segid " " and resid 1715 and name HA )) ASSI { 2360} (( segid " " and resid 1740 and name HD3 )) (( segid " " and resid 1740 and name HA )) 3.000 1.100 1.100 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.24923E-02 ppm1 3.672 ppm2 4.360 CV 1 OR { 2360} (( segid " " and resid 1740 and name HD3 )) (( segid " " and resid 1737 and name HA )) ASSI { 2391} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1716 and name HB3 )) 2.300 0.700 0.700 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.71754E-02 ppm1 0.701 ppm2 2.016 CV 1 OR { 2391} ( segid " " and resid 1716 and name HD2%) ( segid " " and resid 1734 and name HE% ) ASSI { 2400} (( segid " " and resid 1716 and name HA )) (( segid " " and resid 1730 and name HG3 )) 2.300 0.700 0.700 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.54113E-02 ppm1 3.864 ppm2 1.472 CV 1 OR { 2400} (( segid " " and resid 1716 and name HA )) ( segid " " and resid 1719 and name HB% ) ASSI { 2401} (( segid " " and resid 1761 and name HB2 )) (( segid " " and resid 1761 and name HG )) 2.500 0.800 0.800 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.37791E-02 ppm1 1.880 ppm2 1.662 CV 1 OR { 2401} (( segid " " and resid 1716 and name HB2 )) (( segid " " and resid 1730 and name HB3 )) ASSI { 2407} ( segid " " and resid 1716 and name HD2%) (( segid " " and resid 1716 and name HG )) 2.000 0.500 0.500 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.13677E-01 ppm1 0.700 ppm2 1.537 CV 1 OR { 2407} ( segid " " and resid 1716 and name HD2%) ( segid " " and resid 1720 and name HB% ) ASSI { 2417} (( segid " " and resid 1761 and name HB2 )) ( segid " " and resid 1761 and name HD2%) 2.500 0.800 0.800 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.54316E-02 ppm1 1.888 ppm2 0.849 CV 1 OR { 2417} (( segid " " and resid 1796 and name HB3 )) ( segid " " and resid 1796 and name HD2%) ASSI { 2446} (( segid " " and resid 1717 and name HA )) (( segid " " and resid 1721 and name HB3 )) 4.300 2.300 1.700 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.46731E-03 ppm1 3.829 ppm2 1.829 CV 1 OR { 2446} (( segid " " and resid 1717 and name HA )) (( segid " " and resid 1721 and name HG3 )) OR { 2446} (( segid " " and resid 1769 and name HA )) (( segid " " and resid 1668 and name HB3 )) ASSI { 2450} (( segid " " and resid 1769 and name HA )) ( segid " " and resid 1672 and name HD1%) 3.700 1.700 1.700 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.15171E-02 ppm1 3.831 ppm2 0.983 CV 1 OR { 2450} (( segid " " and resid 1717 and name HA )) ( segid " " and resid 1800 and name HG1%) ASSI { 2457} ( segid " " and resid 1748 and name HB% ) (( segid " " and resid 1752 and name HB )) 2.500 0.800 0.800 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.73176E-02 ppm1 1.453 ppm2 4.326 CV 1 OR { 2457} ( segid " " and resid 1717 and name HB% ) (( segid " " and resid 1714 and name HA )) OR { 2457} ( segid " " and resid 1655 and name HB% ) (( segid " " and resid 1654 and name HA )) ASSI { 2459} ( segid " " and resid 1790 and name HB% ) (( segid " " and resid 1790 and name HA )) 2.100 0.500 0.500 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.18794E-01 ppm1 1.474 ppm2 4.183 CV 1 OR { 2459} ( segid " " and resid 1760 and name HB% ) (( segid " " and resid 1757 and name HA )) ASSI { 2463} (( segid " " and resid 1732 and name HB2 )) (( segid " " and resid 1729 and name HA )) 2.800 1.000 1.000 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.28309E-02 ppm1 4.000 ppm2 4.487 CV 1 OR { 2463} (( segid " " and resid 1679 and name HB3 )) (( segid " " and resid 1676 and name HA )) ASSI { 2475} (( segid " " and resid 1718 and name HB3 )) ( segid " " and resid 1719 and name HB% ) 3.800 1.800 1.800 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.10125E-02 ppm1 3.971 ppm2 1.459 CV 1 OR { 2475} (( segid " " and resid 1718 and name HB3 )) ( segid " " and resid 1717 and name HB% ) ASSI { 2476} (( segid " " and resid 1679 and name HB3 )) ( segid " " and resid 1682 and name HB% ) 4.000 2.000 2.000 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.12902E-02 ppm1 3.993 ppm2 1.546 CV 1 OR { 2476} (( segid " " and resid 1718 and name HB3 )) (( segid " " and resid 1721 and name HG2 )) ASSI { 2482} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1727 and name H )) 2.900 1.100 1.100 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.25431E-02 ppm1 1.469 ppm2 7.727 CV 1 OR { 2482} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1726 and name H )) ASSI { 2484} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1727 and name HA )) 2.200 0.600 0.600 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.99489E-02 ppm1 1.468 ppm2 3.860 CV 1 OR { 2484} ( segid " " and resid 1719 and name HB% ) (( segid " " and resid 1716 and name HA )) ASSI { 2493} (( segid " " and resid 1720 and name HA )) (( segid " " and resid 1727 and name HG )) 4.200 2.200 1.800 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 3.843 ppm2 1.354 CV 1 OR { 2493} (( segid " " and resid 1720 and name HA )) ( segid " " and resid 1779 and name HB% ) ASSI { 2505} (( segid " " and resid 1721 and name HD3 )) (( segid " " and resid 1718 and name HA )) 3.100 1.200 1.200 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 3.161 ppm2 4.135 CV 1 OR { 2505} (( segid " " and resid 1721 and name HD3 )) (( segid " " and resid 1721 and name HA )) ASSI { 2580} (( segid " " and resid 1686 and name HB3 )) (( segid " " and resid 1686 and name HA )) 2.700 0.900 0.900 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.36606E-02 ppm1 2.359 ppm2 4.529 CV 1 OR { 2580} (( segid " " and resid 1726 and name HB2 )) (( segid " " and resid 1726 and name HA )) ASSI { 2602} (( segid " " and resid 1726 and name HG2 )) ( segid " " and resid 1719 and name HB% ) 3.900 1.900 1.900 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.14324E-02 ppm1 2.350 ppm2 1.469 CV 1 OR { 2602} (( segid " " and resid 1726 and name HG2 )) (( segid " " and resid 1730 and name HG3 )) ASSI { 2615} ( segid " " and resid 1727 and name HD1%) ( segid " " and resid 1720 and name HB% ) 1.900 0.500 0.500 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.19833E-01 ppm1 0.808 ppm2 1.559 CV 1 OR { 2615} ( segid " " and resid 1796 and name HD1%) (( segid " " and resid 1796 and name HB2 )) ASSI { 2632} ( segid " " and resid 1762 and name HD2%) (( segid " " and resid 1762 and name HA )) 3.300 1.400 1.400 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.36809E-02 ppm1 0.766 ppm2 3.974 CV 1 OR { 2632} ( segid " " and resid 1762 and name HD2%) (( segid " " and resid 1679 and name HB3 )) ASSI { 2636} ( segid " " and resid 1796 and name HD1%) (( segid " " and resid 1778 and name HB )) 3.300 1.400 1.400 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.17168E-02 ppm1 0.818 ppm2 4.125 CV 1 OR { 2636} ( segid " " and resid 1727 and name HD1%) (( segid " " and resid 1657 and name HA3 )) ASSI { 2675} (( segid " " and resid 1729 and name HB2 )) (( segid " " and resid 1729 and name H )) 2.400 0.700 0.700 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.46561E-02 ppm1 3.239 ppm2 7.923 CV 1 OR { 2675} (( segid " " and resid 1729 and name HB2 )) (( segid " " and resid 1730 and name H )) ASSI { 2676} (( segid " " and resid 1729 and name HB3 )) (( segid " " and resid 1729 and name H )) 3.000 1.100 1.100 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.46155E-02 ppm1 3.182 ppm2 7.923 CV 1 OR { 2676} (( segid " " and resid 1729 and name HB3 )) (( segid " " and resid 1730 and name H )) ASSI { 2711} (( segid " " and resid 1731 and name HA )) (( segid " " and resid 1731 and name HB )) 2.600 0.800 0.800 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.38468E-02 ppm1 3.690 ppm2 2.141 CV 1 OR { 2711} (( segid " " and resid 1731 and name HA )) (( segid " " and resid 1734 and name HB3 )) ASSI { 2717} (( segid " " and resid 1731 and name HA )) ( segid " " and resid 1664 and name HB% ) 4.000 2.000 2.000 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.83981E-03 ppm1 3.687 ppm2 1.432 CV 1 OR { 2717} (( segid " " and resid 1731 and name HA )) ( segid " " and resid 1735 and name HB% ) ASSI { 2728} (( segid " " and resid 1732 and name HA )) (( segid " " and resid 1732 and name H )) 2.700 0.900 0.900 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.42802E-02 ppm1 4.173 ppm2 7.991 CV 1 OR { 2728} (( segid " " and resid 1732 and name HA )) (( segid " " and resid 1733 and name H )) ASSI { 2787} (( segid " " and resid 1737 and name HB2 )) (( segid " " and resid 1705 and name HA )) 4.200 2.200 1.800 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.10261E-02 ppm1 3.088 ppm2 3.935 CV 1 OR { 2787} (( segid " " and resid 1785 and name HB3 )) (( segid " " and resid 1786 and name HD3 )) ASSI { 2813} (( segid " " and resid 1738 and name HB2 )) (( segid " " and resid 1739 and name H )) 3.200 1.300 1.300 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.29630E-02 ppm1 3.151 ppm2 8.891 CV 1 OR { 2813} (( segid " " and resid 1777 and name HB3 )) (( segid " " and resid 1777 and name H )) ASSI { 2912} (( segid " " and resid 1746 and name HA )) ( segid " " and resid 1749 and name HB% ) 2.600 0.900 0.900 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.44123E-02 ppm1 3.492 ppm2 1.587 CV 1 OR { 2912} (( segid " " and resid 1746 and name HA )) ( segid " " and resid 1678 and name HB% ) ASSI { 2915} (( segid " " and resid 1706 and name HB )) ( segid " " and resid 1705 and name HB% ) 3.700 1.700 1.700 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.21503E-02 ppm1 2.088 ppm2 1.570 CV 1 OR { 2915} (( segid " " and resid 1746 and name HB )) ( segid " " and resid 1745 and name HB% ) ASSI { 2924} (( segid " " and resid 1747 and name HA3 )) ( segid " " and resid 1698 and name HD2%) 2.900 1.100 1.100 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.26379E-02 ppm1 3.729 ppm2 0.987 CV 1 OR { 2924} (( segid " " and resid 1747 and name HA2 )) ( segid " " and resid 1698 and name HD2%) OR { 2924} (( segid " " and resid 1747 and name HA3 )) ( segid " " and resid 1746 and name HG2%) ASSI { 2926} (( segid " " and resid 1747 and name HA2 )) ( segid " " and resid 1749 and name HB% ) 3.600 1.600 1.600 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.86689E-03 ppm1 3.735 ppm2 1.575 CV 1 OR { 2926} (( segid " " and resid 1747 and name HA3 )) (( segid " " and resid 1751 and name HD2 )) OR { 2926} (( segid " " and resid 1747 and name HA2 )) (( segid " " and resid 1751 and name HD2 )) OR { 2926} (( segid " " and resid 1747 and name HA3 )) ( segid " " and resid 1749 and name HB% ) ASSI { 2952} (( segid " " and resid 1759 and name HA )) (( segid " " and resid 1762 and name HB2 )) 2.800 1.000 1.000 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.60140E-02 ppm1 4.278 ppm2 2.029 CV 1 OR { 2952} (( segid " " and resid 1759 and name HA )) (( segid " " and resid 1759 and name HB2 )) ASSI { 2956} ( segid " " and resid 1706 and name HG2%) (( segid " " and resid 1810 and name HG )) 2.700 0.900 0.900 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.62409E-02 ppm1 0.979 ppm2 1.580 CV 1 OR { 2956} ( segid " " and resid 1706 and name HG2%) ( segid " " and resid 1705 and name HB% ) ASSI { 3018} (( segid " " and resid 1771 and name HA )) (( segid " " and resid 1803 and name HB3 )) 4.200 2.200 1.800 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.42667E-03 ppm1 4.320 ppm2 2.068 CV 1 OR { 3018} (( segid " " and resid 1752 and name HA )) (( segid " " and resid 1695 and name HG2 )) OR { 3018} (( segid " " and resid 1771 and name HA )) ( segid " " and resid 1803 and name HE% ) ASSI { 3026} ( segid " " and resid 1752 and name HG2%) (( segid " " and resid 