NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
464933 | 2kvp | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} ( segid " " and resid 1923 and name HD2%) (( segid " " and resid 1923 and name HB2 )) 3.000 1.100 1.100 peak 1 spectrum 1 weight 0.10000E+01 volume 0.54031E-02 ppm1 0.986 ppm2 2.383 CV 1 ASSI { 3} (( segid " " and resid 1895 and name HD3 )) ( segid " " and resid 1860 and name HG2%) 2.800 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.27375E-02 ppm1 3.173 ppm2 1.159 CV 1 OR { 3} (( segid " " and resid 1895 and name HD2 )) ( segid " " and resid 1860 and name HG2%) ASSI { 4} (( segid " " and resid 1973 and name HB2 )) (( segid " " and resid 1973 and name HD3 )) 3.600 1.600 1.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.77959E-03 ppm1 1.825 ppm2 3.121 CV 1 OR { 4} (( segid " " and resid 1973 and name HB2 )) (( segid " " and resid 1973 and name HD2 )) ASSI { 8} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1934 and name H )) 2.900 1.100 1.100 peak 8 spectrum 1 weight 0.10000E+01 volume 0.20449E-02 ppm1 0.796 ppm2 8.794 CV 1 ASSI { 12} (( segid " " and resid 1968 and name HB3 )) (( segid " " and resid 1854 and name HG3 )) 2.400 0.700 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.13163E-02 ppm1 1.420 ppm2 1.912 CV 1 ASSI { 13} (( segid " " and resid 1968 and name HB2 )) (( segid " " and resid 1854 and name HG3 )) 3.800 1.800 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.13283E-02 ppm1 2.012 ppm2 1.905 CV 1 ASSI { 19} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1889 and name HG )) 2.200 0.600 0.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.87852E-02 ppm1 0.856 ppm2 1.521 CV 1 ASSI { 20} (( segid " " and resid 1967 and name HA )) (( segid " " and resid 1915 and name HD2 )) 3.000 3.000 3.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.80656E-03 ppm1 4.218 ppm2 7.025 CV 1 ASSI { 21} (( segid " " and resid 1965 and name HA )) (( segid " " and resid 1965 and name HB2 )) 2.800 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.34451E-02 ppm1 3.896 ppm2 1.993 CV 1 ASSI { 24} (( segid " " and resid 1931 and name HA )) (( segid " " and resid 1934 and name H )) 3.100 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.12354E-02 ppm1 3.503 ppm2 8.794 CV 1 ASSI { 27} (( segid " " and resid 1933 and name HB2 )) (( segid " " and resid 1934 and name H )) 3.900 1.900 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 2.006 ppm2 8.789 CV 1 ASSI { 29} (( segid " " and resid 1960 and name HA )) (( segid " " and resid 1960 and name HD2 )) 3.400 1.400 1.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.21649E-02 ppm1 4.033 ppm2 1.713 CV 1 OR { 29} (( segid " " and resid 1960 and name HA )) (( segid " " and resid 1960 and name HG3 )) ASSI { 30} (( segid " " and resid 1960 and name HA )) (( segid " " and resid 1960 and name HG2 )) 3.400 1.400 1.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.16431E-02 ppm1 4.032 ppm2 1.635 CV 1 OR { 30} (( segid " " and resid 1960 and name HA )) (( segid " " and resid 1960 and name HG3 )) ASSI { 31} (( segid " " and resid 1960 and name HE3 )) (( segid " " and resid 1922 and name HB3 )) 3.700 1.700 1.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.12054E-02 ppm1 2.972 ppm2 2.273 CV 1 OR { 31} (( segid " " and resid 1960 and name HE2 )) (( segid " " and resid 1922 and name HB3 )) ASSI { 32} (( segid " " and resid 1960 and name HE2 )) (( segid " " and resid 1959 and name HB2 )) 2.800 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.25846E-02 ppm1 2.975 ppm2 2.121 CV 1 OR { 32} (( segid " " and resid 1960 and name HE3 )) (( segid " " and resid 1959 and name HB2 )) ASSI { 33} (( segid " " and resid 1960 and name HE3 )) (( segid " " and resid 1960 and name HG3 )) 2.700 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.30584E-02 ppm1 2.976 ppm2 1.634 CV 1 OR { 33} (( segid " " and resid 1960 and name HE3 )) (( segid " " and resid 1960 and name HG2 )) OR { 33} (( segid " " and resid 1960 and name HE2 )) (( segid " " and resid 1960 and name HG2 )) OR { 33} (( segid " " and resid 1960 and name HE2 )) (( segid " " and resid 1960 and name HG3 )) ASSI { 34} (( segid " " and resid 1919 and name HB3 )) (( segid " " and resid 1922 and name HG3 )) 2.300 2.300 3.700 peak 34 spectrum 1 weight 0.10000E+01 volume 0.84794E-02 ppm1 2.008 ppm2 2.201 CV 1 ASSI { 42} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1950 and name HG )) 4.000 2.000 2.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.87852E-03 ppm1 2.740 ppm2 1.560 CV 1 OR { 42} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1950 and name HB2 )) ASSI { 43} (( segid " " and resid 1953 and name HB3 )) ( segid " " and resid 1929 and name HB% ) 3.300 1.300 1.300 peak 43 spectrum 1 weight 0.10000E+01 volume 0.96850E-03 ppm1 2.746 ppm2 1.480 CV 1 ASSI { 45} (( segid " " and resid 1911 and name HB3 )) (( segid " " and resid 1911 and name HA )) 2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.30853E-02 ppm1 2.084 ppm2 3.999 CV 1 ASSI { 47} (( segid " " and resid 1854 and name HA )) (( segid " " and resid 1968 and name HB3 )) 4.100 2.100 1.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.59668E-03 ppm1 3.453 ppm2 1.398 CV 1 ASSI { 55} (( segid " " and resid 1950 and name HB3 )) ( segid " " and resid 1950 and name HD2%) 2.800 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.20989E-02 ppm1 2.134 ppm2 0.778 CV 1 OR { 55} (( segid " " and resid 1950 and name HB3 )) ( segid " " and resid 1950 and name HD1%) ASSI { 56} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1871 and name HB2 )) 3.800 1.800 1.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.10374E-02 ppm1 0.747 ppm2 2.438 CV 1 ASSI { 58} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1950 and name HA )) 2.700 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.63745E-02 ppm1 0.747 ppm2 3.697 CV 1 ASSI { 63} (( segid " " and resid 1947 and name HE2 )) ( segid " " and resid 1944 and name HG1%) 2.700 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.39579E-02 ppm1 2.893 ppm2 0.871 CV 1 OR { 63} (( segid " " and resid 1947 and name HE3 )) ( segid " " and resid 1944 and name HG1%) OR { 63} (( segid " " and resid 1947 and name HE2 )) ( segid " " and resid 1944 and name HG2%) OR { 63} (( segid " " and resid 1947 and name HE3 )) ( segid " " and resid 1944 and name HG2%) ASSI { 71} (( segid " " and resid 1947 and name HG3 )) (( segid " " and resid 1944 and name HA )) 4.400 2.400 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.80656E-03 ppm1 1.414 ppm2 3.664 CV 1 ASSI { 72} (( segid " " and resid 1947 and name HG2 )) (( segid " " and resid 1944 and name HA )) 4.300 2.300 1.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.54871E-03 ppm1 1.352 ppm2 3.668 CV 1 ASSI { 76} (( segid " " and resid 1943 and name HA )) (( segid " " and resid 1944 and name HB )) 4.500 2.500 1.500 peak 76 spectrum 1 weight 0.10000E+01 volume 0.95048E-03 ppm1 4.591 ppm2 1.998 CV 1 ASSI { 78} (( segid " " and resid 1942 and name HA )) ( segid " " and resid 1937 and name HD2%) 3.800 1.800 1.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.65961E-03 ppm1 4.530 ppm2 0.954 CV 1 OR { 78} (( segid " " and resid 1942 and name HA )) ( segid " " and resid 1937 and name HD1%) ASSI { 79} (( segid " " and resid 1942 and name HA )) ( segid " " and resid 1944 and name HG2%) 3.800 1.800 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.64468E-03 ppm1 4.527 ppm2 0.878 CV 1 OR { 79} (( segid " " and resid 1942 and name HA )) ( segid " " and resid 1944 and name HG1%) ASSI { 80} (( segid " " and resid 1942 and name HA )) (( segid " " and resid 1947 and name HE2 )) 3.900 1.900 1.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.56370E-03 ppm1 4.529 ppm2 2.923 CV 1 OR { 80} (( segid " " and resid 1942 and name HA )) (( segid " " and resid 1947 and name HE3 )) ASSI { 82} (( segid " " and resid 1879 and name HD3 )) (( segid " " and resid 1880 and name H )) 4.300 2.300 1.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.72263E-03 ppm1 3.406 ppm2 9.433 CV 1 ASSI { 83} (( segid " " and resid 1940 and name HB2 )) (( segid " " and resid 1943 and name HB3 )) 3.500 1.500 1.500 peak 83 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 3.743 ppm2 3.017 CV 1 ASSI { 84} (( segid " " and resid 1939 and name HB2 )) (( segid " " and resid 1936 and name HA )) 3.100 1.200 1.200 peak 84 spectrum 1 weight 0.10000E+01 volume 0.18200E-02 ppm1 2.997 ppm2 4.147 CV 1 OR { 84} (( segid " " and resid 1939 and name HB3 )) (( segid " " and resid 1936 and name HA )) ASSI { 85} (( segid " " and resid 1938 and name HG2 )) (( segid " " and resid 1938 and name HB3 )) 2.100 2.100 3.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10389E-01 ppm1 2.335 ppm2 2.109 CV 1 ASSI { 86} (( segid " " and resid 1938 and name HG2 )) (( segid " " and resid 1879 and name HB3 )) 3.800 1.800 1.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.11423E-02 ppm1 2.340 ppm2 1.876 CV 1 ASSI { 87} (( segid " " and resid 1938 and name HG2 )) (( segid " " and resid 1941 and name HA )) 3.700 1.800 1.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.14242E-02 ppm1 2.338 ppm2 4.564 CV 1 ASSI { 88} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1938 and name HE21)) 3.100 1.200 1.200 peak 88 spectrum 1 weight 0.10000E+01 volume 0.10045E-02 ppm1 2.522 ppm2 6.687 CV 1 ASSI { 90} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1937 and name H )) 4.400 2.500 1.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.32982E-03 ppm1 2.515 ppm2 8.212 CV 1 ASSI { 91} ( segid " " and resid 1934 and name HB% ) (( segid " " and resid 1934 and name H )) 2.200 0.600 0.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.77837E-02 ppm1 1.351 ppm2 8.792 CV 1 ASSI { 92} (( segid " " and resid 1934 and name HA )) (( segid " " and resid 1934 and name H )) 2.700 0.900 0.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.26116E-02 ppm1 3.925 ppm2 8.792 CV 1 ASSI { 94} (( segid " " and resid 1932 and name HA )) (( segid " " and resid 1933 and name H )) 3.700 1.700 1.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.63266E-03 ppm1 3.820 ppm2 8.032 CV 1 ASSI { 97} ( segid " " and resid 1931 and name HG1%) (( segid " " and resid 1932 and name H )) 3.600 1.600 1.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.21558E-02 ppm1 1.000 ppm2 7.737 CV 1 ASSI { 98} (( segid " " and resid 1930 and name HB3 )) (( segid " " and resid 1930 and name HB2 )) 2.100 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.41347E-02 ppm1 1.406 ppm2 1.954 CV 1 ASSI { 99} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1871 and name HB2 )) 3.300 1.400 1.400 peak 99 spectrum 1 weight 0.10000E+01 volume 0.65363E-03 ppm1 0.951 ppm2 2.404 CV 1 ASSI { 100} (( segid " " and resid 1930 and name HA )) (( segid " " and resid 1933 and name H )) 3.400 1.500 1.500 peak 100 spectrum 1 weight 0.10000E+01 volume 0.76459E-03 ppm1 4.035 ppm2 8.050 CV 1 ASSI { 101} (( segid " " and resid 1930 and name HA )) (( segid " " and resid 1934 and name H )) 4.000 2.000 2.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.42277E-03 ppm1 4.038 ppm2 8.794 CV 1 ASSI { 102} (( segid " " and resid 1927 and name HB2 )) ( segid " " and resid 1831 and name HG2%) 3.900 1.900 1.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.11664E-02 ppm1 2.838 ppm2 0.628 CV 1 OR { 102} (( segid " " and resid 1927 and name HB2 )) ( segid " " and resid 1831 and name HD1%) ASSI { 103} (( segid " " and resid 1927 and name HB2 )) (( segid " " and resid 1923 and name HB2 )) 3.400 1.500 1.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.18710E-02 ppm1 2.838 ppm2 2.379 CV 1 ASSI { 104} (( segid " " and resid 1927 and name HB3 )) (( segid " " and resid 1923 and name HB2 )) 3.500 1.500 1.500 peak 104 spectrum 1 weight 0.10000E+01 volume 0.22788E-02 ppm1 2.237 ppm2 2.377 CV 1 ASSI { 107} (( segid " " and resid 1924 and name HA2 )) (( segid " " and resid 1923 and name HB2 )) 4.000 2.000 2.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.66566E-03 ppm1 2.233 ppm2 2.381 CV 1 ASSI { 108} (( segid " " and resid 1924 and name HA3 )) (( segid " " and resid 1923 and name HB2 )) 4.400 2.500 1.600 peak 108 spectrum 1 weight 0.10000E+01 volume 0.50373E-03 ppm1 3.357 ppm2 2.378 CV 1 ASSI { 110} (( segid " " and resid 1917 and name HG2 )) (( segid " " and resid 1916 and name HB )) 4.600 2.700 1.400 peak 110 spectrum 1 weight 0.10000E+01 volume 0.29984E-03 ppm1 1.134 ppm2 2.015 CV 1 ASSI { 112} (( segid " " and resid 1920 and name HA )) ( segid " " and resid 1900 and name HB% ) 4.600 2.600 1.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.80958E-03 ppm1 3.608 ppm2 1.406 CV 1 ASSI { 113} ( segid " " and resid 1920 and name HG1%) (( segid " " and resid 1921 and name HE21)) 3.300 3.300 2.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.19130E-02 ppm1 0.804 ppm2 7.255 CV 1 OR { 113} ( segid " " and resid 1920 and name HG1%) (( segid " " and resid 1921 and name HE22)) ASSI { 114} (( segid " " and resid 1918 and name HB3 )) (( segid " " and resid 1917 and name HB2 )) 4.100 2.100 1.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.72559E-03 ppm1 3.279 ppm2 1.873 CV 1 OR { 114} (( segid " " and resid 1918 and name HB2 )) (( segid " " and resid 1917 and name HB2 )) ASSI { 115} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1914 and name H )) 4.800 2.900 1.200 peak 115 spectrum 1 weight 0.10000E+01 volume 0.37480E-03 ppm1 3.270 ppm2 8.217 CV 1 OR { 115} (( segid " " and resid 1915 and name HB3 )) (( segid " " and resid 1914 and name H )) ASSI { 117} (( segid " " and resid 1917 and name HE2 )) (( segid " " and resid 1917 and name HA )) 4.400 2.400 1.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.44076E-03 ppm1 2.756 ppm2 3.594 CV 1 ASSI { 122} (( segid " " and resid 1914 and name HA )) (( segid " " and resid 1917 and name HG3 )) 3.600 1.600 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.83655E-03 ppm1 3.962 ppm2 1.622 CV 1 OR { 122} (( segid " " and resid 1914 and name HA )) (( segid " " and resid 1917 and name HD2 )) ASSI { 125} (( segid " " and resid 1913 and name HA3 )) (( segid " " and resid 1904 and name H )) 3.800 1.900 1.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.22398E-02 ppm1 4.093 ppm2 7.741 CV 1 ASSI { 130} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1912 and name H )) 3.900 1.900 1.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.10555E-02 ppm1 1.137 ppm2 7.962 CV 1 ASSI { 131} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1909 and name HB2 )) 4.100 2.100 1.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.56969E-03 ppm1 1.136 ppm2 2.699 CV 1 ASSI { 132} ( segid " " and resid 1834 and name HB% ) ( segid " " and resid 1893 and name HD% ) 3.400 1.500 1.500 peak 132 spectrum 1 weight 0.10000E+01 volume 0.18650E-02 ppm1 1.585 ppm2 6.774 CV 1 ASSI { 134} (( segid " " and resid 1905 and name HA )) (( segid " " and resid 1906 and name H )) 3.400 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 3.752 ppm2 8.028 CV 1 ASSI { 135} (( segid " " and resid 1905 and name HA )) (( segid " " and resid 1905 and name HB )) 2.900 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.25037E-02 ppm1 3.756 ppm2 2.074 CV 1 ASSI { 136} ( segid " " and resid 1905 and name HG2%) (( segid " " and resid 1905 and name HB )) 2.200 0.600 0.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.11457E-01 ppm1 0.939 ppm2 2.071 CV 1 ASSI { 137} (( segid " " and resid 1905 and name HB )) ( segid " " and resid 1905 and name HG1%) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.57089E-02 ppm1 2.081 ppm2 1.022 CV 1 ASSI { 138} (( segid " " and resid 1902 and name HA )) (( segid " " and resid 1905 and name HB )) 2.900 1.100 1.100 peak 138 spectrum 1 weight 0.10000E+01 volume 0.21289E-02 ppm1 4.186 ppm2 2.075 CV 1 ASSI { 149} (( segid " " and resid 1892 and name HA )) (( segid " " and resid 1895 and name HB2 )) 2.700 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.21858E-02 ppm1 4.532 ppm2 1.866 CV 1 ASSI { 150} (( segid " " and resid 1892 and name HB2 )) (( segid " " and resid 1892 and name HB3 )) 2.200 0.600 0.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.39519E-02 ppm1 2.342 ppm2 2.756 CV 1 ASSI { 151} (( segid " " and resid 1892 and name HA )) (( segid " " and resid 1895 and name HD2 )) 3.200 1.300 1.300 peak 151 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 4.530 ppm2 3.174 CV 1 OR { 151} (( segid " " and resid 1892 and name HA )) (( segid " " and resid 1895 and name HD3 )) ASSI { 152} (( segid " " and resid 1813 and name HA )) (( segid " " and resid 1813 and name HB3 )) 3.100 1.200 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.15742E-02 ppm1 4.590 ppm2 3.060 CV 1 ASSI { 153} (( segid " " and resid 1891 and name HB3 )) (( segid " " and resid 1890 and name HB )) 4.100 2.100 1.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.34482E-03 ppm1 3.898 ppm2 4.397 CV 1 OR { 153} (( segid " " and resid 1891 and name HB2 )) (( segid " " and resid 1890 and name HB )) ASSI { 154} (( segid " " and resid 1891 and name HB3 )) (( segid " " and resid 1891 and name H )) 2.500 0.800 0.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.48304E-02 ppm1 3.944 ppm2 8.113 CV 1 OR { 154} (( segid " " and resid 1891 and name HB2 )) (( segid " " and resid 1891 and name H )) ASSI { 157} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1889 and name HG )) 2.300 0.700 0.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.62396E-02 ppm1 1.014 ppm2 1.524 CV 1 ASSI { 160} (( segid " " and resid 1888 and name HG2 )) (( segid " " and resid 1888 and name H )) 3.200 1.300 1.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.40418E-02 ppm1 2.375 ppm2 7.996 CV 1 OR { 160} (( segid " " and resid 1888 and name HG3 )) (( segid " " and resid 1888 and name H )) ASSI { 161} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1891 and name H )) 3.600 1.700 1.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.93252E-03 ppm1 4.416 ppm2 8.110 CV 1 ASSI { 163} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1885 and name HA )) 3.400 3.400 2.600 peak 163 spectrum 1 weight 0.10000E+01 volume 0.19819E-02 ppm1 4.413 ppm2 4.102 CV 1 ASSI { 164} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1888 and name HB2 )) 4.400 2.500 1.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.45875E-03 ppm1 2.758 ppm2 2.250 CV 1 OR { 164} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1888 and name HB3 )) ASSI { 166} (( segid " " and resid 1887 and name HB3 )) (( segid " " and resid 1884 and name HB2 )) 4.400 2.400 1.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.54571E-03 ppm1 2.872 ppm2 1.914 CV 1 ASSI { 167} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1884 and name HB2 )) 4.200 2.200 1.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.47075E-03 ppm1 2.758 ppm2 1.912 CV 1 ASSI { 168} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1885 and name HA )) 3.500 1.500 1.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.19040E-02 ppm1 1.467 ppm2 4.096 CV 1 ASSI { 170} ( segid " " and resid 1828 and name HG1%) (( segid " " and resid 1829 and name H )) 2.900 1.100 1.100 peak 170 spectrum 1 weight 0.10000E+01 volume 0.18350E-02 ppm1 0.935 ppm2 8.360 CV 1 ASSI { 176} (( segid " " and resid 1947 and name HG3 )) (( segid " " and resid 1947 and name HB2 )) 2.600 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.28245E-02 ppm1 1.413 ppm2 1.887 CV 1 OR { 176} (( segid " " and resid 1947 and name HG3 )) (( segid " " and resid 1947 and name HB3 )) ASSI { 180} (( segid " " and resid 1881 and name HA )) (( segid " " and resid 1884 and name HD2 )) 2.700 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.23267E-02 ppm1 4.265 ppm2 3.672 CV 1 ASSI { 182} (( segid " " and resid 1880 and name HA )) (( segid " " and resid 1880 and name HB2 )) 2.200 0.600 0.600 peak 182 spectrum 1 weight 0.10000E+01 volume 0.10428E-01 ppm1 4.258 ppm2 2.058 CV 1 OR { 182} (( segid " " and resid 1880 and name HA )) (( segid " " and resid 1880 and name HB3 )) ASSI { 183} (( segid " " and resid 1880 and name HA )) (( segid " " and resid 1938 and name HE21)) 4.100 2.100 1.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.47375E-03 ppm1 4.255 ppm2 6.686 CV 1 ASSI { 184} (( segid " " and resid 1880 and name HA )) (( segid " " and resid 1938 and name HE22)) 3.900 1.900 1.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.53371E-03 ppm1 4.259 ppm2 7.087 CV 1 ASSI { 186} (( segid " " and resid 1880 and name HB2 )) (( segid " " and resid 1880 and name H )) 3.000 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.23448E-02 ppm1 2.076 ppm2 9.436 CV 1 OR { 186} (( segid " " and resid 1880 and name HB3 )) (( segid " " and resid 1880 and name H )) ASSI { 193} (( segid " " and resid 1958 and name HA )) (( segid " " and resid 1957 and name HB )) 3.600 1.600 1.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.78557E-03 ppm1 3.905 ppm2 2.179 CV 1 ASSI { 194} (( segid " " and resid 1878 and name HA )) (( segid " " and resid 1881 and name H )) 4.200 2.200 1.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.37780E-03 ppm1 4.894 ppm2 8.088 CV 1 ASSI { 196} (( segid " " and resid 1877 and name HA )) (( segid " " and resid 1876 and name HB3 )) 4.100 2.100 1.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.62366E-03 ppm1 4.424 ppm2 2.866 CV 1 OR { 196} (( segid " " and resid 1877 and name HA )) (( segid " " and resid 1876 and name HB2 )) ASSI { 197} (( segid " " and resid 1876 and name HA )) (( segid " " and resid 1947 and name HD2 )) 3.000 1.100 1.100 peak 197 spectrum 1 weight 0.10000E+01 volume 0.15171E-02 ppm1 4.718 ppm2 1.646 CV 1 OR { 197} (( segid " " and resid 1876 and name HA )) (( segid " " and resid 1947 and name HD3 )) ASSI { 198} (( segid " " and resid 1876 and name HB3 )) (( segid " " and resid 1876 and name HD22)) 4.300 2.300 1.700 peak 198 spectrum 1 weight 0.10000E+01 volume 0.61767E-03 ppm1 2.859 ppm2 6.800 CV 1 OR { 198} (( segid " " and resid 1876 and name HB2 )) (( segid " " and resid 1876 and name HD22)) ASSI { 206} (( segid " " and resid 1828 and name HB )) (( segid " " and resid 1828 and name H )) 2.700 0.900 0.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.24976E-02 ppm1 2.053 ppm2 8.135 CV 1 ASSI { 207} (( segid " " and resid 1840 and name HB2 )) (( segid " " and resid 1840 and name HG2 )) 2.600 0.800 0.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.53521E-02 ppm1 2.046 ppm2 2.234 CV 1 OR { 207} (( segid " " and resid 1840 and name HB2 )) (( segid " " and resid 1840 and name HG3 )) ASSI { 218} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1858 and name HB )) 4.200 2.200 1.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 1.378 ppm2 2.088 CV 1 ASSI { 219} ( segid " " and resid 1860 and name HG2%) ( segid " " and resid 1896 and name HD2%) 2.700 0.900 0.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.59038E-02 ppm1 1.158 ppm2 0.874 CV 1 OR { 219} ( segid " " and resid 1860 and name HG2%) ( segid " " and resid 1896 and name HD1%) ASSI { 220} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1896 and name HG )) 2.500 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.51542E-02 ppm1 1.158 ppm2 1.373 CV 1 OR { 220} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1896 and name HB2 )) ASSI { 221} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1895 and name HB2 )) 2.500 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.36850E-02 ppm1 1.157 ppm2 1.857 CV 1 ASSI { 223} (( segid " " and resid 1873 and name HA )) (( segid " " and resid 1876 and name HB2 )) 3.500 1.500 1.500 peak 223 spectrum 1 weight 0.10000E+01 volume 0.98948E-03 ppm1 3.920 ppm2 2.878 CV 1 OR { 223} (( segid " " and resid 1873 and name HA )) (( segid " " and resid 1876 and name HB3 )) ASSI { 231} (( segid " " and resid 1843 and name HB3 )) (( segid " " and resid 1843 and name H )) 3.800 1.800 1.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.62666E-03 ppm1 1.933 ppm2 8.505 CV 1 ASSI { 237} (( segid " " and resid 1847 and name HB3 )) (( segid " " and resid 1847 and name HG3 )) 2.900 1.100 1.100 peak 237 spectrum 1 weight 0.10000E+01 volume 0.32202E-02 ppm1 1.898 ppm2 2.179 CV 1 ASSI { 238} (( segid " " and resid 1847 and name HB2 )) (( segid " " and resid 1847 and name HG3 )) 2.400 0.700 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.69295E-02 ppm1 2.081 ppm2 2.179 CV 1 ASSI { 239} (( segid " " and resid 1870 and name HG3 )) (( segid " " and resid 1870 and name H )) 3.100 1.200 1.200 peak 239 spectrum 1 weight 0.10000E+01 volume 0.38829E-02 ppm1 2.248 ppm2 8.343 CV 1 ASSI { 244} (( segid " " and resid 1844 and name HA2 )) (( segid " " and resid 1846 and name HD3 )) 2.500 0.800 0.800 peak 244 spectrum 1 weight 0.10000E+01 volume 0.56879E-02 ppm1 3.933 ppm2 3.707 CV 1 ASSI { 245} (( segid " " and resid 1842 and name HA )) (( segid " " and resid 1901 and name HD2 )) 3.800 1.800 1.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.59668E-03 ppm1 4.365 ppm2 1.713 CV 1 OR { 245} (( segid " " and resid 1842 and name HA )) (( segid " " and resid 1901 and name HD3 )) ASSI { 246} (( segid " " and resid 1842 and name HA )) (( segid " " and resid 1901 and name HE3 )) 3.500 1.500 1.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.77360E-03 ppm1 4.366 ppm2 2.975 CV 1 OR { 246} (( segid " " and resid 1842 and name HA )) (( segid " " and resid 1901 and name HE2 )) ASSI { 248} (( segid " " and resid 1840 and name HA )) (( segid " " and resid 1840 and name HG3 )) 2.800 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.38169E-02 ppm1 4.348 ppm2 2.231 CV 1 OR { 248} (( segid " " and resid 1840 and name HA )) (( segid " " and resid 1840 and name HG2 )) ASSI { 251} (( segid " " and resid 1838 and name HB3 )) ( segid " " and resid 1838 and name HD2%) 2.600 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.36910E-02 ppm1 1.464 ppm2 0.955 CV 1 OR { 251} (( segid " " and resid 1838 and name HB3 )) ( segid " " and resid 1838 and name HD1%) ASSI { 253} (( segid " " and resid 1838 and name HB3 )) (( segid " " and resid 1921 and name HE22)) 4.300 2.300 1.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.65363E-03 ppm1 1.468 ppm2 7.276 CV 1 OR { 253} (( segid " " and resid 1838 and name HB3 )) (( segid " " and resid 1921 and name HE21)) ASSI { 254} (( segid " " and resid 1837 and name HG3 )) (( segid " " and resid 1839 and name H )) 4.400 2.400 1.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.60567E-03 ppm1 2.605 ppm2 7.489 CV 1 ASSI { 255} (( segid " " and resid 1837 and name HG2 )) (( segid " " and resid 1839 and name H )) 4.300 2.300 1.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.68362E-03 ppm1 2.451 ppm2 7.489 CV 1 ASSI { 256} (( segid " " and resid 1837 and name HG3 )) (( segid " " and resid 1841 and name H )) 3.500 3.500 2.500 peak 256 spectrum 1 weight 0.10000E+01 volume 0.92048E-03 ppm1 2.601 ppm2 8.333 CV 1 ASSI { 257} (( segid " " and resid 1869 and name HB3 )) (( segid " " and resid 1870 and name H )) 3.600 1.600 1.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.11244E-02 ppm1 2.245 ppm2 8.335 CV 1 OR { 257} (( segid " " and resid 1869 and name HB2 )) (( segid " " and resid 1870 and name H )) ASSI { 260} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1921 and name HE22)) 2.500 0.800 0.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.39818E-02 ppm1 0.794 ppm2 7.277 CV 1 OR { 260} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1921 and name HE21)) ASSI { 261} (( segid " " and resid 1835 and name HA )) ( segid " " and resid 1893 and name HE% ) 4.200 2.200 1.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.41978E-03 ppm1 3.596 ppm2 6.628 CV 1 ASSI { 262} ( segid " " and resid 1832 and name HG2%) (( segid " " and resid 1832 and name H )) 3.600 1.600 1.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.21018E-02 ppm1 1.185 ppm2 8.596 CV 1 ASSI { 266} ( segid " " and resid 1835 and name HG2%) ( segid " " and resid 1832 and name HG2%) 5.100 3.300 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.19490E-03 ppm1 0.801 ppm2 1.195 CV 1 ASSI { 267} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1923 and name HB2 )) 4.600 2.600 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.83655E-03 ppm1 0.602 ppm2 2.373 CV 1 ASSI { 269} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1890 and name HA )) 4.900 2.900 1.