1757 and name HB3 )) 2.500 0.800 0.800 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.80695E-02 ppm1 1.336 ppm2 2.137 CV 1 OR { 3026} ( segid " " and resid 1752 and name HG2%) (( segid " " and resid 1758 and name HG3 )) ASSI { 3120} (( segid " " and resid 1812 and name HA )) (( segid " " and resid 1814 and name H )) 3.500 1.600 1.600 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.94140E-03 ppm1 3.966 ppm2 8.479 CV 1 OR { 3120} (( segid " " and resid 1700 and name HA )) (( segid " " and resid 1703 and name H )) ASSI { 3129} (( segid " " and resid 1700 and name HA )) ( segid " " and resid 1700 and name HG2%) 2.500 0.800 0.800 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.65321E-02 ppm1 3.962 ppm2 1.265 CV 1 OR { 3129} (( segid " " and resid 1812 and name HA )) ( segid " " and resid 1812 and name HG2%) ASSI { 3134} (( segid " " and resid 1701 and name HB3 )) (( segid " " and resid 1701 and name HB2 )) 1.900 0.400 0.400 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.14422E-01 ppm1 2.041 ppm2 2.337 CV 1 OR { 3134} (( segid " " and resid 1756 and name HG3 )) (( segid " " and resid 1756 and name HB2 )) ASSI { 3145} (( segid " " and resid 1805 and name HA )) ( segid " " and resid 1804 and name HG2%) 2.700 0.900 0.900 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.38401E-02 ppm1 4.061 ppm2 1.287 CV 1 OR { 3145} (( segid " " and resid 1701 and name HA )) ( segid " " and resid 1700 and name HG2%) ASSI { 3147} (( segid " " and resid 1702 and name HB2 )) ( segid " " and resid 1706 and name HG2%) 3.300 1.400 1.400 peak 3147 spectrum 1 weight 0.10000E+01 volume 0.31932E-02 ppm1 2.334 ppm2 0.988 CV 1 OR { 3147} (( segid " " and resid 1702 and name HB2 )) ( segid " " and resid 1741 and name HD2%) OR { 3147} (( segid " " and resid 1702 and name HG3 )) ( segid " " and resid 1741 and name HD2%) ASSI { 3153} (( segid " " and resid 1701 and name HB2 )) (( segid " " and resid 1701 and name HA )) 2.600 0.900 0.900 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.38908E-02 ppm1 2.339 ppm2 4.063 CV 1 OR { 3153} (( segid " " and resid 1701 and name HB2 )) (( segid " " and resid 1698 and name HA )) ASSI { 3155} (( segid " " and resid 1701 and name HG2 )) (( segid " " and resid 1701 and name HA )) 2.900 1.100 1.100 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.33660E-02 ppm1 2.606 ppm2 4.063 CV 1 OR { 3155} (( segid " " and resid 1677 and name HG2 )) (( segid " " and resid 1677 and name HA )) ASSI { 3158} (( segid " " and resid 1702 and name HB2 )) (( segid " " and resid 1699 and name HA )) 3.100 1.200 1.200 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.18591E-02 ppm1 2.337 ppm2 4.215 CV 1 OR { 3158} (( segid " " and resid 1702 and name HG3 )) (( segid " " and resid 1699 and name HA )) OR { 3158} (( segid " " and resid 1702 and name HG3 )) (( segid " " and resid 1744 and name HA )) ASSI { 3162} (( segid " " and resid 1701 and name HB3 )) (( segid " " and resid 1702 and name H )) 2.600 0.900 0.900 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.29934E-02 ppm1 2.042 ppm2 8.306 CV 1 OR { 3162} (( segid " " and resid 1701 and name HB3 )) (( segid " " and resid 1701 and name H )) ASSI { 3163} (( segid " " and resid 1701 and name HB2 )) (( segid " " and resid 1701 and name H )) 2.600 0.800 0.800 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.43479E-02 ppm1 2.340 ppm2 8.306 CV 1 OR { 3163} (( segid " " and resid 1701 and name HB2 )) (( segid " " and resid 1702 and name H )) ASSI { 3181} ( segid " " and resid 1659 and name HD2%) (( segid " " and resid 1659 and name HA )) 4.200 2.200 1.800 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.10633E-02 ppm1 0.907 ppm2 4.122 CV 1 OR { 3181} ( segid " " and resid 1768 and name HD2%) (( segid " " and resid 1768 and name HA )) ASSI { 3182} (( segid " " and resid 1708 and name HB2 )) (( segid " " and resid 1705 and name HA )) 3.100 1.200 1.200 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.17405E-02 ppm1 0.952 ppm2 3.938 CV 1 OR { 3182} (( segid " " and resid 1708 and name HB2 )) (( segid " " and resid 1708 and name HA )) ASSI { 3192} ( segid " " and resid 1768 and name HD2%) ( segid " " and resid 1768 and name HD1%) 2.200 0.600 0.600 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.79239E-02 ppm1 0.910 ppm2 1.064 CV 1 OR { 3192} ( segid " " and resid 1768 and name HD2%) ( segid " " and resid 1807 and name HG2%) ASSI { 3197} ( segid " " and resid 1775 and name HD2%) (( segid " " and resid 1775 and name HB2 )) 2.200 0.600 0.600 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.99421E-02 ppm1 0.883 ppm2 1.362 CV 1 OR { 3197} ( segid " " and resid 1775 and name HD2%) ( segid " " and resid 1779 and name HB% ) ASSI { 3198} ( segid " " and resid 1776 and name HD2%) ( segid " " and resid 1772 and name HB% ) 2.900 1.000 1.000 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.36842E-02 ppm1 0.884 ppm2 1.277 CV 1 OR { 3198} ( segid " " and resid 1775 and name HD2%) ( segid " " and resid 1778 and name HG2%) OR { 3198} ( segid " " and resid 1775 and name HD2%) ( segid " " and resid 1772 and name HB% ) ASSI { 3258} (( segid " " and resid 1741 and name HB2 )) (( segid " " and resid 1741 and name H )) 2.500 0.800 0.800 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.24652E-02 ppm1 2.040 ppm2 7.425 CV 1 OR { 3258} (( segid " " and resid 1762 and name HB2 )) (( segid " " and resid 1762 and name H )) ASSI { 3269} (( segid " " and resid 1762 and name HB2 )) (( segid " " and resid 1759 and name HA )) 2.700 0.900 0.900 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.20927E-02 ppm1 2.043 ppm2 4.265 CV 1 OR { 3269} (( segid " " and resid 1741 and name HB2 )) (( segid " " and resid 1738 and name HA )) ASSI { 3273} ( segid " " and resid 1741 and name HD1%) (( segid " " and resid 1702 and name HA )) 4.100 2.100 1.900 peak 3273 spectrum 1 weight 0.10000E+01 volume 0.65016E-03 ppm1 0.698 ppm2 3.860 CV 1 OR { 3273} ( segid " " and resid 1741 and name HD1%) (( segid " " and resid 1769 and name HA )) ASSI { 3279} (( segid " " and resid 1733 and name HA )) (( segid " " and resid 1733 and name HB3 )) 2.100 0.600 0.600 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.84961E-02 ppm1 3.932 ppm2 2.057 CV 1 OR { 3279} (( segid " " and resid 1672 and name HA )) (( segid " " and resid 1675 and name HB2 )) ASSI { 3280} (( segid " " and resid 1672 and name HA )) (( segid " " and resid 1672 and name HB2 )) 2.400 0.700 0.700 peak 3280 spectrum 1 weight 0.10000E+01 volume 0.68739E-02 ppm1 3.950 ppm2 1.955 CV 1 OR { 3280} (( segid " " and resid 1776 and name HA )) (( segid " " and resid 1776 and name HB2 )) OR { 3280} (( segid " " and resid 1776 and name HA )) (( segid " " and resid 1776 and name HG )) ASSI { 3298} (( segid " " and resid 1741 and name HB2 )) ( segid " " and resid 1741 and name HD2%) 3.300 1.300 1.300 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.22620E-02 ppm1 2.047 ppm2 0.983 CV 1 OR { 3298} (( segid " " and resid 1675 and name HB2 )) ( segid " " and resid 1672 and name HD1%) ASSI { 3303} (( segid " " and resid 1762 and name HB2 )) ( segid " " and resid 1762 and name HD2%) 2.600 0.800 0.800 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.32779E-02 ppm1 2.049 ppm2 0.790 CV 1 OR { 3303} (( segid " " and resid 1675 and name HB2 )) ( segid " " and resid 1675 and name HD1%) ASSI { 3306} (( segid " " and resid 1741 and name HA )) ( segid " " and resid 1741 and name HD1%) 3.600 1.600 1.600 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.19945E-02 ppm1 3.968 ppm2 0.704 CV 1 OR { 3306} (( segid " " and resid 1776 and name HA )) ( segid " " and resid 1716 and name HD2%) ASSI { 3326} (( segid " " and resid 1737 and name HB2 )) (( segid " " and resid 1734 and name HA )) 3.600 1.600 1.600 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.89057E-03 ppm1 3.083 ppm2 4.050 CV 1 OR { 3326} (( segid " " and resid 1785 and name HB3 )) (( segid " " and resid 1786 and name HD2 )) ASSI { 3328} (( segid " " and resid 1737 and name HB2 )) (( segid " " and resid 1740 and name HG2 )) 3.800 1.800 1.800 peak 3328 spectrum 1 weight 0.10000E+01 volume 0.92446E-03 ppm1 3.084 ppm2 2.307 CV 1 OR { 3328} (( segid " " and resid 1785 and name HB3 )) (( segid " " and resid 1788 and name HB2 )) ASSI { 3329} (( segid " " and resid 1785 and name HB3 )) (( segid " " and resid 1788 and name HB3 )) 3.900 1.900 1.900 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.10226E-02 ppm1 3.085 ppm2 2.144 CV 1 OR { 3329} (( segid " " and resid 1737 and name HB2 )) (( segid " " and resid 1740 and name HG3 )) ASSI { 3342} (( segid " " and resid 1708 and name HA )) (( segid " " and resid 1708 and name H )) 2.600 0.900 0.900 peak 3342 spectrum 1 weight 0.10000E+01 volume 0.41651E-02 ppm1 3.934 ppm2 7.749 CV 1 OR { 3342} (( segid " " and resid 1672 and name HA )) (( segid " " and resid 1673 and name H )) ASSI { 3348} (( segid " " and resid 1672 and name HB2 )) (( segid " " and resid 1672 and name HA )) 2.800 1.000 1.000 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.28987E-02 ppm1 1.944 ppm2 3.945 CV 1 OR { 3348} (( segid " " and resid 1776 and name HB2 )) (( segid " " and resid 1776 and name HA )) ASSI { 3358} ( segid " " and resid 1712 and name HD2%) (( segid " " and resid 1712 and name HB2 )) 2.500 0.800 0.800 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.76122E-02 ppm1 0.994 ppm2 1.939 CV 1 OR { 3358} ( segid " " and resid 1672 and name HD1%) (( segid " " and resid 1672 and name HB2 )) ASSI { 3388} (( segid " " and resid 1777 and name HA )) (( segid " " and resid 1780 and name HB2 )) 2.600 0.800 0.800 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.36944E-02 ppm1 4.220 ppm2 2.088 CV 1 OR { 3388} (( segid " " and resid 1670 and name HA )) (( segid " " and resid 1673 and name HB2 )) ASSI { 3390} (( segid " " and resid 1777 and name HA )) (( segid " " and resid 1780 and name HD3 )) 3.200 1.300 1.300 peak 3390 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 4.216 ppm2 1.650 CV 1 OR { 3390} (( segid " " and resid 1670 and name HA )) (( segid " " and resid 1673 and name HG3 )) ASSI { 3404} (( segid " " and resid 1671 and name HB3 )) (( segid " " and resid 1675 and name HG )) 4.200 2.200 1.800 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.38603E-03 ppm1 3.247 ppm2 1.949 CV 1 OR { 3404} (( segid " " and resid 1671 and name HB2 )) (( segid " " and resid 1675 and name HG )) OR { 3404} (( segid " " and resid 1671 and name HB2 )) (( segid " " and resid 1672 and name HB2 )) ASSI { 3406} (( segid " " and resid 1710 and name HB2 )) (( segid " " and resid 1804 and name HA )) 3.000 1.100 1.100 peak 3406 spectrum 1 weight 0.10000E+01 volume 0.25939E-02 ppm1 4.001 ppm2 3.788 CV 1 OR { 3406} (( segid " " and resid 1710 and name HB2 )) (( segid " " and resid 1707 and name HA )) ASSI { 3450} (( segid " " and resid 1793 and name HB3 )) (( segid " " and resid 1793 and name HA )) 2.400 0.700 0.700 peak 3450 spectrum 1 weight 0.10000E+01 volume 0.68168E-02 ppm1 2.256 ppm2 4.055 CV 1 OR { 3450} (( segid " " and resid 1677 and name HB2 )) (( segid " " and resid 1677 and name HA )) ASSI { 3454} (( segid " " and resid 1713 and name HB )) ( segid " " and resid 1800 and name HG2%) 4.600 2.600 1.400 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.73822E-03 ppm1 1.924 ppm2 0.895 CV 1 OR { 3454} (( segid " " and resid 1713 and name HB )) ( segid " " and resid 1807 and name HG1%) ASSI { 3482} (( segid " " and resid 1786 and name HD3 )) (( segid " " and resid 1722 and name HA )) 3.400 1.400 1.400 peak 3482 spectrum 1 weight 0.10000E+01 volume 0.10633E-02 ppm1 3.943 ppm2 4.575 CV 1 OR { 3482} (( segid " " and resid 1786 and name HD3 )) (( segid " " and resid 1786 and name HA )) ASSI { 3483} (( segid " " and resid 1786 and name HD2 )) (( segid " " and resid 1786 and name HA )) 3.700 1.800 1.800 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.12800E-02 ppm1 4.058 ppm2 4.571 CV 1 OR { 3483} (( segid " " and resid 1786 and name HD2 )) (( segid " " and resid 1722 and name HA )) ASSI { 3537} (( segid " " and resid 1675 and name HA )) ( segid " " and resid 1746 and name HG1%) 3.100 1.200 1.200 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.24821E-02 ppm1 4.013 ppm2 1.030 CV 1 OR { 3537} (( segid " " and resid 1775 and name HA )) ( segid " " and resid 1775 and name HD1%) ASSI { 3549} ( segid " " and resid 1675 and name HD1%) ( segid " " and resid 1769 and name HB% ) 2.500 0.800 0.800 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.88717E-02 ppm1 0.799 ppm2 1.328 CV 1 OR { 3549} ( segid " " and resid 1675 and name HD1%) ( segid " " and resid 1742 and name HG2%) ASSI { 3550} ( segid " " and resid 1687 and name HD2%) ( segid " " and resid 1681 and name HB% ) 2.100 0.600 0.600 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.11442E-01 ppm1 0.958 ppm2 1.396 CV 1 OR { 3550} ( segid " " and resid 1675 and name HD2%) (( segid " " and resid 1675 and name HB3 )) ASSI { 3554} ( segid " " and resid 1675 and name HD2%) ( segid " " and resid 1765 and name HG2%) 3.200 1.300 1.300 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.14460E-02 ppm1 0.956 ppm2 1.135 CV 1 OR { 3554} ( segid " " and resid 1810 and name HD1%) ( segid " " and resid 1765 and name HG2%) ASSI { 3570} (( segid " " and resid 1669 and name HB2 )) ( segid " " and resid 1666 and name HB% ) 3.900 1.900 1.900 peak 3570 spectrum 1 weight 0.10000E+01 volume 0.40296E-03 ppm1 2.683 ppm2 1.551 CV 1 OR { 3570} (( segid " " and resid 1669 and name HB2 )) (( segid " " and resid 1773 and name HG )) ASSI { 3571} (( segid " " and resid 1669 and name HB3 )) ( segid " " and resid 1666 and name HB% ) 3.900 1.900 1.900 peak 3571 spectrum 1 weight 0.10000E+01 volume 0.60953E-03 ppm1 2.974 ppm2 1.557 CV 1 OR { 3571} (( segid " " and resid 1815 and name HB2 )) (( segid " " and resid 1703 and name HG )) ASSI { 3576} (( segid " " and resid 1815 and name HB2 )) ( segid " " and resid 1703 and name HD2%) 4.600 2.700 1.400 peak 3576 spectrum 1 weight 0.10000E+01 volume 0.45376E-03 ppm1 2.982 ppm2 0.903 CV 1 OR { 3576} (( segid " " and resid 1669 and name HB3 )) ( segid " " and resid 1672 and name HD2%) ASSI { 3595} (( segid " " and resid 1758 and name HB3 )) (( segid " " and resid 1758 and name HB2 )) 1.800 0.400 0.400 peak 3595 spectrum 1 weight 0.10000E+01 volume 0.10714E-01 ppm1 2.305 ppm2 2.401 CV 1 OR { 3595} (( segid " " and resid 1788 and name HB2 )) (( segid " " and resid 1788 and name HG2 )) ASSI { 3655} (( segid " " and resid 1773 and name HA )) ( segid " " and resid 1772 and name HB% ) 4.000 2.000 2.000 peak 3655 spectrum 1 weight 0.10000E+01 volume 0.14358E-02 ppm1 3.730 ppm2 1.282 CV 1 OR { 3655} (( segid " " and resid 1773 and name HA )) (( segid " " and resid 1668 and name HB2 )) ASSI { 3660} (( segid " " and resid 1773 and name HB2 )) ( segid " " and resid 1772 and name HB% ) 3.400 1.400 1.400 peak 3660 spectrum 1 weight 0.10000E+01 volume 0.22011E-02 ppm1 1.770 ppm2 1.282 CV 1 OR { 3660} (( segid " " and resid 1703 and name HB3 )) ( segid " " and resid 1700 and name HG2%) ASSI { 3678} ( segid " " and resid 1796 and name HD2%) (( segid " " and resid 1779 and name HA )) 2.700 0.900 0.900 peak 3678 spectrum 1 weight 0.10000E+01 volume 0.40703E-02 ppm1 0.837 ppm2 3.966 CV 1 OR { 3678} ( segid " " and resid 1773 and name HD2%) (( segid " " and resid 1770 and name HA )) ASSI { 3684} ( segid " " and resid 1773 and name HD1%) ( segid " " and resid 1773 and name HD2%) 1.900 0.400 0.400 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.28333E-01 ppm1 0.926 ppm2 0.843 CV 1 OR { 3684} ( segid " " and resid 1773 and name HD1%) ( segid " " and resid 1665 and name HG2%) ASSI { 3699} ( segid " " and resid 1743 and name HD1%) (( segid " " and resid 1743 and name HG )) 2.200 0.600 0.600 peak 3699 spectrum 1 weight 0.10000E+01 volume 0.12326E-01 ppm1 0.910 ppm2 1.708 CV 1 OR { 3699} ( segid " " and resid 1680 and name HD2%) (( segid " " and resid 1680 and name HG )) ASSI { 3720} ( segid " " and resid 1762 and name HD2%) (( segid " " and resid 1679 and name H )) 2.800 1.000 1.000 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.32339E-02 ppm1 0.763 ppm2 8.476 CV 1 OR { 3720} ( segid " " and resid 1814 and name HD1%) (( segid " " and resid 1703 and name H )) OR { 3720} ( segid " " and resid 1814 and name HD1%) (( segid " " and resid 1814 and name H )) ASSI { 3732} (( segid " " and resid 1762 and name HG )) ( segid " " and resid 1678 and name HB% ) 3.300 1.400 1.400 peak 3732 spectrum 1 weight 0.10000E+01 volume 0.29664E-02 ppm1 1.811 ppm2 1.586 CV 1 OR { 3732} (( segid " " and resid 1762 and name HG )) ( segid " " and resid 1749 and name HB% ) ASSI { 3785} (( segid " " and resid 1766 and name HB2 )) (( segid " " and resid 1766 and name HG2 )) 2.600 0.800 0.800 peak 3785 spectrum 1 weight 0.10000E+01 volume 0.21808E-02 ppm1 1.922 ppm2 1.375 CV 1 OR { 3785} (( segid " " and resid 1766 and name HB2 )) (( segid " " and resid 1675 and name HB3 )) ASSI { 3790} (( segid " " and resid 1766 and name HD2 )) (( segid " " and resid 1766 and name HG2 )) 2.500 0.800 0.800 peak 3790 spectrum 1 weight 0.10000E+01 volume 0.46155E-02 ppm1 1.705 ppm2 1.374 CV 1 OR { 3790} (( segid " " and resid 1766 and name HD2 )) (( segid " " and resid 1675 and name HB3 )) OR { 3790} (( segid " " and resid 1766 and name HD3 )) (( segid " " and resid 1766 and name HG2 )) ASSI { 3814} (( segid " " and resid 1766 and name HB3 )) (( segid " " and resid 1766 and name HB2 )) 1.900 0.400 0.400 peak 3814 spectrum 1 weight 0.10000E+01 volume 0.88588E-02 ppm1 2.190 ppm2 1.925 CV 1 OR { 3814} (( segid " " and resid 1652 and name HB2 )) (( segid " " and resid 1652 and name HG2 )) ASSI { 3843} (( segid " " and resid 1766 and name HG3 )) (( segid " " and resid 1767 and name H )) 4.600 2.600 1.400 peak 3843 spectrum 1 weight 0.10000E+01 volume 0.29461E-03 ppm1 1.507 ppm2 8.722 CV 1 OR { 3843} (( segid " " and resid 1766 and name HG3 )) (( segid " " and resid 1676 and name H )) ASSI { 3878} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1772 and name H )) 3.300 1.400 1.400 peak 3878 spectrum 1 weight 0.10000E+01 volume 0.18794E-02 ppm1 1.059 ppm2 8.493 CV 1 OR { 3878} ( segid " " and resid 1768 and name HD1%) (( segid " " and resid 1769 and name H )) ASSI { 3900} (( segid " " and resid 1768 and name HB3 )) (( segid " " and resid 1768 and name HB2 )) 2.000 0.500 0.500 peak 3900 spectrum 1 weight 0.10000E+01 volume 0.56280E-02 ppm1 2.361 ppm2 1.492 CV 1 OR { 3900} (( segid " " and resid 1775 and name HB3 )) (( segid " " and resid 1775 and name HG )) ASSI { 3929} (( segid " " and resid 1771 and name HB3 )) (( segid " " and resid 1803 and name HA )) 2.500 0.800 0.800 peak 3929 spectrum 1 weight 0.10000E+01 volume 0.40805E-02 ppm1 3.833 ppm2 4.336 CV 1 OR { 3929} (( segid " " and resid 1771 and name HB3 )) (( segid " " and resid 1771 and name HA )) ASSI { 3930} (( segid " " and resid 1771 and name HB2 )) (( segid " " and resid 1771 and name HA )) 2.800 1.000 1.000 peak 3930 spectrum 1 weight 0.10000E+01 volume 0.27327E-02 ppm1 4.085 ppm2 4.337 CV 1 OR { 3930} (( segid " " and resid 1771 and name HB2 )) (( segid " " and resid 1803 and name HA )) ASSI { 3961} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1803 and name HG2 )) 3.800 1.800 1.800 peak 3961 spectrum 1 weight 0.10000E+01 volume 0.89738E-03 ppm1 1.277 ppm2 2.491 CV 1 OR { 3961} ( segid " " and resid 1772 and name HB% ) (( segid " " and resid 1734 and name HG3 )) ASSI { 3977} (( segid " " and resid 1801 and name HG3 )) (( segid " " and resid 1801 and name HE21)) 2.900 1.100 1.100 peak 3977 spectrum 1 weight 0.10000E+01 volume 0.17033E-02 ppm1 2.445 ppm2 7.718 CV 1 OR { 3977} (( segid " " and resid 1774 and name HG3 )) (( segid " " and resid 1774 and name HE21)) OR { 3977} (( segid " " and resid 1801 and name HG2 )) (( segid " " and resid 1801 and name HE21)) ASSI { 3991} ( segid " " and resid 1775 and name HD2%) (( segid " " and resid 1775 and name H )) 3.600 1.700 1.700 peak 3991 spectrum 1 weight 0.10000E+01 volume 0.22553E-02 ppm1 0.879 ppm2 8.157 CV 1 OR { 3991} ( segid " " and resid 1775 and name HD2%) (( segid " " and resid 1799 and name H )) ASSI { 4018} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1734 and name HB3 )) 3.900 1.900 1.900 peak 4018 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 1.027 ppm2 2.135 CV 1 OR { 4018} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1803 and name HB2 )) ASSI { 4021} ( segid " " and resid 1775 and name HD1%) ( segid " " and resid 1779 and name HB% ) 2.700 0.900 0.900 peak 4021 spectrum 1 weight 0.10000E+01 volume 0.46290E-02 ppm1 1.024 ppm2 1.350 CV 1 OR { 4021} ( segid " " and resid 1775 and name HD1%) (( segid " " and resid 1775 and name HB2 )) ASSI { 4025} ( segid " " and resid 1775 and name HD1%) ( segid " " and resid 1716 and name HD1%) 2.000 0.500 0.500 peak 4025 spectrum 1 weight 0.10000E+01 volume 0.12418E-01 ppm1 1.025 ppm2 0.883 CV 1 OR { 4025} ( segid " " and resid 1775 and name HD1%) ( segid " " and resid 1775 and name HD2%) ASSI { 4040} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1661 and name HA )) 3.800 1.800 1.800 peak 4040 spectrum 1 weight 0.10000E+01 volume 0.12292E-02 ppm1 0.792 ppm2 4.125 CV 1 OR { 4040} ( segid " " and resid 1776 and name HD1%) (( segid " " and resid 1664 and name HA )) ASSI { 4042} (( segid " " and resid 1672 and name HB2 )) (( segid " " and resid 1673 and name HA )) 4.200 2.200 1.800 peak 4042 spectrum 1 weight 0.10000E+01 volume 0.44022E-03 ppm1 1.958 ppm2 4.213 CV 1 OR { 4042} (( segid " " and resid 1776 and name HB2 )) (( segid " " and resid 1777 and name HA )) ASSI { 4060} (( segid " " and resid 1776 and name HA )) (( segid " " and resid 1776 and name HB3 )) 2.400 0.700 0.700 peak 4060 spectrum 1 weight 0.10000E+01 volume 0.47882E-02 ppm1 3.943 ppm2 1.186 CV 1 OR { 4060} (( segid " " and resid 1708 and name HA )) (( segid " " and resid 1708 and name HB3 )) ASSI { 4096} (( segid " " and resid 1778 and name HA )) (( segid " " and resid 1796 and name HB2 )) 4.200 2.200 1.800 peak 4096 spectrum 1 weight 0.10000E+01 volume 0.74162E-03 ppm1 4.063 ppm2 1.573 CV 1 OR { 4096} (( segid " " and resid 1778 and name HA )) ( segid " " and resid 1799 and name HB% ) ASSI { 4127} (( segid " " and resid 1780 and name HE2 )) ( segid " " and resid 1653 and name HE% ) 4.200 2.200 1.800 peak 4127 spectrum 1 weight 0.10000E+01 volume 0.12529E-03 ppm1 3.086 ppm2 7.393 CV 1 OR { 4127} (( segid " " and resid 1780 and name HE2 )) (( segid " " and resid 1781 and name H )) ASSI { 4137} (( segid " " and resid 1780 and name HD3 )) (( segid " " and resid 1662 and name HA )) 3.600 1.700 1.700 peak 4137 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 1.673 ppm2 3.973 CV 1 OR { 4137} (( segid " " and resid 1780 and name HD3 )) (( segid " " and resid 1780 and name HA )) ASSI { 4139} (( segid " " and resid 1780 and name HD2 )) (( segid " " and resid 1662 and name HA )) 3.200 1.200 1.200 peak 4139 spectrum 1 weight 0.10000E+01 volume 0.96168E-03 ppm1 1.581 ppm2 3.972 CV 1 OR { 4139} (( segid " " and resid 1780 and name HD2 )) (( segid " " and resid 1780 and name HA )) ASSI { 4177} (( segid " " and resid 1780 and name HE3 )) (( segid " " and resid 1780 and name HB3 )) 4.000 2.000 2.000 peak 4177 spectrum 1 weight 0.10000E+01 