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.75861E-03 ppm1 0.602 ppm2 3.560 CV 1 ASSI { 272} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1893 and name HD% ) 3.300 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.10314E-02 ppm1 0.600 ppm2 6.746 CV 1 ASSI { 273} ( segid " " and resid 1831 and name HD1%) ( segid " " and resid 1893 and name HD% ) 4.600 2.600 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.56969E-03 ppm1 0.652 ppm2 6.768 CV 1 ASSI { 275} (( segid " " and resid 1829 and name HA )) (( segid " " and resid 1831 and name H )) 3.500 1.500 1.500 peak 275 spectrum 1 weight 0.10000E+01 volume 0.92351E-03 ppm1 4.371 ppm2 8.289 CV 1 ASSI { 277} (( segid " " and resid 1829 and name HB3 )) (( segid " " and resid 1831 and name H )) 4.100 2.100 1.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.71059E-03 ppm1 2.723 ppm2 8.286 CV 1 ASSI { 278} (( segid " " and resid 1829 and name HB2 )) (( segid " " and resid 1831 and name H )) 4.000 2.000 2.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.12623E-02 ppm1 2.632 ppm2 8.284 CV 1 ASSI { 279} (( segid " " and resid 1828 and name HA )) (( segid " " and resid 1829 and name H )) 3.400 1.400 1.400 peak 279 spectrum 1 weight 0.10000E+01 volume 0.87556E-03 ppm1 3.435 ppm2 8.363 CV 1 ASSI { 280} (( segid " " and resid 1826 and name HA3 )) (( segid " " and resid 1829 and name H )) 4.500 2.500 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.44976E-03 ppm1 3.881 ppm2 8.351 CV 1 ASSI { 283} (( segid " " and resid 1935 and name HA3 )) (( segid " " and resid 1934 and name H )) 5.400 3.700 0.600 peak 283 spectrum 1 weight 0.10000E+01 volume 0.21588E-03 ppm1 3.649 ppm2 8.788 CV 1 ASSI { 284} (( segid " " and resid 1825 and name HA3 )) (( segid " " and resid 1828 and name HB )) 4.500 2.500 1.500 peak 284 spectrum 1 weight 0.10000E+01 volume 0.84556E-03 ppm1 3.873 ppm2 2.057 CV 1 ASSI { 286} (( segid " " and resid 1824 and name HA )) (( segid " " and resid 1827 and name HG2 )) 3.400 1.400 1.400 peak 286 spectrum 1 weight 0.10000E+01 volume 0.14303E-02 ppm1 4.036 ppm2 2.617 CV 1 OR { 286} (( segid " " and resid 1824 and name HA )) (( segid " " and resid 1827 and name HG3 )) ASSI { 288} (( segid " " and resid 1821 and name HA )) ( segid " " and resid 1823 and name HG1%) 3.500 1.600 1.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.12473E-02 ppm1 4.181 ppm2 0.944 CV 1 OR { 288} (( segid " " and resid 1821 and name HA )) ( segid " " and resid 1823 and name HG2%) ASSI { 296} (( segid " " and resid 1812 and name HA )) (( segid " " and resid 1812 and name HB3 )) 3.000 1.100 1.100 peak 296 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 4.281 ppm2 1.582 CV 1 ASSI { 300} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1910 and name HG3 )) 4.400 2.500 1.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.56969E-03 ppm1 4.611 ppm2 2.290 CV 1 OR { 300} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1910 and name HG2 )) ASSI { 304} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1831 and name HB )) 4.500 2.500 1.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.90851E-03 ppm1 1.261 ppm2 1.759 CV 1 ASSI { 305} (( segid " " and resid 1890 and name HA )) (( segid " " and resid 1831 and name HG12)) 3.900 1.900 1.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 3.539 ppm2 2.098 CV 1 OR { 305} (( segid " " and resid 1890 and name HA )) (( segid " " and resid 1831 and name HG13)) ASSI { 307} (( segid " " and resid 1932 and name HB )) (( segid " " and resid 1929 and name HA )) 3.000 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.19819E-02 ppm1 4.381 ppm2 4.106 CV 1 ASSI { 311} (( segid " " and resid 1879 and name HA )) (( segid " " and resid 1880 and name H )) 3.400 1.400 1.400 peak 311 spectrum 1 weight 0.10000E+01 volume 0.68066E-03 ppm1 3.924 ppm2 9.432 CV 1 ASSI { 313} (( segid " " and resid 1879 and name HG2 )) (( segid " " and resid 1880 and name H )) 3.000 1.100 1.100 peak 313 spectrum 1 weight 0.10000E+01 volume 0.13882E-02 ppm1 2.060 ppm2 9.436 CV 1 OR { 313} (( segid " " and resid 1879 and name HG3 )) (( segid " " and resid 1880 and name H )) ASSI { 316} (( segid " " and resid 1874 and name HD3 )) (( segid " " and resid 1881 and name HG3 )) 3.600 1.600 1.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.46775E-03 ppm1 1.552 ppm2 2.226 CV 1 OR { 316} (( segid " " and resid 1874 and name HD3 )) (( segid " " and resid 1881 and name HG2 )) ASSI { 317} (( segid " " and resid 1875 and name HA )) (( segid " " and resid 1879 and name HG3 )) 4.400 2.400 1.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.77959E-03 ppm1 3.726 ppm2 2.066 CV 1 OR { 317} (( segid " " and resid 1875 and name HA )) (( segid " " and resid 1879 and name HG2 )) ASSI { 320} (( segid " " and resid 1917 and name HG3 )) (( segid " " and resid 1917 and name HD3 )) 2.700 0.900 0.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.29294E-02 ppm1 1.600 ppm2 1.745 CV 1 OR { 320} (( segid " " and resid 1917 and name HG3 )) (( segid " " and resid 1917 and name HB3 )) ASSI { 323} (( segid " " and resid 1870 and name HG2 )) (( segid " " and resid 1870 and name H )) 3.500 1.600 1.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.30074E-02 ppm1 2.340 ppm2 8.345 CV 1 ASSI { 324} (( segid " " and resid 1870 and name HG2 )) (( segid " " and resid 1867 and name HA )) 3.500 1.600 1.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.14392E-02 ppm1 2.340 ppm2 3.797 CV 1 ASSI { 326} ( segid " " and resid 1871 and name HE% ) (( segid " " and resid 1934 and name H )) 3.500 1.500 1.500 peak 326 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 1.803 ppm2 8.793 CV 1 ASSI { 329} (( segid " " and resid 1871 and name HG2 )) (( segid " " and resid 1868 and name HA )) 4.000 2.000 2.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.93548E-03 ppm1 2.101 ppm2 3.469 CV 1 ASSI { 333} (( segid " " and resid 1857 and name HG3 )) (( segid " " and resid 1899 and name HB3 )) 3.200 1.200 1.200 peak 333 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 2.884 ppm2 2.054 CV 1 ASSI { 336} (( segid " " and resid 1811 and name HB2 )) (( segid " " and resid 1812 and name HD2 )) 5.200 3.400 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.10195E-03 ppm1 2.714 ppm2 3.790 CV 1 ASSI { 337} (( segid " " and resid 1811 and name HA )) (( segid " " and resid 1811 and name HB2 )) 3.200 1.300 1.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.13493E-02 ppm1 4.821 ppm2 2.701 CV 1 ASSI { 340} (( segid " " and resid 1958 and name HB3 )) ( segid " " and resid 1868 and name HG1%) 3.300 1.300 1.300 peak 340 spectrum 1 weight 0.10000E+01 volume 0.22728E-02 ppm1 3.991 ppm2 0.921 CV 1 OR { 340} (( segid " " and resid 1958 and name HB3 )) ( segid " " and resid 1868 and name HG2%) ASSI { 342} (( segid " " and resid 1949 and name HG3 )) ( segid " " and resid 1945 and name HE% ) 4.000 2.000 2.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.15592E-03 ppm1 2.308 ppm2 6.787 CV 1 ASSI { 343} ( segid " " and resid 1827 and name HE% ) ( segid " " and resid 1886 and name HB% ) 2.200 0.600 0.600 peak 343 spectrum 1 weight 0.10000E+01 volume 0.10387E-01 ppm1 2.011 ppm2 1.463 CV 1 ASSI { 345} ( segid " " and resid 1827 and name HE% ) (( segid " " and resid 1824 and name HA )) 2.200 0.600 0.600 peak 345 spectrum 1 weight 0.10000E+01 volume 0.11490E-01 ppm1 2.010 ppm2 4.038 CV 1 ASSI { 346} (( segid " " and resid 1963 and name HB3 )) (( segid " " and resid 1919 and name HB3 )) 3.800 1.800 1.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.66264E-03 ppm1 3.037 ppm2 1.991 CV 1 OR { 346} (( segid " " and resid 1963 and name HB3 )) (( segid " " and resid 1919 and name HG2 )) ASSI { 347} (( segid " " and resid 1933 and name HG3 )) ( segid " " and resid 1950 and name HD1%) 3.800 1.800 1.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.46775E-03 ppm1 1.456 ppm2 0.771 CV 1 ASSI { 350} (( segid " " and resid 1922 and name HG2 )) (( segid " " and resid 1919 and name HD2 )) 4.900 3.100 1.100 peak 350 spectrum 1 weight 0.10000E+01 volume 0.35081E-03 ppm1 2.427 ppm2 3.041 CV 1 OR { 350} (( segid " " and resid 1922 and name HG2 )) (( segid " " and resid 1919 and name HD3 )) ASSI { 352} (( segid " " and resid 1911 and name HG2 )) (( segid " " and resid 1912 and name H )) 4.100 2.100 1.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.96547E-03 ppm1 2.102 ppm2 7.957 CV 1 ASSI { 353} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1940 and name HA )) 3.800 1.800 1.800 peak 353 spectrum 1 weight 0.10000E+01 volume 0.70164E-03 ppm1 4.553 ppm2 4.816 CV 1 ASSI { 355} (( segid " " and resid 1838 and name HB2 )) (( segid " " and resid 1921 and name HE22)) 2.900 1.000 1.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.12293E-02 ppm1 2.009 ppm2 7.280 CV 1 OR { 355} (( segid " " and resid 1838 and name HB2 )) (( segid " " and resid 1921 and name HE21)) ASSI { 358} ( segid " " and resid 1968 and name HD2%) (( segid " " and resid 1968 and name HG )) 1.800 0.400 0.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.23561E-01 ppm1 0.927 ppm2 0.782 CV 1 OR { 358} ( segid " " and resid 1968 and name HD1%) (( segid " " and resid 1968 and name HG )) ASSI { 361} ( segid " " and resid 1965 and name HD2%) ( segid " " and resid 1965 and name HD1%) 1.900 0.400 0.400 peak 361 spectrum 1 weight 0.10000E+01 volume 0.26071E-01 ppm1 0.933 ppm2 0.840 CV 1 ASSI { 363} ( segid " " and resid 1964 and name HG2%) ( segid " " and resid 1964 and name HG1%) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.19436E-01 ppm1 1.016 ppm2 0.824 CV 1 ASSI { 364} ( segid " " and resid 1961 and name HG1%) ( segid " " and resid 1864 and name HD1%) 4.200 2.300 1.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.65665E-03 ppm1 0.914 ppm2 0.719 CV 1 ASSI { 365} ( segid " " and resid 1961 and name HG1%) ( segid " " and resid 1961 and name HG2%) 1.900 0.500 0.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.21132E-01 ppm1 0.915 ppm2 1.001 CV 1 ASSI { 366} ( segid " " and resid 1961 and name HG2%) ( segid " " and resid 1864 and name HD1%) 2.100 0.600 0.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.80328E-02 ppm1 1.006 ppm2 0.718 CV 1 ASSI { 368} ( segid " " and resid 1961 and name HG2%) (( segid " " and resid 1864 and name HG12)) 2.700 0.900 0.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.50283E-02 ppm1 1.010 ppm2 1.097 CV 1 ASSI { 369} ( segid " " and resid 1951 and name HG2%) ( segid " " and resid 1951 and name HD1%) 2.700 0.900 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.32652E-02 ppm1 0.890 ppm2 0.813 CV 1 ASSI { 372} ( segid " " and resid 1950 and name HD2%) ( segid " " and resid 1930 and name HD2%) 2.100 0.500 0.500 peak 372 spectrum 1 weight 0.10000E+01 volume 0.18125E-01 ppm1 0.748 ppm2 0.923 CV 1 ASSI { 373} ( segid " " and resid 1937 and name HD2%) ( segid " " and resid 1946 and name HG2%) 2.600 0.800 0.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.49353E-02 ppm1 0.967 ppm2 1.134 CV 1 ASSI { 374} ( segid " " and resid 1920 and name HG2%) ( segid " " and resid 1920 and name HG1%) 2.000 0.500 0.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.19951E-01 ppm1 0.971 ppm2 0.807 CV 1 ASSI { 375} ( segid " " and resid 1931 and name HG1%) ( segid " " and resid 1831 and name HD1%) 2.300 0.700 0.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.66476E-02 ppm1 1.000 ppm2 0.642 CV 1 ASSI { 376} ( segid " " and resid 1931 and name HG2%) ( segid " " and resid 1831 and name HD1%) 2.600 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.34841E-02 ppm1 0.948 ppm2 0.642 CV 1 ASSI { 377} ( segid " " and resid 1931 and name HG1%) ( segid " " and resid 1889 and name HD2%) 2.500 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.46205E-02 ppm1 0.999 ppm2 0.853 CV 1 ASSI { 379} ( segid " " and resid 1923 and name HD1%) ( segid " " and resid 1964 and name HG1%) 2.600 2.600 3.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.73698E-02 ppm1 1.015 ppm2 0.841 CV 1 ASSI { 380} ( segid " " and resid 1923 and name HD1%) ( segid " " and resid 1864 and name HD1%) 3.000 1.100 1.100 peak 380 spectrum 1 weight 0.10000E+01 volume 0.18110E-02 ppm1 1.013 ppm2 0.718 CV 1 ASSI { 381} ( segid " " and resid 1838 and name HD1%) ( segid " " and resid 1920 and name HG1%) 2.100 0.500 0.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.12926E-01 ppm1 0.983 ppm2 0.798 CV 1 ASSI { 382} ( segid " " and resid 1923 and name HD2%) ( segid " " and resid 1864 and name HD1%) 2.700 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.21588E-02 ppm1 0.989 ppm2 0.719 CV 1 ASSI { 384} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1920 and name HB )) 2.600 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.28335E-02 ppm1 0.981 ppm2 2.255 CV 1 ASSI { 386} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1838 and name HG )) 2.200 0.600 0.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.73672E-02 ppm1 0.977 ppm2 1.874 CV 1 ASSI { 387} ( segid " " and resid 1923 and name HD2%) (( segid " " and resid 1923 and name HG )) 2.300 0.700 0.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.60927E-02 ppm1 0.984 ppm2 1.665 CV 1 ASSI { 389} ( segid " " and resid 1838 and name HD1%) ( segid " " and resid 1900 and name HB% ) 2.500 0.800 0.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.59278E-02 ppm1 0.981 ppm2 1.399 CV 1 ASSI { 390} (( segid " " and resid 1973 and name HB3 )) (( segid " " and resid 1973 and name HG2 )) 2.200 0.600 0.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.12090E-01 ppm1 1.681 ppm2 1.548 CV 1 OR { 390} (( segid " " and resid 1973 and name HB3 )) (( segid " " and resid 1973 and name HG3 )) ASSI { 393} (( segid " " and resid 1973 and name HB2 )) (( segid " " and resid 1973 and name HG3 )) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.35051E-02 ppm1 1.814 ppm2 1.559 CV 1 OR { 393} (( segid " " and resid 1973 and name HB2 )) (( segid " " and resid 1973 and name HG2 )) ASSI { 394} (( segid " " and resid 1973 and name HB2 )) (( segid " " and resid 1973 and name HB3 )) 1.700 0.300 0.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.24020E-01 ppm1 1.819 ppm2 1.682 CV 1 ASSI { 395} (( segid " " and resid 1973 and name HA )) (( segid " " and resid 1973 and name HB3 )) 2.600 0.800 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.44645E-02 ppm1 4.126 ppm2 1.670 CV 1 ASSI { 397} (( segid " " and resid 1973 and name HA )) (( segid " " and resid 1973 and name HB2 )) 2.600 0.900 0.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.51722E-02 ppm1 4.136 ppm2 1.817 CV 1 ASSI { 398} (( segid " " and resid 1973 and name HB3 )) (( segid " " and resid 1973 and name HD2 )) 3.700 1.700 1.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.70763E-03 ppm1 1.682 ppm2 3.135 CV 1 OR { 398} (( segid " " and resid 1973 and name HB3 )) (( segid " " and resid 1973 and name HD3 )) ASSI { 399} (( segid " " and resid 1973 and name HA )) (( segid " " and resid 1973 and name HD3 )) 3.900 1.900 1.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.98948E-03 ppm1 4.134 ppm2 3.138 CV 1 OR { 399} (( segid " " and resid 1973 and name HA )) (( segid " " and resid 1973 and name HD2 )) ASSI { 400} (( segid " " and resid 1956 and name HD2 )) (( segid " " and resid 1956 and name HD3 )) 1.400 0.200 0.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.58478E-01 ppm1 3.232 ppm2 3.166 CV 1 ASSI { 408} (( segid " " and resid 1972 and name HA )) (( segid " " and resid 1972 and name H )) 3.700 1.700 1.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.53371E-03 ppm1 4.685 ppm2 8.088 CV 1 ASSI { 409} (( segid " " and resid 1972 and name HB2 )) (( segid " " and resid 1972 and name H )) 3.800 1.800 1.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.50973E-03 ppm1 2.807 ppm2 8.090 CV 1 ASSI { 414} (( segid " " and resid 1853 and name HB2 )) ( segid " " and resid 1853 and name HD% ) 2.800 1.000 1.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.21678E-02 ppm1 2.820 ppm2 6.955 CV 1 ASSI { 415} (( segid " " and resid 1853 and name HB3 )) ( segid " " and resid 1853 and name HD% ) 3.000 1.100 1.100 peak 415 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 2.542 ppm2 6.957 CV 1 ASSI { 416} (( segid " " and resid 1972 and name HB2 )) (( segid " " and resid 1972 and name HA )) 2.700 0.900 0.900 peak 416 spectrum 1 weight 0.10000E+01 volume 0.36910E-02 ppm1 2.807 ppm2 4.691 CV 1 ASSI { 417} (( segid " " and resid 1972 and name HB3 )) (( segid " " and resid 1972 and name HA )) 2.800 1.000 1.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.34751E-02 ppm1 2.739 ppm2 4.691 CV 1 ASSI { 420} (( segid " " and resid 1971 and name HA2 )) ( segid " " and resid 1912 and name HG2%) 3.300 1.300 1.300 peak 420 spectrum 1 weight 0.10000E+01 volume 0.12683E-02 ppm1 3.926 ppm2 0.835 CV 1 ASSI { 421} (( segid " " and resid 1971 and name HA3 )) ( segid " " and resid 1912 and name HG2%) 3.200 1.300 1.300 peak 421 spectrum 1 weight 0.10000E+01 volume 0.10944E-02 ppm1 3.727 ppm2 0.840 CV 1 ASSI { 422} (( segid " " and resid 1971 and name HA2 )) ( segid " " and resid 1912 and name HD1%) 3.000 1.200 1.200 peak 422 spectrum 1 weight 0.10000E+01 volume 0.12054E-02 ppm1 3.930 ppm2 0.759 CV 1 ASSI { 423} (( segid " " and resid 1971 and name HA3 )) ( segid " " and resid 1912 and name HD1%) 4.300 2.300 1.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.71960E-03 ppm1 3.724 ppm2 0.754 CV 1 ASSI { 424} (( segid " " and resid 1971 and name HA2 )) ( segid " " and resid 1970 and name HB% ) 4.200 2.200 1.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.41678E-03 ppm1 3.927 ppm2 1.440 CV 1 ASSI { 425} (( segid " " and resid 1971 and name HA3 )) ( segid " " and resid 1970 and name HB% ) 4.600 2.700 1.400 peak 425 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 3.722 ppm2 1.420 CV 1 ASSI { 426} (( segid " " and resid 1971 and name HA2 )) (( segid " " and resid 1971 and name HA3 )) 1.700 0.300 0.500 peak 426 spectrum 1 weight 0.10000E+01 volume 0.24251E-01 ppm1 3.931 ppm2 3.725 CV 1 ASSI { 428} (( segid " " and resid 1971 and name HA3 )) ( segid " " and resid 1850 and name HE% ) 3.000 1.200 1.200 peak 428 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 3.727 ppm2 7.164 CV 1 ASSI { 430} (( segid " " and resid 1971 and name HA3 )) (( segid " " and resid 1971 and name H )) 2.600 0.800 0.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.30823E-02 ppm1 3.725 ppm2 8.193 CV 1 ASSI { 431} (( segid " " and resid 1971 and name HA2 )) (( segid " " and resid 1908 and name H )) 4.800 2.800 1.200 peak 431 spectrum 1 weight 0.10000E+01 volume 0.53971E-04 ppm1 3.919 ppm2 8.074 CV 1 ASSI { 434} (( segid " " and resid 1970 and name HA )) (( segid " " and resid 1969 and name H )) 4.500 2.500 1.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.50673E-03 ppm1 4.249 ppm2 7.793 CV 1 ASSI { 435} ( segid " " and resid 1970 and name HB% ) (( segid " " and resid 1967 and name H )) 2.700 2.700 3.300 peak 435 spectrum 1 weight 0.10000E+01 volume 0.15262E-02 ppm1 1.427 ppm2 7.806 CV 1 ASSI { 436} (( segid " " and resid 1970 and name HA )) (( segid " " and resid 1970 and name H )) 2.600 0.800 0.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.55080E-02 ppm1 4.251 ppm2 7.645 CV 1 ASSI { 437} ( segid " " and resid 1970 and name HB% ) (( segid " " and resid 1970 and name H )) 2.200 0.600 0.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.10842E-01 ppm1 1.431 ppm2 7.644 CV 1 ASSI { 438} (( segid " " and resid 1970 and name HA )) ( segid " " and resid 1970 and name HB% ) 2.100 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.15385E-01 ppm1 4.251 ppm2 1.429 CV 1 ASSI { 439} ( segid " " and resid 1970 and name HB% ) ( segid " " and resid 1912 and name HG2%) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.43956E-02 ppm1 1.432 ppm2 0.837 CV 1 ASSI { 440} ( segid " " and resid 1970 and name HB% ) ( segid " " and resid 1912 and name HD1%) 2.700 0.900 0.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.37990E-02 ppm1 1.430 ppm2 0.759 CV 1 ASSI { 441} (( segid " " and resid 1968 and name HA )) (( segid " " and resid 1916 and name HG12)) 3.500 1.600 1.600 peak 441 spectrum 1 weight 0.10000E+01 volume 0.59968E-03 ppm1 4.177 ppm2 0.693 CV 1 OR { 441} (( segid " " and resid 1968 and name HA )) (( segid " " and resid 1916 and name HG13)) ASSI { 442} (( segid " " and resid 1921 and name HB3 )) (( segid " " and resid 1835 and name HG12)) 3.600 1.600 1.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.82458E-03 ppm1 2.119 ppm2 0.933 CV 1 ASSI { 443} (( segid " " and resid 1968 and name HA )) (( segid " " and resid 1968 and name HB3 )) 2.400 0.700 0.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.34601E-02 ppm1 4.177 ppm2 1.419 CV 1 ASSI { 444} (( segid " " and resid 1969 and name HA )) (( segid " " and resid 1969 and name HB3 )) 2.400 0.700 0.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.55950E-02 ppm1 4.191 ppm2 2.202 CV 1 ASSI { 445} (( segid " " and resid 1969 and name HA )) (( segid " " and resid 1969 and name HB2 )) 2.800 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.47584E-02 ppm1 4.189 ppm2 2.115 CV 1 ASSI { 446} (( segid " " and resid 1968 and name HA )) (( segid " " and resid 1968 and name HB2 )) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.27315E-02 ppm1 4.175 ppm2 2.029 CV 1 ASSI { 451} (( segid " " and resid 1969 and name HB2 )) (( segid " " and resid 1969 and name HB3 )) 1.700 0.400 0.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.19729E-01 ppm1 2.119 ppm2 2.201 CV 1 ASSI { 452} (( segid " " and resid 1969 and name HB3 )) (( segid " " and resid 1969 and name HG3 )) 2.500 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.66624E-02 ppm1 2.207 ppm2 2.302 CV 1 ASSI { 456} (( segid " " and resid 1969 and name HA )) (( segid " " and resid 1970 and name H )) 2.900 1.000 1.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.24677E-02 ppm1 4.191 ppm2 7.646 CV 1 ASSI { 458} (( segid " " and resid 1969 and name HA )) (( segid " " and resid 1854 and name HE22)) 3.000 1.100 1.100 peak 458 spectrum 1 weight 0.10000E+01 volume 0.15442E-02 ppm1 4.186 ppm2 6.954 CV 1 ASSI { 463} (( segid " " and resid 1968 and name HG )) (( segid " " and resid 1858 and name H )) 3.500 1.500 1.500 peak 463 spectrum 1 weight 0.10000E+01 volume 0.73762E-03 ppm1 0.789 ppm2 8.526 CV 1 ASSI { 464} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1950 and name H )) 3.900 1.900 1.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 0.794 ppm2 8.396 CV 1 ASSI { 465} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1937 and name H )) 3.400 1.400 1.400 peak 465 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 0.795 ppm2 8.211 CV 1 ASSI { 466} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1951 and name H )) 3.900 1.900 1.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.16821E-02 ppm1 0.794 ppm2 8.086 CV 1 ASSI { 467} (( segid " " and resid 1968 and name HB3 )) (( segid " " and resid 1968 and name H )) 3.800 1.800 1.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 1.421 ppm2 7.888 CV 1 ASSI { 472} ( segid " " and resid 1872 and name HG1%) (( segid " " and resid 1871 and name H )) 3.500 1.600 1.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.16461E-02 ppm1 0.918 ppm2 8.468 CV 1 ASSI { 473} ( segid " " and resid 1872 and name HG1%) (( segid " " and resid 1873 and name H )) 2.700 0.900 0.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.32233E-02 ppm1 0.920 ppm2 8.179 CV 1 ASSI { 475} ( segid " " and resid 1868 and name HG1%) (( segid " " and resid 1869 and name H )) 2.700 0.900 0.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.22458E-02 ppm1 0.936 ppm2 7.540 CV 1 ASSI { 476} ( segid " " and resid 1872 and name HG1%) (( segid " " and resid 1872 and name H )) 2.200 0.600 0.600 peak 476 spectrum 1 weight 0.10000E+01 volume 0.97210E-02 ppm1 0.925 ppm2 7.832 CV 1 ASSI { 477} ( segid " " and resid 1968 and name HD1%) (( segid " " and resid 1850 and name HZ )) 2.700 0.900 0.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.38739E-02 ppm1 0.925 ppm2 7.198 CV 1 ASSI { 479} (( segid " " and resid 1968 and name HB3 )) (( segid " " and resid 1965 and name HA )) 4.200 2.200 1.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.69263E-03 ppm1 1.422 ppm2 3.894 CV 1 ASSI { 480} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1875 and name HB3 )) 3.200 1.300 1.300 peak 480 spectrum 1 weight 0.10000E+01 volume 0.26955E-02 ppm1 0.794 ppm2 4.026 CV 1 OR { 480} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1875 and name HB2 )) ASSI { 481} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1934 and name HA )) 2.100 0.500 0.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.10110E-01 ppm1 0.794 ppm2 3.919 CV 1 ASSI { 482} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1950 and name HA )) 3.000 1.100 1.100 peak 482 spectrum 1 weight 0.10000E+01 volume 0.41617E-02 ppm1 0.794 ppm2 3.696 CV 1 ASSI { 483} ( segid " " and resid 1968 and name HD1%) (( segid " " and resid 1968 and name HA )) 2.100 0.500 0.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.10405E-01 ppm1 0.925 ppm2 4.168 CV 1 ASSI { 484} ( segid " " and resid 1872 and name HG1%) (( segid " " and resid 1869 and name HA )) 2.400 0.700 0.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.58768E-02 ppm1 0.926 ppm2 3.992 CV 1 ASSI { 485} (( segid " " and resid 1968 and name HG )) (( segid " " and resid 1854 and name HA )) 2.800 1.000 1.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.18680E-02 ppm1 0.790 ppm2 3.454 CV 1 ASSI { 486} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1872 and name HA )) 4.500 2.500 1.500 peak 486 spectrum 1 weight 0.10000E+01 volume 0.52172E-03 ppm1 0.791 ppm2 3.244 CV 1 ASSI { 487} ( segid " " and resid 1872 and name HG1%) (( segid " " and resid 1872 and name HA )) 2.600 0.900 0.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.90999E-02 ppm1 0.926 ppm2 3.232 CV 1 ASSI { 488} (( segid " " and resid 1968 and name HB3 )) (( segid " " and resid 1968 and name HB2 )) 2.000 0.500 0.500 peak 488 spectrum 1 weight 0.10000E+01 volume 0.36760E-02 ppm1 1.422 ppm2 2.016 CV 1 ASSI { 489} ( segid " " and resid 1872 and name HG1%) (( segid " " and resid 1872 and name HB )) 2.100 0.500 0.500 peak 489 spectrum 1 weight 0.10000E+01 volume 0.12734E-01 ppm1 0.926 ppm2 2.263 CV 1 ASSI { 490} ( segid " " and resid 1968 and name HD1%) (( segid " " and resid 1854 and name HB3 )) 2.900 2.900 3.100 peak 490 spectrum 1 weight 0.10000E+01 volume 0.12512E-01 ppm1 0.928 ppm2 2.051 CV 1 ASSI { 492} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1950 and name HB3 )) 2.800 1.000 1.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.47614E-02 ppm1 0.794 ppm2 2.129 CV 1 ASSI { 493} (( segid " " and resid 1968 and name HG )) (( segid " " and resid 1968 and name HB2 )) 2.200 0.600 0.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.67191E-02 ppm1 0.791 ppm2 2.013 CV 1 ASSI { 494} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1927 and name HB3 )) 3.300 1.400 1.400 peak 494 spectrum 1 weight 0.10000E+01 volume 0.20539E-02 ppm1 0.856 ppm2 2.235 CV 1 ASSI { 495} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1889 and name HB3 )) 2.400 0.700 0.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.45905E-02 ppm1 0.855 ppm2 1.952 CV 1 ASSI { 496} ( segid " " and resid 1889 and name HD2%) ( segid " " and resid 1871 and name HE% ) 2.700 0.900 0.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.37990E-02 ppm1 0.856 ppm2 1.805 CV 1 ASSI { 498} (( segid " " and resid 1968 and name HB2 )) ( segid " " and resid 1858 and name HG1%) 3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.95048E-03 ppm1 2.020 ppm2 1.017 CV 1 ASSI { 499} (( segid " " and resid 1968 and name HB2 )) ( segid " " and resid 1968 and name HD2%) 3.000 1.100 1.100 peak 499 spectrum 1 weight 0.10000E+01 volume 0.17241E-02 ppm1 2.015 ppm2 0.926 CV 1 OR { 499} (( segid " " and resid 1968 and name HB2 )) ( segid " " and resid 1968 and name HD1%) ASSI { 500} (( segid " " and resid 1968 and name HA )) ( segid " " and resid 1916 and name HD1%) 2.800 2.800 3.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.29804E-02 ppm1 4.170 ppm2 0.990 CV 1 ASSI { 501} (( segid " " and resid 1968 and name HA )) ( segid " " and resid 1968 and name HD1%) 2.300 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.65961E-02 ppm1 4.172 ppm2 0.924 CV 1 OR { 501} (( segid " " and resid 1968 and name HA )) ( segid " " and resid 1968 and name HD2%) ASSI { 503} (( segid " " and resid 1968 and name HB3 )) ( segid " " and resid 1968 and name HD1%) 2.900 1.100 1.100 peak 503 spectrum 1 weight 0.10000E+01 volume 0.20209E-02 ppm1 1.422 ppm2 0.925 CV 1 OR { 503} (( segid " " and resid 1968 and name HB3 )) ( segid " " and resid 1968 and name HD2%) ASSI { 504} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1950 and name HG )) 2.000 0.500 0.500 peak 504 spectrum 1 weight 0.10000E+01 volume 0.10482E-01 ppm1 0.795 ppm2 1.564 CV 1 OR { 504} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1950 and name HB2 )) ASSI { 505} ( segid " " and resid 1950 and name HD1%) ( segid " " and resid 1934 and name HB% ) 2.200 0.600 0.600 peak 505 spectrum 1 weight 0.10000E+01 volume 0.95679E-02 ppm1 0.793 ppm2 1.355 CV 1 ASSI { 507} (( segid " " and resid 1968 and name HG )) ( segid " " and resid 1858 and name HG1%) 2.400 0.700 0.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.52202E-02 ppm1 0.788 ppm2 1.009 CV 1 ASSI { 508} (( segid " " and resid 1968 and name HA )) (( segid " " and resid 1968 and name HG )) 3.500 1.500 1.500 peak 508 spectrum 1 weight 0.10000E+01 volume 0.18980E-02 ppm1 4.173 ppm2 0.782 CV 1 ASSI { 510} (( segid " " and resid 1968 and name HB3 )) (( segid " " and resid 1968 and name HG )) 2.600 0.900 0.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.20449E-02 ppm1 1.422 ppm2 0.789 CV 1 ASSI { 511} (( segid " " and resid 1967 and name HA )) ( segid " " and resid 1967 and name HB% ) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.11274E-01 ppm1 4.218 ppm2 1.393 CV 1 ASSI { 512} ( segid " " and resid 1967 and name HB% ) ( segid " " and resid 1916 and name HD1%) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.32173E-02 ppm1 1.392 ppm2 0.995 CV 1 ASSI { 513} ( segid " " and resid 1967 and name HB% ) ( segid " " and resid 1916 and name HG2%) 3.200 1.300 1.300 peak 513 spectrum 1 weight 0.10000E+01 volume 0.24976E-02 ppm1 1.390 ppm2 0.771 CV 1 ASSI { 514} ( segid " " and resid 1967 and name HB% ) (( segid " " and resid 1916 and name HG12)) 2.800 1.000 1.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.25606E-02 ppm1 1.389 ppm2 0.691 CV 1 OR { 514} ( segid " " and resid 1967 and name HB% ) (( segid " " and resid 1916 and name HG13)) ASSI { 515} ( segid " " and resid 1967 and name HB% ) (( segid " " and resid 1964 and name HA )) 2.500 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.40598E-02 ppm1 1.393 ppm2 3.478 CV 1 ASSI { 516} ( segid " " and resid 1967 and name HB% ) (( segid " " and resid 1916 and name HA )) 2.400 0.700 0.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.55800E-02 ppm1 1.390 ppm2 3.355 CV 1 ASSI { 517} ( segid " " and resid 1967 and name HB% ) (( segid " " and resid 1915 and name HB3 )) 2.800 1.000 1.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.17901E-02 ppm1 1.390 ppm2 3.269 CV 1 ASSI { 519} (( segid " " and resid 1967 and name HA )) (( segid " " and resid 1964 and name HA )) 4.900 3.000 1.100 peak 519 spectrum 1 weight 0.10000E+01 volume 0.33882E-03 ppm1 4.225 ppm2 3.476 CV 1 ASSI { 521} ( segid " " and resid 1914 and name HB% ) (( segid " " and resid 1915 and name HD2 )) 3.500 1.500 1.500 peak 521 spectrum 1 weight 0.10000E+01 volume 0.13703E-02 ppm1 1.395 ppm2 7.025 CV 1 ASSI { 522} (( segid " " and resid 1967 and name HA )) (( segid " " and resid 1966 and name H )) 4.400 2.400 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.66862E-03 ppm1 4.219 ppm2 8.067 CV 1 ASSI { 523} (( segid " " and resid 1967 and name HA )) (( segid " " and resid 1968 and name H )) 3.200 1.300 1.300 peak 523 spectrum 1 weight 0.10000E+01 volume 0.14032E-02 ppm1 4.217 ppm2 7.883 CV 1 ASSI { 524} (( segid " " and resid 1967 and name HA )) (( segid " " and resid 1967 and name H )) 2.600 0.800 0.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.47884E-02 ppm1 4.218 ppm2 7.809 CV 1 ASSI { 525} (( segid " " and resid 1967 and name HA )) (( segid " " and resid 1970 and name H )) 3.500 1.500 1.500 peak 525 spectrum 1 weight 0.10000E+01 volume 0.83353E-03 ppm1 4.217 ppm2 7.645 CV 1 ASSI { 526} (( segid " " and resid 1966 and name HA )) ( segid " " and resid 1966 and name HB% ) 2.000 0.500 0.500 peak 526 spectrum 1 weight 0.10000E+01 volume 0.20203E-01 ppm1 4.168 ppm2 1.524 CV 1 ASSI { 527} (( segid " " and resid 1966 and name HA )) (( segid " " and resid 1969 and name HG2 )) 4.300 2.300 1.700 peak 527 spectrum 1 weight 0.10000E+01 volume 0.52772E-03 ppm1 4.168 ppm2 2.424 CV 1 ASSI { 528} (( segid " " and resid 1966 and name HA )) (( segid " " and resid 1969 and name HG3 )) 4.400 2.400 1.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.68961E-03 ppm1 4.172 ppm2 2.313 CV 1 ASSI { 529} (( segid " " and resid 1966 and name HA )) (( segid " " and resid 1969 and name HB3 )) 4.200 2.200 1.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.15142E-02 ppm1 4.167 ppm2 2.203 CV 1 ASSI { 530} (( segid " " and resid 1966 and name HA )) (( segid " " and resid 1969 and name HB2 )) 2.900 1.000 1.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.16581E-02 ppm1 4.169 ppm2 2.115 CV 1 ASSI { 531} (( segid " " and resid 1966 and name HA )) (( segid " " and resid 1966 and name H )) 2.600 0.800 0.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.46415E-02 ppm1 4.171 ppm2 8.066 CV 1 ASSI { 532} (( segid " " and resid 1929 and name HA )) (( segid " " and resid 1930 and name H )) 3.300 1.400 1.400 peak 532 spectrum 1 weight 0.10000E+01 volume 0.11454E-02 ppm1 4.122 ppm2 7.950 CV 1 ASSI { 533} (( segid " " and resid 1966 and name HA )) (( segid " " and resid 1968 and name H )) 3.700 1.700 1.700 peak 533 spectrum 1 weight 0.10000E+01 volume 0.60867E-03 ppm1 4.170 ppm2 7.889 CV 1 ASSI { 535} (( segid " " and resid 1834 and name HA )) (( segid " " and resid 1834 and name H )) 2.600 0.800 0.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.42217E-02 ppm1 4.115 ppm2 7.768 CV 1 ASSI { 536} (( segid " " and resid 1834 and name HA )) (( segid " " and resid 1837 and name H )) 3.300 1.300 1.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.23387E-02 ppm1 4.119 ppm2 8.224 CV 1 ASSI { 538} ( segid " " and resid 1966 and name HB% ) (( segid " " and resid 1966 and name H )) 2.100 0.600 0.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.14200E-01 ppm1 1.531 ppm2 8.066 CV 1 ASSI { 540} (( segid " " and resid 1869 and name HA )) (( segid " " and resid 1871 and name H )) 3.600 1.600 1.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.83655E-03 ppm1 3.997 ppm2 8.462 CV 1 ASSI { 541} (( segid " " and resid 1965 and name HA )) (( segid " " and resid 1965 and name H )) 2.800 1.000 1.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.21258E-02 ppm1 3.896 ppm2 8.393 CV 1 ASSI { 542} (( segid " " and resid 1869 and name HA )) (( segid " " and resid 1870 and name H )) 3.200 1.300 1.300 peak 542 spectrum 1 weight 0.10000E+01 volume 0.12743E-02 ppm1 3.995 ppm2 8.344 CV 1 ASSI { 543} (( segid " " and resid 1869 and name HA )) (( segid " " and resid 1873 and name H )) 3.600 1.600 1.600 peak 543 spectrum 1 weight 0.10000E+01 volume 0.10524E-02 ppm1 3.995 ppm2 8.182 CV 1 ASSI { 545} (( segid " " and resid 1888 and name HA )) (( segid " " and resid 1888 and name H )) 2.700 0.900 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.35681E-02 ppm1 3.940 ppm2 7.997 CV 1 ASSI { 547} (( segid " " and resid 1965 and name HB3 )) (( segid " " and resid 1966 and name H )) 3.800 1.800 1.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.96547E-03 ppm1 1.452 ppm2 8.067 CV 1 ASSI { 549} (( segid " " and resid 1965 and name HB2 )) (( segid " " and resid 1966 and name H )) 3.000 1.100 1.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.12173E-02 ppm1 1.982 ppm2 8.066 CV 1 ASSI { 550} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1965 and name H )) 3.400 1.500 1.500 peak 550 spectrum 1 weight 0.10000E+01 volume 0.26116E-02 ppm1 0.838 ppm2 8.393 CV 1 ASSI { 551} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1862 and name H )) 4.200 2.200 1.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.51872E-03 ppm1 0.844 ppm2 8.270 CV 1 ASSI { 552} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1964 and name H )) 3.500 3.500 2.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.32383E-03 ppm1 0.831 ppm2 8.180 CV 1 ASSI { 553} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1966 and name H )) 2.900 2.900 3.100 peak 553 spectrum 1 weight 0.10000E+01 volume 0.11154E-02 ppm1 0.837 ppm2 8.066 CV 1 ASSI { 554} ( segid " " and resid 1965 and name HD2%) (( segid " " and resid 1965 and name H )) 3.500 1.600 1.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.21858E-02 ppm1 0.935 ppm2 8.393 CV 1 ASSI { 555} (( segid " " and resid 1965 and name HA )) (( segid " " and resid 1968 and name H )) 3.200 1.300 1.300 peak 555 spectrum 1 weight 0.10000E+01 volume 0.11304E-02 ppm1 3.893 ppm2 7.889 CV 1 ASSI { 558} (( segid " " and resid 1965 and name HB2 )) (( segid " " and resid 1962 and name HA )) 3.000 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 1.982 ppm2 4.154 CV 1 ASSI { 560} (( segid " " and resid 1965 and name HB3 )) (( segid " " and resid 1962 and name HA )) 3.900 1.900 1.900 peak 560 spectrum 1 weight 0.10000E+01 volume 0.12083E-02 ppm1 1.449 ppm2 4.154 CV 1 ASSI { 562} (( segid " " and resid 1965 and name HA )) (( segid " " and resid 1966 and name HA )) 3.500 1.600 1.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.90549E-03 ppm1 3.897 ppm2 4.168 CV 1 ASSI { 563} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1962 and name HA )) 2.500 0.800 0.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.47134E-02 ppm1 0.839 ppm2 4.154 CV 1 ASSI { 564} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1862 and name HA )) 2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.36850E-02 ppm1 0.842 ppm2 3.898 CV 1 ASSI { 565} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1961 and name HA )) 3.200 1.300 1.300 peak 565 spectrum 1 weight 0.10000E+01 volume 0.59968E-03 ppm1 0.831 ppm2 3.479 CV 1 ASSI { 566} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1858 and name HA )) 4.900 3.000 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.69263E-03 ppm1 0.848 ppm2 3.397 CV 1 ASSI { 569} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1862 and name HE3 )) 3.900 1.900 1.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.12173E-02 ppm1 0.842 ppm2 2.836 CV 1 ASSI { 570} (( segid " " and resid 1965 and name HB3 )) (( segid " " and resid 1965 and name HB2 )) 2.100 0.500 0.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.50103E-02 ppm1 1.448 ppm2 1.977 CV 1 ASSI { 571} (( segid " " and resid 1965 and name HB2 )) (( segid " " and resid 1965 and name HG )) 2.900 1.000 1.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.15562E-02 ppm1 1.981 ppm2 1.703 CV 1 ASSI { 573} (( segid " " and resid 1965 and name HA )) (( segid " " and resid 1965 and name HG )) 2.900 1.100 1.100 peak 573 spectrum 1 weight 0.10000E+01 volume 0.19490E-02 ppm1 3.895 ppm2 1.703 CV 1 ASSI { 574} (( segid " " and resid 1965 and name HB3 )) (( segid " " and resid 1965 and name HG )) 3.200 1.300 1.300 peak 574 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 1.451 ppm2 1.699 CV 1 ASSI { 575} (( segid " " and resid 1965 and name HA )) (( segid " " and resid 1965 and name HB3 )) 2.500 0.800 0.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.39968E-02 ppm1 3.895 ppm2 1.438 CV 1 ASSI { 576} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1965 and name HB2 )) 2.400 0.700 0.700 peak 576 spectrum 1 weight 0.10000E+01 volume 0.64912E-02 ppm1 0.840 ppm2 1.977 CV 1 ASSI { 577} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1862 and name HB2 )) 3.000 3.000 3.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.83958E-03 ppm1 0.842 ppm2 1.821 CV 1 ASSI { 578} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1965 and name HG )) 2.200 0.600 0.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.89294E-02 ppm1 0.840 ppm2 1.707 CV 1 ASSI { 580} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1965 and name HB3 )) 2.500 0.800 0.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.72411E-02 ppm1 0.839 ppm2 1.443 CV 1 ASSI { 581} ( segid " " and resid 1965 and name HD2%) (( segid " " and resid 1965 and name HB2 )) 2.900 1.000 1.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.76221E-02 ppm1 0.938 ppm2 1.985 CV 1 ASSI { 582} ( segid " " and resid 1965 and name HD2%) (( segid " " and resid 1965 and name HG )) 2.000 0.500 0.500 peak 582 spectrum 1 weight 0.10000E+01 volume 0.11819E-01 ppm1 0.934 ppm2 1.710 CV 1 ASSI { 584} (( segid " " and resid 1965 and name HB2 )) ( segid " " and resid 1858 and name HG1%) 5.000 3.100 1.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.33282E-03 ppm1 1.976 ppm2 1.011 CV 1 ASSI { 587} (( segid " " and resid 1965 and name HB3 )) ( segid " " and resid 1965 and name HD2%) 2.600 0.900 0.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.27915E-02 ppm1 1.449 ppm2 0.932 CV 1 ASSI { 590} (( segid " " and resid 1965 and name HA )) ( segid " " and resid 1965 and name HD2%) 2.300 0.600 0.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.67911E-02 ppm1 3.895 ppm2 0.932 CV 1 ASSI { 595} (( segid " " and resid 1964 and name HA )) ( segid " " and resid 1964 and name HG1%) 2.400 0.700 0.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.58678E-02 ppm1 3.481 ppm2 0.832 CV 1 ASSI { 596} (( segid " " and resid 1937 and name HG )) ( segid " " and resid 1882 and name HD1%) 2.600 2.600 3.400 peak 596 spectrum 1 weight 0.10000E+01 volume 0.59338E-02 ppm1 1.632 ppm2 0.952 CV 1 ASSI { 598} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1919 and name HB2 )) 2.500 0.800 0.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.42667E-02 ppm1 1.016 ppm2 1.770 CV 1 ASSI { 600} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1923 and name HB3 )) 2.300 2.300 3.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.39429E-02 ppm1 1.016 ppm2 1.459 CV 1 ASSI { 602} (( segid " " and resid 1868 and name HA )) (( segid " " and resid 1868 and name HB )) 2.400 0.700 0.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.41438E-02 ppm1 3.440 ppm2 2.079 CV 1 ASSI { 603} (( segid " " and resid 1964 and name HA )) (( segid " " and resid 1919 and name HB3 )) 2.900 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.20329E-02 ppm1 3.478 ppm2 1.964 CV 1 ASSI { 604} (( segid " " and resid 1868 and name HA )) (( segid " " and resid 1871 and name HB3 )) 3.800 1.800 1.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.21049E-02 ppm1 3.439 ppm2 1.825 CV 1 ASSI { 605} (( segid " " and resid 1931 and name HA )) ( segid " " and resid 1871 and name HE% ) 3.000 1.100 1.100 peak 605 spectrum 1 weight 0.10000E+01 volume 0.17541E-02 ppm1 3.502 ppm2 1.800 CV 1 ASSI { 609} (( segid " " and resid 1931 and name HA )) ( segid " " and resid 1934 and name HB% ) 2.400 0.700 0.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.51962E-02 ppm1 3.500 ppm2 1.362 CV 1 ASSI { 610} (( segid " " and resid 1868 and name HA )) ( segid " " and resid 1954 and name HB% ) 3.800 1.800 1.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.79755E-03 ppm1 3.437 ppm2 1.306 CV 1 ASSI { 611} ( segid " " and resid 1964 and name HG1%) (( segid " " and resid 1964 and name HB )) 2.300 0.700 0.700 peak 611 spectrum 1 weight 0.10000E+01 volume 0.71632E-02 ppm1 0.833 ppm2 2.503 CV 1 ASSI { 612} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1964 and name HB )) 2.200 0.600 0.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.75468E-02 ppm1 1.017 ppm2 2.501 CV 1 ASSI { 613} ( segid " " and resid 1961 and name HG2%) (( segid " " and resid 1961 and name HB )) 2.100 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.99309E-02 ppm1 1.007 ppm2 2.362 CV 1 ASSI { 614} ( segid " " and resid 1961 and name HG2%) (( segid " " and resid 1960 and name HB2 )) 3.000 1.100 1.100 peak 614 spectrum 1 weight 0.10000E+01 volume 0.18620E-02 ppm1 1.006 ppm2 2.116 CV 1 ASSI { 615} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1919 and name HB3 )) 2.400 0.700 0.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.43387E-02 ppm1 1.017 ppm2 1.963 CV 1 ASSI { 616} (( segid " " and resid 1955 and name HG2 )) (( segid " " and resid 1955 and name HB2 )) 2.400 0.700 0.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.60597E-02 ppm1 1.744 ppm2 1.989 CV 1 OR { 616} (( segid " " and resid 1955 and name HG2 )) (( segid " " and resid 1955 and name HB3 )) ASSI { 617} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1919 and name HD3 )) 2.900 1.100 1.100 peak 617 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 1.013 ppm2 2.988 CV 1 ASSI { 620} (( segid " " and resid 1933 and name HD2 )) (( segid " " and resid 1933 and name HE3 )) 2.800 0.900 0.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.18320E-02 ppm1 1.659 ppm2 2.860 CV 1 ASSI { 621} (( segid " " and resid 1933 and name HD3 )) (( segid " " and resid 1933 and name HE3 )) 3.200 1.300 1.300 peak 621 spectrum 1 weight 0.10000E+01 volume 0.17091E-02 ppm1 1.578 ppm2 2.840 CV 1 ASSI { 624} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1920 and name HA )) 2.500 0.800 0.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.40328E-02 ppm1 1.017 ppm2 3.606 CV 1 ASSI { 626} (( segid " " and resid 1955 and name HG2 )) (( segid " " and resid 1952 and name HA )) 3.500 1.600 1.600 peak 626 spectrum 1 weight 0.10000E+01 volume 0.11154E-02 ppm1 1.742 ppm2 4.143 CV 1 ASSI { 627} (( segid " " and resid 1955 and name HG2 )) (( segid " " and resid 1955 and name HA )) 2.700 0.900 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.36490E-02 ppm1 1.746 ppm2 3.950 CV 1 ASSI { 629} (( segid " " and resid 1964 and name HA )) (( segid " " and resid 1965 and name HA )) 3.500 1.500 1.500 peak 629 spectrum 1 weight 0.10000E+01 volume 0.98646E-03 ppm1 3.491 ppm2 3.894 CV 1 ASSI { 630} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1964 and name H )) 2.300 0.600 0.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.70042E-02 ppm1 1.018 ppm2 8.176 CV 1 ASSI { 631} ( segid " " and resid 1961 and name HG2%) (( segid " " and resid 1960 and name H )) 3.700 1.700 1.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.11904E-02 ppm1 1.015 ppm2 7.990 CV 1 ASSI { 632} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1963 and name H )) 3.900 1.900 1.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.13043E-02 ppm1 1.012 ppm2 7.895 CV 1 ASSI { 633} ( segid " " and resid 1961 and name HG2%) (( segid " " and resid 1865 and name H )) 3.300 1.300 1.300 peak 633 spectrum 1 weight 0.10000E+01 volume 0.20629E-02 ppm1 1.008 ppm2 7.802 CV 1 ASSI { 636} (( segid " " and resid 1964 and name HB )) (( segid " " and resid 1963 and name H )) 4.900 3.000 1.100 peak 636 spectrum 1 weight 0.10000E+01 volume 0.32083E-03 ppm1 2.500 ppm2 7.904 CV 1 ASSI { 637} (( segid " " and resid 1964 and name HA )) (( segid " " and resid 1967 and name H )) 3.100 1.200 1.200 peak 637 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 3.479 ppm2 7.811 CV 1 ASSI { 638} (( segid " " and resid 1964 and name HA )) (( segid " " and resid 1964 and name H )) 2.700 0.900 0.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.28185E-02 ppm1 3.482 ppm2 8.178 CV 1 ASSI { 640} ( segid " " and resid 1961 and name HG2%) (( segid " " and resid 1962 and name H )) 3.700 1.700 1.700 peak 640 spectrum 1 weight 0.10000E+01 volume 0.19999E-02 ppm1 1.006 ppm2 7.581 CV 1 ASSI { 641} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1965 and name H )) 3.700 1.700 1.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.17901E-02 ppm1 1.016 ppm2 8.398 CV 1 ASSI { 642} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1920 and name H )) 3.200 1.300 1.300 peak 642 spectrum 1 weight 0.10000E+01 volume 0.16221E-02 ppm1 1.011 ppm2 8.530 CV 1 ASSI { 643} ( segid " " and resid 1961 and name HG2%) (( segid " " and resid 1961 and name H )) 2.100 0.600 0.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.75886E-02 ppm1 1.005 ppm2 8.880 CV 1 ASSI { 644} ( segid " " and resid 1964 and name HG1%) (( segid " " and resid 1965 and name H )) 3.100 1.200 1.200 peak 644 spectrum 1 weight 0.10000E+01 volume 0.28425E-02 ppm1 0.836 ppm2 8.392 CV 1 ASSI { 645} (( segid " " and resid 1964 and name HA )) (( segid " " and resid 1965 and name H )) 3.300 1.400 1.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.10314E-02 ppm1 3.483 ppm2 8.391 CV 1 ASSI { 646} (( segid " " and resid 1931 and name HA )) (( segid " " and resid 1931 and name H )) 2.800 1.000 1.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 3.506 ppm2 8.589 CV 1 ASSI { 648} (( segid " " and resid 1963 and name HB3 )) (( segid " " and resid 1964 and name H )) 3.900 1.900 1.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.84254E-03 ppm1 3.035 ppm2 8.177 CV 1 ASSI { 650} (( segid " " and resid 1963 and name HB2 )) (( segid " " and resid 1964 and name H )) 3.100 1.200 1.200 peak 650 spectrum 1 weight 0.10000E+01 volume 0.87253E-03 ppm1 3.469 ppm2 8.178 CV 1 ASSI { 652} (( segid " " and resid 1963 and name HA )) (( segid " " and resid 1966 and name H )) 3.200 1.300 1.300 peak 652 spectrum 1 weight 0.10000E+01 volume 0.13613E-02 ppm1 4.667 ppm2 8.065 CV 1 ASSI { 653} (( segid " " and resid 1963 and name HA )) (( segid " " and resid 1963 and name H )) 2.800 1.000 1.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.27735E-02 ppm1 4.668 ppm2 7.906 CV 1 ASSI { 654} (( segid " " and resid 1963 and name HB3 )) (( segid " " and resid 1963 and name HD2 )) 4.000 2.000 2.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.48274E-03 ppm1 3.034 ppm2 6.929 CV 1 ASSI { 655} (( segid " " and resid 1963 and name HB2 )) (( segid " " and resid 1963 and name HD2 )) 3.900 1.900 1.900 peak 655 spectrum 1 weight 0.10000E+01 volume 0.37780E-03 ppm1 3.464 ppm2 6.930 CV 1 ASSI { 656} (( segid " " and resid 1963 and name HA )) (( segid " " and resid 1963 and name HD2 )) 3.100 1.200 1.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.21349E-02 ppm1 4.669 ppm2 6.931 CV 1 ASSI { 657} (( segid " " and resid 1963 and name HB2 )) (( segid " " and resid 1962 and name H )) 5.100 3.200 0.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.24287E-03 ppm1 3.464 ppm2 7.585 CV 1 ASSI { 660} (( segid " " and resid 1963 and name HB3 )) (( segid " " and resid 1960 and name HA )) 4.000 2.000 2.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.11964E-02 ppm1 3.035 ppm2 4.030 CV 1 ASSI { 662} (( segid " " and resid 1963 and name HB3 )) (( segid " " and resid 1963 and name HB2 )) 2.100 0.500 0.500 peak 662 spectrum 1 weight 0.10000E+01 volume 0.52622E-02 ppm1 3.034 ppm2 3.464 CV 1 ASSI { 663} (( segid " " and resid 1963 and name HA )) (( segid " " and resid 1963 and name HB2 )) 3.200 1.300 1.300 peak 663 spectrum 1 weight 0.10000E+01 volume 0.21468E-02 ppm1 4.666 ppm2 3.464 CV 1 ASSI { 664} (( segid " " and resid 1963 and name HA )) (( segid " " and resid 1963 and name HB3 )) 2.600 0.900 0.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.28635E-02 ppm1 4.667 ppm2 3.031 CV 1 ASSI { 666} (( segid " " and resid 1963 and name HB3 )) (( segid " " and resid 1960 and name HD2 )) 4.300 2.300 1.700 peak 666 spectrum 1 weight 0.10000E+01 volume 0.50373E-03 ppm1 3.033 ppm2 1.751 CV 1 ASSI { 667} (( segid " " and resid 1963 and name HB3 )) ( segid " " and resid 1966 and name HB% ) 4.000 2.000 2.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.62966E-03 ppm1 3.035 ppm2 1.516 CV 1 ASSI { 668} (( segid " " and resid 1963 and name HB2 )) (( segid " " and resid 1960 and name HD3 )) 3.500 1.600 1.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.91752E-03 ppm1 3.464 ppm2 1.917 CV 1 ASSI { 670} (( segid " " and resid 1963 and name HB2 )) ( segid " " and resid 1966 and name HB% ) 4.700 2.800 1.300 peak 670 spectrum 1 weight 0.10000E+01 volume 0.41378E-03 ppm1 3.472 ppm2 1.515 CV 1 ASSI { 671} (( segid " " and resid 1963 and name HA )) ( segid " " and resid 1966 and name HB% ) 2.600 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.47884E-02 ppm1 4.668 ppm2 1.527 CV 1 ASSI { 672} (( segid " " and resid 1963 and name HB3 )) ( segid " " and resid 1964 and name HG2%) 4.600 2.700 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.42577E-03 ppm1 3.029 ppm2 1.011 CV 1 ASSI { 673} (( segid " " and resid 1963 and name HB2 )) ( segid " " and resid 1964 and name HG2%) 3.700 1.700 1.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.58768E-03 ppm1 3.465 ppm2 1.012 CV 1 ASSI { 678} ( segid " " and resid 1961 and name HG1%) ( segid " " and resid 1865 and name HB% ) 2.000 0.500 0.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.12431E-01 ppm1 0.916 ppm2 1.559 CV 1 ASSI { 679} ( segid " " and resid 1961 and name HG1%) ( segid " " and resid 1861 and name HB% ) 2.100 0.600 0.600 peak 679 spectrum 1 weight 0.10000E+01 volume 0.10161E-01 ppm1 0.915 ppm2 1.378 CV 1 ASSI { 680} (( segid " " and resid 1961 and name HA )) (( segid " " and resid 1965 and name HG )) 3.500 1.500 1.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.89049E-03 ppm1 3.473 ppm2 1.705 CV 1 ASSI { 681} (( segid " " and resid 1961 and name HA )) ( segid " " and resid 1865 and name HB% ) 5.700 4.100 0.300 peak 681 spectrum 1 weight 0.10000E+01 volume 0.45875E-03 ppm1 3.477 ppm2 1.568 CV 1 ASSI { 682} (( segid " " and resid 1961 and name HA )) (( segid " " and resid 1961 and name HB )) 3.000 1.100 1.100 peak 682 spectrum 1 weight 0.10000E+01 volume 0.19219E-02 ppm1 3.476 ppm2 2.364 CV 1 ASSI { 683} ( segid " " and resid 1961 and name HG1%) (( segid " " and resid 1961 and name HB )) 2.100 0.600 0.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.10671E-01 ppm1 0.915 ppm2 2.359 CV 1 ASSI { 684} ( segid " " and resid 1961 and name HG1%) (( segid " " and resid 1965 and name HG )) 2.400 0.700 0.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.42427E-02 ppm1 0.913 ppm2 1.707 CV 1 ASSI { 685} (( segid " " and resid 1961 and name HB )) (( segid " " and resid 1958 and name HA )) 2.900 1.100 1.100 peak 685 spectrum 1 weight 0.10000E+01 volume 0.26026E-02 ppm1 2.363 ppm2 3.907 CV 1 ASSI { 689} ( segid " " and resid 1961 and name HG1%) (( segid " " and resid 1961 and name HA )) 2.200 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.85425E-02 ppm1 0.914 ppm2 3.477 CV 1 ASSI { 691} (( segid " " and resid 1961 and name HB )) (( segid " " and resid 1960 and name H )) 4.500 2.600 1.500 peak 691 spectrum 1 weight 0.10000E+01 volume 0.43777E-03 ppm1 2.363 ppm2 7.981 CV 1 ASSI { 693} ( segid " " and resid 1961 and name HG1%) (( segid " " and resid 1962 and name H )) 3.100 1.200 1.200 peak 693 spectrum 1 weight 0.10000E+01 volume 0.28485E-02 ppm1 0.913 ppm2 7.580 CV 1 ASSI { 696} ( segid " " and resid 1961 and name HG1%) (( segid " " and resid 1961 and name H )) 3.500 1.600 1.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.28335E-02 ppm1 0.913 ppm2 8.876 CV 1 ASSI { 698} (( segid " " and resid 1960 and name HA )) (( segid " " and resid 1964 and name H )) 4.000 2.000 2.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.48574E-03 ppm1 4.033 ppm2 8.175 CV 1 ASSI { 705} (( segid " " and resid 1960 and name HB2 )) (( segid " " and resid 1960 and name H )) 2.900 1.100 1.100 peak 705 spectrum 1 weight 0.10000E+01 volume 0.13763E-02 ppm1 2.118 ppm2 7.982 CV 1 ASSI { 707} (( segid " " and resid 1933 and name HB2 )) (( segid " " and resid 1950 and name H )) 5.000 3.200 1.