volume 0.85335E-03 ppm1 2.978 ppm2 1.925 CV 1 OR { 4177} (( segid " " and resid 1766 and name HE2 )) (( segid " " and resid 1766 and name HB2 )) ASSI { 4191} (( segid " " and resid 1770 and name HA )) ( segid " " and resid 1769 and name HB% ) 3.200 1.300 1.300 peak 4191 spectrum 1 weight 0.10000E+01 volume 0.17948E-02 ppm1 3.965 ppm2 1.342 CV 1 OR { 4191} (( segid " " and resid 1780 and name HA )) ( segid " " and resid 1779 and name HB% ) ASSI { 4277} (( segid " " and resid 1736 and name HG3 )) (( segid " " and resid 1736 and name HA )) 3.700 1.700 1.700 peak 4277 spectrum 1 weight 0.10000E+01 volume 0.84321E-03 ppm1 2.192 ppm2 4.075 CV 1 OR { 4277} (( segid " " and resid 1802 and name HB3 )) (( segid " " and resid 1771 and name HB2 )) ASSI { 4295} (( segid " " and resid 1811 and name HA )) (( segid " " and resid 1811 and name H )) 3.000 1.100 1.100 peak 4295 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 3.636 ppm2 8.474 CV 1 OR { 4295} (( segid " " and resid 1811 and name HA )) (( segid " " and resid 1814 and name H )) ASSI { 4307} (( segid " " and resid 1811 and name HA )) ( segid " " and resid 1703 and name HD2%) 3.300 1.400 1.400 peak 4307 spectrum 1 weight 0.10000E+01 volume 0.13105E-02 ppm1 3.635 ppm2 0.903 CV 1 OR { 4307} (( segid " " and resid 1811 and name HA )) ( segid " " and resid 1706 and name HG1%) ASSI { 4337} (( segid " " and resid 1661 and name HA )) ( segid " " and resid 1776 and name HD1%) 4.100 2.100 1.900 peak 4337 spectrum 1 weight 0.10000E+01 volume 0.68739E-03 ppm1 4.127 ppm2 0.809 CV 1 OR { 4337} (( segid " " and resid 1661 and name HA )) ( segid " " and resid 1727 and name HD1%) ASSI { 4349} (( segid " " and resid 1661 and name HA )) (( segid " " and resid 1776 and name HA )) 4.100 2.100 1.900 peak 4349 spectrum 1 weight 0.10000E+01 volume 0.44360E-03 ppm1 4.137 ppm2 3.956 CV 1 OR { 4349} (( segid " " and resid 1661 and name HA )) (( segid " " and resid 1660 and name HA )) ASSI { 4386} (( segid " " and resid 1708 and name HG3 )) (( segid " " and resid 1705 and name HA )) 3.200 1.300 1.300 peak 4386 spectrum 1 weight 0.10000E+01 volume 0.21164E-02 ppm1 2.028 ppm2 3.937 CV 1 OR { 4386} (( segid " " and resid 1708 and name HG3 )) (( segid " " and resid 1708 and name HA )) ASSI { 4455} (( segid " " and resid 1702 and name HB3 )) ( segid " " and resid 1741 and name HD2%) 3.100 1.200 1.200 peak 4455 spectrum 1 weight 0.10000E+01 volume 0.11581E-02 ppm1 1.974 ppm2 0.987 CV 1 OR { 4455} (( segid " " and resid 1702 and name HB3 )) ( segid " " and resid 1706 and name HG2%) ASSI { 4491} (( segid " " and resid 1730 and name HG2 )) (( segid " " and resid 1726 and name HB2 )) 4.400 2.400 1.600 peak 4491 spectrum 1 weight 0.10000E+01 volume 0.52826E-03 ppm1 1.758 ppm2 2.357 CV 1 OR { 4491} (( segid " " and resid 1730 and name HG2 )) (( segid " " and resid 1715 and name HG2 )) ASSI { 4497} (( segid " " and resid 1730 and name HG3 )) (( segid " " and resid 1716 and name HA )) 2.900 1.100 1.100 peak 4497 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 1.461 ppm2 3.861 CV 1 OR { 4497} (( segid " " and resid 1730 and name HG3 )) (( segid " " and resid 1727 and name HA )) ASSI { 4544} ( segid " " and resid 1742 and name HG2%) (( segid " " and resid 1743 and name H )) 2.800 1.000 1.000 peak 4544 spectrum 1 weight 0.10000E+01 volume 0.40601E-02 ppm1 1.317 ppm2 8.192 CV 1 OR { 4544} ( segid " " and resid 1742 and name HG2%) (( segid " " and resid 1746 and name H )) ASSI { 4617} (( segid " " and resid 1716 and name HG )) (( segid " " and resid 1716 and name HB3 )) 3.400 1.400 1.400 peak 4617 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 1.536 ppm2 2.010 CV 1 OR { 4617} (( segid " " and resid 1716 and name HG )) ( segid " " and resid 1734 and name HE% ) ASSI { 4646} (( segid " " and resid 1793 and name HG2 )) (( segid " " and resid 1790 and name HA )) 3.100 1.200 1.200 peak 4646 spectrum 1 weight 0.10000E+01 volume 0.19505E-02 ppm1 2.399 ppm2 4.191 CV 1 OR { 4646} (( segid " " and resid 1686 and name HG3 )) (( segid " " and resid 1685 and name HA )) ASSI { 4663} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1803 and name HG2 )) 2.000 0.500 0.500 peak 4663 spectrum 1 weight 0.10000E+01 volume 0.76020E-02 ppm1 2.061 ppm2 2.488 CV 1 OR { 4663} ( segid " " and resid 1803 and name HE% ) (( segid " " and resid 1734 and name HG3 )) ASSI { 4687} (( segid " " and resid 1733 and name HG2 )) (( segid " " and resid 1733 and name HE22)) 4.100 2.100 1.900 peak 4687 spectrum 1 weight 0.10000E+01 volume 0.11073E-02 ppm1 2.376 ppm2 6.768 CV 1 OR { 4687} (( segid " " and resid 1733 and name HG2 )) ( segid " " and resid 1737 and name HE% ) ASSI { 36} (( segid " " and resid 1733 and name H )) (( segid " " and resid 1732 and name HA )) 3.100 1.200 1.200 peak 36 spectrum 1 weight 0.10000E+01 volume 0.17752E-02 ppm1 7.989 ppm2 4.166 CV 1 OR { 36} (( segid " " and resid 1733 and name H )) (( segid " " and resid 1730 and name HA )) ASSI { 37} (( segid " " and resid 1733 and name H )) (( segid " " and resid 1733 and name HA )) 2.400 0.700 0.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.61032E-02 ppm1 7.989 ppm2 3.930 CV 1 OR { 37} (( segid " " and resid 1733 and name H )) (( segid " " and resid 1732 and name HB3 )) ASSI { 50} (( segid " " and resid 1810 and name H )) (( segid " " and resid 1812 and name H )) 3.900 1.900 1.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.58829E-03 ppm1 7.521 ppm2 8.193 CV 1 OR { 50} (( segid " " and resid 1810 and name H )) (( segid " " and resid 1808 and name H )) ASSI { 91} (( segid " " and resid 1807 and name H )) ( segid " " and resid 1807 and name HG1%) 3.500 1.500 1.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.25257E-02 ppm1 8.593 ppm2 0.905 CV 1 OR { 91} (( segid " " and resid 1807 and name H )) ( segid " " and resid 1768 and name HD2%) ASSI { 131} (( segid " " and resid 1806 and name H )) ( segid " " and resid 1768 and name HD2%) 4.900 3.100 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.41367E-03 ppm1 7.953 ppm2 0.906 CV 1 OR { 131} (( segid " " and resid 1806 and name H )) ( segid " " and resid 1807 and name HG1%) ASSI { 172} (( segid " " and resid 1802 and name H )) (( segid " " and resid 1801 and name HB2 )) 2.100 0.600 0.600 peak 172 spectrum 1 weight 0.10000E+01 volume 0.98679E-02 ppm1 8.480 ppm2 2.248 CV 1 OR { 172} (( segid " " and resid 1802 and name H )) (( segid " " and resid 1802 and name HB2 )) ASSI { 195} (( segid " " and resid 1797 and name H )) (( segid " " and resid 1798 and name H )) 2.300 0.700 0.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.70658E-02 ppm1 7.943 ppm2 8.196 CV 1 OR { 195} (( segid " " and resid 1797 and name H )) (( segid " " and resid 1796 and name H )) ASSI { 212} (( segid " " and resid 1782 and name H )) (( segid " " and resid 1783 and name H )) 2.300 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.53715E-02 ppm1 8.079 ppm2 8.552 CV 1 OR { 212} (( segid " " and resid 1801 and name H )) (( segid " " and resid 1800 and name H )) ASSI { 274} (( segid " " and resid 1783 and name H )) (( segid " " and resid 1780 and name HA )) 3.100 1.200 1.200 peak 274 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 8.552 ppm2 3.963 CV 1 OR { 274} (( segid " " and resid 1783 and name H )) (( segid " " and resid 1779 and name HA )) ASSI { 301} (( segid " " and resid 1780 and name H )) ( segid " " and resid 1796 and name HD2%) 4.400 2.400 1.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.49890E-03 ppm1 8.399 ppm2 0.863 CV 1 OR { 301} (( segid " " and resid 1780 and name H )) ( segid " " and resid 1775 and name HD2%) ASSI { 348} (( segid " " and resid 1774 and name H )) (( segid " " and resid 1775 and name H )) 2.400 0.700 0.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.52759E-02 ppm1 7.608 ppm2 8.134 CV 1 OR { 348} (( segid " " and resid 1774 and name H )) (( segid " " and resid 1773 and name H )) ASSI { 378} (( segid " " and resid 1772 and name H )) (( segid " " and resid 1769 and name HA )) 3.000 1.100 1.100 peak 378 spectrum 1 weight 0.10000E+01 volume 0.22284E-02 ppm1 8.473 ppm2 3.842 CV 1 OR { 378} (( segid " " and resid 1772 and name H )) (( segid " " and resid 1771 and name HB3 )) ASSI { 430} (( segid " " and resid 1771 and name H )) ( segid " " and resid 1672 and name HD2%) 4.900 3.000 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.29726E-03 ppm1 8.536 ppm2 0.909 CV 1 OR { 430} (( segid " " and resid 1771 and name H )) ( segid " " and resid 1768 and name HD2%) ASSI { 478} (( segid " " and resid 1767 and name H )) (( segid " " and resid 1766 and name HG3 )) 4.400 2.400 1.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.63402E-03 ppm1 8.713 ppm2 1.489 CV 1 OR { 478} (( segid " " and resid 1767 and name H )) (( segid " " and resid 1768 and name HB2 )) ASSI { 630} (( segid " " and resid 1747 and name H )) ( segid " " and resid 1746 and name HG2%) 3.500 1.500 1.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.23199E-02 ppm1 8.035 ppm2 0.986 CV 1 OR { 630} (( segid " " and resid 1747 and name H )) ( segid " " and resid 1698 and name HD2%) ASSI { 635} (( segid " " and resid 1746 and name H )) (( segid " " and resid 1746 and name HB )) 2.400 0.700 0.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.54838E-02 ppm1 8.206 ppm2 2.089 CV 1 OR { 635} (( segid " " and resid 1661 and name H )) (( segid " " and resid 1660 and name HB2 )) ASSI { 643} (( segid " " and resid 1745 and name H )) ( segid " " and resid 1745 and name HB% ) 2.200 0.600 0.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.10581E-01 ppm1 8.792 ppm2 1.557 CV 1 OR { 643} (( segid " " and resid 1745 and name H )) ( segid " " and resid 1744 and name HB% ) ASSI { 690} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1740 and name HD2 )) 4.200 2.200 1.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.40536E-03 ppm1 7.324 ppm2 3.932 CV 1 OR { 690} (( segid " " and resid 1737 and name H )) (( segid " " and resid 1733 and name HA )) ASSI { 742} (( segid " " and resid 1734 and name H )) ( segid " " and resid 1716 and name HD1%) 4.100 2.100 1.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.95413E-03 ppm1 7.939 ppm2 0.893 CV 1 OR { 742} (( segid " " and resid 1730 and name H )) ( segid " " and resid 1716 and name HD1%) ASSI { 843} (( segid " " and resid 1718 and name H )) ( segid " " and resid 1720 and name HB% ) 4.200 2.200 1.800 peak 843 spectrum 1 weight 0.10000E+01 volume 0.50098E-03 ppm1 8.885 ppm2 1.550 CV 1 OR { 843} (( segid " " and resid 1718 and name H )) (( segid " " and resid 1721 and name HG2 )) ASSI { 853} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1714 and name H )) 4.100 2.100 1.900 peak 853 spectrum 1 weight 0.10000E+01 volume 0.49058E-03 ppm1 8.069 ppm2 8.894 CV 1 OR { 853} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1718 and name H )) ASSI { 854} (( segid " " and resid 1816 and name H )) (( segid " " and resid 1815 and name H )) 2.300 0.600 0.600 peak 854 spectrum 1 weight 0.10000E+01 volume 0.73298E-02 ppm1 8.069 ppm2 8.507 CV 1 OR { 854} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1717 and name H )) ASSI { 861} (( segid " " and resid 1717 and name H )) (( segid " " and resid 1714 and name HA )) 3.200 1.300 1.300 peak 861 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 8.512 ppm2 4.324 CV 1 OR { 861} (( segid " " and resid 1717 and name H )) (( segid " " and resid 1715 and name HA )) ASSI { 869} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1715 and name HB3 )) 3.400 1.400 1.400 peak 869 spectrum 1 weight 0.10000E+01 volume 0.22679E-02 ppm1 8.069 ppm2 1.683 CV 1 OR { 869} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1730 and name HB3 )) ASSI { 873} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1730 and name HG3 )) 3.700 1.700 1.