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.38679E-03 ppm1 2.012 ppm2 8.396 CV 1 ASSI { 708} (( segid " " and resid 1960 and name HA )) (( segid " " and resid 1963 and name HD2 )) 3.500 3.500 2.500 peak 708 spectrum 1 weight 0.10000E+01 volume 0.68066E-03 ppm1 4.036 ppm2 6.929 CV 1 ASSI { 710} (( segid " " and resid 1960 and name HB3 )) (( segid " " and resid 1960 and name HA )) 2.900 1.000 1.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 1.948 ppm2 4.042 CV 1 ASSI { 712} (( segid " " and resid 1960 and name HA )) (( segid " " and resid 1963 and name HB2 )) 2.700 0.900 0.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.20989E-02 ppm1 4.032 ppm2 3.462 CV 1 ASSI { 714} (( segid " " and resid 1957 and name HB )) (( segid " " and resid 1954 and name HA )) 2.800 0.900 0.900 peak 714 spectrum 1 weight 0.10000E+01 volume 0.24737E-02 ppm1 2.150 ppm2 3.836 CV 1 ASSI { 715} (( segid " " and resid 1960 and name HE2 )) (( segid " " and resid 1960 and name HA )) 3.600 1.600 1.600 peak 715 spectrum 1 weight 0.10000E+01 volume 0.27975E-02 ppm1 2.978 ppm2 4.033 CV 1 OR { 715} (( segid " " and resid 1960 and name HE3 )) (( segid " " and resid 1960 and name HA )) ASSI { 716} (( segid " " and resid 1960 and name HB2 )) (( segid " " and resid 1960 and name HE2 )) 4.600 2.600 1.400 peak 716 spectrum 1 weight 0.10000E+01 volume 0.78255E-03 ppm1 2.122 ppm2 2.974 CV 1 ASSI { 717} (( segid " " and resid 1960 and name HB3 )) (( segid " " and resid 1960 and name HE3 )) 4.500 2.500 1.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.62666E-03 ppm1 1.947 ppm2 2.978 CV 1 OR { 717} (( segid " " and resid 1960 and name HB3 )) (( segid " " and resid 1960 and name HE2 )) ASSI { 719} (( segid " " and resid 1960 and name HA )) (( segid " " and resid 1960 and name HB2 )) 3.200 1.200 1.200 peak 719 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 4.032 ppm2 2.123 CV 1 ASSI { 720} (( segid " " and resid 1960 and name HA )) (( segid " " and resid 1960 and name HD3 )) 2.300 0.600 0.600 peak 720 spectrum 1 weight 0.10000E+01 volume 0.40958E-02 ppm1 4.033 ppm2 1.921 CV 1 ASSI { 721} (( segid " " and resid 1960 and name HE2 )) (( segid " " and resid 1960 and name HD3 )) 2.300 0.600 0.600 peak 721 spectrum 1 weight 0.10000E+01 volume 0.72623E-02 ppm1 2.976 ppm2 1.918 CV 1 OR { 721} (( segid " " and resid 1960 and name HE3 )) (( segid " " and resid 1960 and name HD3 )) ASSI { 722} (( segid " " and resid 1957 and name HB )) ( segid " " and resid 1957 and name HG2%) 2.100 0.600 0.600 peak 722 spectrum 1 weight 0.10000E+01 volume 0.85753E-02 ppm1 2.148 ppm2 0.925 CV 1 ASSI { 723} (( segid " " and resid 1957 and name HB )) ( segid " " and resid 1957 and name HG1%) 2.500 0.800 0.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.35411E-02 ppm1 2.148 ppm2 0.797 CV 1 ASSI { 724} (( segid " " and resid 1960 and name HB3 )) ( segid " " and resid 1923 and name HD2%) 3.500 1.500 1.500 peak 724 spectrum 1 weight 0.10000E+01 volume 0.18020E-02 ppm1 1.946 ppm2 0.994 CV 1 ASSI { 725} (( segid " " and resid 1959 and name HA )) (( segid " " and resid 1959 and name HB2 )) 2.900 1.000 1.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.43686E-02 ppm1 3.962 ppm2 2.122 CV 1 ASSI { 731} (( segid " " and resid 1959 and name HB2 )) (( segid " " and resid 1959 and name HB3 )) 1.700 0.400 0.500 peak 731 spectrum 1 weight 0.10000E+01 volume 0.19850E-01 ppm1 2.123 ppm2 1.989 CV 1 OR { 731} (( segid " " and resid 1959 and name HB2 )) (( segid " " and resid 1959 and name HG3 )) ASSI { 732} (( segid " " and resid 1899 and name HB3 )) (( segid " " and resid 1899 and name HG2 )) 2.800 1.000 1.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.16071E-02 ppm1 2.078 ppm2 2.436 CV 1 ASSI { 733} (( segid " " and resid 1870 and name HB2 )) (( segid " " and resid 1870 and name HG2 )) 2.500 0.800 0.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.41678E-02 ppm1 2.055 ppm2 2.334 CV 1 ASSI { 735} (( segid " " and resid 1959 and name HB2 )) (( segid " " and resid 1959 and name HG2 )) 2.800 1.000 1.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.56220E-02 ppm1 2.123 ppm2 2.277 CV 1 ASSI { 736} (( segid " " and resid 1899 and name HB2 )) (( segid " " and resid 1899 and name HG3 )) 3.000 1.100 1.100 peak 736 spectrum 1 weight 0.10000E+01 volume 0.13223E-02 ppm1 2.182 ppm2 2.447 CV 1 ASSI { 738} (( segid " " and resid 1833 and name HA )) (( segid " " and resid 1836 and name HB2 )) 2.400 0.700 0.700 peak 738 spectrum 1 weight 0.10000E+01 volume 0.42067E-02 ppm1 4.028 ppm2 2.846 CV 1 ASSI { 741} (( segid " " and resid 1959 and name HB2 )) (( segid " " and resid 1956 and name HA )) 2.700 0.900 0.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.23327E-02 ppm1 2.122 ppm2 4.112 CV 1 ASSI { 745} (( segid " " and resid 1959 and name HA )) (( segid " " and resid 1962 and name H )) 3.100 1.200 1.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.15442E-02 ppm1 3.960 ppm2 7.584 CV 1 ASSI { 746} (( segid " " and resid 1955 and name HB2 )) (( segid " " and resid 1955 and name H )) 2.300 0.700 0.700 peak 746 spectrum 1 weight 0.10000E+01 volume 0.75558E-02 ppm1 1.985 ppm2 8.087 CV 1 ASSI { 747} (( segid " " and resid 1959 and name HB3 )) (( segid " " and resid 1959 and name H )) 3.400 1.400 1.400 peak 747 spectrum 1 weight 0.10000E+01 volume 0.39429E-02 ppm1 1.992 ppm2 7.867 CV 1 ASSI { 748} (( segid " " and resid 1955 and name HB3 )) (( segid " " and resid 1956 and name H )) 2.700 0.900 0.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.33672E-02 ppm1 1.990 ppm2 7.718 CV 1 OR { 748} (( segid " " and resid 1955 and name HB2 )) (( segid " " and resid 1956 and name H )) ASSI { 749} (( segid " " and resid 1959 and name HB2 )) (( segid " " and resid 1960 and name H )) 2.700 0.900 0.900 peak 749 spectrum 1 weight 0.10000E+01 volume 0.18890E-02 ppm1 2.124 ppm2 7.978 CV 1 ASSI { 750} (( segid " " and resid 1959 and name HB2 )) (( segid " " and resid 1959 and name H )) 2.400 0.700 0.700 peak 750 spectrum 1 weight 0.10000E+01 volume 0.42217E-02 ppm1 2.124 ppm2 7.868 CV 1 ASSI { 752} (( segid " " and resid 1870 and name HB2 )) (( segid " " and resid 1871 and name H )) 3.800 1.800 1.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.13853E-02 ppm1 2.057 ppm2 8.463 CV 1 ASSI { 756} (( segid " " and resid 1870 and name HA )) (( segid " " and resid 1870 and name H )) 2.600 0.800 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.35081E-02 ppm1 4.080 ppm2 8.344 CV 1 ASSI { 757} (( segid " " and resid 1910 and name HA )) (( segid " " and resid 1911 and name H )) 3.000 1.200 1.200 peak 757 spectrum 1 weight 0.10000E+01 volume 0.24137E-02 ppm1 4.104 ppm2 8.230 CV 1 ASSI { 758} (( segid " " and resid 1870 and name HA )) (( segid " " and resid 1873 and name H )) 3.200 1.200 1.200 peak 758 spectrum 1 weight 0.10000E+01 volume 0.23777E-02 ppm1 4.081 ppm2 8.186 CV 1 ASSI { 759} (( segid " " and resid 1833 and name HA )) (( segid " " and resid 1833 and name H )) 2.700 0.900 0.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.35771E-02 ppm1 4.031 ppm2 8.194 CV 1 ASSI { 760} (( segid " " and resid 1959 and name HA )) (( segid " " and resid 1961 and name H )) 3.800 1.900 1.900 peak 760 spectrum 1 weight 0.10000E+01 volume 0.41678E-03 ppm1 3.953 ppm2 8.878 CV 1 ASSI { 761} (( segid " " and resid 1956 and name HA )) (( segid " " and resid 1956 and name HG2 )) 2.700 0.900 0.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.28005E-02 ppm1 4.110 ppm2 1.625 CV 1 ASSI { 763} (( segid " " and resid 1870 and name HA )) (( segid " " and resid 1870 and name HG3 )) 2.300 0.600 0.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.80443E-02 ppm1 4.084 ppm2 2.248 CV 1 OR { 763} (( segid " " and resid 1870 and name HA )) (( segid " " and resid 1870 and name HB3 )) ASSI { 764} (( segid " " and resid 1910 and name HA )) (( segid " " and resid 1910 and name HB2 )) 2.100 0.600 0.600 peak 764 spectrum 1 weight 0.10000E+01 volume 0.12605E-01 ppm1 4.107 ppm2 2.007 CV 1 ASSI { 765} (( segid " " and resid 1922 and name HA )) (( segid " " and resid 1960 and name HD3 )) 4.100 2.100 1.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.35261E-02 ppm1 4.090 ppm2 1.926 CV 1 ASSI { 766} (( segid " " and resid 1956 and name HA )) (( segid " " and resid 1956 and name HB3 )) 2.400 0.700 0.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.50882E-02 ppm1 4.113 ppm2 1.874 CV 1 ASSI { 767} (( segid " " and resid 1922 and name HB2 )) (( segid " " and resid 1922 and name HB3 )) 2.000 0.500 0.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.46985E-02 ppm1 1.930 ppm2 2.295 CV 1 ASSI { 768} (( segid " " and resid 1956 and name HD2 )) (( segid " " and resid 1956 and name HB2 )) 3.100 1.200 1.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.21049E-02 ppm1 3.238 ppm2 2.054 CV 1 ASSI { 769} (( segid " " and resid 1956 and name HD2 )) (( segid " " and resid 1956 and name HG3 )) 2.400 0.700 0.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.58138E-02 ppm1 3.238 ppm2 1.871 CV 1 ASSI { 770} (( segid " " and resid 1956 and name HD2 )) (( segid " " and resid 1956 and name HG2 )) 2.500 0.800 0.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.42217E-02 ppm1 3.238 ppm2 1.625 CV 1 ASSI { 776} (( segid " " and resid 1956 and name HB3 )) (( segid " " and resid 1956 and name HG2 )) 2.600 0.900 0.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.25336E-02 ppm1 1.879 ppm2 1.622 CV 1 ASSI { 777} (( segid " " and resid 1864 and name HG13)) ( segid " " and resid 1861 and name HB% ) 3.400 1.500 1.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 2.053 ppm2 1.391 CV 1 ASSI { 781} (( segid " " and resid 1956 and name HD3 )) (( segid " " and resid 1956 and name HB2 )) 2.900 1.100 1.100 peak 781 spectrum 1 weight 0.10000E+01 volume 0.21499E-02 ppm1 3.165 ppm2 2.049 CV 1 ASSI { 782} (( segid " " and resid 1859 and name HD2 )) (( segid " " and resid 1859 and name HB2 )) 2.300 0.700 0.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.91154E-02 ppm1 3.149 ppm2 1.906 CV 1 OR { 782} (( segid " " and resid 1859 and name HD2 )) (( segid " " and resid 1859 and name HB3 )) OR { 782} (( segid " " and resid 1859 and name HD3 )) (( segid " " and resid 1859 and name HB2 )) OR { 782} (( segid " " and resid 1859 and name HD3 )) (( segid " " and resid 1859 and name HB3 )) ASSI { 784} (( segid " " and resid 1859 and name HD3 )) (( segid " " and resid 1859 and name HG3 )) 2.300 0.600 0.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.79278E-02 ppm1 3.147 ppm2 1.763 CV 1 OR { 784} (( segid " " and resid 1859 and name HD2 )) (( segid " " and resid 1859 and name HG3 )) ASSI { 785} (( segid " " and resid 1859 and name HD3 )) (( segid " " and resid 1859 and name HG2 )) 2.200 0.600 0.600 peak 785 spectrum 1 weight 0.10000E+01 volume 0.10179E-01 ppm1 3.147 ppm2 1.562 CV 1 OR { 785} (( segid " " and resid 1859 and name HD2 )) (( segid " " and resid 1859 and name HG2 )) ASSI { 786} (( segid " " and resid 1956 and name HA )) (( segid " " and resid 1956 and name HD2 )) 4.400 2.400 1.600 peak 786 spectrum 1 weight 0.10000E+01 volume 0.79755E-03 ppm1 4.113 ppm2 3.232 CV 1 ASSI { 787} (( segid " " and resid 1956 and name HA )) (( segid " " and resid 1956 and name HD3 )) 4.600 2.600 1.400 peak 787 spectrum 1 weight 0.10000E+01 volume 0.63266E-03 ppm1 4.113 ppm2 3.165 CV 1 ASSI { 792} (( segid " " and resid 1956 and name HD2 )) (( segid " " and resid 1953 and name HA )) 3.300 1.400 1.400 peak 792 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 3.238 ppm2 4.017 CV 1 ASSI { 793} (( segid " " and resid 1895 and name HD3 )) (( segid " " and resid 1895 and name HA )) 3.900 1.900 1.900 peak 793 spectrum 1 weight 0.10000E+01 volume 0.12923E-02 ppm1 3.158 ppm2 4.007 CV 1 OR { 793} (( segid " " and resid 1895 and name HD2 )) (( segid " " and resid 1895 and name HA )) ASSI { 794} (( segid " " and resid 1859 and name HD2 )) (( segid " " and resid 1859 and name HA )) 3.500 1.500 1.500 peak 794 spectrum 1 weight 0.10000E+01 volume 0.31093E-02 ppm1 3.143 ppm2 3.901 CV 1 OR { 794} (( segid " " and resid 1859 and name HD3 )) (( segid " " and resid 1859 and name HA )) ASSI { 797} (( segid " " and resid 1956 and name HG2 )) (( segid " " and resid 1956 and name HD3 )) 3.000 1.100 1.100 peak 797 spectrum 1 weight 0.10000E+01 volume 0.19010E-02 ppm1 1.624 ppm2 3.167 CV 1 ASSI { 798} (( segid " " and resid 1956 and name HG2 )) (( segid " " and resid 1956 and name HB2 )) 3.100 1.200 1.200 peak 798 spectrum 1 weight 0.10000E+01 volume 0.28934E-02 ppm1 1.626 ppm2 2.052 CV 1 ASSI { 799} (( segid " " and resid 1956 and name HG2 )) (( segid " " and resid 1956 and name HG3 )) 1.800 0.400 0.400 peak 799 spectrum 1 weight 0.10000E+01 volume 0.12482E-01 ppm1 1.626 ppm2 1.869 CV 1 ASSI { 801} (( segid " " and resid 1956 and name HB2 )) (( segid " " and resid 1956 and name H )) 2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.26296E-02 ppm1 2.055 ppm2 7.720 CV 1 ASSI { 803} (( segid " " and resid 1910 and name HA )) (( segid " " and resid 1913 and name H )) 3.000 1.200 1.200 peak 803 spectrum 1 weight 0.10000E+01 volume 0.16341E-02 ppm1 4.108 ppm2 8.101 CV 1 ASSI { 804} (( segid " " and resid 1956 and name HA )) (( segid " " and resid 1960 and name H )) 3.900 1.900 1.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.63866E-03 ppm1 4.108 ppm2 7.978 CV 1 ASSI { 805} (( segid " " and resid 1956 and name HA )) (( segid " " and resid 1959 and name H )) 3.200 1.300 1.300 peak 805 spectrum 1 weight 0.10000E+01 volume 0.13403E-02 ppm1 4.109 ppm2 7.867 CV 1 ASSI { 806} (( segid " " and resid 1956 and name HA )) (( segid " " and resid 1956 and name H )) 2.700 0.900 0.900 peak 806 spectrum 1 weight 0.10000E+01 volume 0.29804E-02 ppm1 4.113 ppm2 7.720 CV 1 ASSI { 807} (( segid " " and resid 1952 and name HA )) (( segid " " and resid 1953 and name H )) 3.300 1.300 1.300 peak 807 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 4.161 ppm2 8.412 CV 1 ASSI { 808} (( segid " " and resid 1952 and name HA )) (( segid " " and resid 1955 and name H )) 2.900 1.000 1.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.23567E-02 ppm1 4.161 ppm2 8.088 CV 1 ASSI { 810} (( segid " " and resid 1827 and name HA )) (( segid " " and resid 1830 and name H )) 3.300 1.400 1.400 peak 810 spectrum 1 weight 0.10000E+01 volume 0.10074E-02 ppm1 4.184 ppm2 7.856 CV 1 ASSI { 811} (( segid " " and resid 1952 and name HA )) (( segid " " and resid 1956 and name H )) 3.300 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.12233E-02 ppm1 4.157 ppm2 7.716 CV 1 ASSI { 814} (( segid " " and resid 1911 and name HA )) (( segid " " and resid 1915 and name H )) 3.000 1.100 1.100 peak 814 spectrum 1 weight 0.10000E+01 volume 0.22878E-02 ppm1 4.005 ppm2 7.966 CV 1 ASSI { 815} (( segid " " and resid 1895 and name HA )) (( segid " " and resid 1898 and name H )) 3.100 1.200 1.200 peak 815 spectrum 1 weight 0.10000E+01 volume 0.15681E-02 ppm1 4.021 ppm2 7.854 CV 1 ASSI { 816} (( segid " " and resid 1833 and name HA )) (( segid " " and resid 1834 and name H )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.14303E-02 ppm1 4.026 ppm2 7.772 CV 1 ASSI { 817} (( segid " " and resid 1895 and name HA )) (( segid " " and resid 1895 and name H )) 2.700 0.900 0.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.34901E-02 ppm1 4.023 ppm2 7.705 CV 1 ASSI { 818} (( segid " " and resid 1922 and name HA )) (( segid " " and resid 1922 and name H )) 2.700 0.900 0.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.31333E-02 ppm1 4.084 ppm2 8.452 CV 1 ASSI { 819} (( segid " " and resid 1911 and name HA )) (( segid " " and resid 1911 and name H )) 2.500 0.800 0.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.47434E-02 ppm1 4.007 ppm2 8.242 CV 1 ASSI { 821} (( segid " " and resid 1864 and name HG13)) (( segid " " and resid 1864 and name H )) 2.800 1.000 1.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.20779E-02 ppm1 2.024 ppm2 8.030 CV 1 ASSI { 822} (( segid " " and resid 1956 and name HB3 )) (( segid " " and resid 1957 and name H )) 3.800 1.800 1.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.89351E-03 ppm1 1.879 ppm2 8.293 CV 1 ASSI { 824} (( segid " " and resid 1922 and name HB3 )) (( segid " " and resid 1922 and name H )) 3.700 1.700 1.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.12773E-02 ppm1 2.297 ppm2 8.447 CV 1 ASSI { 825} (( segid " " and resid 1922 and name HB3 )) (( segid " " and resid 1923 and name H )) 4.200 2.200 1.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.70164E-03 ppm1 2.295 ppm2 8.163 CV 1 ASSI { 826} (( segid " " and resid 1956 and name HD2 )) (( segid " " and resid 1956 and name H )) 4.300 2.300 1.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.80353E-03 ppm1 3.240 ppm2 7.719 CV 1 ASSI { 828} (( segid " " and resid 1910 and name HA )) (( segid " " and resid 1910 and name H )) 3.300 1.400 1.400 peak 828 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 4.107 ppm2 8.957 CV 1 ASSI { 830} (( segid " " and resid 1955 and name HA )) (( segid " " and resid 1955 and name HG3 )) 3.000 1.200 1.200 peak 830 spectrum 1 weight 0.10000E+01 volume 0.25276E-02 ppm1 3.957 ppm2 1.569 CV 1 ASSI { 831} (( segid " " and resid 1955 and name HA )) ( segid " " and resid 1954 and name HB% ) 3.400 1.500 1.500 peak 831 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 3.960 ppm2 1.314 CV 1 ASSI { 832} (( segid " " and resid 1955 and name HA )) ( segid " " and resid 1868 and name HG2%) 3.200 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.14392E-02 ppm1 3.958 ppm2 0.914 CV 1 ASSI { 833} (( segid " " and resid 1955 and name HD3 )) ( segid " " and resid 1951 and name HG2%) 3.500 1.500 1.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 3.114 ppm2 0.889 CV 1 ASSI { 834} (( segid " " and resid 1955 and name HD2 )) ( segid " " and resid 1951 and name HG2%) 3.100 1.200 1.200 peak 834 spectrum 1 weight 0.10000E+01 volume 0.10794E-02 ppm1 3.211 ppm2 0.891 CV 1 ASSI { 835} (( segid " " and resid 1955 and name HD2 )) (( segid " " and resid 1955 and name HB3 )) 2.600 0.800 0.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.47434E-02 ppm1 3.202 ppm2 1.987 CV 1 OR { 835} (( segid " " and resid 1955 and name HD2 )) (( segid " " and resid 1955 and name HB2 )) ASSI { 836} (( segid " " and resid 1955 and name HD2 )) (( segid " " and resid 1955 and name HG2 )) 2.300 0.700 0.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.87556E-02 ppm1 3.200 ppm2 1.752 CV 1 ASSI { 838} (( segid " " and resid 1955 and name HD3 )) (( segid " " and resid 1955 and name HB2 )) 2.700 0.900 0.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.39279E-02 ppm1 3.116 ppm2 1.991 CV 1 OR { 838} (( segid " " and resid 1955 and name HD3 )) (( segid " " and resid 1955 and name HB3 )) ASSI { 839} (( segid " " and resid 1955 and name HD3 )) (( segid " " and resid 1955 and name HG2 )) 2.400 0.700 0.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.51752E-02 ppm1 3.118 ppm2 1.745 CV 1 ASSI { 844} (( segid " " and resid 1955 and name HG3 )) (( segid " " and resid 1955 and name HB3 )) 2.500 0.800 0.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.49803E-02 ppm1 1.569 ppm2 1.994 CV 1 OR { 844} (( segid " " and resid 1955 and name HG3 )) (( segid " " and resid 1955 and name HB2 )) ASSI { 845} (( segid " " and resid 1955 and name HG3 )) (( segid " " and resid 1955 and name HD2 )) 2.700 0.900 0.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.30793E-02 ppm1 1.565 ppm2 3.205 CV 1 ASSI { 846} (( segid " " and resid 1955 and name HD2 )) (( segid " " and resid 1955 and name HD3 )) 1.500 0.300 0.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.38781E-01 ppm1 3.207 ppm2 3.119 CV 1 ASSI { 847} (( segid " " and resid 1955 and name HA )) (( segid " " and resid 1955 and name HD2 )) 4.600 2.600 1.400 peak 847 spectrum 1 weight 0.10000E+01 volume 0.49473E-03 ppm1 3.949 ppm2 3.210 CV 1 ASSI { 848} (( segid " " and resid 1955 and name HA )) (( segid " " and resid 1955 and name HD3 )) 4.500 2.500 1.500 peak 848 spectrum 1 weight 0.10000E+01 volume 0.63266E-03 ppm1 3.955 ppm2 3.114 CV 1 ASSI { 849} (( segid " " and resid 1973 and name HG2 )) (( segid " " and resid 1973 and name HA )) 3.000 1.100 1.100 peak 849 spectrum 1 weight 0.10000E+01 volume 0.22338E-02 ppm1 1.559 ppm2 4.124 CV 1 OR { 849} (( segid " " and resid 1973 and name HG3 )) (( segid " " and resid 1973 and name HA )) ASSI { 852} (( segid " " and resid 1955 and name HD2 )) (( segid " " and resid 1952 and name HA )) 3.200 1.300 1.300 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 3.203 ppm2 4.155 CV 1 ASSI { 856} (( segid " " and resid 1919 and name HD2 )) (( segid " " and resid 1963 and name HB2 )) 3.900 1.900 1.900 peak 856 spectrum 1 weight 0.10000E+01 volume 0.95350E-03 ppm1 3.062 ppm2 3.468 CV 1 ASSI { 857} (( segid " " and resid 1919 and name HD3 )) (( segid " " and resid 1963 and name HB2 )) 4.100 2.100 1.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.94449E-03 ppm1 2.998 ppm2 3.470 CV 1 ASSI { 858} (( segid " " and resid 1955 and name HA )) (( segid " " and resid 1955 and name H )) 2.600 0.800 0.800 peak 858 spectrum 1 weight 0.10000E+01 volume 0.41887E-02 ppm1 3.958 ppm2 8.088 CV 1 ASSI { 861} (( segid " " and resid 1955 and name HG2 )) (( segid " " and resid 1955 and name H )) 3.100 1.200 1.200 peak 861 spectrum 1 weight 0.10000E+01 volume 0.18320E-02 ppm1 1.746 ppm2 8.087 CV 1 ASSI { 862} (( segid " " and resid 1955 and name HG3 )) (( segid " " and resid 1955 and name H )) 3.000 1.200 1.200 peak 862 spectrum 1 weight 0.10000E+01 volume 0.12083E-02 ppm1 1.565 ppm2 8.084 CV 1 ASSI { 863} (( segid " " and resid 1955 and name HA )) (( segid " " and resid 1958 and name H )) 3.100 1.200 1.200 peak 863 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 3.958 ppm2 8.765 CV 1 ASSI { 864} (( segid " " and resid 1955 and name HA )) (( segid " " and resid 1954 and name H )) 4.700 2.800 1.300 peak 864 spectrum 1 weight 0.10000E+01 volume 0.38979E-03 ppm1 3.952 ppm2 8.966 CV 1 ASSI { 866} (( segid " " and resid 1954 and name HA )) ( segid " " and resid 1957 and name HG1%) 3.800 1.800 1.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.14602E-02 ppm1 3.835 ppm2 0.798 CV 1 ASSI { 869} (( segid " " and resid 1954 and name HA )) ( segid " " and resid 1954 and name HB% ) 2.300 0.600 0.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.70641E-02 ppm1 3.835 ppm2 1.312 CV 1 ASSI { 871} ( segid " " and resid 1954 and name HB% ) (( segid " " and resid 1872 and name HB )) 3.200 1.300 1.300 peak 871 spectrum 1 weight 0.10000E+01 volume 0.83057E-03 ppm1 1.315 ppm2 2.267 CV 1 ASSI { 872} ( segid " " and resid 1954 and name HB% ) (( segid " " and resid 1957 and name HB )) 4.100 2.100 1.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.15412E-02 ppm1 1.311 ppm2 2.143 CV 1 ASSI { 873} ( segid " " and resid 1954 and name HB% ) (( segid " " and resid 1953 and name HB2 )) 4.300 2.300 1.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.51273E-03 ppm1 1.314 ppm2 3.078 CV 1 ASSI { 874} ( segid " " and resid 1954 and name HB% ) (( segid " " and resid 1872 and name HA )) 3.900 1.900 1.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.77058E-03 ppm1 1.313 ppm2 3.232 CV 1 ASSI { 875} (( segid " " and resid 1954 and name HA )) (( segid " " and resid 1868 and name HA )) 4.100 2.100 1.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.82458E-03 ppm1 3.832 ppm2 3.448 CV 1 ASSI { 876} ( segid " " and resid 1954 and name HB% ) (( segid " " and resid 1951 and name HA )) 2.400 0.700 0.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.61796E-02 ppm1 1.313 ppm2 3.453 CV 1 ASSI { 878} ( segid " " and resid 1954 and name HB% ) (( segid " " and resid 1869 and name HA )) 2.800 2.800 3.200 peak 878 spectrum 1 weight 0.10000E+01 volume 0.14272E-02 ppm1 1.317 ppm2 3.985 CV 1 ASSI { 879} (( segid " " and resid 1954 and name HA )) (( segid " " and resid 1957 and name H )) 3.100 1.200 1.200 peak 879 spectrum 1 weight 0.10000E+01 volume 0.15232E-02 ppm1 3.833 ppm2 8.292 CV 1 ASSI { 880} (( segid " " and resid 1954 and name HA )) (( segid " " and resid 1955 and name H )) 3.400 1.400 1.400 peak 880 spectrum 1 weight 0.10000E+01 volume 0.98350E-03 ppm1 3.837 ppm2 8.088 CV 1 ASSI { 881} ( segid " " and resid 1954 and name HB% ) (( segid " " and resid 1955 and name H )) 2.500 0.800 0.800 peak 881 spectrum 1 weight 0.10000E+01 volume 0.48154E-02 ppm1 1.313 ppm2 8.088 CV 1 ASSI { 883} (( segid " " and resid 1954 and name HA )) (( segid " " and resid 1954 and name H )) 2.700 0.900 0.900 peak 883 spectrum 1 weight 0.10000E+01 volume 0.26056E-02 ppm1 3.834 ppm2 8.965 CV 1 ASSI { 884} (( segid " " and resid 1954 and name HA )) (( segid " " and resid 1958 and name H )) 3.800 1.800 1.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.68362E-03 ppm1 3.836 ppm2 8.765 CV 1 ASSI { 885} ( segid " " and resid 1954 and name HB% ) (( segid " " and resid 1954 and name H )) 2.200 0.600 0.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.88991E-02 ppm1 1.313 ppm2 8.966 CV 1 ASSI { 887} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1954 and name H )) 3.300 1.400 1.400 peak 887 spectrum 1 weight 0.10000E+01 volume 0.19369E-02 ppm1 2.744 ppm2 8.968 CV 1 ASSI { 888} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1954 and name H )) 2.700 0.900 0.900 peak 888 spectrum 1 weight 0.10000E+01 volume 0.23657E-02 ppm1 3.089 ppm2 8.966 CV 1 ASSI { 890} (( segid " " and resid 1953 and name HA )) (( segid " " and resid 1957 and name H )) 3.800 1.800 1.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.66862E-03 ppm1 4.020 ppm2 8.299 CV 1 ASSI { 891} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1953 and name H )) 3.400 1.500 1.500 peak 891 spectrum 1 weight 0.10000E+01 volume 0.32322E-02 ppm1 2.743 ppm2 8.412 CV 1 ASSI { 892} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1953 and name H )) 2.400 0.700 0.700 peak 892 spectrum 1 weight 0.10000E+01 volume 0.49593E-02 ppm1 3.090 ppm2 8.412 CV 1 ASSI { 894} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1952 and name H )) 4.000 2.000 2.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.77656E-03 ppm1 3.090 ppm2 7.988 CV 1 ASSI { 895} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1955 and name H )) 4.700 2.700 1.300 peak 895 spectrum 1 weight 0.10000E+01 volume 0.38080E-03 ppm1 2.750 ppm2 8.088 CV 1 ASSI { 896} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1956 and name H )) 4.800 2.900 1.200 peak 896 spectrum 1 weight 0.10000E+01 volume 0.23088E-03 ppm1 3.088 ppm2 7.718 CV 1 ASSI { 897} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1956 and name H )) 4.600 2.600 1.400 peak 897 spectrum 1 weight 0.10000E+01 volume 0.26386E-03 ppm1 2.745 ppm2 7.728 CV 1 ASSI { 898} (( segid " " and resid 1953 and name HA )) (( segid " " and resid 1956 and name H )) 3.000 1.100 1.100 peak 898 spectrum 1 weight 0.10000E+01 volume 0.20149E-02 ppm1 4.022 ppm2 7.706 CV 1 ASSI { 899} (( segid " " and resid 1940 and name HB3 )) (( segid " " and resid 1940 and name H )) 3.400 1.400 1.400 peak 899 spectrum 1 weight 0.10000E+01 volume 0.22667E-02 ppm1 4.025 ppm2 7.458 CV 1 ASSI { 900} (( segid " " and resid 1940 and name HB3 )) (( segid " " and resid 1940 and name HA )) 2.500 0.800 0.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.41917E-02 ppm1 4.023 ppm2 4.830 CV 1 ASSI { 901} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1953 and name HA )) 2.700 0.900 0.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.52681E-02 ppm1 3.090 ppm2 4.021 CV 1 ASSI { 902} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1954 and name HA )) 4.400 2.400 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.35381E-03 ppm1 3.090 ppm2 3.825 CV 1 ASSI { 903} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1950 and name HA )) 2.600 0.800 0.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.22248E-02 ppm1 3.091 ppm2 3.685 CV 1 ASSI { 904} (( segid " " and resid 1940 and name HB3 )) (( segid " " and resid 1940 and name HB2 )) 1.700 0.400 0.500 peak 904 spectrum 1 weight 0.10000E+01 volume 0.18464E-01 ppm1 4.024 ppm2 3.744 CV 1 ASSI { 905} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1950 and name HA )) 4.100 2.100 1.