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.13366E-02 ppm1 8.070 ppm2 1.463 CV 1 OR { 873} (( segid " " and resid 1716 and name H )) ( segid " " and resid 1717 and name HB% ) ASSI { 931} (( segid " " and resid 1708 and name H )) (( segid " " and resid 1706 and name H )) 3.900 1.900 1.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.62155E-03 ppm1 7.757 ppm2 8.480 CV 1 OR { 931} (( segid " " and resid 1708 and name H )) (( segid " " and resid 1710 and name H )) ASSI { 950} (( segid " " and resid 1662 and name H )) (( segid " " and resid 1661 and name HA )) 2.900 1.100 1.100 peak 950 spectrum 1 weight 0.10000E+01 volume 0.22845E-02 ppm1 8.258 ppm2 4.121 CV 1 OR { 950} (( segid " " and resid 1662 and name H )) (( segid " " and resid 1659 and name HA )) ASSI { 957} (( segid " " and resid 1707 and name H )) (( segid " " and resid 1707 and name HB3 )) 2.500 0.800 0.800 peak 957 spectrum 1 weight 0.10000E+01 volume 0.76585E-02 ppm1 8.237 ppm2 2.243 CV 1 OR { 957} (( segid " " and resid 1662 and name H )) (( segid " " and resid 1662 and name HB2 )) ASSI { 963} (( segid " " and resid 1707 and name H )) ( segid " " and resid 1706 and name HG1%) 3.000 1.100 1.100 peak 963 spectrum 1 weight 0.10000E+01 volume 0.25028E-02 ppm1 8.235 ppm2 0.902 CV 1 OR { 963} (( segid " " and resid 1707 and name H )) ( segid " " and resid 1703 and name HD2%) ASSI { 974} (( segid " " and resid 1705 and name H )) (( segid " " and resid 1704 and name HA )) 3.100 1.200 1.200 peak 974 spectrum 1 weight 0.10000E+01 volume 0.20122E-02 ppm1 7.450 ppm2 3.871 CV 1 OR { 974} (( segid " " and resid 1705 and name H )) (( segid " " and resid 1702 and name HA )) ASSI { 989} (( segid " " and resid 1698 and name H )) (( segid " " and resid 1700 and name H )) 3.900 1.900 1.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.61739E-03 ppm1 7.846 ppm2 8.326 CV 1 OR { 989} (( segid " " and resid 1698 and name H )) (( segid " " and resid 1701 and name H )) OR { 989} (( segid " " and resid 1698 and name H )) (( segid " " and resid 1694 and name H )) ASSI { 1016} (( segid " " and resid 1694 and name H )) ( segid " " and resid 1697 and name HB% ) 2.800 1.000 1.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.45732E-02 ppm1 8.317 ppm2 1.515 CV 1 OR { 1016} (( segid " " and resid 1694 and name H )) (( segid " " and resid 1693 and name HG12)) ASSI { 1084} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1680 and name H )) 4.000 2.000 2.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.67560E-03 ppm1 8.750 ppm2 7.988 CV 1 OR { 1084} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1687 and name H )) ASSI { 1100} (( segid " " and resid 1667 and name H )) ( segid " " and resid 1667 and name HB% ) 2.100 0.600 0.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.13539E-01 ppm1 7.977 ppm2 1.638 CV 1 OR { 1100} (( segid " " and resid 1680 and name H )) (( segid " " and resid 1680 and name HB2 )) ASSI { 1109} (( segid " " and resid 1801 and name H )) (( segid " " and resid 1802 and name H )) 2.400 0.700 0.700 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.51345E-02 ppm1 8.095 ppm2 8.486 CV 1 OR { 1109} (( segid " " and resid 1678 and name H )) (( segid " " and resid 1679 and name H )) ASSI { 1118} (( segid " " and resid 1679 and name H )) ( segid " " and resid 1687 and name HD2%) 4.500 2.500 1.500 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.46564E-03 ppm1 8.479 ppm2 0.961 CV 1 OR { 1118} (( segid " " and resid 1679 and name H )) ( segid " " and resid 1675 and name HD2%) ASSI { 1139} (( segid " " and resid 1674 and name H )) (( segid " " and resid 1673 and name HG2 )) 3.900 1.900 1.900 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 7.889 ppm2 1.940 CV 1 OR { 1139} (( segid " " and resid 1674 and name H )) (( segid " " and resid 1672 and name HB2 )) ASSI { 1154} (( segid " " and resid 1673 and name H )) (( segid " " and resid 1672 and name HB2 )) 2.900 1.100 1.100 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.38166E-02 ppm1 7.756 ppm2 1.932 CV 1 OR { 1154} (( segid " " and resid 1673 and name H )) (( segid " " and resid 1673 and name HG2 )) ASSI { 1160} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1667 and name H )) 3.900 1.900 1.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.80654E-03 ppm1 8.652 ppm2 7.981 CV 1 OR { 1160} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1671 and name H )) ASSI { 1172} (( segid " " and resid 1669 and name H )) ( segid " " and resid 1666 and name HB% ) 3.500 1.500 1.500 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.73176E-03 ppm1 8.652 ppm2 1.555 CV 1 OR { 1172} (( segid " " and resid 1669 and name H )) (( segid " " and resid 1773 and name HG )) ASSI { 1175} (( segid " " and resid 1669 and name H )) ( segid " " and resid 1665 and name HG2%) 3.500 1.500 1.500 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.15133E-02 ppm1 8.653 ppm2 0.834 CV 1 OR { 1175} (( segid " " and resid 1669 and name H )) ( segid " " and resid 1773 and name HD2%) ASSI { 1189} (( segid " " and resid 1668 and name H )) ( segid " " and resid 1665 and name HG2%) 3.900 1.900 1.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.96665E-03 ppm1 8.520 ppm2 0.824 CV 1 OR { 1189} (( segid " " and resid 1668 and name H )) ( segid " " and resid 1773 and name HD2%) ASSI { 1198} (( segid " " and resid 1666 and name H )) (( segid " " and resid 1663 and name HA )) 3.000 1.100 1.100 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.21744E-02 ppm1 7.719 ppm2 3.978 CV 1 OR { 1198} (( segid " " and resid 1666 and name H )) (( segid " " and resid 1662 and name HA )) ASSI { 1241} (( segid " " and resid 1661 and name H )) (( segid " " and resid 1662 and name HB2 )) 4.500 2.500 1.500 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.66104E-03 ppm1 8.185 ppm2 2.246 CV 1 OR { 1241} (( segid " " and resid 1661 and name H )) (( segid " " and resid 1660 and name HG3 )) ASSI { 1277} (( segid " " and resid 1677 and name H )) (( segid " " and resid 1676 and name HA )) 3.000 1.100 1.100 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.24259E-02 ppm1 8.247 ppm2 4.482 CV 1 OR { 1277} (( segid " " and resid 1677 and name H )) (( segid " " and resid 1674 and name HA )) ASSI { 1306} (( segid " " and resid 1671 and name H )) (( segid " " and resid 1669 and name HB3 )) 4.800 2.800 1.200 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.32429E-03 ppm1 7.965 ppm2 2.975 CV 1 OR { 1306} (( segid " " and resid 1671 and name H )) (( segid " " and resid 1674 and name HB2 )) ASSI { 1330} (( segid " " and resid 1668 and name H )) ( segid " " and resid 1735 and name HB% ) 4.600 2.600 1.400 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.21411E-03 ppm1 8.521 ppm2 1.426 CV 1 OR { 1330} (( segid " " and resid 1668 and name H )) ( segid " " and resid 1664 and name HB% ) ASSI { 1388} (( segid " " and resid 1679 and name H )) (( segid " " and resid 1762 and name HG )) 4.500 2.600 1.500 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.26400E-03 ppm1 8.478 ppm2 1.808 CV 1 OR { 1388} (( segid " " and resid 1679 and name H )) (( segid " " and resid 1680 and name HB3 )) ASSI { 1396} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1686 and name H )) 4.500 2.500 1.500 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.27440E-03 ppm1 8.749 ppm2 8.485 CV 1 OR { 1396} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1679 and name H )) ASSI { 1398} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1683 and name HA )) 4.600 2.700 1.400 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.46356E-03 ppm1 8.749 ppm2 3.995 CV 1 OR { 1398} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1679 and name HB3 )) ASSI { 1443} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1702 and name HG3 )) 4.200 2.200 1.800 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.46148E-03 ppm1 8.626 ppm2 2.336 CV 1 OR { 1443} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1701 and name HB2 )) ASSI { 1459} (( segid " " and resid 1702 and name H )) (( segid " " and resid 1698 and name HA )) 3.300 1.400 1.400 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.12244E-02 ppm1 8.293 ppm2 4.059 CV 1 OR { 1459} (( segid " " and resid 1702 and name H )) (( segid " " and resid 1701 and name HA )) ASSI { 1490} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1710 and name HB3 )) 4.700 2.800 1.300 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.35963E-03 ppm1 8.027 ppm2 4.050 CV 1 OR { 1490} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1734 and name HA )) OR { 1490} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1710 and name HA )) ASSI { 1505} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1709 and name HB )) 4.400 2.500 1.600 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.55087E-03 ppm1 7.627 ppm2 1.801 CV 1 OR { 1505} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1712 and name HG )) ASSI { 1513} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1715 and name HA )) 3.500 1.500 1.500 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.76081E-03 ppm1 8.069 ppm2 4.318 CV 1 OR { 1513} (( segid " " and resid 1716 and name H )) (( segid " " and resid 1714 and name HA )) ASSI { 1516} (( segid " " and resid 1717 and name H )) (( segid " " and resid 1717 and name HA )) 2.400 0.700 0.700 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.68392E-02 ppm1 8.504 ppm2 3.842 CV 1 OR { 1516} (( segid " " and resid 1769 and name H )) (( segid " " and resid 1769 and name HA )) ASSI { 1519} (( segid " " and resid 1769 and name H )) ( segid " " and resid 1672 and name HD1%) 3.500 1.600 1.600 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.18917E-02 ppm1 8.509 ppm2 0.989 CV 1 OR { 1519} (( segid " " and resid 1717 and name H )) ( segid " " and resid 1713 and name HG2%) OR { 1519} (( segid " " and resid 1717 and name H )) ( segid " " and resid 1800 and name HG1%) ASSI { 1527} (( segid " " and resid 1724 and name H )) (( segid " " and resid 1725 and name HA )) 5.900 4.300 0.100 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.20164E-03 ppm1 8.808 ppm2 4.213 CV 1 OR { 1527} (( segid " " and resid 1724 and name H )) (( segid " " and resid 1719 and name HA )) ASSI { 1550} (( segid " " and resid 1732 and name H )) ( segid " " and resid 1664 and name HB% ) 4.300 2.300 1.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.45317E-03 ppm1 7.980 ppm2 1.432 CV 1 OR { 1550} (( segid " " and resid 1732 and name H )) ( segid " " and resid 1735 and name HB% ) ASSI { 1605} (( segid " " and resid 1751 and name H )) ( segid " " and resid 1687 and name HD1%) 4.100 2.100 1.