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 2.742 ppm2 3.685 CV 1 ASSI { 906} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1954 and name HA )) 4.400 2.400 1.600 peak 906 spectrum 1 weight 0.10000E+01 volume 0.26686E-03 ppm1 2.744 ppm2 3.832 CV 1 ASSI { 907} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1953 and name HA )) 2.500 0.800 0.800 peak 907 spectrum 1 weight 0.10000E+01 volume 0.49293E-02 ppm1 2.744 ppm2 4.023 CV 1 ASSI { 908} (( segid " " and resid 1940 and name HB3 )) (( segid " " and resid 1941 and name HD2 )) 4.500 2.500 1.500 peak 908 spectrum 1 weight 0.10000E+01 volume 0.62966E-03 ppm1 4.030 ppm2 3.419 CV 1 ASSI { 909} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1953 and name HB2 )) 1.900 0.400 0.400 peak 909 spectrum 1 weight 0.10000E+01 volume 0.10881E-01 ppm1 2.744 ppm2 3.086 CV 1 ASSI { 913} (( segid " " and resid 1940 and name HB3 )) (( segid " " and resid 1943 and name HB2 )) 2.600 0.900 0.900 peak 913 spectrum 1 weight 0.10000E+01 volume 0.23897E-02 ppm1 4.021 ppm2 2.669 CV 1 ASSI { 914} (( segid " " and resid 1953 and name HA )) (( segid " " and resid 1956 and name HB2 )) 2.800 1.000 1.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.23238E-02 ppm1 4.021 ppm2 2.048 CV 1 ASSI { 915} (( segid " " and resid 1953 and name HA )) (( segid " " and resid 1956 and name HG3 )) 2.800 1.000 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.22218E-02 ppm1 4.018 ppm2 1.874 CV 1 ASSI { 916} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1952 and name HB2 )) 4.000 2.000 2.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.66566E-03 ppm1 3.091 ppm2 2.075 CV 1 ASSI { 917} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1956 and name HG3 )) 4.100 2.100 1.900 peak 917 spectrum 1 weight 0.10000E+01 volume 0.60268E-03 ppm1 2.740 ppm2 1.854 CV 1 ASSI { 918} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1956 and name HG3 )) 4.300 2.300 1.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.56070E-03 ppm1 3.089 ppm2 1.861 CV 1 ASSI { 919} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1933 and name HB3 )) 3.800 1.800 1.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.43477E-03 ppm1 3.096 ppm2 1.719 CV 1 ASSI { 920} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1933 and name HG2 )) 3.400 1.500 1.500 peak 920 spectrum 1 weight 0.10000E+01 volume 0.82754E-03 ppm1 3.088 ppm2 1.649 CV 1 ASSI { 921} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1950 and name HG )) 3.300 1.400 1.400 peak 921 spectrum 1 weight 0.10000E+01 volume 0.12743E-02 ppm1 3.091 ppm2 1.561 CV 1 OR { 921} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1950 and name HB2 )) ASSI { 922} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1930 and name HG )) 3.300 1.300 1.300 peak 922 spectrum 1 weight 0.10000E+01 volume 0.11783E-02 ppm1 3.092 ppm2 1.422 CV 1 ASSI { 924} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1933 and name HB3 )) 4.100 2.100 1.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.41378E-03 ppm1 2.744 ppm2 1.708 CV 1 ASSI { 925} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1933 and name HG2 )) 4.100 2.100 1.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.53371E-03 ppm1 2.742 ppm2 1.648 CV 1 ASSI { 926} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1930 and name HG )) 2.900 1.100 1.100 peak 926 spectrum 1 weight 0.10000E+01 volume 0.16251E-02 ppm1 2.743 ppm2 1.407 CV 1 ASSI { 927} (( segid " " and resid 1953 and name HB3 )) ( segid " " and resid 1954 and name HB% ) 4.300 2.300 1.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.79755E-03 ppm1 2.748 ppm2 1.327 CV 1 ASSI { 928} (( segid " " and resid 1953 and name HA )) ( segid " " and resid 1954 and name HB% ) 4.600 2.700 1.400 peak 928 spectrum 1 weight 0.10000E+01 volume 0.39879E-03 ppm1 4.030 ppm2 1.313 CV 1 ASSI { 929} (( segid " " and resid 1953 and name HA )) (( segid " " and resid 1956 and name HG2 )) 4.200 2.300 1.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.81557E-03 ppm1 4.021 ppm2 1.622 CV 1 ASSI { 930} (( segid " " and resid 1953 and name HA )) ( segid " " and resid 1929 and name HB% ) 3.900 1.900 1.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.59368E-03 ppm1 4.020 ppm2 1.506 CV 1 ASSI { 931} (( segid " " and resid 1953 and name HB2 )) ( segid " " and resid 1930 and name HD2%) 2.800 1.000 1.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.34871E-02 ppm1 3.091 ppm2 0.913 CV 1 ASSI { 932} (( segid " " and resid 1953 and name HB2 )) ( segid " " and resid 1950 and name HD1%) 3.300 1.300 1.300 peak 932 spectrum 1 weight 0.10000E+01 volume 0.53671E-03 ppm1 3.089 ppm2 0.789 CV 1 ASSI { 934} (( segid " " and resid 1952 and name HA )) (( segid " " and resid 1951 and name HA )) 4.100 2.100 1.900 peak 934 spectrum 1 weight 0.10000E+01 volume 0.39879E-03 ppm1 4.152 ppm2 3.453 CV 1 ASSI { 936} (( segid " " and resid 1952 and name HA )) (( segid " " and resid 1955 and name HD3 )) 3.600 1.600 1.600 peak 936 spectrum 1 weight 0.10000E+01 volume 0.65961E-03 ppm1 4.162 ppm2 3.111 CV 1 ASSI { 938} (( segid " " and resid 1952 and name HB3 )) (( segid " " and resid 1952 and name HA )) 2.500 0.800 0.800 peak 938 spectrum 1 weight 0.10000E+01 volume 0.39608E-02 ppm1 2.001 ppm2 4.157 CV 1 ASSI { 940} (( segid " " and resid 1952 and name HA )) (( segid " " and resid 1952 and name HB2 )) 2.700 0.900 0.900 peak 940 spectrum 1 weight 0.10000E+01 volume 0.47375E-02 ppm1 4.160 ppm2 2.084 CV 1 ASSI { 945} (( segid " " and resid 1952 and name HB2 )) (( segid " " and resid 1952 and name HB3 )) 1.700 0.400 0.500 peak 945 spectrum 1 weight 0.10000E+01 volume 0.20332E-01 ppm1 2.083 ppm2 2.000 CV 1 ASSI { 946} (( segid " " and resid 1952 and name HA )) ( segid " " and resid 1951 and name HG2%) 3.000 1.100 1.100 peak 946 spectrum 1 weight 0.10000E+01 volume 0.17751E-02 ppm1 4.161 ppm2 0.894 CV 1 ASSI { 947} (( segid " " and resid 1952 and name HB2 )) (( segid " " and resid 1953 and name H )) 2.800 2.800 3.200 peak 947 spectrum 1 weight 0.10000E+01 volume 0.23477E-02 ppm1 2.085 ppm2 8.412 CV 1 ASSI { 948} (( segid " " and resid 1952 and name HB3 )) (( segid " " and resid 1953 and name H )) 3.400 1.400 1.400 peak 948 spectrum 1 weight 0.10000E+01 volume 0.20509E-02 ppm1 2.003 ppm2 8.411 CV 1 ASSI { 949} (( segid " " and resid 1952 and name HB2 )) (( segid " " and resid 1952 and name H )) 2.700 0.900 0.900 peak 949 spectrum 1 weight 0.10000E+01 volume 0.40298E-02 ppm1 2.085 ppm2 7.996 CV 1 ASSI { 950} (( segid " " and resid 1952 and name HB3 )) (( segid " " and resid 1952 and name H )) 2.700 0.900 0.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.44886E-02 ppm1 2.001 ppm2 7.996 CV 1 ASSI { 951} (( segid " " and resid 1951 and name HA )) (( segid " " and resid 1953 and name H )) 3.800 1.800 1.800 peak 951 spectrum 1 weight 0.10000E+01 volume 0.51572E-03 ppm1 3.456 ppm2 8.406 CV 1 ASSI { 952} (( segid " " and resid 1951 and name HA )) (( segid " " and resid 1951 and name H )) 2.700 0.900 0.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.28514E-02 ppm1 3.456 ppm2 8.089 CV 1 ASSI { 956} ( segid " " and resid 1951 and name HD1%) (( segid " " and resid 1951 and name H )) 3.400 1.500 1.500 peak 956 spectrum 1 weight 0.10000E+01 volume 0.29534E-02 ppm1 0.816 ppm2 8.089 CV 1 ASSI { 957} ( segid " " and resid 1951 and name HD1%) (( segid " " and resid 1952 and name H )) 4.500 2.500 1.500 peak 957 spectrum 1 weight 0.10000E+01 volume 0.85155E-03 ppm1 0.816 ppm2 8.002 CV 1 ASSI { 958} ( segid " " and resid 1951 and name HD1%) (( segid " " and resid 1950 and name H )) 4.700 2.800 1.300 peak 958 spectrum 1 weight 0.10000E+01 volume 0.45276E-03 ppm1 0.817 ppm2 8.407 CV 1 ASSI { 959} (( segid " " and resid 1951 and name HG13)) (( segid " " and resid 1951 and name H )) 2.400 0.700 0.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.30253E-02 ppm1 1.757 ppm2 8.090 CV 1 ASSI { 960} (( segid " " and resid 1951 and name HG13)) (( segid " " and resid 1952 and name H )) 4.500 2.500 1.500 peak 960 spectrum 1 weight 0.10000E+01 volume 0.52772E-03 ppm1 1.758 ppm2 7.999 CV 1 ASSI { 961} (( segid " " and resid 1951 and name HG12)) (( segid " " and resid 1951 and name H )) 3.900 1.900 1.900 peak 961 spectrum 1 weight 0.10000E+01 volume 0.19279E-02 ppm1 1.166 ppm2 8.090 CV 1 ASSI { 962} (( segid " " and resid 1951 and name HG12)) (( segid " " and resid 1952 and name H )) 5.200 3.400 0.800 peak 962 spectrum 1 weight 0.10000E+01 volume 0.35981E-03 ppm1 1.166 ppm2 8.001 CV 1 ASSI { 963} ( segid " " and resid 1951 and name HG2%) (( segid " " and resid 1951 and name H )) 3.400 1.400 1.400 peak 963 spectrum 1 weight 0.10000E+01 volume 0.38889E-02 ppm1 0.890 ppm2 8.089 CV 1 ASSI { 964} ( segid " " and resid 1951 and name HG2%) (( segid " " and resid 1952 and name H )) 3.200 1.200 1.200 peak 964 spectrum 1 weight 0.10000E+01 volume 0.22758E-02 ppm1 0.889 ppm2 7.997 CV 1 ASSI { 965} ( segid " " and resid 1951 and name HG2%) (( segid " " and resid 1953 and name H )) 4.500 2.500 1.500 peak 965 spectrum 1 weight 0.10000E+01 volume 0.43477E-03 ppm1 0.896 ppm2 8.406 CV 1 ASSI { 966} (( segid " " and resid 1951 and name HG13)) (( segid " " and resid 1950 and name H )) 4.500 2.500 1.500 peak 966 spectrum 1 weight 0.10000E+01 volume 0.39879E-03 ppm1 1.767 ppm2 8.402 CV 1 ASSI { 967} (( segid " " and resid 1951 and name HG12)) (( segid " " and resid 1951 and name HA )) 2.700 0.900 0.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.23657E-02 ppm1 1.166 ppm2 3.453 CV 1 ASSI { 969} (( segid " " and resid 1951 and name HG12)) (( segid " " and resid 1948 and name HA )) 5.100 3.300 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.56670E-03 ppm1 1.166 ppm2 3.901 CV 1 ASSI { 971} (( segid " " and resid 1951 and name HB )) (( segid " " and resid 1948 and name HA )) 2.900 1.000 1.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.25097E-02 ppm1 1.972 ppm2 3.901 CV 1 ASSI { 972} (( segid " " and resid 1951 and name HB )) (( segid " " and resid 1952 and name HA )) 4.600 2.600 1.400 peak 972 spectrum 1 weight 0.10000E+01 volume 0.32383E-03 ppm1 1.974 ppm2 4.152 CV 1 ASSI { 974} ( segid " " and resid 1951 and name HG2%) (( segid " " and resid 1951 and name HA )) 2.400 0.700 0.700 peak 974 spectrum 1 weight 0.10000E+01 volume 0.68362E-02 ppm1 0.890 ppm2 3.454 CV 1 ASSI { 977} ( segid " " and resid 1951 and name HG2%) (( segid " " and resid 1948 and name HA )) 4.300 2.300 1.700 peak 977 spectrum 1 weight 0.10000E+01 volume 0.18830E-02 ppm1 0.890 ppm2 3.906 CV 1 ASSI { 979} ( segid " " and resid 1951 and name HD1%) (( segid " " and resid 1951 and name HA )) 3.400 1.500 1.500 peak 979 spectrum 1 weight 0.10000E+01 volume 0.35441E-02 ppm1 0.818 ppm2 3.451 CV 1 ASSI { 980} (( segid " " and resid 1951 and name HG13)) (( segid " " and resid 1951 and name HA )) 2.900 1.000 1.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.22008E-02 ppm1 1.756 ppm2 3.454 CV 1 ASSI { 981} (( segid " " and resid 1951 and name HG13)) (( segid " " and resid 1948 and name HA )) 3.500 1.500 1.500 peak 981 spectrum 1 weight 0.10000E+01 volume 0.86352E-03 ppm1 1.755 ppm2 3.898 CV 1 ASSI { 982} ( segid " " and resid 1951 and name HD1%) (( segid " " and resid 1948 and name HA )) 2.400 0.700 0.700 peak 982 spectrum 1 weight 0.10000E+01 volume 0.36250E-02 ppm1 0.817 ppm2 3.901 CV 1 ASSI { 983} (( segid " " and resid 1951 and name HG12)) (( segid " " and resid 1951 and name HB )) 3.200 1.300 1.300 peak 983 spectrum 1 weight 0.10000E+01 volume 0.16371E-02 ppm1 1.163 ppm2 1.970 CV 1 ASSI { 984} (( segid " " and resid 1951 and name HG12)) (( segid " " and resid 1951 and name HG13)) 1.900 0.400 0.400 peak 984 spectrum 1 weight 0.10000E+01 volume 0.83353E-02 ppm1 1.165 ppm2 1.754 CV 1 ASSI { 985} ( segid " " and resid 1951 and name HG2%) (( segid " " and resid 1951 and name HG13)) 3.100 1.200 1.200 peak 985 spectrum 1 weight 0.10000E+01 volume 0.53821E-02 ppm1 0.890 ppm2 1.752 CV 1 ASSI { 986} ( segid " " and resid 1951 and name HG2%) (( segid " " and resid 1951 and name HB )) 2.100 0.500 0.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.12710E-01 ppm1 0.890 ppm2 1.973 CV 1 ASSI { 987} (( segid " " and resid 1951 and name HB )) (( segid " " and resid 1951 and name HG13)) 2.700 0.900 0.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.21439E-02 ppm1 1.973 ppm2 1.753 CV 1 ASSI { 989} ( segid " " and resid 1951 and name HD1%) (( segid " " and resid 1951 and name HB )) 2.400 0.700 0.700 peak 989 spectrum 1 weight 0.10000E+01 volume 0.60627E-02 ppm1 0.816 ppm2 1.970 CV 1 ASSI { 990} (( segid " " and resid 1951 and name HA )) (( segid " " and resid 1951 and name HB )) 2.900 1.000 1.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.22608E-02 ppm1 3.454 ppm2 1.973 CV 1 ASSI { 992} ( segid " " and resid 1951 and name HG2%) ( segid " " and resid 1954 and name HB% ) 3.300 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.22817E-02 ppm1 0.891 ppm2 1.316 CV 1 ASSI { 993} ( segid " " and resid 1951 and name HG2%) (( segid " " and resid 1951 and name HG12)) 2.400 0.700 0.700 peak 993 spectrum 1 weight 0.10000E+01 volume 0.53191E-02 ppm1 0.889 ppm2 1.166 CV 1 ASSI { 997} (( segid " " and resid 1951 and name HG13)) ( segid " " and resid 1951 and name HD1%) 2.300 0.700 0.700 peak 997 spectrum 1 weight 0.10000E+01 volume 0.56609E-02 ppm1 1.757 ppm2 0.818 CV 1 ASSI { 998} (( segid " " and resid 1951 and name HB )) ( segid " " and resid 1954 and name HB% ) 4.500 2.500 1.500 peak 998 spectrum 1 weight 0.10000E+01 volume 0.42577E-03 ppm1 1.972 ppm2 1.326 CV 1 ASSI { 1007} ( segid " " and resid 1951 and name HD1%) (( segid " " and resid 1951 and name HG12)) 2.200 0.600 0.600 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.74567E-02 ppm1 0.817 ppm2 1.161 CV 1 ASSI { 1008} ( segid " " and resid 1810 and name HD1%) (( segid " " and resid 1810 and name HG12)) 2.600 0.900 0.900 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.36940E-02 ppm1 0.816 ppm2 1.361 CV 1 ASSI { 1009} (( segid " " and resid 1871 and name HA )) (( segid " " and resid 1871 and name HB2 )) 3.100 1.200 1.200 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.19190E-02 ppm1 3.679 ppm2 2.422 CV 1 ASSI { 1012} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1933 and name HB2 )) 3.500 1.600 1.600 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.15292E-02 ppm1 3.689 ppm2 2.010 CV 1 ASSI { 1013} (( segid " " and resid 1871 and name HA )) (( segid " " and resid 1871 and name HB3 )) 2.400 0.700 0.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.34001E-02 ppm1 3.679 ppm2 1.831 CV 1 ASSI { 1014} (( segid " " and resid 1871 and name HA )) (( segid " " and resid 1874 and name HB2 )) 2.400 0.700 0.700 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.31513E-02 ppm1 3.681 ppm2 1.692 CV 1 ASSI { 1015} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1950 and name HG )) 2.300 0.600 0.600 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.54990E-02 ppm1 3.686 ppm2 1.564 CV 1 OR { 1015} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1950 and name HB2 )) ASSI { 1016} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1933 and name HG3 )) 3.700 1.700 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.15412E-02 ppm1 3.685 ppm2 1.446 CV 1 ASSI { 1017} (( segid " " and resid 1950 and name HA )) ( segid " " and resid 1954 and name HB% ) 3.800 1.800 1.800 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.85155E-03 ppm1 3.686 ppm2 1.306 CV 1 ASSI { 1018} (( segid " " and resid 1871 and name HA )) ( segid " " and resid 1867 and name HG2%) 4.600 2.700 1.400 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.44076E-03 ppm1 3.678 ppm2 1.175 CV 1 ASSI { 1021} (( segid " " and resid 1854 and name HA )) (( segid " " and resid 1857 and name HG3 )) 3.800 1.800 1.800 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.44076E-03 ppm1 3.453 ppm2 2.869 CV 1 ASSI { 1022} (( segid " " and resid 1854 and name HA )) (( segid " " and resid 1853 and name HB3 )) 4.200 2.200 1.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.25187E-03 ppm1 3.455 ppm2 2.534 CV 1 ASSI { 1023} (( segid " " and resid 1854 and name HA )) (( segid " " and resid 1854 and name HB3 )) 2.600 0.900 0.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.55260E-02 ppm1 3.452 ppm2 2.053 CV 1 ASSI { 1024} (( segid " " and resid 1854 and name HA )) (( segid " " and resid 1854 and name HG3 )) 2.600 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.22278E-02 ppm1 3.452 ppm2 1.928 CV 1 ASSI { 1025} (( segid " " and resid 1854 and name HA )) ( segid " " and resid 1857 and name HE% ) 4.500 2.500 1.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.65067E-03 ppm1 3.452 ppm2 1.793 CV 1 ASSI { 1026} (( segid " " and resid 1854 and name HA )) (( segid " " and resid 1854 and name HB2 )) 2.500 0.800 0.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.31663E-02 ppm1 3.453 ppm2 1.309 CV 1 ASSI { 1027} (( segid " " and resid 1854 and name HA )) ( segid " " and resid 1858 and name HG1%) 3.400 1.400 1.400 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.11454E-02 ppm1 3.451 ppm2 1.020 CV 1 ASSI { 1028} (( segid " " and resid 1854 and name HA )) ( segid " " and resid 1968 and name HD1%) 2.700 0.900 0.900 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.26116E-02 ppm1 3.452 ppm2 0.922 CV 1 ASSI { 1030} (( segid " " and resid 1857 and name HA )) (( segid " " and resid 1857 and name HG3 )) 3.300 1.300 1.300 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 3.910 ppm2 2.878 CV 1 ASSI { 1032} (( segid " " and resid 1857 and name HA )) (( segid " " and resid 1857 and name HG2 )) 2.700 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.22098E-02 ppm1 3.909 ppm2 2.349 CV 1 ASSI { 1037} (( segid " " and resid 1857 and name HA )) ( segid " " and resid 1856 and name HG2%) 3.000 1.200 1.200 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.20509E-02 ppm1 3.905 ppm2 1.155 CV 1 ASSI { 1038} (( segid " " and resid 1857 and name HA )) ( segid " " and resid 1896 and name HD2%) 2.300 0.700 0.700 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.64225E-02 ppm1 3.908 ppm2 0.896 CV 1 ASSI { 1042} (( segid " " and resid 1950 and name HB2 )) (( segid " " and resid 1933 and name HB2 )) 4.400 2.400 1.600 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.78557E-03 ppm1 1.564 ppm2 2.003 CV 1 ASSI { 1043} (( segid " " and resid 1950 and name HB2 )) (( segid " " and resid 1933 and name HB3 )) 3.600 1.600 1.600 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.65067E-03 ppm1 1.565 ppm2 1.730 CV 1 ASSI { 1044} (( segid " " and resid 1950 and name HB2 )) ( segid " " and resid 1946 and name HG2%) 3.600 1.600 1.600 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.28485E-03 ppm1 1.563 ppm2 1.142 CV 1 ASSI { 1045} (( segid " " and resid 1950 and name HB2 )) ( segid " " and resid 1950 and name HD1%) 2.600 0.800 0.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.21768E-02 ppm1 1.563 ppm2 0.784 CV 1 ASSI { 1046} (( segid " " and resid 1937 and name HB3 )) (( segid " " and resid 1879 and name HB2 )) 4.300 2.300 1.700 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.47674E-03 ppm1 1.767 ppm2 2.160 CV 1 ASSI { 1047} (( segid " " and resid 1937 and name HB3 )) (( segid " " and resid 1937 and name HG )) 2.900 1.000 1.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.17211E-02 ppm1 1.771 ppm2 1.634 CV 1 ASSI { 1048} (( segid " " and resid 1937 and name HB3 )) (( segid " " and resid 1937 and name HB2 )) 2.000 0.500 0.500 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.46325E-02 ppm1 1.769 ppm2 1.253 CV 1 ASSI { 1051} (( segid " " and resid 1937 and name HB3 )) ( segid " " and resid 1950 and name HD1%) 3.300 1.400 1.400 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.92647E-03 ppm1 1.768 ppm2 0.792 CV 1 ASSI { 1053} (( segid " " and resid 1937 and name HB2 )) (( segid " " and resid 1937 and name HG )) 2.800 1.000 1.000 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.13613E-02 ppm1 1.256 ppm2 1.634 CV 1 ASSI { 1054} (( segid " " and resid 1937 and name HB2 )) ( segid " " and resid 1946 and name HG2%) 2.800 1.000 1.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 1.254 ppm2 1.137 CV 1 ASSI { 1055} (( segid " " and resid 1937 and name HB2 )) ( segid " " and resid 1937 and name HD1%) 3.100 1.200 1.200 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.43986E-02 ppm1 1.256 ppm2 0.948 CV 1 ASSI { 1056} (( segid " " and resid 1937 and name HB2 )) ( segid " " and resid 1950 and name HD1%) 3.400 1.500 1.500 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.82458E-03 ppm1 1.252 ppm2 0.791 CV 1 ASSI { 1058} (( segid " " and resid 1950 and name HB3 )) (( segid " " and resid 1950 and name HB2 )) 2.100 0.500 0.500 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.46715E-02 ppm1 2.134 ppm2 1.563 CV 1 ASSI { 1059} (( segid " " and resid 1950 and name HB3 )) ( segid " " and resid 1937 and name HD1%) 2.900 2.900 3.100 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.11124E-02 ppm1 2.137 ppm2 0.930 CV 1 ASSI { 1060} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1872 and name HB )) 3.600 1.600 1.600 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.85753E-03 ppm1 0.746 ppm2 2.274 CV 1 ASSI { 1061} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1950 and name HB3 )) 2.300 0.700 0.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.55650E-02 ppm1 0.747 ppm2 2.134 CV 1 ASSI { 1062} ( segid " " and resid 1950 and name HD2%) ( segid " " and resid 1871 and name HE% ) 2.900 1.100 1.100 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.38649E-02 ppm1 0.747 ppm2 1.802 CV 1 ASSI { 1063} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1950 and name HG )) 2.200 0.600 0.600 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.11828E-01 ppm1 0.747 ppm2 1.564 CV 1 OR { 1063} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1950 and name HB2 )) ASSI { 1064} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1930 and name HG )) 3.400 1.400 1.400 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.25366E-02 ppm1 0.745 ppm2 1.402 CV 1 ASSI { 1065} ( segid " " and resid 1950 and name HD2%) ( segid " " and resid 1954 and name HB% ) 2.500 0.800 0.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.61676E-02 ppm1 0.747 ppm2 1.322 CV 1 ASSI { 1066} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1951 and name HG12)) 3.200 1.300 1.300 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.18919E-02 ppm1 0.750 ppm2 1.161 CV 1 ASSI { 1067} (( segid " " and resid 1950 and name HG )) ( segid " " and resid 1954 and name HB% ) 3.900 1.900 1.900 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.44676E-03 ppm1 1.573 ppm2 1.323 CV 1 ASSI { 1069} (( segid " " and resid 1950 and name HG )) ( segid " " and resid 1950 and name HD2%) 2.400 0.700 0.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.44316E-02 ppm1 1.567 ppm2 0.757 CV 1 ASSI { 1070} (( segid " " and resid 1895 and name HG3 )) (( segid " " and resid 1895 and name HG2 )) 1.800 0.400 0.400 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.14551E-01 ppm1 1.555 ppm2 1.767 CV 1 ASSI { 1071} (( segid " " and resid 1895 and name HG3 )) (( segid " " and resid 1895 and name HB3 )) 3.100 1.200 1.200 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.24497E-02 ppm1 1.559 ppm2 1.977 CV 1 ASSI { 1072} (( segid " " and resid 1950 and name HG )) (( segid " " and resid 1950 and name HB3 )) 2.900 1.000 1.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.21499E-02 ppm1 1.569 ppm2 2.132 CV 1 ASSI { 1074} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1951 and name HA )) 3.800 1.800 1.800 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.57869E-03 ppm1 3.684 ppm2 3.446 CV 1 ASSI { 1076} (( segid " " and resid 1950 and name HB2 )) (( segid " " and resid 1950 and name HA )) 2.700 0.900 0.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.17630E-02 ppm1 1.563 ppm2 3.684 CV 1 ASSI { 1077} (( segid " " and resid 1950 and name HB3 )) (( segid " " and resid 1950 and name HA )) 3.300 1.400 1.400 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.12953E-02 ppm1 2.135 ppm2 3.686 CV 1 ASSI { 1078} (( segid " " and resid 1950 and name HG )) (( segid " " and resid 1950 and name HA )) 2.500 0.800 0.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.28785E-02 ppm1 1.566 ppm2 3.685 CV 1 ASSI { 1079} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1872 and name HA )) 2.600 0.900 0.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.34991E-02 ppm1 0.747 ppm2 3.231 CV 1 ASSI { 1080} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1951 and name HA )) 2.600 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.38109E-02 ppm1 0.747 ppm2 3.454 CV 1 ASSI { 1081} (( segid " " and resid 1895 and name HG3 )) (( segid " " and resid 1895 and name HA )) 3.000 1.100 1.100 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.29954E-02 ppm1 1.554 ppm2 4.020 CV 1 ASSI { 1082} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1875 and name HB3 )) 2.700 0.900 0.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.38109E-02 ppm1 0.745 ppm2 4.016 CV 1 OR { 1082} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1875 and name HB2 )) ASSI { 1083} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1934 and name HA )) 3.400 1.400 1.400 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.28214E-02 ppm1 0.747 ppm2 3.924 CV 1 ASSI { 1084} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1953 and name HA )) 4.500 2.500 1.500 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.75558E-03 ppm1 3.684 ppm2 4.014 CV 1 ASSI { 1085} (( segid " " and resid 1937 and name HB3 )) (( segid " " and resid 1937 and name HA )) 3.100 1.200 1.200 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.18410E-02 ppm1 1.770 ppm2 4.051 CV 1 ASSI { 1087} (( segid " " and resid 1937 and name HB3 )) (( segid " " and resid 1938 and name HA )) 4.000 2.000 2.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.41378E-03 ppm1 1.768 ppm2 3.749 CV 1 ASSI { 1088} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1889 and name HA )) 3.900 1.900 1.900 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.17151E-02 ppm1 0.856 ppm2 4.279 CV 1 ASSI { 1089} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1930 and name HA )) 5.100 3.300 0.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.31483E-03 ppm1 0.859 ppm2 4.032 CV 1 ASSI { 1091} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1951 and name H )) 3.200 1.300 1.300 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.11933E-02 ppm1 3.687 ppm2 8.089 CV 1 ASSI { 1092} (( segid " " and resid 1871 and name HA )) (( segid " " and resid 1872 and name H )) 3.400 1.500 1.500 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.75262E-03 ppm1 3.679 ppm2 7.834 CV 1 ASSI { 1094} (( segid " " and resid 1950 and name HB2 )) (( segid " " and resid 1951 and name H )) 3.900 1.900 1.900 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.10165E-02 ppm1 1.565 ppm2 8.088 CV 1 ASSI { 1099} (( segid " " and resid 1895 and name HG3 )) (( segid " " and resid 1895 and name H )) 3.100 1.200 1.200 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.10074E-02 ppm1 1.555 ppm2 7.709 CV 1 ASSI { 1101} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1872 and name H )) 3.500 1.500 1.500 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.10584E-02 ppm1 0.750 ppm2 7.829 CV 1 ASSI { 1102} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1951 and name H )) 2.900 1.100 1.100 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.32293E-02 ppm1 0.747 ppm2 8.099 CV 1 ASSI { 1103} (( segid " " and resid 1950 and name HG )) (( segid " " and resid 1950 and name H )) 4.100 2.100 1.900 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.84852E-03 ppm1 1.571 ppm2 8.397 CV 1 ASSI { 1104} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1950 and name H )) 3.900 1.900 1.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.17181E-02 ppm1 0.747 ppm2 8.406 CV 1 ASSI { 1105} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1954 and name H )) 4.000 2.000 2.