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.22658E-03 ppm1 7.073 ppm2 0.848 CV 1 OR { 1605} (( segid " " and resid 1751 and name H )) ( segid " " and resid 1761 and name HD2%) ASSI { 1616} (( segid " " and resid 1759 and name H )) (( segid " " and resid 1759 and name HG2 )) 3.300 1.400 1.400 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.29768E-02 ppm1 7.839 ppm2 2.422 CV 1 OR { 1616} (( segid " " and resid 1759 and name H )) (( segid " " and resid 1758 and name HB2 )) ASSI { 1647} (( segid " " and resid 1765 and name H )) ( segid " " and resid 1761 and name HD1%) 4.200 2.200 1.800 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.58413E-03 ppm1 7.886 ppm2 0.810 CV 1 OR { 1647} (( segid " " and resid 1765 and name H )) ( segid " " and resid 1675 and name HD1%) ASSI { 1670} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1796 and name HA )) 4.800 2.900 1.200 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.23074E-03 ppm1 9.195 ppm2 4.215 CV 1 OR { 1670} (( segid " " and resid 1779 and name H )) (( segid " " and resid 1777 and name HA )) ASSI { 1688} (( segid " " and resid 1784 and name H )) (( segid " " and resid 1727 and name HG )) 3.900 1.900 1.900 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.19541E-03 ppm1 8.443 ppm2 1.355 CV 1 OR { 1688} (( segid " " and resid 1784 and name H )) ( segid " " and resid 1779 and name HB% ) ASSI { 1715} (( segid " " and resid 1796 and name H )) (( segid " " and resid 1797 and name HB3 )) 5.300 3.500 0.700 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.35339E-03 ppm1 8.179 ppm2 2.146 CV 1 OR { 1715} (( segid " " and resid 1796 and name H )) (( segid " " and resid 1798 and name HB3 )) ASSI { 1795} (( segid " " and resid 1821 and name H )) (( segid " " and resid 1821 and name HA )) 2.700 0.900 0.900 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.37147E-02 ppm1 8.055 ppm2 4.377 CV 1 OR { 1795} (( segid " " and resid 1821 and name H )) (( segid " " and resid 1820 and name HA )) ASSI { 1853} (( segid " " and resid 1669 and name HD21)) ( segid " " and resid 1665 and name HG2%) 3.100 1.200 1.200 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.13782E-02 ppm1 6.594 ppm2 0.837 CV 1 OR { 1853} (( segid " " and resid 1669 and name HD21)) ( segid " " and resid 1773 and name HD2%) ASSI { 1933} (( segid " " and resid 1707 and name HE21)) (( segid " " and resid 1707 and name HG3 )) 2.700 0.900 0.900 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.18709E-02 ppm1 7.254 ppm2 2.241 CV 1 OR { 1933} (( segid " " and resid 1733 and name HE21)) (( segid " " and resid 1733 and name HG3 )) ASSI { 1955} (( segid " " and resid 1674 and name H )) (( segid " " and resid 1673 and name HG3 )) 3.900 1.900 1.900 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.70263E-03 ppm1 7.889 ppm2 1.642 CV 1 OR { 1955} (( segid " " and resid 1674 and name H )) (( segid " " and resid 1672 and name HG )) ASSI { 1956} (( segid " " and resid 1775 and name H )) ( segid " " and resid 1775 and name HD2%) 4.000 2.000 2.000 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.13533E-02 ppm1 8.178 ppm2 0.837 CV 1 OR { 1956} (( segid " " and resid 1796 and name H )) ( segid " " and resid 1796 and name HD1%) OR { 1956} (( segid " " and resid 1796 and name H )) ( segid " " and resid 1796 and name HD2%) ASSI { 1957} (( segid " " and resid 1803 and name H )) (( segid " " and resid 1802 and name H )) 2.500 0.800 0.800 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.40598E-02 ppm1 8.341 ppm2 8.507 CV 1 OR { 1957} (( segid " " and resid 1803 and name H )) (( segid " " and resid 1804 and name H )) ASSI { 1958} (( segid " " and resid 1803 and name H )) (( segid " " and resid 1805 and name H )) 3.700 1.700 1.700 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.71720E-03 ppm1 8.341 ppm2 8.073 CV 1 OR { 1958} (( segid " " and resid 1803 and name H )) (( segid " " and resid 1801 and name H )) ASSI { 1960} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1797 and name HB2 )) 3.900 1.900 1.900 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.63610E-03 ppm1 8.546 ppm2 2.133 CV 1 OR { 1960} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1797 and name HB3 )) OR { 1960} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1803 and name HB2 )) ASSI { 1961} (( segid " " and resid 1799 and name H )) (( segid " " and resid 1798 and name HB2 )) 2.800 1.000 1.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.41908E-02 ppm1 8.170 ppm2 2.138 CV 1 OR { 1961} (( segid " " and resid 1799 and name H )) (( segid " " and resid 1798 and name HB3 )) OR { 1961} (( segid " " and resid 1799 and name H )) (( segid " " and resid 1797 and name HB2 )) ASSI { 1962} (( segid " " and resid 1807 and name H )) (( segid " " and resid 1805 and name HA )) 4.200 2.200 1.800 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.40743E-03 ppm1 8.546 ppm2 4.089 CV 1 OR { 1962} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1798 and name HA )) OR { 1962} (( segid " " and resid 1800 and name H )) (( segid " " and resid 1801 and name HA )) OR { 1962} (( segid " " and resid 1807 and name H )) (( segid " " and resid 1710 and name HB3 )) ASSI { 1963} (( segid " " and resid 1798 and name H )) (( segid " " and resid 1795 and name HA )) 3.000 1.100 1.100 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.20143E-02 ppm1 8.200 ppm2 4.223 CV 1 OR { 1963} (( segid " " and resid 1798 and name H )) (( segid " " and resid 1796 and name HA )) ASSI { 1964} (( segid " " and resid 1798 and name H )) (( segid " " and resid 1798 and name HB2 )) 2.300 0.600 0.600 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.10648E-01 ppm1 8.200 ppm2 2.144 CV 1 OR { 1964} (( segid " " and resid 1798 and name H )) (( segid " " and resid 1798 and name HB3 )) OR { 1964} (( segid " " and resid 1798 and name H )) (( segid " " and resid 1797 and name HB2 )) ASSI { 1967} (( segid " " and resid 1760 and name H )) (( segid " " and resid 1760 and name HA )) 2.500 0.800 0.800 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.63319E-02 ppm1 8.034 ppm2 4.222 CV 1 OR { 1967} (( segid " " and resid 1795 and name H )) (( segid " " and resid 1795 and name HA )) OR { 1967} (( segid " " and resid 1760 and name H )) (( segid " " and resid 1757 and name HA )) OR { 1967} (( segid " " and resid 1805 and name H )) (( segid " " and resid 1802 and name HA )) OR { 1967} (( segid " " and resid 1795 and name H )) (( segid " " and resid 1792 and name HA )) OR { 1967} (( segid " " and resid 1782 and name H )) (( segid " " and resid 1792 and name HB )) ASSI { 1968} (( segid " " and resid 1782 and name H )) ( segid " " and resid 1782 and name HB% ) 2.200 0.600 0.600 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.11521E-01 ppm1 8.034 ppm2 1.502 CV 1 OR { 1968} (( segid " " and resid 1795 and name H )) ( segid " " and resid 1795 and name HB% ) OR { 1968} (( segid " " and resid 1760 and name H )) ( segid " " and resid 1760 and name HB% ) ASSI { 1969} (( segid " " and resid 1789 and name H )) (( segid " " and resid 1788 and name HG3 )) 3.700 1.700 1.700 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.50306E-03 ppm1 8.478 ppm2 2.421 CV 1 OR { 1969} (( segid " " and resid 1789 and name H )) (( segid " " and resid 1788 and name HG2 )) OR { 1969} (( segid " " and resid 1789 and name H )) (( segid " " and resid 1786 and name HB3 )) OR { 1969} (( segid " " and resid 1789 and name H )) (( segid " " and resid 1793 and name HG3 )) ASSI { 1972} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1775 and name HA )) 3.600 1.600 1.600 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.90425E-03 ppm1 8.103 ppm2 3.972 CV 1 OR { 1972} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1776 and name HA )) OR { 1972} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1779 and name HA )) ASSI { 1973} (( segid " " and resid 1778 and name H )) ( segid " " and resid 1799 and name HB% ) 4.500 2.500 1.500 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.45525E-03 ppm1 8.105 ppm2 1.557 CV 1 OR { 1973} (( segid " " and resid 1778 and name H )) ( segid " " and resid 1795 and name HB% ) OR { 1973} (( segid " " and resid 1778 and name H )) (( segid " " and resid 1796 and name HB2 )) ASSI { 1974} (( segid " " and resid 1772 and name H )) ( segid " " and resid 1709 and name HG2%) 5.400 3.600 0.600 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.29103E-03 ppm1 8.470 ppm2 0.821 CV 1 OR { 1974} (( segid " " and resid 1772 and name H )) ( segid " " and resid 1773 and name HD2%) OR { 1974} (( segid " " and resid 1772 and name H )) ( segid " " and resid 1776 and name HD1%) ASSI { 1975} (( segid " " and resid 1770 and name H )) (( segid " " and resid 1771 and name H )) 2.500 0.800 0.800 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.46481E-02 ppm1 9.224 ppm2 8.523 CV 1 OR { 1975} (( segid " " and resid 1770 and name H )) (( segid " " and resid 1769 and name H )) ASSI { 1977} (( segid " " and resid 1717 and name H )) (( segid " " and resid 1800 and name HB )) 4.700 2.700 1.300 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.32845E-03 ppm1 8.501 ppm2 2.253 CV 1 OR { 1977} (( segid " " and resid 1769 and name H )) (( segid " " and resid 1770 and name HG3 )) OR { 1977} (( segid " " and resid 1769 and name H )) (( segid " " and resid 1770 and name HB2 )) ASSI { 1978} (( segid " " and resid 1766 and name H )) ( segid " " and resid 1675 and name HD2%) 3.600 1.700 1.700 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.98114E-03 ppm1 8.621 ppm2 0.967 CV 1 OR { 1978} (( segid " " and resid 1766 and name H )) ( segid " " and resid 1810 and name HD1%) OR { 1978} (( segid " " and resid 1766 and name H )) ( segid " " and resid 1672 and name HD1%) ASSI { 1979} (( segid " " and resid 1764 and name H )) (( segid " " and resid 1764 and name HG2 )) 3.400 1.400 1.400 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.34321E-02 ppm1 8.850 ppm2 2.815 CV 1 OR { 1979} (( segid " " and resid 1764 and name H )) (( segid " " and resid 1763 and name HB2 )) ASSI { 1980} (( segid " " and resid 1762 and name H )) (( segid " " and resid 1761 and name HB3 )) 3.500 1.500 1.500 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.19104E-02 ppm1 7.395 ppm2 1.472 CV 1 OR { 1980} (( segid " " and resid 1762 and name H )) ( segid " " and resid 1760 and name HB% ) OR { 1980} (( segid " " and resid 1762 and name H )) ( segid " " and resid 1748 and name HB% ) ASSI { 1981} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1752 and name HB )) 4.900 3.000 1.100 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.37002E-03 ppm1 8.326 ppm2 4.295 CV 1 OR { 1981} (( segid " " and resid 1758 and name H )) (( segid " " and resid 1759 and name HA )) ASSI { 1986} (( segid " " and resid 1738 and name H )) (( segid " " and resid 1737 and name H )) 2.500 0.800 0.800 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.44465E-02 ppm1 7.626 ppm2 7.308 CV 1 OR { 1986} (( segid " " and resid 1738 and name H )) ( segid " " and resid 1738 and name HD% ) ASSI { 1988} (( segid " " and resid 1737 and name H )) ( segid " " and resid 1709 and name HD1%) 4.600 2.600 1.400 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.55087E-03 ppm1 7.325 ppm2 0.243 CV 1 OR { 1988} (( segid " " and resid 1737 and name H )) ( segid " " and resid 1668 and name HD1%) ASSI { 1989} (( segid " " and resid 1738 and name H )) ( segid " " and resid 1709 and name HD1%) 4.100 2.100 1.900 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.74625E-03 ppm1 7.627 ppm2 0.238 CV 1 OR { 1989} (( segid " " and resid 1738 and name H )) ( segid " " and resid 1668 and name HD1%) ASSI { 1991} (( segid " " and resid 1735 and name H )) ( segid " " and resid 1731 and name HG1%) 3.800 1.800 1.800 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.72135E-03 ppm1 8.282 ppm2 0.903 CV 1 OR { 1991} (( segid " " and resid 1735 and name H )) ( segid " " and resid 1776 and name HD2%) OR { 1991} (( segid " " and resid 1735 and name H )) ( segid " " and resid 1716 and name HD1%) ASSI { 1992} (( segid " " and resid 1731 and name H )) (( segid " " and resid 1730 and name H )) 2.400 0.700 0.700 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.42510E-02 ppm1 8.488 ppm2 7.960 CV 1 OR { 1992} (( segid " " and resid 1731 and name H )) (( segid " " and resid 1732 and name H )) ASSI { 1993} (( segid " " and resid 1670 and name H )) (( segid " " and resid 1669 and name HA )) 3.500 1.500 1.500 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.85437E-03 ppm1 7.920 ppm2 4.502 CV 1 OR { 1993} (( segid " " and resid 1730 and name H )) (( segid " " and resid 1729 and name HA )) ASSI { 1994} (( segid " " and resid 1726 and name H )) (( segid " " and resid 1726 and name HB3 )) 3.400 1.500 1.500 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.24613E-02 ppm1 7.751 ppm2 2.015 CV 1 OR { 1994} (( segid " " and resid 1726 and name H )) (( segid " " and resid 1727 and name HB3 )) ASSI { 1996} (( segid " " and resid 1723 and name H )) (( segid " " and resid 1721 and name HG2 )) 4.400 2.500 1.600 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.58205E-03 ppm1 8.930 ppm2 1.569 CV 1 OR { 1996} (( segid " " and resid 1723 and name H )) ( segid " " and resid 1720 and name HB% ) ASSI { 1997} (( segid " " and resid 1721 and name H )) ( segid " " and resid 1722 and name HB% ) 4.000 2.000 2.000 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.10248E-02 ppm1 7.600 ppm2 1.431 CV 1 OR { 1997} (( segid " " and resid 1721 and name H )) ( segid " " and resid 1719 and name HB% ) ASSI { 1999} (( segid " " and resid 1719 and name H )) (( segid " " and resid 1718 and name HB3 )) 2.900 1.100 1.100 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.25631E-02 ppm1 7.919 ppm2 3.935 CV 1 OR { 1999} (( segid " " and resid 1719 and name H )) (( segid " " and resid 1718 and name HB2 )) OR { 1999} (( segid " " and resid 1820 and name H )) (( segid " " and resid 1819 and name HB2 )) ASSI { 2000} (( segid " " and resid 1719 and name H )) (( segid " " and resid 1716 and name HA )) 3.200 1.200 1.200 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.24987E-02 ppm1 7.920 ppm2 3.880 CV 1 OR { 2000} (( segid " " and resid 1719 and name H )) (( segid " " and resid 1718 and name HB2 )) OR { 2000} (( segid " " and resid 1719 and name H )) (( segid " " and resid 1720 and name HA )) ASSI { 2002} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1711 and name HB3 )) 3.300 1.400 1.400 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.80239E-03 ppm1 7.718 ppm2 3.300 CV 1 OR { 2002} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1713 and name HA )) ASSI { 2003} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1708 and name H )) 3.900 1.900 1.900 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.53840E-03 ppm1 8.479 ppm2 7.745 CV 1 OR { 2003} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1712 and name H )) ASSI { 2005} (( segid " " and resid 1711 and name H )) ( segid " " and resid 1713 and name HD1%) 4.000 2.000 2.000 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.98951E-03 ppm1 7.626 ppm2 0.996 CV 1 OR { 2005} (( segid " " and resid 1711 and name H )) ( segid " " and resid 1712 and name HD2%) OR { 2005} (( segid " " and resid 1711 and name H )) ( segid " " and resid 1713 and name HG2%) ASSI { 2006} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1708 and name HG3 )) 4.700 2.800 1.300 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.47188E-03 ppm1 8.029 ppm2 2.041 CV 1 OR { 2006} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1706 and name HB )) OR { 2006} (( segid " " and resid 1709 and name H )) ( segid " " and resid 1803 and name HE% ) ASSI { 2007} (( segid " " and resid 1708 and name H )) (( segid " " and resid 1708 and name HG2 )) 2.600 0.900 0.900 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.40536E-02 ppm1 7.756 ppm2 2.266 CV 1 OR { 2007} (( segid " " and resid 1708 and name H )) (( segid " " and resid 1707 and name HB3 )) ASSI { 2008} (( segid " " and resid 1712 and name H )) (( segid " " and resid 1712 and name HG )) 2.900 1.000 1.000 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 7.756 ppm2 1.839 CV 1 OR { 2008} (( segid " " and resid 1708 and name H )) (( segid " " and resid 1707 and name HB2 )) ASSI { 2009} (( segid " " and resid 1708 and name H )) (( segid " " and resid 1708 and name HB2 )) 2.800 1.000 1.000 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.28437E-02 ppm1 7.756 ppm2 0.963 CV 1 OR { 2009} (( segid " " and resid 1712 and name H )) ( segid " " and resid 1712 and name HD2%) OR { 2009} (( segid " " and resid 1712 and name H )) ( segid " " and resid 1712 and name HD1%) ASSI { 2010} (( segid " " and resid 1709 and name H )) (( segid " " and resid 1708 and name HB2 )) 2.800 1.000 1.000 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.16879E-02 ppm1 8.028 ppm2 0.969 CV 1 OR { 2010} (( segid " " and resid 1709 and name H )) ( segid " " and resid 1713 and name HD1%) ASSI { 2012} (( segid " " and resid 1704 and name H )) (( segid " " and resid 1703 and name HB2 )) 3.400 1.500 1.500 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.29206E-02 ppm1 8.391 ppm2 1.572 CV 1 OR { 2012} (( segid " " and resid 1704 and name H )) ( segid " " and resid 1705 and name HB% ) OR { 2012} (( segid " " and resid 1704 and name H )) (( segid " " and resid 1703 and name HG )) ASSI { 2013} (( segid " " and resid 1700 and name H )) (( segid " " and resid 1698 and name HA )) 3.800 1.800 1.800 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.81906E-03 ppm1 8.326 ppm2 4.087 CV 1 OR { 2013} (( segid " " and resid 1700 and name H )) (( segid " " and resid 1696 and name HA )) OR { 2013} (( segid " " and resid 1700 and name H )) (( segid " " and resid 1701 and name HA )) ASSI { 2018} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1696 and name HA )) 3.000 1.100 1.100 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.19894E-02 ppm1 8.626 ppm2 4.088 CV 1 OR { 2018} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1698 and name HA )) ASSI { 2019} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1695 and name HA )) 3.800 1.800 1.800 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.76496E-03 ppm1 8.627 ppm2 3.980 CV 1 OR { 2019} (( segid " " and resid 1699 and name H )) (( segid " " and resid 1700 and name HA )) ASSI { 2021} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1695 and name HA )) 3.500 1.500 1.500 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 8.909 ppm2 3.993 CV 1 OR { 2021} (( segid " " and resid 1696 and name H )) (( segid " " and resid 1694 and name HB3 )) ASSI { 2022} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1696 and name HA )) 3.500 1.500 1.500 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.10664E-02 ppm1 7.950 ppm2 4.093 CV 1 OR { 2022} (( segid " " and resid 1697 and name H )) (( segid " " and resid 1698 and name HA )) ASSI { 2023} (( segid " " and resid 1695 and name H )) (( segid " " and resid 1695 and name HA )) 3.200 1.300 1.300 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.11330E-02 ppm1 9.014 ppm2 3.987 CV 1 OR { 2023} (( segid " " and resid 1695 and name H )) (( segid " " and resid 1694 and name HB3 )) ASSI { 2025} (( segid " " and resid 1690 and name H )) (( segid " " and resid 1750 and name HA )) 4.200 2.200 1.800 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.70263E-03 ppm1 8.057 ppm2 4.016 CV 1 OR { 2025} (( segid " " and resid 1690 and name H )) (( segid " " and resid 1748 and name HA )) ASSI { 2026} (( segid " " and resid 1687 and name H )) ( segid " " and resid 1682 and name HB% ) 4.400 2.400 1.600 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.51761E-03 ppm1 7.979 ppm2 1.535 CV 1 OR { 2026} (( segid " " and resid 1687 and name H )) ( segid " " and resid 1749 and name HB% ) ASSI { 2027} (( segid " " and resid 1687 and name H )) (( segid " " and resid 1686 and name HG2 )) 3.300 1.300 1.300 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.55919E-03 ppm1 7.978 ppm2 2.293 CV 1 OR { 2027} (( segid " " and resid 1687 and name H )) (( segid " " and resid 1685 and name HB3 )) OR { 2027} (( segid " " and resid 1687 and name H )) (( segid " " and resid 1685 and name HB2 )) ASSI { 2028} (( segid " " and resid 1684 and name H )) (( segid " " and resid 1681 and name HA )) 3.400 1.500 1.500 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.11059E-02 ppm1 7.421 ppm2 4.119 CV 1 OR { 2028} (( segid " " and resid 1684 and name H )) (( segid " " and resid 1682 and name HA )) ASSI { 2029} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1682 and name HA )) 2.600 0.800 0.800 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.51574E-02 ppm1 8.750 ppm2 4.145 CV 1 OR { 2029} (( segid " " and resid 1682 and name H )) (( segid " " and resid 1681 and name HA )) ASSI { 2030} (( segid " " and resid 1682 and name H )) ( segid " " and resid 1682 and name HB% ) 2.300 0.700 0.700 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.75462E-02 ppm1 8.750 ppm2 1.534 CV 1 OR { 2030} (( segid " " and resid 1745 and name H )) ( segid " " and resid 1745 and name HB% ) OR { 2030} (( segid " " and resid 1745 and name H )) ( segid " " and resid 1744 and name HB% ) ASSI { 2031} (( segid " " and resid 1682 and name H )) ( segid " " and resid 1687 and name HD2%) 3.700 1.700 1.700 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.11766E-02 ppm1 8.750 ppm2 0.980 CV 1 OR { 2031} (( segid " " and resid 1745 and name H )) ( segid " " and resid 1741 and name HD2%) OR { 2031} (( segid " " and resid 1745 and name H )) ( segid " " and resid 1675 and name HD2%) OR { 2031} (( segid " " and resid 1745 and name H )) ( segid " " and resid 1746 and name HG2%) ASSI { 2033} (( segid " " and resid 1663 and name H )) (( segid " " and resid 1659 and name HG )) 4.200 2.200 1.800 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.45525E-03 ppm1 8.555 ppm2 1.581 CV 1 OR { 2033} (( segid " " and resid 1663 and name H )) (( segid " " and resid 1780 and name HD2 )) OR { 2033} (( segid " " and resid 1663 and name H )) ( segid " " and resid 1666 and name HB% ) ASSI { 2034} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1659 and name HB3 )) 4.200 2.200 1.800 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.86479E-03 ppm1 7.781 ppm2 1.610 CV 1 OR { 2034} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1659 and name HB2 )) OR { 2034} (( segid " " and resid 1658 and name H )) ( segid " " and resid 1724 and name HB% ) ASSI { 2037} (( segid " " and resid 1672 and name H )) ( segid " " and resid 1668 and name HD1%) 4.700 2.800 1.300 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.22035E-03 ppm1 8.454 ppm2 0.229 CV 1 OR { 2037} (( segid " " and resid 1665 and name H )) ( segid " " and resid 1668 and name HD1%) ASSI { 2038} (( segid " " and resid 1730 and name H )) (( segid " " and resid 1731 and name H )) 3.400 1.500 1.500 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.61739E-03 ppm1 7.882 ppm2 8.499 CV 1 OR { 2038} (( segid " " and resid 1670 and name H )) (( segid " " and resid 1668 and name H )) ASSI { 2043} (( segid " " and resid 1660 and name H )) (( segid " " and resid 1780 and name HG3 )) 5.200 3.400 0.800 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.17254E-03 ppm1 9.635 ppm2 1.431 CV 1 OR { 2043} (( segid " " and resid 1660 and name H )) ( segid " " and resid 1664 and name HB% ) OR { 2043} (( segid " " and resid 1660 and name H )) ( segid " " and resid 1655 and name HB% ) ASSI { 2044} (( segid " " and resid 1658 and name H )) ( segid " " and resid 1663 and name HG2%) 4.800 2.900 1.200 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.22243E-03 ppm1 7.779 ppm2 1.221 CV 1 OR { 2044} (( segid " " and resid 1658 and name H )) (( segid " " and resid 1727 and name HB2 )) OR { 2044} (( segid " " and resid 1658 and name H )) ( segid " " and resid 1792 and name HG2%) ASSI { 2049} (( segid " " and resid 1684 and name H )) ( segid " " and resid 1680 and name HD1%) 3.800 1.800 1.800 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.27647E-03 ppm1 7.423 ppm2 0.890 CV 1 OR { 2049} (( segid " " and resid 