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.50973E-03 ppm1 3.684 ppm2 8.966 CV 1 ASSI { 1106} (( segid " " and resid 1871 and name HA )) (( segid " " and resid 1874 and name H )) 3.400 1.500 1.500 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.74959E-03 ppm1 3.681 ppm2 8.845 CV 1 ASSI { 1107} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1954 and name H )) 3.500 1.500 1.500 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.10674E-02 ppm1 0.748 ppm2 8.964 CV 1 ASSI { 1108} (( segid " " and resid 1871 and name HA )) (( segid " " and resid 1871 and name H )) 2.700 0.900 0.900 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.24137E-02 ppm1 3.678 ppm2 8.465 CV 1 ASSI { 1110} (( segid " " and resid 1949 and name HB2 )) (( segid " " and resid 1949 and name HB3 )) 2.100 0.500 0.500 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.51962E-02 ppm1 2.197 ppm2 1.812 CV 1 ASSI { 1111} (( segid " " and resid 1949 and name HB2 )) (( segid " " and resid 1933 and name HG2 )) 3.700 1.700 1.700 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.65067E-03 ppm1 2.192 ppm2 1.637 CV 1 OR { 1111} (( segid " " and resid 1949 and name HB2 )) (( segid " " and resid 1933 and name HD2 )) ASSI { 1113} (( segid " " and resid 1949 and name HB2 )) (( segid " " and resid 1949 and name HG3 )) 2.600 0.900 0.900 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.24707E-02 ppm1 2.198 ppm2 2.311 CV 1 ASSI { 1116} (( segid " " and resid 1949 and name HB2 )) (( segid " " and resid 1933 and name HE3 )) 3.400 1.500 1.500 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.55770E-03 ppm1 2.190 ppm2 2.834 CV 1 ASSI { 1117} (( segid " " and resid 1949 and name HB3 )) (( segid " " and resid 1933 and name HE3 )) 4.000 2.000 2.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.75861E-03 ppm1 1.826 ppm2 2.835 CV 1 ASSI { 1118} (( segid " " and resid 1949 and name HB2 )) (( segid " " and resid 1949 and name HA )) 3.200 1.300 1.300 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.18650E-02 ppm1 2.195 ppm2 3.996 CV 1 ASSI { 1120} (( segid " " and resid 1949 and name HB3 )) (( segid " " and resid 1949 and name HA )) 2.500 0.800 0.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.37449E-02 ppm1 1.822 ppm2 4.001 CV 1 ASSI { 1121} (( segid " " and resid 1949 and name HB3 )) (( segid " " and resid 1946 and name HA )) 4.200 2.200 1.800 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.10255E-02 ppm1 1.817 ppm2 3.855 CV 1 ASSI { 1122} (( segid " " and resid 1949 and name HB2 )) (( segid " " and resid 1950 and name H )) 3.100 1.200 1.200 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.92048E-03 ppm1 2.199 ppm2 8.397 CV 1 ASSI { 1123} (( segid " " and resid 1949 and name HB2 )) (( segid " " and resid 1949 and name H )) 2.700 0.900 0.900 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.19669E-02 ppm1 2.197 ppm2 8.046 CV 1 ASSI { 1127} (( segid " " and resid 1862 and name HD3 )) ( segid " " and resid 1965 and name HD2%) 4.000 2.000 2.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.98350E-03 ppm1 1.575 ppm2 0.931 CV 1 OR { 1127} (( segid " " and resid 1862 and name HD2 )) ( segid " " and resid 1965 and name HD2%) ASSI { 1128} (( segid " " and resid 1862 and name HE3 )) ( segid " " and resid 1965 and name HD2%) 3.200 1.300 1.300 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.20539E-02 ppm1 2.842 ppm2 0.932 CV 1 ASSI { 1129} (( segid " " and resid 1862 and name HE2 )) ( segid " " and resid 1965 and name HD2%) 2.700 0.900 0.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.20209E-02 ppm1 2.780 ppm2 0.933 CV 1 ASSI { 1130} (( segid " " and resid 1862 and name HE3 )) ( segid " " and resid 1858 and name HG2%) 2.300 2.300 3.700 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.55830E-02 ppm1 2.841 ppm2 0.845 CV 1 ASSI { 1132} (( segid " " and resid 1862 and name HE3 )) ( segid " " and resid 1858 and name HG1%) 4.400 2.400 1.600 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.56070E-03 ppm1 2.850 ppm2 1.037 CV 1 ASSI { 1133} (( segid " " and resid 1862 and name HE2 )) ( segid " " and resid 1858 and name HG1%) 4.300 2.300 1.700 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.60567E-03 ppm1 2.767 ppm2 1.027 CV 1 ASSI { 1135} (( segid " " and resid 1933 and name HE2 )) (( segid " " and resid 1949 and name HB3 )) 2.900 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 2.888 ppm2 1.812 CV 1 ASSI { 1136} (( segid " " and resid 1948 and name HE3 )) (( segid " " and resid 1948 and name HD3 )) 2.100 0.500 0.500 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.15639E-01 ppm1 2.890 ppm2 1.605 CV 1 OR { 1136} (( segid " " and resid 1948 and name HE2 )) (( segid " " and resid 1948 and name HD2 )) OR { 1136} (( segid " " and resid 1948 and name HE3 )) (( segid " " and resid 1948 and name HD2 )) OR { 1136} (( segid " " and resid 1948 and name HE2 )) (( segid " " and resid 1948 and name HD3 )) ASSI { 1137} (( segid " " and resid 1948 and name HE3 )) (( segid " " and resid 1948 and name HG2 )) 2.700 0.900 0.900 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.43027E-02 ppm1 2.893 ppm2 1.358 CV 1 OR { 1137} (( segid " " and resid 1948 and name HE2 )) (( segid " " and resid 1948 and name HG2 )) ASSI { 1140} (( segid " " and resid 1948 and name HG2 )) (( segid " " and resid 1948 and name HG3 )) 1.800 0.400 0.400 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.11352E-01 ppm1 1.362 ppm2 1.556 CV 1 ASSI { 1141} (( segid " " and resid 1901 and name HG2 )) (( segid " " and resid 1901 and name HD2 )) 2.500 0.800 0.800 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.48634E-02 ppm1 1.529 ppm2 1.715 CV 1 OR { 1141} (( segid " " and resid 1901 and name HG2 )) (( segid " " and resid 1901 and name HD3 )) ASSI { 1142} (( segid " " and resid 1901 and name HG2 )) (( segid " " and resid 1901 and name HB3 )) 2.800 0.900 0.900 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.19279E-02 ppm1 1.534 ppm2 1.821 CV 1 ASSI { 1144} (( segid " " and resid 1948 and name HB3 )) (( segid " " and resid 1948 and name HE2 )) 3.000 1.200 1.200 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.18560E-02 ppm1 1.903 ppm2 2.902 CV 1 OR { 1144} (( segid " " and resid 1948 and name HB3 )) (( segid " " and resid 1948 and name HE3 )) OR { 1144} (( segid " " and resid 1948 and name HB2 )) (( segid " " and resid 1948 and name HE3 )) OR { 1144} (( segid " " and resid 1948 and name HB2 )) (( segid " " and resid 1948 and name HE2 )) ASSI { 1145} (( segid " " and resid 1948 and name HG3 )) (( segid " " and resid 1948 and name HE2 )) 3.400 1.400 1.400 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.16671E-02 ppm1 1.565 ppm2 2.888 CV 1 OR { 1145} (( segid " " and resid 1948 and name HG3 )) (( segid " " and resid 1948 and name HE3 )) ASSI { 1149} (( segid " " and resid 1948 and name HB2 )) (( segid " " and resid 1948 and name HA )) 2.100 0.600 0.600 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.99727E-02 ppm1 1.906 ppm2 3.900 CV 1 OR { 1149} (( segid " " and resid 1948 and name HB3 )) (( segid " " and resid 1948 and name HA )) ASSI { 1150} (( segid " " and resid 1948 and name HG3 )) (( segid " " and resid 1948 and name HA )) 2.800 1.000 1.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.14602E-02 ppm1 1.561 ppm2 3.903 CV 1 ASSI { 1151} (( segid " " and resid 1948 and name HG2 )) (( segid " " and resid 1948 and name HA )) 2.900 1.100 1.100 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.24887E-02 ppm1 1.358 ppm2 3.901 CV 1 ASSI { 1152} (( segid " " and resid 1948 and name HB3 )) (( segid " " and resid 1945 and name HA )) 2.400 0.700 0.700 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.46715E-02 ppm1 1.907 ppm2 4.150 CV 1 ASSI { 1154} (( segid " " and resid 1948 and name HA )) (( segid " " and resid 1948 and name H )) 2.400 0.700 0.700 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.54960E-02 ppm1 3.903 ppm2 7.809 CV 1 ASSI { 1155} (( segid " " and resid 1948 and name HE3 )) ( segid " " and resid 1945 and name HD% ) 3.500 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.73762E-03 ppm1 2.889 ppm2 7.162 CV 1 ASSI { 1156} (( segid " " and resid 1948 and name HG2 )) (( segid " " and resid 1949 and name H )) 3.900 1.900 1.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.48574E-03 ppm1 1.365 ppm2 8.051 CV 1 ASSI { 1159} (( segid " " and resid 1948 and name HG3 )) (( segid " " and resid 1948 and name H )) 3.800 1.800 1.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.17751E-02 ppm1 1.562 ppm2 7.809 CV 1 ASSI { 1160} (( segid " " and resid 1862 and name HD2 )) (( segid " " and resid 1862 and name H )) 4.300 2.300 1.700 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 1.579 ppm2 8.270 CV 1 OR { 1160} (( segid " " and resid 1862 and name HD3 )) (( segid " " and resid 1862 and name H )) ASSI { 1161} (( segid " " and resid 1948 and name HB3 )) (( segid " " and resid 1949 and name H )) 2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.47344E-02 ppm1 1.907 ppm2 8.048 CV 1 ASSI { 1163} (( segid " " and resid 1948 and name HA )) (( segid " " and resid 1950 and name H )) 3.900 1.900 1.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.41378E-03 ppm1 3.906 ppm2 8.394 CV 1 ASSI { 1164} (( segid " " and resid 1948 and name HE2 )) (( segid " " and resid 1948 and name H )) 3.300 3.300 2.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.47674E-03 ppm1 2.883 ppm2 7.806 CV 1 OR { 1164} (( segid " " and resid 1948 and name HE3 )) (( segid " " and resid 1948 and name H )) ASSI { 1165} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1950 and name HB3 )) 2.700 0.900 0.900 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.21139E-02 ppm1 3.785 ppm2 2.136 CV 1 ASSI { 1166} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1947 and name HB3 )) 2.800 1.000 1.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.34032E-02 ppm1 3.785 ppm2 1.895 CV 1 ASSI { 1167} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1947 and name HB2 )) 2.400 0.700 0.700 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.35261E-02 ppm1 3.784 ppm2 1.839 CV 1 ASSI { 1168} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1937 and name HG )) 2.800 1.000 1.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.12233E-02 ppm1 3.784 ppm2 1.647 CV 1 ASSI { 1169} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1950 and name HB2 )) 3.000 1.100 1.100 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.19400E-02 ppm1 3.784 ppm2 1.563 CV 1 ASSI { 1170} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1947 and name HG3 )) 2.600 0.900 0.900 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.24587E-02 ppm1 3.783 ppm2 1.407 CV 1 ASSI { 1171} (( segid " " and resid 1947 and name HA )) ( segid " " and resid 1946 and name HG2%) 3.700 1.700 1.700 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.76157E-03 ppm1 3.780 ppm2 1.136 CV 1 ASSI { 1172} (( segid " " and resid 1947 and name HA )) ( segid " " and resid 1937 and name HD1%) 3.200 1.300 1.300 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.45545E-02 ppm1 3.784 ppm2 0.948 CV 1 ASSI { 1173} (( segid " " and resid 1947 and name HA )) ( segid " " and resid 1950 and name HD1%) 3.500 1.600 1.600 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.11274E-02 ppm1 3.783 ppm2 0.790 CV 1 ASSI { 1174} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1937 and name HB2 )) 4.500 2.500 1.500 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.28785E-03 ppm1 3.780 ppm2 1.249 CV 1 ASSI { 1176} (( segid " " and resid 1947 and name HB2 )) ( segid " " and resid 1937 and name HD2%) 2.400 0.700 0.700 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.27465E-02 ppm1 1.840 ppm2 0.958 CV 1 ASSI { 1177} (( segid " " and resid 1947 and name HD2 )) (( segid " " and resid 1947 and name HG3 )) 2.300 0.700 0.700 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.54090E-02 ppm1 1.650 ppm2 1.411 CV 1 OR { 1177} (( segid " " and resid 1947 and name HD3 )) (( segid " " and resid 1947 and name HG3 )) ASSI { 1178} (( segid " " and resid 1947 and name HD3 )) ( segid " " and resid 1937 and name HD1%) 2.700 0.900 0.900 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.21738E-02 ppm1 1.681 ppm2 0.947 CV 1 ASSI { 1179} (( segid " " and resid 1947 and name HG3 )) ( segid " " and resid 1937 and name HD1%) 2.800 1.000 1.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.23897E-02 ppm1 1.413 ppm2 0.947 CV 1 ASSI { 1180} (( segid " " and resid 1947 and name HG3 )) ( segid " " and resid 1951 and name HD1%) 3.800 1.800 1.800 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.16431E-02 ppm1 1.412 ppm2 0.814 CV 1 ASSI { 1181} (( segid " " and resid 1901 and name HG3 )) ( segid " " and resid 1838 and name HD2%) 2.800 1.000 1.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.22008E-02 ppm1 1.363 ppm2 0.940 CV 1 ASSI { 1182} (( segid " " and resid 1947 and name HG2 )) ( segid " " and resid 1951 and name HD1%) 2.700 0.900 0.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.19669E-02 ppm1 1.358 ppm2 0.816 CV 1 ASSI { 1183} (( segid " " and resid 1947 and name HE3 )) ( segid " " and resid 1951 and name HD1%) 2.700 0.900 0.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.32922E-02 ppm1 2.930 ppm2 0.821 CV 1 ASSI { 1184} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1947 and name HE2 )) 5.000 3.200 1.000 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.37480E-03 ppm1 3.786 ppm2 2.925 CV 1 OR { 1184} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1947 and name HE3 )) ASSI { 1185} (( segid " " and resid 1947 and name HB2 )) (( segid " " and resid 1947 and name HE2 )) 3.700 1.700 1.700 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.11124E-02 ppm1 1.842 ppm2 2.932 CV 1 OR { 1185} (( segid " " and resid 1947 and name HB2 )) (( segid " " and resid 1947 and name HE3 )) ASSI { 1186} (( segid " " and resid 1947 and name HD3 )) (( segid " " and resid 1947 and name HE2 )) 2.600 0.900 0.900 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.35171E-02 ppm1 1.656 ppm2 2.927 CV 1 OR { 1186} (( segid " " and resid 1947 and name HD2 )) (( segid " " and resid 1947 and name HE3 )) OR { 1186} (( segid " " and resid 1947 and name HD2 )) (( segid " " and resid 1947 and name HE2 )) OR { 1186} (( segid " " and resid 1947 and name HD3 )) (( segid " " and resid 1947 and name HE3 )) ASSI { 1188} (( segid " " and resid 1947 and name HG3 )) (( segid " " and resid 1947 and name HE3 )) 3.600 1.600 1.600 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.19939E-02 ppm1 1.412 ppm2 2.927 CV 1 OR { 1188} (( segid " " and resid 1947 and name HG3 )) (( segid " " and resid 1947 and name HE2 )) ASSI { 1191} (( segid " " and resid 1947 and name HD3 )) (( segid " " and resid 1947 and name HA )) 4.200 2.200 1.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.81853E-03 ppm1 1.676 ppm2 3.776 CV 1 ASSI { 1192} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1937 and name HA )) 3.200 3.200 2.800 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.57569E-03 ppm1 3.779 ppm2 4.045 CV 1 ASSI { 1193} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1950 and name H )) 3.000 1.100 1.100 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.13703E-02 ppm1 3.786 ppm2 8.397 CV 1 ASSI { 1194} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1951 and name H )) 3.500 1.500 1.500 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.91450E-03 ppm1 3.783 ppm2 8.089 CV 1 ASSI { 1196} (( segid " " and resid 1947 and name HB2 )) (( segid " " and resid 1947 and name H )) 2.400 0.700 0.700 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.46894E-02 ppm1 1.839 ppm2 7.815 CV 1 ASSI { 1198} (( segid " " and resid 1947 and name HD3 )) (( segid " " and resid 1947 and name H )) 4.400 2.400 1.600 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.78255E-03 ppm1 1.643 ppm2 7.811 CV 1 ASSI { 1200} (( segid " " and resid 1901 and name HG2 )) (( segid " " and resid 1901 and name H )) 4.200 2.200 1.800 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.50073E-03 ppm1 1.552 ppm2 7.038 CV 1 ASSI { 1202} (( segid " " and resid 1946 and name HB )) ( segid " " and resid 1937 and name HD2%) 2.800 1.000 1.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.14242E-02 ppm1 4.065 ppm2 0.962 CV 1 ASSI { 1204} (( segid " " and resid 1860 and name HA )) ( segid " " and resid 1860 and name HG2%) 2.400 0.700 0.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.65305E-02 ppm1 3.885 ppm2 1.154 CV 1 ASSI { 1205} (( segid " " and resid 1860 and name HA )) ( segid " " and resid 1896 and name HD2%) 4.200 2.200 1.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.92949E-03 ppm1 3.886 ppm2 0.899 CV 1 ASSI { 1206} (( segid " " and resid 1873 and name HA )) ( segid " " and resid 1872 and name HG2%) 3.100 1.200 1.200 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.18470E-02 ppm1 3.919 ppm2 0.843 CV 1 ASSI { 1207} (( segid " " and resid 1855 and name HA )) ( segid " " and resid 1855 and name HG2%) 2.600 0.800 0.800 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.57209E-02 ppm1 3.748 ppm2 1.165 CV 1 ASSI { 1209} (( segid " " and resid 1855 and name HA )) ( segid " " and resid 1851 and name HG2%) 3.100 3.100 2.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.70164E-03 ppm1 3.736 ppm2 0.926 CV 1 ASSI { 1215} (( segid " " and resid 1855 and name HA )) (( segid " " and resid 1858 and name HB )) 3.600 1.600 1.600 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.26955E-02 ppm1 3.748 ppm2 2.100 CV 1 ASSI { 1216} (( segid " " and resid 1855 and name HA )) (( segid " " and resid 1854 and name HG3 )) 4.100 2.100 1.900 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.74058E-03 ppm1 3.745 ppm2 1.920 CV 1 ASSI { 1217} (( segid " " and resid 1946 and name HA )) (( segid " " and resid 1949 and name HB2 )) 2.800 1.000 1.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.18500E-02 ppm1 3.858 ppm2 2.197 CV 1 ASSI { 1218} (( segid " " and resid 1946 and name HB )) (( segid " " and resid 1943 and name HB2 )) 4.000 2.000 2.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.75558E-03 ppm1 4.065 ppm2 2.667 CV 1 ASSI { 1219} (( segid " " and resid 1946 and name HB )) (( segid " " and resid 1943 and name HB3 )) 2.900 1.100 1.100 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.12263E-02 ppm1 4.064 ppm2 3.031 CV 1 ASSI { 1220} (( segid " " and resid 1860 and name HA )) (( segid " " and resid 1860 and name HB )) 2.600 0.900 0.900 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.41047E-02 ppm1 3.884 ppm2 4.087 CV 1 ASSI { 1221} (( segid " " and resid 1867 and name HA )) (( segid " " and resid 1867 and name HB )) 3.400 1.400 1.400 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.81853E-03 ppm1 3.797 ppm2 4.278 CV 1 ASSI { 1222} (( segid " " and resid 1855 and name HA )) (( segid " " and resid 1855 and name HB )) 2.800 1.000 1.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.26386E-02 ppm1 3.747 ppm2 4.211 CV 1 ASSI { 1225} (( segid " " and resid 1946 and name HB )) (( segid " " and resid 1943 and name H )) 4.600 2.600 1.400 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.33882E-03 ppm1 4.065 ppm2 7.675 CV 1 ASSI { 1226} (( segid " " and resid 1855 and name HA )) (( segid " " and resid 1858 and name H )) 3.400 1.500 1.500 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 3.748 ppm2 8.529 CV 1 ASSI { 1227} (( segid " " and resid 1873 and name HA )) (( segid " " and resid 1873 and name H )) 2.600 0.800 0.800 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.45995E-02 ppm1 3.917 ppm2 8.183 CV 1 ASSI { 1229} (( segid " " and resid 1873 and name HA )) (( segid " " and resid 1872 and name H )) 4.800 2.900 1.200 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.44076E-03 ppm1 3.923 ppm2 7.826 CV 1 ASSI { 1230} (( segid " " and resid 1860 and name HA )) (( segid " " and resid 1863 and name H )) 3.100 1.200 1.200 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 3.886 ppm2 7.652 CV 1 ASSI { 1231} (( segid " " and resid 1860 and name HA )) (( segid " " and resid 1861 and name H )) 3.400 1.400 1.400 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.10854E-02 ppm1 3.889 ppm2 8.934 CV 1 ASSI { 1232} (( segid " " and resid 1873 and name HA )) (( segid " " and resid 1874 and name H )) 3.300 1.400 1.400 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.12263E-02 ppm1 3.921 ppm2 8.847 CV 1 ASSI { 1233} (( segid " " and resid 1855 and name HA )) (( segid " " and resid 1857 and name H )) 3.800 1.800 1.800 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.67165E-03 ppm1 3.745 ppm2 8.842 CV 1 ASSI { 1234} (( segid " " and resid 1945 and name HB2 )) ( segid " " and resid 1944 and name HG1%) 3.800 1.800 1.800 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 3.145 ppm2 0.880 CV 1 OR { 1234} (( segid " " and resid 1945 and name HB3 )) ( segid " " and resid 1944 and name HG1%) ASSI { 1235} (( segid " " and resid 1945 and name HB2 )) (( segid " " and resid 1948 and name HD3 )) 4.500 2.500 1.500 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.46475E-03 ppm1 3.153 ppm2 1.609 CV 1 OR { 1235} (( segid " " and resid 1945 and name HB2 )) (( segid " " and resid 1948 and name HD2 )) OR { 1235} (( segid " " and resid 1945 and name HB3 )) (( segid " " and resid 1948 and name HD3 )) OR { 1235} (( segid " " and resid 1945 and name HB3 )) (( segid " " and resid 1948 and name HD2 )) ASSI { 1236} (( segid " " and resid 1945 and name HB2 )) (( segid " " and resid 1944 and name HB )) 4.000 2.000 2.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.79459E-03 ppm1 3.149 ppm2 1.999 CV 1 OR { 1236} (( segid " " and resid 1945 and name HB3 )) (( segid " " and resid 1944 and name HB )) ASSI { 1237} (( segid " " and resid 1945 and name HB3 )) (( segid " " and resid 1948 and name HB3 )) 4.000 2.000 2.000 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.86056E-03 ppm1 3.146 ppm2 1.904 CV 1 ASSI { 1238} (( segid " " and resid 1945 and name HB3 )) (( segid " " and resid 1949 and name HG3 )) 3.600 3.600 2.400 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.61467E-03 ppm1 3.144 ppm2 2.316 CV 1 ASSI { 1239} (( segid " " and resid 1898 and name HA )) ( segid " " and resid 1897 and name HB% ) 3.300 1.300 1.300 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.13643E-02 ppm1 4.156 ppm2 0.982 CV 1 ASSI { 1242} (( segid " " and resid 1945 and name HA )) (( segid " " and resid 1948 and name HD3 )) 3.400 1.400 1.400 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.15412E-02 ppm1 4.153 ppm2 1.600 CV 1 OR { 1242} (( segid " " and resid 1945 and name HA )) (( segid " " and resid 1948 and name HD2 )) ASSI { 1243} (( segid " " and resid 1945 and name HA )) (( segid " " and resid 1944 and name HB )) 3.300 1.400 1.400 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.13043E-02 ppm1 4.148 ppm2 1.991 CV 1 ASSI { 1245} (( segid " " and resid 1901 and name HA )) ( segid " " and resid 1838 and name HD2%) 3.000 1.100 1.100 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.20539E-02 ppm1 4.061 ppm2 0.944 CV 1 ASSI { 1246} (( segid " " and resid 1901 and name HA )) (( segid " " and resid 1901 and name HB2 )) 3.000 1.100 1.100 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.21768E-02 ppm1 4.059 ppm2 1.955 CV 1 ASSI { 1248} (( segid " " and resid 1901 and name HA )) (( segid " " and resid 1901 and name HG2 )) 2.800 1.000 1.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.18800E-02 ppm1 4.059 ppm2 1.526 CV 1 ASSI { 1249} (( segid " " and resid 1901 and name HA )) ( segid " " and resid 1904 and name HB% ) 3.000 1.200 1.200 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.17691E-02 ppm1 4.059 ppm2 1.456 CV 1 ASSI { 1250} (( segid " " and resid 1901 and name HA )) (( segid " " and resid 1901 and name HG3 )) 3.200 1.200 1.200 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.19909E-02 ppm1 4.059 ppm2 1.384 CV 1 ASSI { 1251} (( segid " " and resid 1945 and name HA )) (( segid " " and resid 1945 and name HB2 )) 2.400 0.700 0.700 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.75050E-02 ppm1 4.154 ppm2 3.144 CV 1 OR { 1251} (( segid " " and resid 1945 and name HA )) (( segid " " and resid 1945 and name HB3 )) ASSI { 1252} (( segid " " and resid 1945 and name HB3 )) (( segid " " and resid 1946 and name HA )) 3.700 1.700 1.700 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.71361E-03 ppm1 3.140 ppm2 3.861 CV 1 ASSI { 1253} (( segid " " and resid 1945 and name HB2 )) (( segid " " and resid 1944 and name HA )) 4.800 2.900 1.200 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.34182E-03 ppm1 3.146 ppm2 3.644 CV 1 ASSI { 1254} (( segid " " and resid 1945 and name HA )) (( segid " " and resid 1944 and name HA )) 3.900 1.900 1.900 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.53371E-03 ppm1 4.149 ppm2 3.657 CV 1 ASSI { 1256} (( segid " " and resid 1945 and name HB2 )) (( segid " " and resid 1945 and name H )) 2.100 0.600 0.600 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.10941E-01 ppm1 3.148 ppm2 8.117 CV 1 ASSI { 1258} (( segid " " and resid 1945 and name HB3 )) ( segid " " and resid 1945 and name HD% ) 2.500 0.800 0.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.59758E-02 ppm1 3.149 ppm2 7.160 CV 1 OR { 1258} (( segid " " and resid 1945 and name HB2 )) ( segid " " and resid 1945 and name HD% ) ASSI { 1259} (( segid " " and resid 1945 and name HB3 )) ( segid " " and resid 1945 and name HE% ) 4.500 2.600 1.500 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.67165E-03 ppm1 3.147 ppm2 6.788 CV 1 OR { 1259} (( segid " " and resid 1945 and name HB2 )) ( segid " " and resid 1945 and name HE% ) ASSI { 1260} (( segid " " and resid 1945 and name HA )) (( segid " " and resid 1945 and name H )) 2.400 0.700 0.700 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.64378E-02 ppm1 4.166 ppm2 8.112 CV 1 ASSI { 1261} (( segid " " and resid 1898 and name HA )) (( segid " " and resid 1898 and name H )) 2.500 0.800 0.800 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.56370E-02 ppm1 4.158 ppm2 7.845 CV 1 ASSI { 1262} (( segid " " and resid 1898 and name HA )) (( segid " " and resid 1899 and name H )) 3.400 1.400 1.400 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.11274E-02 ppm1 4.158 ppm2 7.620 CV 1 ASSI { 1263} (( segid " " and resid 1945 and name HA )) ( segid " " and resid 1945 and name HD% ) 2.900 1.000 1.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.26026E-02 ppm1 4.154 ppm2 7.162 CV 1 ASSI { 1264} (( segid " " and resid 1898 and name HA )) (( segid " " and resid 1901 and name H )) 3.700 1.700 1.700 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.52472E-03 ppm1 4.161 ppm2 7.042 CV 1 ASSI { 1265} (( segid " " and resid 1901 and name HA )) (( segid " " and resid 1901 and name H )) 2.800 1.000 1.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.23298E-02 ppm1 4.062 ppm2 7.037 CV 1 ASSI { 1266} (( segid " " and resid 1891 and name HA )) (( segid " " and resid 1892 and name H )) 3.400 1.400 1.400 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.11783E-02 ppm1 4.173 ppm2 8.759 CV 1 ASSI { 1268} (( segid " " and resid 1944 and name HA )) (( segid " " and resid 1945 and name H )) 3.200 1.300 1.300 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.14872E-02 ppm1 3.645 ppm2 8.113 CV 1 ASSI { 1269} (( segid " " and resid 1944 and name HA )) (( segid " " and resid 1947 and name H )) 2.900 1.000 1.