1684 and name H )) ( segid " " and resid 1687 and name HD1%) ASSI { 2055} (( segid " " and resid 1700 and name H )) ( segid " " and resid 1814 and name HD2%) 4.900 3.000 1.100 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.22867E-03 ppm1 8.327 ppm2 0.851 CV 1 OR { 2055} (( segid " " and resid 1700 and name H )) ( segid " " and resid 1703 and name HD1%) OR { 2055} (( segid " " and resid 1700 and name H )) ( segid " " and resid 1693 and name HD1%) OR { 2055} (( segid " " and resid 1700 and name H )) ( segid " " and resid 1703 and name HD2%) ASSI { 2057} (( segid " " and resid 1702 and name H )) (( segid " " and resid 1699 and name HA )) 3.400 1.400 1.400 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.13137E-02 ppm1 8.294 ppm2 4.202 CV 1 OR { 2057} (( segid " " and resid 1702 and name H )) (( segid " " and resid 1704 and name HB )) OR { 2057} (( segid " " and resid 1702 and name H )) (( segid " " and resid 1744 and name HA )) ASSI { 2058} (( segid " " and resid 1703 and name H )) (( segid " " and resid 1703 and name HB2 )) 2.500 0.800 0.800 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.58808E-02 ppm1 8.432 ppm2 1.577 CV 1 OR { 2058} (( segid " " and resid 1672 and name H )) (( segid " " and resid 1672 and name HG )) OR { 2058} (( segid " " and resid 1703 and name H )) (( segid " " and resid 1703 and name HG )) ASSI { 2059} (( segid " " and resid 1705 and name H )) (( segid " " and resid 1706 and name HB )) 4.400 2.400 1.600 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.44069E-03 ppm1 7.451 ppm2 2.065 CV 1 OR { 2059} (( segid " " and resid 1705 and name H )) (( segid " " and resid 1708 and name HG3 )) ASSI { 2060} (( segid " " and resid 1706 and name H )) ( segid " " and resid 1741 and name HD1%) 4.300 2.300 1.700 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.46980E-03 ppm1 8.468 ppm2 0.724 CV 1 OR { 2060} (( segid " " and resid 1706 and name H )) ( segid " " and resid 1814 and name HD1%) ASSI { 2061} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1713 and name HG13)) 4.900 3.000 1.100 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.21827E-03 ppm1 8.478 ppm2 2.254 CV 1 OR { 2061} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1713 and name HG12)) OR { 2061} (( segid " " and resid 1710 and name H )) (( segid " " and resid 1707 and name HB3 )) ASSI { 2062} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1708 and name HG3 )) 5.100 3.300 0.900 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.24530E-03 ppm1 7.625 ppm2 2.027 CV 1 OR { 2062} (( segid " " and resid 1711 and name H )) ( segid " " and resid 1734 and name HE% ) OR { 2062} (( segid " " and resid 1711 and name H )) ( segid " " and resid 1803 and name HE% ) OR { 2062} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1714 and name HB3 )) OR { 2062} (( segid " " and resid 1711 and name H )) (( segid " " and resid 1803 and name HB3 )) ASSI { 2063} (( segid " " and resid 1714 and name H )) (( segid " " and resid 1715 and name HB3 )) 5.900 4.400 0.100 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.18709E-03 ppm1 8.884 ppm2 1.689 CV 1 OR { 2063} (( segid " " and resid 1714 and name H )) (( segid " " and resid 1712 and name HB3 )) ASSI { 2065} (( segid " " and resid 1728 and name H )) (( segid " " and resid 1726 and name HA )) 4.400 2.400 1.600 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.31805E-03 ppm1 8.886 ppm2 4.509 CV 1 OR { 2065} (( segid " " and resid 1728 and name H )) (( segid " " and resid 1729 and name HA )) ASSI { 2066} (( segid " " and resid 1728 and name H )) (( segid " " and resid 1660 and name HB2 )) 4.900 3.000 1.100 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.29934E-03 ppm1 8.887 ppm2 2.124 CV 1 OR { 2066} (( segid " " and resid 1728 and name H )) (( segid " " and resid 1731 and name HB )) ASSI { 2067} (( segid " " and resid 1728 and name H )) ( segid " " and resid 1731 and name HG1%) 5.200 3.400 0.800 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.19332E-03 ppm1 8.879 ppm2 0.930 CV 1 OR { 2067} (( segid " " and resid 1728 and name H )) ( segid " " and resid 1716 and name HD1%) ASSI { 2069} (( segid " " and resid 1736 and name H )) (( segid " " and resid 1734 and name H )) 3.900 1.900 1.900 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.41783E-03 ppm1 7.365 ppm2 7.961 CV 1 OR { 2069} (( segid " " and resid 1736 and name H )) (( segid " " and resid 1733 and name H )) ASSI { 2074} (( segid " " and resid 1750 and name H )) ( segid " " and resid 1748 and name HB% ) 4.600 2.600 1.400 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.38041E-03 ppm1 8.431 ppm2 1.451 CV 1 OR { 2074} (( segid " " and resid 1750 and name H )) (( segid " " and resid 1751 and name HG3 )) ASSI { 2077} (( segid " " and resid 1766 and name H )) (( segid " " and resid 1769 and name H )) 4.700 2.800 1.300 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.20788E-03 ppm1 8.624 ppm2 8.523 CV 1 OR { 2077} (( segid " " and resid 1766 and name H )) (( segid " " and resid 1675 and name H )) ASSI { 2079} (( segid " " and resid 1777 and name H )) ( segid " " and resid 1776 and name HD2%) 4.700 2.800 1.300 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.39913E-03 ppm1 8.852 ppm2 0.863 CV 1 OR { 2079} (( segid " " and resid 1777 and name H )) ( segid " " and resid 1775 and name HD2%) OR { 2079} (( segid " " and resid 1764 and name H )) ( segid " " and resid 1761 and name HD1%) OR { 2079} (( segid " " and resid 1777 and name H )) ( segid " " and resid 1665 and name HG2%) OR { 2079} (( segid " " and resid 1777 and name H )) ( segid " " and resid 1773 and name HD2%) OR { 2079} (( segid " " and resid 1764 and name H )) ( segid " " and resid 1810 and name HD2%) ASSI { 2080} (( segid " " and resid 1769 and name H )) ( segid " " and resid 1668 and name HD1%) 5.000 3.200 1.000 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.28895E-03 ppm1 8.497 ppm2 0.233 CV 1 OR { 2080} (( segid " " and resid 1769 and name H )) ( segid " " and resid 1709 and name HD1%) ASSI { 2081} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1774 and name HA )) 4.900 3.000 1.100 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.21204E-03 ppm1 8.680 ppm2 4.242 CV 1 OR { 2081} (( segid " " and resid 1776 and name H )) (( segid " " and resid 1777 and name HA )) ASSI { 2082} (( segid " " and resid 1777 and name H )) (( segid " " and resid 1665 and name HG12)) 4.400 2.400 1.600 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.26400E-03 ppm1 8.874 ppm2 1.738 CV 1 OR { 2082} (( segid " " and resid 1777 and name H )) (( segid " " and resid 1773 and name HB3 )) ASSI { 2088} (( segid " " and resid 1795 and name H )) (( segid " " and resid 1794 and name HG2 )) 4.100 2.100 1.900 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.77748E-03 ppm1 8.034 ppm2 2.390 CV 1 OR { 2088} (( segid " " and resid 1782 and name H )) (( segid " " and resid 1781 and name HG3 )) OR { 2088} (( segid " " and resid 1782 and name H )) (( segid " " and resid 1781 and name HG2 )) ASSI { 2089} (( segid " " and resid 1775 and name H )) ( segid " " and resid 1803 and name HE% ) 4.700 2.800 1.300 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.35339E-03 ppm1 8.178 ppm2 2.099 CV 1 OR { 2089} (( segid " " and resid 1796 and name H )) (( segid " " and resid 1797 and name HB3 )) OR { 2089} (( segid " " and resid 1796 and name H )) (( segid " " and resid 1794 and name HB2 )) OR { 2089} (( segid " " and resid 1796 and name H )) (( segid " " and resid 1797 and name HB2 )) OR { 2089} (( segid " " and resid 1775 and name H )) (( segid " " and resid 1803 and name HB2 )) ASSI { 2096} (( segid " " and resid 1815 and name H )) ( segid " " and resid 1818 and name HB% ) 5.200 3.400 0.800 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.16422E-03 ppm1 8.499 ppm2 1.413 CV 1 OR { 2096} (( segid " " and resid 1815 and name H )) ( segid " " and resid 1820 and name HB% ) ASSI { 2107} (( segid " " and resid 1793 and name HE22)) ( segid " " and resid 1782 and name HB% ) 3.200 1.300 1.300 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 6.700 ppm2 1.501 CV 1 OR { 2107} (( segid " " and resid 1793 and name HE22)) ( segid " " and resid 1789 and name HB% ) ASSI { 2122} (( segid " " and resid 1658 and name HE21)) (( segid " " and resid 1780 and name HG2 )) 4.000 2.000 2.000 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.49682E-03 ppm1 7.981 ppm2 1.598 CV 1 OR { 2122} (( segid " " and resid 1658 and name HE21)) (( segid " " and resid 1780 and name HD2 )) OR { 2122} (( segid " " and resid 1658 and name HE21)) ( segid " " and resid 1724 and name HB% ) ASSI { 2125} (( segid " " and resid 1658 and name HE22)) ( segid " " and resid 1792 and name HG2%) 5.100 3.300 0.900 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.17669E-03 ppm1 7.311 ppm2 1.221 CV 1 OR { 2125} (( segid " " and resid 1658 and name HE22)) (( segid " " and resid 1727 and name HB2 )) ASSI { 2126} (( segid " " and resid 1658 and name HE21)) ( segid " " and resid 1792 and name HG2%) 5.100 3.200 0.900 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.17254E-03 ppm1 7.974 ppm2 1.227 CV 1 OR { 2126} (( segid " " and resid 1658 and name HE21)) ( segid " " and resid 1654 and name HG2%) ASSI { 6} ( segid " " and resid 1738 and name HE% ) ( segid " " and resid 1735 and name HB% ) 4.000 2.000 2.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.92072E-03 ppm1 7.067 ppm2 1.439 CV 1 OR { 6} ( segid " " and resid 1738 and name HE% ) ( segid " " and resid 1664 and name HB% ) ASSI { 11} ( segid " " and resid 1777 and name HD% ) (( segid " " and resid 1777 and name HB2 )) 2.100 0.500 0.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.96678E-02 ppm1 7.179 ppm2 3.093 CV 1 OR { 11} ( segid " " and resid 1737 and name HD% ) (( segid " " and resid 1737 and name HB2 )) ASSI { 15} ( segid " " and resid 1737 and name HD% ) (( segid " " and resid 1709 and name HG12)) 2.700 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.40084E-02 ppm1 7.175 ppm2 0.839 CV 1 OR { 15} ( segid " " and resid 1777 and name HD% ) ( segid " " and resid 1773 and name HD2%) ASSI { 61} ( segid " " and resid 1738 and name HD% ) (( segid " " and resid 1741 and name HB2 )) 4.000 2.000 2.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.86118E-03 ppm1 7.290 ppm2 2.045 CV 1 OR { 61} ( segid " " and resid 1738 and name HD% ) ( segid " " and resid 1803 and name HE% ) ASSI { 67} ( segid " " and resid 1738 and name HD% ) ( segid " " and resid 1769 and name HB% ) 3.300 1.400 1.400 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12660E-02 ppm1 7.286 ppm2 1.299 CV 1 OR { 67} ( segid " " and resid 1738 and name HD% ) ( segid " " and resid 1772 and name HB% ) ASSI { 69} ( segid " " and resid 1738 and name HE% ) ( segid " " and resid 1772 and name HB% ) 3.000 1.100 1.100 peak 69 spectrum 1 weight 0.10000E+01 volume 0.20280E-02 ppm1 7.065 ppm2 1.298 CV 1 OR { 69} ( segid " " and resid 1738 and name HE% ) ( segid " " and resid 1769 and name HB% ) ASSI { 78} ( segid " " and resid 1738 and name HD% ) ( segid " " and resid 1668 and name HD1%) 3.400 1.400 1.400 peak 78 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 7.293 ppm2 0.248 CV 1 OR { 78} ( segid " " and resid 1738 and name HD% ) ( segid " " and resid 1709 and name HD1%) ASSI { 83} (( segid " " and resid 1729 and name HD2 )) (( segid " " and resid 1729 and name HA )) 3.300 1.400 1.400 peak 83 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 7.077 ppm2 4.505 CV 1 OR { 83} (( segid " " and resid 1729 and name HD2 )) (( segid " " and resid 1726 and name HA ))
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