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.27855E-02 ppm1 3.647 ppm2 7.815 CV 1 ASSI { 1270} (( segid " " and resid 1944 and name HB )) (( segid " " and resid 1944 and name H )) 2.500 2.500 3.500 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.45785E-02 ppm1 2.000 ppm2 8.299 CV 1 ASSI { 1271} (( segid " " and resid 1944 and name HB )) (( segid " " and resid 1945 and name H )) 2.700 0.900 0.900 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.29894E-02 ppm1 2.002 ppm2 8.112 CV 1 ASSI { 1272} ( segid " " and resid 1944 and name HG1%) (( segid " " and resid 1945 and name H )) 3.000 1.100 1.100 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.41108E-02 ppm1 0.892 ppm2 8.116 CV 1 ASSI { 1273} ( segid " " and resid 1944 and name HG1%) ( segid " " and resid 1945 and name HD% ) 3.600 1.700 1.700 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 0.892 ppm2 7.156 CV 1 ASSI { 1274} (( segid " " and resid 1944 and name HA )) (( segid " " and resid 1943 and name HA )) 4.200 2.200 1.800 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.68362E-03 ppm1 3.647 ppm2 4.592 CV 1 ASSI { 1277} (( segid " " and resid 1944 and name HB )) (( segid " " and resid 1944 and name HA )) 2.500 0.800 0.800 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.55950E-02 ppm1 2.001 ppm2 3.644 CV 1 ASSI { 1278} ( segid " " and resid 1944 and name HG1%) (( segid " " and resid 1944 and name HA )) 2.400 0.700 0.700 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.79729E-02 ppm1 0.885 ppm2 3.644 CV 1 OR { 1278} ( segid " " and resid 1944 and name HG2%) (( segid " " and resid 1944 and name HA )) ASSI { 1282} (( segid " " and resid 1944 and name HA )) (( segid " " and resid 1947 and name HB3 )) 2.400 0.700 0.700 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.41737E-02 ppm1 3.647 ppm2 1.901 CV 1 ASSI { 1283} (( segid " " and resid 1944 and name HA )) (( segid " " and resid 1947 and name HD3 )) 3.600 1.600 1.600 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.13163E-02 ppm1 3.648 ppm2 1.655 CV 1 ASSI { 1286} (( segid " " and resid 1944 and name HA )) ( segid " " and resid 1937 and name HD2%) 4.700 2.700 1.300 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.44976E-03 ppm1 3.648 ppm2 0.969 CV 1 ASSI { 1287} (( segid " " and resid 1944 and name HA )) ( segid " " and resid 1944 and name HG2%) 2.400 0.700 0.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.80385E-02 ppm1 3.647 ppm2 0.878 CV 1 ASSI { 1288} (( segid " " and resid 1944 and name HB )) ( segid " " and resid 1944 and name HG1%) 2.100 0.500 0.500 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.16377E-01 ppm1 2.002 ppm2 0.880 CV 1 OR { 1288} (( segid " " and resid 1944 and name HB )) ( segid " " and resid 1944 and name HG2%) ASSI { 1289} (( segid " " and resid 1943 and name HA )) ( segid " " and resid 1944 and name HG2%) 3.800 1.800 1.800 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.20629E-02 ppm1 4.595 ppm2 0.883 CV 1 ASSI { 1290} (( segid " " and resid 1943 and name HB2 )) ( segid " " and resid 1937 and name HD2%) 4.000 2.000 2.000 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.66264E-03 ppm1 2.663 ppm2 0.964 CV 1 ASSI { 1291} (( segid " " and resid 1943 and name HB3 )) ( segid " " and resid 1937 and name HD2%) 3.600 1.600 1.600 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.80958E-03 ppm1 3.035 ppm2 0.960 CV 1 ASSI { 1292} (( segid " " and resid 1943 and name HB3 )) ( segid " " and resid 1946 and name HG2%) 4.300 2.300 1.700 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.61467E-03 ppm1 3.033 ppm2 1.135 CV 1 ASSI { 1293} (( segid " " and resid 1943 and name HB2 )) ( segid " " and resid 1946 and name HG2%) 4.600 2.700 1.400 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.52472E-03 ppm1 2.666 ppm2 1.134 CV 1 ASSI { 1294} (( segid " " and resid 1943 and name HB3 )) (( segid " " and resid 1943 and name HB2 )) 2.100 0.500 0.500 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.64315E-02 ppm1 3.031 ppm2 2.666 CV 1 ASSI { 1295} (( segid " " and resid 1943 and name HA )) (( segid " " and resid 1943 and name HB2 )) 2.600 0.900 0.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.35471E-02 ppm1 4.593 ppm2 2.666 CV 1 ASSI { 1296} (( segid " " and resid 1943 and name HA )) (( segid " " and resid 1943 and name HB3 )) 2.900 1.100 1.100 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.24587E-02 ppm1 4.594 ppm2 3.030 CV 1 ASSI { 1302} (( segid " " and resid 1943 and name HB3 )) (( segid " " and resid 1946 and name HA )) 4.800 2.800 1.200 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.29984E-03 ppm1 3.036 ppm2 3.861 CV 1 ASSI { 1305} (( segid " " and resid 1943 and name HA )) (( segid " " and resid 1943 and name H )) 2.800 1.000 1.000 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.26626E-02 ppm1 4.594 ppm2 7.679 CV 1 ASSI { 1309} (( segid " " and resid 1943 and name HB3 )) (( segid " " and resid 1946 and name H )) 3.200 1.300 1.300 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.99244E-03 ppm1 3.029 ppm2 8.128 CV 1 ASSI { 1310} (( segid " " and resid 1943 and name HB3 )) (( segid " " and resid 1944 and name H )) 4.300 2.300 1.700 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.41078E-03 ppm1 3.027 ppm2 8.296 CV 1 ASSI { 1312} (( segid " " and resid 1943 and name HB2 )) (( segid " " and resid 1944 and name H )) 4.500 2.500 1.500 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.60567E-03 ppm1 2.670 ppm2 8.300 CV 1 ASSI { 1313} (( segid " " and resid 1943 and name HA )) (( segid " " and resid 1945 and name H )) 3.600 1.600 1.600 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.15352E-02 ppm1 4.593 ppm2 8.115 CV 1 ASSI { 1314} (( segid " " and resid 1943 and name HA )) (( segid " " and resid 1944 and name H )) 2.200 0.600 0.600 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.90883E-02 ppm1 4.594 ppm2 8.299 CV 1 ASSI { 1315} (( segid " " and resid 1942 and name HA )) (( segid " " and resid 1942 and name HB2 )) 2.400 0.700 0.700 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.86114E-02 ppm1 4.529 ppm2 3.985 CV 1 ASSI { 1316} (( segid " " and resid 1942 and name HA )) (( segid " " and resid 1942 and name HB3 )) 2.400 0.700 0.700 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.91482E-02 ppm1 4.529 ppm2 3.884 CV 1 ASSI { 1317} (( segid " " and resid 1942 and name HB2 )) (( segid " " and resid 1942 and name HB3 )) 1.700 0.400 0.500 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.24269E-01 ppm1 3.987 ppm2 3.884 CV 1 ASSI { 1321} (( segid " " and resid 1942 and name HA )) (( segid " " and resid 1943 and name H )) 3.000 1.100 1.100 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.28095E-02 ppm1 4.528 ppm2 7.677 CV 1 ASSI { 1322} (( segid " " and resid 1942 and name HB3 )) (( segid " " and resid 1943 and name H )) 3.600 1.600 1.600 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.78860E-03 ppm1 3.884 ppm2 7.676 CV 1 ASSI { 1323} (( segid " " and resid 1942 and name HB3 )) (( segid " " and resid 1942 and name H )) 3.000 1.100 1.100 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.23238E-02 ppm1 3.886 ppm2 8.125 CV 1 ASSI { 1325} (( segid " " and resid 1942 and name HB2 )) (( segid " " and resid 1942 and name H )) 2.800 1.000 1.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.25846E-02 ppm1 3.990 ppm2 8.125 CV 1 ASSI { 1326} (( segid " " and resid 1941 and name HA )) ( segid " " and resid 1937 and name HD2%) 2.400 0.700 0.700 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.48574E-02 ppm1 4.548 ppm2 0.961 CV 1 ASSI { 1327} (( segid " " and resid 1879 and name HD3 )) ( segid " " and resid 1937 and name HD1%) 4.400 2.400 1.600 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.62666E-03 ppm1 3.414 ppm2 0.948 CV 1 ASSI { 1328} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1937 and name HB2 )) 5.300 3.600 0.700 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.35081E-03 ppm1 4.554 ppm2 1.248 CV 1 ASSI { 1329} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1937 and name HB3 )) 5.000 3.100 1.000 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.42577E-03 ppm1 4.554 ppm2 1.771 CV 1 ASSI { 1330} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1937 and name HG )) 3.400 1.500 1.500 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.27585E-02 ppm1 4.548 ppm2 1.633 CV 1 ASSI { 1331} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1941 and name HB3 )) 2.300 0.700 0.700 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.44795E-02 ppm1 4.548 ppm2 2.143 CV 1 ASSI { 1332} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1941 and name HB2 )) 2.600 0.800 0.800 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.48693E-02 ppm1 4.549 ppm2 1.989 CV 1 ASSI { 1333} (( segid " " and resid 1941 and name HB2 )) (( segid " " and resid 1941 and name HB3 )) 1.800 0.400 0.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.11403E-01 ppm1 1.994 ppm2 2.141 CV 1 ASSI { 1334} (( segid " " and resid 1842 and name HD2 )) (( segid " " and resid 1842 and name HB2 )) 3.300 1.300 1.300 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.30374E-02 ppm1 3.590 ppm2 2.149 CV 1 OR { 1334} (( segid " " and resid 1842 and name HD3 )) (( segid " " and resid 1842 and name HB2 )) ASSI { 1335} (( segid " " and resid 1842 and name HD2 )) (( segid " " and resid 1842 and name HG3 )) 2.200 0.600 0.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.11768E-01 ppm1 3.586 ppm2 1.934 CV 1 OR { 1335} (( segid " " and resid 1842 and name HD3 )) (( segid " " and resid 1842 and name HG3 )) ASSI { 1336} (( segid " " and resid 1941 and name HD2 )) (( segid " " and resid 1941 and name HB3 )) 3.300 1.400 1.400 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.27225E-02 ppm1 3.409 ppm2 2.153 CV 1 ASSI { 1337} (( segid " " and resid 1879 and name HD3 )) (( segid " " and resid 1879 and name HG3 )) 2.400 0.700 0.700 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.55200E-02 ppm1 3.408 ppm2 2.065 CV 1 OR { 1337} (( segid " " and resid 1879 and name HD3 )) (( segid " " and resid 1879 and name HG2 )) ASSI { 1338} (( segid " " and resid 1941 and name HD2 )) (( segid " " and resid 1941 and name HG3 )) 2.700 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.46775E-02 ppm1 3.412 ppm2 1.980 CV 1 ASSI { 1342} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1941 and name HD2 )) 3.700 1.700 1.700 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.91154E-03 ppm1 4.548 ppm2 3.412 CV 1 ASSI { 1343} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1941 and name HD3 )) 3.600 1.600 1.600 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.65363E-03 ppm1 4.549 ppm2 3.612 CV 1 ASSI { 1344} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1938 and name HA )) 3.600 1.600 1.600 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.83057E-03 ppm1 4.549 ppm2 3.745 CV 1 ASSI { 1347} (( segid " " and resid 1941 and name HD3 )) (( segid " " and resid 1941 and name HD2 )) 1.900 0.400 0.400 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.10320E-01 ppm1 3.616 ppm2 3.410 CV 1 ASSI { 1348} (( segid " " and resid 1879 and name HD3 )) (( segid " " and resid 1879 and name HA )) 3.200 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.13553E-02 ppm1 3.407 ppm2 3.914 CV 1 ASSI { 1349} (( segid " " and resid 1879 and name HD3 )) (( segid " " and resid 1879 and name HD2 )) 1.800 0.400 0.400 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.14356E-01 ppm1 3.407 ppm2 3.745 CV 1 ASSI { 1355} (( segid " " and resid 1941 and name HG2 )) (( segid " " and resid 1941 and name HD2 )) 2.600 0.800 0.800 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.24887E-02 ppm1 1.940 ppm2 3.408 CV 1 ASSI { 1356} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1937 and name HA )) 3.800 1.800 1.800 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.11364E-02 ppm1 4.548 ppm2 4.052 CV 1 ASSI { 1357} (( segid " " and resid 1842 and name HD2 )) (( segid " " and resid 1841 and name HA2 )) 2.300 0.600 0.600 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.80205E-02 ppm1 3.584 ppm2 4.094 CV 1 OR { 1357} (( segid " " and resid 1842 and name HD3 )) (( segid " " and resid 1841 and name HA2 )) ASSI { 1362} (( segid " " and resid 1842 and name HG2 )) (( segid " " and resid 1842 and name HA )) 4.500 2.500 1.500 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.59068E-03 ppm1 1.991 ppm2 4.353 CV 1 ASSI { 1363} (( segid " " and resid 1941 and name HG3 )) (( segid " " and resid 1941 and name HA )) 3.700 1.700 1.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.15771E-02 ppm1 1.990 ppm2 4.543 CV 1 ASSI { 1364} (( segid " " and resid 1842 and name HG3 )) (( segid " " and resid 1842 and name HA )) 3.700 1.700 1.700 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.12683E-02 ppm1 1.930 ppm2 4.364 CV 1 ASSI { 1365} (( segid " " and resid 1941 and name HD2 )) (( segid " " and resid 1939 and name HA )) 4.100 2.100 1.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.53371E-03 ppm1 3.416 ppm2 4.319 CV 1 ASSI { 1368} (( segid " " and resid 1879 and name HD3 )) (( segid " " and resid 1878 and name HA )) 2.700 0.900 0.900 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.55290E-02 ppm1 3.408 ppm2 4.881 CV 1 ASSI { 1369} (( segid " " and resid 1941 and name HG3 )) (( segid " " and resid 1940 and name HA )) 4.800 2.900 1.200 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.90549E-03 ppm1 1.988 ppm2 4.834 CV 1 ASSI { 1370} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1943 and name H )) 3.600 1.600 1.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.68961E-03 ppm1 4.550 ppm2 7.678 CV 1 ASSI { 1371} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1940 and name H )) 3.800 1.800 1.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.48274E-03 ppm1 4.550 ppm2 7.458 CV 1 ASSI { 1372} (( segid " " and resid 1941 and name HD3 )) (( segid " " and resid 1940 and name H )) 3.100 1.200 1.200 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.11573E-02 ppm1 3.617 ppm2 7.456 CV 1 ASSI { 1374} (( segid " " and resid 1941 and name HD2 )) (( segid " " and resid 1939 and name H )) 3.800 1.800 1.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.20089E-03 ppm1 3.423 ppm2 7.195 CV 1 ASSI { 1375} (( segid " " and resid 1941 and name HA )) (( segid " " and resid 1942 and name H )) 3.300 1.400 1.400 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.85451E-03 ppm1 4.548 ppm2 8.125 CV 1 ASSI { 1376} (( segid " " and resid 1941 and name HB2 )) (( segid " " and resid 1942 and name H )) 3.400 1.400 1.400 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.89351E-03 ppm1 1.996 ppm2 8.129 CV 1 ASSI { 1379} (( segid " " and resid 1940 and name HB2 )) ( segid " " and resid 1946 and name HG2%) 3.500 1.500 1.500 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.83958E-03 ppm1 3.748 ppm2 1.138 CV 1 ASSI { 1380} (( segid " " and resid 1940 and name HB2 )) ( segid " " and resid 1937 and name HD2%) 3.500 1.500 1.500 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.70164E-03 ppm1 3.745 ppm2 0.958 CV 1 ASSI { 1381} (( segid " " and resid 1940 and name HB2 )) ( segid " " and resid 1936 and name HB% ) 4.100 2.100 1.900 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.31483E-03 ppm1 3.743 ppm2 1.502 CV 1 ASSI { 1382} (( segid " " and resid 1940 and name HA )) (( segid " " and resid 1941 and name HB3 )) 5.000 3.100 1.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.39279E-03 ppm1 4.835 ppm2 2.138 CV 1 ASSI { 1384} (( segid " " and resid 1940 and name HB2 )) (( segid " " and resid 1943 and name HB2 )) 3.400 1.400 1.400 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.12893E-02 ppm1 3.748 ppm2 2.667 CV 1 ASSI { 1385} (( segid " " and resid 1940 and name HA )) (( segid " " and resid 1939 and name HB3 )) 4.000 2.000 2.000 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.38979E-03 ppm1 4.839 ppm2 3.010 CV 1 ASSI { 1386} (( segid " " and resid 1940 and name HB2 )) (( segid " " and resid 1941 and name HD2 )) 4.900 2.900 1.100 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.46775E-03 ppm1 3.744 ppm2 3.402 CV 1 ASSI { 1389} (( segid " " and resid 1940 and name HA )) (( segid " " and resid 1941 and name HD3 )) 2.900 1.000 1.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.58888E-02 ppm1 4.835 ppm2 3.614 CV 1 ASSI { 1390} (( segid " " and resid 1940 and name HA )) (( segid " " and resid 1941 and name HD2 )) 2.300 0.700 0.700 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.46235E-02 ppm1 4.835 ppm2 3.410 CV 1 ASSI { 1392} (( segid " " and resid 1940 and name HA )) (( segid " " and resid 1939 and name HA )) 4.200 2.200 1.800 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.33882E-03 ppm1 4.833 ppm2 4.314 CV 1 ASSI { 1393} (( segid " " and resid 1940 and name HB2 )) (( segid " " and resid 1940 and name HA )) 2.800 1.000 1.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.38319E-02 ppm1 3.746 ppm2 4.830 CV 1 ASSI { 1394} (( segid " " and resid 1940 and name HB2 )) (( segid " " and resid 1943 and name H )) 4.300 2.300 1.700 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.59968E-03 ppm1 3.749 ppm2 7.673 CV 1 ASSI { 1395} (( segid " " and resid 1940 and name HB2 )) (( segid " " and resid 1940 and name H )) 2.600 0.900 0.900 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.31363E-02 ppm1 3.746 ppm2 7.456 CV 1 ASSI { 1396} (( segid " " and resid 1940 and name HA )) (( segid " " and resid 1939 and name H )) 4.700 2.800 1.300 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 4.834 ppm2 7.193 CV 1 ASSI { 1398} (( segid " " and resid 1940 and name HA )) (( segid " " and resid 1943 and name H )) 4.500 2.500 1.500 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.28485E-03 ppm1 4.832 ppm2 7.680 CV 1 ASSI { 1400} (( segid " " and resid 1940 and name HB2 )) (( segid " " and resid 1942 and name H )) 5.000 3.100 1.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.24887E-03 ppm1 3.734 ppm2 8.123 CV 1 ASSI { 1401} (( segid " " and resid 1939 and name HA )) (( segid " " and resid 1938 and name HB3 )) 3.800 1.800 1.800 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.48274E-03 ppm1 4.323 ppm2 2.131 CV 1 ASSI { 1403} (( segid " " and resid 1939 and name HA )) (( segid " " and resid 1939 and name HB2 )) 2.500 0.800 0.800 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.70879E-02 ppm1 4.321 ppm2 2.999 CV 1 OR { 1403} (( segid " " and resid 1939 and name HA )) (( segid " " and resid 1939 and name HB3 )) ASSI { 1405} (( segid " " and resid 1939 and name HA )) (( segid " " and resid 1938 and name HA )) 3.900 1.900 1.900 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.60268E-03 ppm1 4.317 ppm2 3.758 CV 1 ASSI { 1406} (( segid " " and resid 1939 and name HB3 )) (( segid " " and resid 1940 and name HB2 )) 3.600 1.600 1.600 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.72263E-03 ppm1 2.994 ppm2 3.741 CV 1 OR { 1406} (( segid " " and resid 1939 and name HB2 )) (( segid " " and resid 1940 and name HB2 )) ASSI { 1408} (( segid " " and resid 1939 and name HA )) (( segid " " and resid 1939 and name H )) 2.700 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.37959E-02 ppm1 4.322 ppm2 7.186 CV 1 ASSI { 1409} (( segid " " and resid 1939 and name HB2 )) (( segid " " and resid 1939 and name H )) 2.600 0.800 0.800 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.48004E-02 ppm1 3.001 ppm2 7.186 CV 1 OR { 1409} (( segid " " and resid 1939 and name HB3 )) (( segid " " and resid 1939 and name H )) ASSI { 1411} (( segid " " and resid 1939 and name HA )) (( segid " " and resid 1940 and name H )) 3.200 1.300 1.300 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.16401E-02 ppm1 4.324 ppm2 7.456 CV 1 ASSI { 1412} (( segid " " and resid 1939 and name HB2 )) (( segid " " and resid 1938 and name H )) 4.800 2.900 1.200 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.34482E-03 ppm1 3.003 ppm2 7.938 CV 1 ASSI { 1413} (( segid " " and resid 1939 and name HA )) (( segid " " and resid 1938 and name H )) 4.800 2.800 1.200 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.39879E-03 ppm1 4.324 ppm2 7.923 CV 1 ASSI { 1414} (( segid " " and resid 1938 and name HA )) ( segid " " and resid 1937 and name HD1%) 2.900 1.100 1.100 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.18020E-02 ppm1 3.749 ppm2 0.947 CV 1 ASSI { 1416} (( segid " " and resid 1938 and name HG3 )) ( segid " " and resid 1882 and name HD1%) 2.900 1.100 1.100 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.17570E-02 ppm1 2.514 ppm2 0.940 CV 1 ASSI { 1418} (( segid " " and resid 1938 and name HA )) ( segid " " and resid 1934 and name HB% ) 4.900 3.000 1.100 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.29084E-03 ppm1 3.748 ppm2 1.342 CV 1 ASSI { 1419} (( segid " " and resid 1938 and name HA )) (( segid " " and resid 1882 and name HB2 )) 4.700 2.700 1.300 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.34781E-03 ppm1 3.746 ppm2 1.279 CV 1 ASSI { 1420} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1882 and name HB2 )) 3.000 1.100 1.100 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.75558E-03 ppm1 2.511 ppm2 1.280 CV 1 ASSI { 1421} (( segid " " and resid 1938 and name HG2 )) (( segid " " and resid 1882 and name HB2 )) 4.000 2.000 2.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.47075E-03 ppm1 2.343 ppm2 1.280 CV 1 ASSI { 1422} (( segid " " and resid 1938 and name HA )) (( segid " " and resid 1938 and name HG2 )) 2.600 0.800 0.800 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.28814E-02 ppm1 3.750 ppm2 2.338 CV 1 ASSI { 1423} (( segid " " and resid 1938 and name HA )) (( segid " " and resid 1938 and name HB2 )) 2.600 0.900 0.900 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.53491E-02 ppm1 3.749 ppm2 2.190 CV 1 ASSI { 1424} (( segid " " and resid 1938 and name HA )) (( segid " " and resid 1938 and name HB3 )) 2.500 0.800 0.800 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.55140E-02 ppm1 3.748 ppm2 2.137 CV 1 ASSI { 1425} (( segid " " and resid 1938 and name HA )) (( segid " " and resid 1941 and name HG3 )) 3.200 1.300 1.300 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 3.750 ppm2 1.987 CV 1 ASSI { 1426} (( segid " " and resid 1938 and name HA )) (( segid " " and resid 1879 and name HB3 )) 3.900 1.900 1.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 3.748 ppm2 1.902 CV 1 ASSI { 1428} (( segid " " and resid 1938 and name HA )) (( segid " " and resid 1937 and name HG )) 4.800 2.900 1.200 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.38379E-03 ppm1 3.746 ppm2 1.635 CV 1 ASSI { 1429} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1938 and name HG2 )) 1.800 0.400 0.400 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.11573E-01 ppm1 2.519 ppm2 2.337 CV 1 ASSI { 1430} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1938 and name HB2 )) 2.400 0.700 0.700 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.35291E-02 ppm1 2.516 ppm2 2.197 CV 1 ASSI { 1431} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1938 and name HB3 )) 3.100 1.200 1.200 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.27435E-02 ppm1 2.515 ppm2 2.137 CV 1 ASSI { 1432} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1882 and name HB3 )) 3.900 1.900 1.900 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.77959E-03 ppm1 2.528 ppm2 1.972 CV 1 ASSI { 1433} (( segid " " and resid 1938 and name HG2 )) (( segid " " and resid 1938 and name HB2 )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.62966E-02 ppm1 2.333 ppm2 2.199 CV 1 ASSI { 1436} (( segid " " and resid 1938 and name HB3 )) (( segid " " and resid 1939 and name HB2 )) 4.400 2.400 1.600 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.36281E-03 ppm1 2.123 ppm2 3.001 CV 1 ASSI { 1437} (( segid " " and resid 1938 and name HA )) (( segid " " and resid 1941 and name HD2 )) 5.000 3.100 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 3.748 ppm2 3.406 CV 1 ASSI { 1439} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1938 and name HA )) 2.900 1.000 1.000 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.31213E-02 ppm1 2.517 ppm2 3.745 CV 1 ASSI { 1441} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1879 and name HA )) 3.900 1.900 1.900 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.49773E-03 ppm1 2.506 ppm2 3.931 CV 1 ASSI { 1442} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1880 and name HA )) 3.400 1.500 1.500 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.19850E-02 ppm1 2.519 ppm2 4.253 CV 1 ASSI { 1446} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1938 and name HE22)) 3.700 1.800 1.800 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.13103E-02 ppm1 2.514 ppm2 7.078 CV 1 ASSI { 1451} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1939 and name H )) 4.600 2.600 1.400 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.46775E-03 ppm1 2.519 ppm2 7.187 CV 1 ASSI { 1452} (( segid " " and resid 1938 and name HG2 )) (( segid " " and resid 1939 and name H )) 4.500 2.600 1.500 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.54871E-03 ppm1 2.326 ppm2 7.185 CV 1 ASSI { 1453} (( segid " " and resid 1938 and name HA )) (( segid " " and resid 1940 and name H )) 3.800 1.800 1.800 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.52772E-03 ppm1 3.752 ppm2 7.457 CV 1 ASSI { 1456} (( segid " " and resid 1938 and name HB2 )) (( segid " " and resid 1940 and name H )) 5.100 3.300 0.900 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.22188E-03 ppm1 2.210 ppm2 7.459 CV 1 ASSI { 1457} (( segid " " and resid 1938 and name HG2 )) (( segid " " and resid 1938 and name H )) 3.700 1.800 1.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.15711E-02 ppm1 2.341 ppm2 7.926 CV 1 ASSI { 1460} (( segid " " and resid 1938 and name HA )) (( segid " " and resid 1938 and name H )) 2.600 0.800 0.800 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.41018E-02 ppm1 3.749 ppm2 7.926 CV 1 ASSI { 1461} (( segid " " and resid 1938 and name HG3 )) (( segid " " and resid 1882 and name H )) 3.800 1.800 1.800 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.72861E-03 ppm1 2.508 ppm2 7.825 CV 1 ASSI { 1462} (( segid " " and resid 1938 and name HA )) (( segid " " and resid 1937 and name H )) 4.900 3.000 1.100 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.32383E-03 ppm1 3.754 ppm2 8.214 CV 1 ASSI { 1463} (( segid " " and resid 1938 and name HB3 )) (( segid " " and resid 1937 and name H )) 5.200 3.400 0.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.61767E-03 ppm1 2.116 ppm2 8.217 CV 1 ASSI { 1464} (( segid " " and resid 1938 and name HB2 )) (( segid " " and resid 1937 and name H )) 4.300 2.300 1.700 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.55470E-03 ppm1 2.208 ppm2 8.216 CV 1 ASSI { 1466} (( segid " " and resid 1937 and name HA )) (( segid " " and resid 1937 and name HB2 )) 2.500 0.800 0.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.28095E-02 ppm1 4.054 ppm2 1.253 CV 1 ASSI { 1467} (( segid " " and resid 1937 and name HA )) ( segid " " and resid 1946 and name HG2%) 2.700 0.900 0.900 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.30673E-02 ppm1 4.054 ppm2 1.135 CV 1 ASSI { 1468} (( segid " " and resid 1937 and name HA )) ( segid " " and resid 1937 and name HD2%) 2.200 0.600 0.600 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.69321E-02 ppm1 4.054 ppm2 0.962 CV 1 ASSI { 1469} (( segid " " and resid 1937 and name HA )) ( segid " " and resid 1950 and name HD1%) 4.900 3.000 1.100 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.30284E-03 ppm1 4.053 ppm2 0.784 CV 1 ASSI { 1470} ( segid " " and resid 1937 and name HD1%) ( segid " " and resid 1946 and name HG2%) 4.700 2.700 1.300 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.79755E-03 ppm1 0.933 ppm2 1.144 CV 1 ASSI { 1471} ( segid " " and resid 1937 and name HD2%) (( segid " " and resid 1937 and name HB2 )) 2.500 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.47194E-02 ppm1 0.968 ppm2 1.256 CV 1 ASSI { 1473} (( segid " " and resid 1937 and name HA )) (( segid " " and resid 1937 and name HG )) 3.500 1.500 1.500 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 4.055 ppm2 1.635 CV 1 ASSI { 1474} (( segid " " and resid 1937 and name HA )) ( segid " " and resid 1936 and name HB% ) 3.800 1.800 1.800 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.61767E-03 ppm1 4.050 ppm2 1.515 CV 1 ASSI { 1475} ( segid " " and resid 1937 and name HD1%) (( segid " " and resid 1937 and name HG )) 2.100 0.600 0.600 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.84286E-02 ppm1 0.933 ppm2 1.634 CV 1 ASSI { 1477} ( segid " " and resid 1937 and name HD1%) (( segid " " and resid 1879 and name HG3 )) 3.800 1.800 1.800 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.15262E-02 ppm1 0.931 ppm2 2.070 CV 1 OR { 1477} ( segid " " and resid 1937 and name HD1%) (( segid " " and resid 1879 and name HG2 )) ASSI { 1478} (( segid " " and resid 1937 and name HA )) (( segid " " and resid 1941 and name HB3 )) 4.700 2.700 1.300 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.33582E-03 ppm1 4.049 ppm2 2.149 CV 1 ASSI { 1479} (( segid " " and resid 1937 and name HG )) (( segid " " and resid 1941 and name HB3 )) 4.600 2.600 1.400 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.60567E-03 ppm1 1.653 ppm2 2.154 CV 1 ASSI { 1480} (( segid " " and resid 1937 and name HA )) (( segid " " and resid 1943 and name HB3 )) 4.600 2.700 1.400 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.28185E-03 ppm1 4.054 ppm2 3.027 CV 1 ASSI { 1482} (( segid " " and resid 1937 and name HA )) (( segid " " and resid 1940 and name HB2 )) 3.300 1.300 1.300 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.81557E-03 ppm1 4.053 ppm2 3.751 CV 1 ASSI { 1483} ( segid " " and resid 1937 and name HD2%) (( segid " " and resid 1947 and name HA )) 2.700 0.900 0.900 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.44976E-02 ppm1 0.966 ppm2 3.771 CV 1 ASSI { 1487} (( segid " " and resid 1812 and name HG3 )) (( segid " " and resid 1812 and name HD3 )) 2.900 1.100 1.100 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.12533E-02 ppm1 1.664 ppm2 3.676 CV 1 ASSI { 1489} (( segid " " and resid 1937 and name HB2 )) (( segid " " and resid 1934 and name HA )) 3.600 1.600 1.600 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.10045E-02 ppm1 1.259 ppm2 3.923 CV 1 ASSI { 1490} (( segid " " and resid 1937 and name HA )) (( segid " " and resid 1934 and name HA )) 5.300 3.500 0.700 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.19190E-03 ppm1 4.065 ppm2 3.922 CV 1 ASSI { 1491} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1923 and name HA )) 4.100 2.100 1.900 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.12743E-02 ppm1 1.015 ppm2 4.089 CV 1 ASSI { 1492} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1861 and name HA )) 3.500 1.600 1.600 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.80958E-03 ppm1 1.014 ppm2 3.909 CV 1 ASSI { 1493} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1893 and name HA )) 3.300 1.300 1.300 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.51872E-03 ppm1 1.013 ppm2 3.818 CV 1 ASSI { 1494} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1920 and name HA )) 3.200 1.300 1.300 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.12623E-02 ppm1 1.015 ppm2 3.607 CV 1 ASSI { 1495} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1961 and name HA )) 2.900 1.100 1.100 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.19040E-02 ppm1 1.015 ppm2 3.475 CV 1 ASSI { 1497} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1923 and name HB2 )) 2.500 0.800 0.800 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.37990E-02 ppm1 1.015 ppm2 2.392 CV 1 ASSI { 1499} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1864 and name HG13)) 4.700 2.700 1.300 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.39579E-03 ppm1 1.022 ppm2 2.014 CV 1 ASSI { 1500} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1960 and name HB3 )) 4.500 2.500 1.500 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.41678E-03 ppm1 1.018 ppm2 1.952 CV 1 ASSI { 1501} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1896 and name HB3 )) 3.300 1.400 1.400 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.45875E-03 ppm1 1.013 ppm2 1.812 CV 1 ASSI { 1502} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1923 and name HG )) 2.400 0.700 0.700 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.53881E-02 ppm1 1.014 ppm2 1.665 CV 1 ASSI { 1503} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1923 and name HB3 )) 2.800 1.000 1.000 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.27105E-02 ppm1 1.014 ppm2 1.465 CV 1 ASSI { 1504} ( segid " " and resid 1923 and name HD1%) ( segid " " and resid 1861 and name HB% ) 3.200 1.300 1.300 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.12533E-02 ppm1 1.015 ppm2 1.390 CV 1 ASSI { 1508} ( segid " " and resid 1937 and name HD1%) (( segid " " and resid 1941 and name HA )) 2.900 1.100 1.100 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.14572E-02 ppm1 0.934 ppm2 4.550 CV 1 ASSI { 1510} ( segid " " and resid 1923 and name HD1%) ( segid " " and resid 1893 and name HD% ) 3.100 1.200 1.200 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.12083E-02 ppm1 1.013 ppm2 6.783 CV 1 ASSI { 1511} ( segid " " and resid 1923 and name HD1%) ( segid " " and resid 1893 and name HE% ) 3.100 1.200 1.200 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.18170E-02 ppm1 1.014 ppm2 6.641 CV 1 ASSI { 1512} (( segid " " and resid 1937 and name HA )) (( segid " " and resid 1940 and name H )) 3.000 1.100 1.100 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.14722E-02 ppm1 4.054 ppm2 7.456 CV 1 ASSI { 1517} ( segid " " and resid 1937 and name HD2%) (( segid " " and resid 1943 and name H )) 2.900 1.100 1.100 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.20389E-02 ppm1 0.969 ppm2 7.677 CV 1 ASSI { 1520} (( segid " " and resid 1937 and name HA )) (( segid " " and resid 1937 and name H )) 2.700 0.900 0.900 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.25996E-02 ppm1 4.054 ppm2 8.211 CV 1 ASSI { 1521} (( segid " " and resid 1937 and name HA )) (( segid " " and resid 1938 and name H )) 3.400 1.400 1.400 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.87852E-03 ppm1 4.054 ppm2 7.925 CV 1 ASSI { 1522} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1924 and name H )) 4.300 2.400 1.700 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.68961E-03 ppm1 1.017 ppm2 7.861 CV 1 ASSI { 1524} ( segid " " and resid 1937 and name HD1%) (( segid " " and resid 1938 and name H )) 3.800 1.800 1.800 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.47974E-03 ppm1 0.933 ppm2 7.927 CV 1 ASSI { 1526} ( segid " " and resid 1937 and name HD2%) (( segid " " and resid 1947 and name H )) 2.600 0.900 0.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.43327E-02 ppm1 0.970 ppm2 7.819 CV 1 ASSI { 1527} ( segid " " and resid 1937 and name HD2%) (( segid " " and resid 1937 and name H )) 3.600 1.700 1.700 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.21558E-02 ppm1 0.963 ppm2 8.198 CV 1 ASSI { 1528} ( segid " " and resid 1937 and name HD2%) (( segid " " and resid 1946 and name H )) 3.700 1.700 1.700 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.20179E-02 ppm1 0.967 ppm2 8.139 CV 1 ASSI { 1529} ( segid " " and resid 1920 and name HG2%) (( segid " " and resid 1921 and name H )) 3.900 1.900 1.900 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.12503E-02 ppm1 0.970 ppm2 9.023 CV 1 ASSI { 1530} ( segid " " and resid 1936 and name HB% ) (( segid " " and resid 1937 and name H )) 2.500 0.800 0.800 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.64404E-02 ppm1 1.511 ppm2 8.212 CV 1 ASSI { 1531} ( segid " " and resid 1929 and name HB% ) (( segid " " and resid 1931 and name H )) 4.200 2.200 1.800 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.69263E-03 ppm1 1.499 ppm2 8.587 CV 1 ASSI { 1532} ( segid " " and resid 1929 and name HB% ) (( segid " " and resid 1928 and name H )) 3.900 1.900 1.900 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.12953E-02 ppm1 1.496 ppm2 8.491 CV 1 ASSI { 1533} (( segid " " and resid 1947 and name HG2 )) (( segid " " and resid 1950 and name H )) 4.600 2.600 1.400 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.21888E-03 ppm1 1.359 ppm2 8.388 CV 1 ASSI { 1534} ( segid " " and resid 1936 and name HB% ) (( segid " " and resid 1936 and name H )) 2.200 0.600 0.600 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.11687E-01 ppm1 1.512 ppm2 7.648 CV 1 ASSI { 1535} ( segid " " and resid 1929 and name HB% ) (( segid " " and resid 1930 and name H )) 2.500 0.800 0.800 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.58378E-02 ppm1 1.499 ppm2 7.951 CV 1 ASSI { 1537} (( segid " " and resid 1936 and name HA )) (( segid " " and resid 1939 and name H )) 3.500 1.500 1.500 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.84852E-03 ppm1 4.147 ppm2 7.189 CV 1 ASSI { 1538} ( segid " " and resid 1929 and name HB% ) (( segid " " and resid 1929 and name H )) 2.200 0.600 0.600 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.12629E-01 ppm1 1.497 ppm2 7.260 CV 1 ASSI { 1540} ( segid " " and resid 1929 and name HB% ) (( segid " " and resid 1932 and name HB )) 4.000 2.000 2.000 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.10074E-02 ppm1 1.499 ppm2 4.342 CV 1 ASSI { 1541} (( segid " " and resid 1936 and name HA )) (( segid " " and resid 1939 and name HB2 )) 3.100 1.200 1.200 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.17601E-02 ppm1 4.148 ppm2 2.992 CV 1 ASSI { 1543} ( segid " " and resid 1936 and name HB% ) ( segid " " and resid 1946 and name HG2%) 2.300 2.300 3.700 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.89564E-02 ppm1 1.509 ppm2 1.136 CV 1 ASSI { 1544} ( segid " " and resid 1929 and name HB% ) ( segid " " and resid 1957 and name HG2%) 3.000 1.100 1.100 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.31962E-02 ppm1 1.504 ppm2 0.927 CV 1 ASSI { 1546} (( segid " " and resid 1825 and name HA2 )) (( segid " " and resid 1828 and name HB )) 3.400 1.500 1.500 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.14153E-02 ppm1 3.736 ppm2 2.057 CV 1 ASSI { 1547} (( segid " " and resid 1935 and name HA3 )) (( segid " " and resid 1938 and name HB2 )) 4.700 2.800 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.50673E-03 ppm1 3.641 ppm2 2.201 CV 1 ASSI { 1548} (( segid " " and resid 1935 and name HA3 )) (( segid " " and resid 1823 and name HB )) 3.800 1.800 1.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.50073E-03 ppm1 3.649 ppm2 2.130 CV 1 ASSI { 1549} (( segid " " and resid 1935 and name HA2 )) ( segid " " and resid 1936 and name HB% ) 5.000 3.200 1.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.35981E-03 ppm1 3.749 ppm2 1.502 CV 1 ASSI { 1550} (( segid " " and resid 1935 and name HA3 )) ( segid " " and resid 1936 and name HB% ) 4.700 2.700 1.300 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.36880E-03 ppm1 3.655 ppm2 1.502 CV 1 ASSI { 1552} (( segid " " and resid 1935 and name HA3 )) ( segid " " and resid 1934 and name HB% ) 4.400 2.500 1.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.48874E-03 ppm1 3.648 ppm2 1.349 CV 1 ASSI { 1554} (( segid " " and resid 1935 and name HA3 )) ( segid " " and resid 1823 and name HG2%) 3.200 1.300 1.300 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.18170E-02 ppm1 3.649 ppm2 0.938 CV 1 ASSI { 1556} (( segid " " and resid 1935 and name HA3 )) (( segid " " and resid 1936 and name H )) 3.300 1.300 1.300 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.99843E-03 ppm1 3.647 ppm2 7.656 CV 1 ASSI { 1557} (( segid " " and resid 1935 and name HA2 )) (( segid " " and resid 1938 and name H )) 3.800 1.800 1.800 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.50673E-03 ppm1 3.755 ppm2 7.929 CV 1 ASSI { 1558} (( segid " " and resid 1935 and name HA3 )) (( segid " " and resid 1938 and name H )) 4.800 2.900 1.200 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.28785E-03 ppm1 3.649 ppm2 7.934 CV 1 ASSI { 1559} (( segid " " and resid 1935 and name HA2 )) (( segid " " and resid 1935 and name H )) 2.900 1.000 1.000 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.40868E-02 ppm1 3.752 ppm2 8.204 CV 1 ASSI { 1560} (( segid " " and resid 1935 and name HA3 )) (( segid " " and resid 1935 and name H )) 2.600 0.900 0.900 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.28994E-02 ppm1 3.650 ppm2 8.215 CV 1 ASSI { 1561} (( segid " " and resid 1914 and name HA )) (( segid " " and resid 1918 and name H )) 3.700 1.700 1.700 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.73762E-03 ppm1 3.967 ppm2 8.673 CV 1 ASSI { 1563} ( segid " " and resid 1934 and name HB% ) (( segid " " and resid 1935 and name H )) 2.600 0.800 0.800 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.38169E-02 ppm1 1.349 ppm2 8.211 CV 1 ASSI { 1564} ( segid " " and resid 1934 and name HB% ) (( segid " " and resid 1934 and name HA )) 2.100 0.600 0.600 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.99457E-02 ppm1 1.351 ppm2 3.921 CV 1 ASSI { 1566} ( segid " " and resid 1934 and name HB% ) (( segid " " and resid 1935 and name HA2 )) 3.500 1.500 1.500 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 1.351 ppm2 3.734 CV 1 ASSI { 1567} (( segid " " and resid 1934 and name HA )) (( segid " " and resid 1931 and name HA )) 4.500 2.500 1.500 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.49773E-03 ppm1 3.929 ppm2 3.500 CV 1 ASSI { 1569} (( segid " " and resid 1886 and name HA )) (( segid " " and resid 1889 and name HB3 )) 2.600 0.800 0.800 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.27015E-02 ppm1 3.862 ppm2 1.953 CV 1 ASSI { 1570} (( segid " " and resid 1886 and name HA )) ( segid " " and resid 1871 and name HE% ) 2.400 0.700 0.700 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.52501E-02 ppm1 3.863 ppm2 1.804 CV 1 ASSI { 1571} (( segid " " and resid 1886 and name HA )) ( segid " " and resid 1886 and name HB% ) 2.200 0.600 0.600 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.88811E-02 ppm1 3.864 ppm2 1.466 CV 1 ASSI { 1572} ( segid " " and resid 1934 and name HB% ) ( segid " " and resid 1882 and name HD1%) 2.700 0.900 0.900 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.80353E-02 ppm1 1.351 ppm2 0.936 CV 1 ASSI { 1574} (( segid " " and resid 1934 and name HA )) ( segid " " and resid 1882 and name HD1%) 2.500 0.800 0.800 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.45785E-02 ppm1 3.922 ppm2 0.949 CV 1 ASSI { 1578} (( segid " " and resid 1934 and name HA )) (( segid " " and resid 1937 and name HB3 )) 2.600 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.23537E-02 ppm1 3.921 ppm2 1.779 CV 1 ASSI { 1579} (( segid " " and resid 1934 and name HA )) (( segid " " and resid 1937 and name HG )) 3.900 1.900 1.900 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.76755E-03 ppm1 3.923 ppm2 1.638 CV 1 ASSI { 1580} (( segid " " and resid 1934 and name HA )) (( segid " " and resid 1950 and name HG )) 4.500 2.500 1.500 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.84254E-03 ppm1 3.918 ppm2 1.579 CV 1 ASSI { 1582} (( segid " " and resid 1923 and name HA )) ( segid " " and resid 1923 and name HD2%) 2.400 0.700 0.700 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.59908E-02 ppm1 4.091 ppm2 0.992 CV 1 ASSI { 1584} (( segid " " and resid 1885 and name HA )) ( segid " " and resid 1885 and name HD1%) 3.800 1.800 1.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.16281E-02 ppm1 4.123 ppm2 0.763 CV 1 ASSI { 1585} (( segid " " and resid 1885 and name HA )) (( segid " " and resid 1885 and name HB3 )) 2.500 0.800 0.800 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.27225E-02 ppm1 4.121 ppm2 1.278 CV 1 ASSI { 1586} (( segid " " and resid 1874 and name HB2 )) ( segid " " and resid 1882 and name HD2%) 2.900 1.100 1.100 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.20989E-02 ppm1 1.697 ppm2 0.900 CV 1 OR { 1586} (( segid " " and resid 1874 and name HB3 )) ( segid " " and resid 1882 and name HD2%) ASSI { 1588} (( segid " " and resid 1933 and name HB2 )) ( segid " " and resid 1950 and name HD1%) 4.600 2.700 1.400 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.10674E-02 ppm1 2.021 ppm2 0.792 CV 1 ASSI { 1589} (( segid " " and resid 1933 and name HB2 )) ( segid " " and resid 1946 and name HG2%) 4.700 2.700 1.300 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.49473E-03 ppm1 2.021 ppm2 1.141 CV 1 ASSI { 1590} (( segid " " and resid 1933 and name HB3 )) ( segid " " and resid 1932 and name HG2%) 4.400 2.400 1.600 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.52172E-03 ppm1 1.694 ppm2 1.173 CV 1 ASSI { 1591} (( segid " " and resid 1933 and name HB3 )) (( segid " " and resid 1950 and name HG )) 2.700 0.900 0.900 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.31843E-02 ppm1 1.708 ppm2 1.568 CV 1 OR { 1591} (( segid " " and resid 1933 and name HB3 )) (( segid " " and resid 1950 and name HB2 )) ASSI { 1592} (( segid " " and resid 1874 and name HB2 )) (( segid " " and resid 1874 and name HG3 )) 2.200 0.600 0.600 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.54780E-02 ppm1 1.699 ppm2 1.435 CV 1 OR { 1592} (( segid " " and resid 1874 and name HB3 )) (( segid " " and resid 1874 and name HG3 )) OR { 1592} (( segid " " and resid 1874 and name HB2 )) (( segid " " and resid 1874 and name HG2 )) OR { 1592} (( segid " " and resid 1874 and name HB3 )) (( segid " " and resid 1874 and name HG2 )) ASSI { 1593} (( segid " " and resid 1933 and name HE3 )) (( segid " " and resid 1933 and name HD2 )) 2.500 0.800 0.800 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.41797E-02 ppm1 2.831 ppm2 1.650 CV 1 OR { 1593} (( segid " " and resid 1933 and name HE3 )) (( segid " " and resid 1933 and name HG2 )) ASSI { 1594} (( segid " " and resid 1933 and name HE3 )) (( segid " " and resid 1933 and name HG3 )) 2.700 0.900 0.900 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.20059E-02 ppm1 2.830 ppm2 1.461 CV 1 ASSI { 1595} (( segid " " and resid 1933 and name HE2 )) (( segid " " and resid 1933 and name HG3 )) 2.600 0.800 0.800 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.74297E-02 ppm1 2.886 ppm2 1.447 CV 1 ASSI { 1597} (( segid " " and resid 1933 and name HB2 )) (( segid " " and resid 1933 and name HB3 )) 1.900 0.500 0.500 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.58408E-02 ppm1 2.010 ppm2 1.708 CV 1 ASSI { 1598} (( segid " " and resid 1933 and name HB2 )) (( segid " " and resid 1933 and name HD3 )) 2.800 1.000 1.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.15921E-02 ppm1 2.011 ppm2 1.571 CV 1 ASSI { 1599} (( segid " " and resid 1933 and name HB2 )) (( segid " " and resid 1933 and name HG3 )) 3.300 1.300 1.300 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.18320E-02 ppm1 2.009 ppm2 1.449 CV 1 ASSI { 1600} (( segid " " and resid 1960 and name HG3 )) (( segid " " and resid 1960 and name HD3 )) 3.100 1.200 1.200 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.21828E-02 ppm1 1.685 ppm2 1.922 CV 1 ASSI { 1601} (( segid " " and resid 1960 and name HG2 )) (( segid " " and resid 1960 and name HD3 )) 2.500 0.800 0.800 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.24707E-02 ppm1 1.619 ppm2 1.924 CV 1 ASSI { 1602} (( segid " " and resid 1933 and name HE3 )) (( segid " " and resid 1949 and name HG2 )) 4.100 2.100 1.900 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 2.832 ppm2 1.998 CV 1 ASSI { 1604} (( segid " " and resid 1919 and name HA )) (( segid " " and resid 1922 and name HB2 )) 3.000 1.100 1.100 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.57299E-02 ppm1 4.119 ppm2 1.931 CV 1 ASSI { 1605} (( segid " " and resid 1933 and name HE2 )) (( segid " " and resid 1949 and name HB2 )) 2.900 1.000 1.000 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.12953E-02 ppm1 2.878 ppm2 2.206 CV 1 ASSI { 1606} (( segid " " and resid 1960 and name HG3 )) (( segid " " and resid 1960 and name HE3 )) 3.300 1.300 1.300 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.10524E-02 ppm1 1.683 ppm2 2.974 CV 1 OR { 1606} (( segid " " and resid 1960 and name HG3 )) (( segid " " and resid 1960 and name HE2 )) ASSI { 1607} (( segid " " and resid 1960 and name HG2 )) (( segid " " and resid 1960 and name HE3 )) 3.100 1.200 1.200 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.11244E-02 ppm1 1.621 ppm2 2.976 CV 1 OR { 1607} (( segid " " and resid 1960 and name HG2 )) (( segid " " and resid 1960 and name HE2 )) ASSI { 1610} (( segid " " and resid 1874 and name HB3 )) (( segid " " and resid 1878 and name HB2 )) 3.800 1.800 1.800 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.96850E-03 ppm1 1.697 ppm2 3.916 CV 1 OR { 1610} (( segid " " and resid 1874 and name HB2 )) (( segid " " and resid 1878 and name HB2 )) ASSI { 1612} (( segid " " and resid 1933 and name HG2 )) (( segid " " and resid 1933 and name HA )) 3.700 1.700 1.700 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.16911E-02 ppm1 1.627 ppm2 4.087 CV 1 ASSI { 1614} (( segid " " and resid 1919 and name HA )) (( segid " " and resid 1922 and name H )) 3.500 1.500 1.500 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.15952E-02 ppm1 4.120 ppm2 8.447 CV 1 ASSI { 1616} (( segid " " and resid 1932 and name HA )) ( segid " " and resid 1931 and name HG2%) 2.700 0.900 0.900 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.40718E-02 ppm1 3.823 ppm2 0.938 CV 1 ASSI { 1618} (( segid " " and resid 1932 and name HB )) ( segid " " and resid 1931 and name HG2%) 3.700 1.700 1.700 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.72861E-03 ppm1 4.339 ppm2 0.937 CV 1 ASSI { 1620} ( segid " " and resid 1932 and name HG2%) ( segid " " and resid 1931 and name HG2%) 2.700 2.700 3.300 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.15171E-02 ppm1 1.171 ppm2 0.936 CV 1 ASSI { 1621} ( segid " " and resid 1932 and name HG2%) ( segid " " and resid 1824 and name HG1%) 5.600 3.900 0.400 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.10494E-03 ppm1 1.174 ppm2 0.874 CV 1 ASSI { 1622} (( segid " " and resid 1932 and name HB )) (( segid " " and resid 1932 and name HA )) 3.400 1.400 1.400 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.92647E-03 ppm1 4.337 ppm2 3.827 CV 1 ASSI { 1623} ( segid " " and resid 1932 and name HG2%) (( segid " " and resid 1932 and name HA )) 2.500 0.800 0.800 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.81287E-02 ppm1 1.173 ppm2 3.826 CV 1 ASSI { 1625} (( segid " " and resid 1932 and name HA )) (( segid " " and resid 1935 and name H )) 3.300 1.400 1.400 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 3.820 ppm2 8.215 CV 1 ASSI { 1627} ( segid " " and resid 1931 and name HG1%) (( segid " " and resid 1931 and name H )) 2.200 0.600 0.600 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.70493E-02 ppm1 1.000 ppm2 8.589 CV 1 ASSI { 1628} ( segid " " and resid 1931 and name HG2%) (( segid " " and resid 1931 and name H )) 2.400 0.700 0.700 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.46205E-02 ppm1 0.947 ppm2 8.590 CV 1 ASSI { 1630} ( segid " " and resid 1931 and name HG1%) (( segid " " and resid 1886 and name HA )) 2.300 0.600 0.600 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.61617E-02 ppm1 1.001 ppm2 3.872 CV 1 ASSI { 1631} ( segid " " and resid 1931 and name HG2%) (( segid " " and resid 1928 and name HA )) 2.300 0.700 0.700 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.64404E-02 ppm1 0.943 ppm2 3.863 CV 1 ASSI { 1632} ( segid " " and resid 1931 and name HG1%) (( segid " " and resid 1931 and name HA )) 2.300 0.700 0.700 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.69469E-02 ppm1 1.000 ppm2 3.504 CV 1 ASSI { 1633} ( segid " " and resid 1931 and name HG2%) (( segid " " and resid 1931 and name HA )) 2.700 0.900 0.900 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.78017E-02 ppm1 0.943 ppm2 3.501 CV 1 ASSI { 1634} (( segid " " and resid 1931 and name HA )) (( segid " " and resid 1931 and name HB )) 2.600 0.900 0.900 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.26896E-02 ppm1 3.506 ppm2 2.144 CV 1 ASSI { 1635} ( segid " " and resid 1931 and name HG1%) (( segid " " and resid 1931 and name HB )) 2.100 0.600 0.600 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.90851E-02 ppm1 1.001 ppm2 2.146 CV 1 ASSI { 1636} ( segid " " and resid 1931 and name HG2%) (( segid " " and resid 1931 and name HB )) 2.000 0.500 0.500 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.13649E-01 ppm1 0.945 ppm2 2.151 CV 1 ASSI { 1637} ( segid " " and resid 1931 and name HG1%) (( segid " " and resid 1889 and name HB3 )) 2.400 0.700 0.700 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.43177E-02 ppm1 1.022 ppm2 1.953 CV 1 ASSI { 1638} (( segid " " and resid 1931 and name HA )) ( segid " " and resid 1831 and name HD1%) 4.900 3.000 1.100 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 3.506 ppm2 0.650 CV 1 ASSI { 1639} (( segid " " and resid 1930 and name HG )) ( segid " " and resid 1930 and name HD2%) 2.400 0.700 0.700 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.49833E-02 ppm1 1.411 ppm2 0.922 CV 1 ASSI { 1641} (( segid " " and resid 1930 and name HB3 )) ( segid " " and resid 1957 and name HG2%) 3.100 1.200 1.200 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.53011E-02 ppm1 1.406 ppm2 0.929 CV 1 ASSI { 1642} (( segid " " and resid 1896 and name HB2 )) ( segid " " and resid 1896 and name HD2%) 3.000 1.100 1.100 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.35621E-02 ppm1 1.372 ppm2 0.881 CV 1 ASSI { 1643} (( segid " " and resid 1930 and name HA )) ( segid " " and resid 1930 and name HD2%) 2.200 0.600 0.600 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.71304E-02 ppm1 4.038 ppm2 0.914 CV 1 ASSI { 1644} (( segid " " and resid 1930 and name HA )) (( segid " " and resid 1930 and name HG )) 2.600 0.800 0.800 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.40838E-02 ppm1 4.037 ppm2 1.407 CV 1 OR { 1644} (( segid " " and resid 1930 and name HA )) (( segid " " and resid 1930 and name HB3 )) ASSI { 1645} (( segid " " and resid 1930 and name HB2 )) (( segid " " and resid 1930 and name HB3 )) 2.000 0.500 0.500 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.49953E-02 ppm1 1.943 ppm2 1.406 CV 1 OR { 1645} (( segid " " and resid 1930 and name HB2 )) (( segid " " and resid 1930 and name HG )) ASSI { 1646} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1930 and name HG )) 2.100 0.500 0.500 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.99399E-02 ppm1 0.947 ppm2 1.409 CV 1 OR { 1646} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1930 and name HB3 )) ASSI { 1647} ( segid " " and resid 1930 and name HD1%) ( segid " " and resid 1954 and name HB% ) 2.700 0.900 0.900 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.38709E-02 ppm1 0.947 ppm2 1.323 CV 1 ASSI { 1648} ( segid " " and resid 1930 and name HD1%) ( segid " " and resid 1867 and name HG2%) 3.100 1.200 1.200 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.65363E-03 ppm1 0.942 ppm2 1.185 CV 1 ASSI { 1649} ( segid " " and resid 1930 and name HD2%) ( segid " " and resid 1954 and name HB% ) 2.200 0.600 0.600 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.11388E-01 ppm1 0.903 ppm2 1.318 CV 1 ASSI { 1650} ( segid " " and resid 1882 and name HD2%) (( segid " " and resid 1882 and name HG )) 2.100 0.500 0.500 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.11616E-01 ppm1 0.891 ppm2 1.704 CV 1 ASSI { 1651} ( segid " " and resid 1930 and name HD2%) (( segid " " and resid 1950 and name HG )) 2.200 0.600 0.600 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.69862E-02 ppm1 0.910 ppm2 1.567 CV 1 ASSI { 1652} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1889 and name HG )) 4.200 2.200 1.800 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.12623E-02 ppm1 0.946 ppm2 1.557 CV 1 ASSI { 1653} (( segid " " and resid 1930 and name HA )) (( segid " " and resid 1930 and name HB2 )) 2.700 0.900 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.24887E-02 ppm1 4.040 ppm2 1.946 CV 1 ASSI { 1654} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1957 and name HB )) 3.100 1.200 1.200 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.22338E-02 ppm1 0.947 ppm2 2.146 CV 1 ASSI { 1656} ( segid " " and resid 1930 and name HD1%) ( segid " " and resid 1871 and name HE% ) 2.700 0.900 0.900 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.32202E-02 ppm1 0.948 ppm2 1.805 CV 1 ASSI { 1657} (( segid " " and resid 1930 and name HG )) (( segid " " and resid 1930 and name HB2 )) 2.700 0.900 0.900 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.15052E-02 ppm1 1.411 ppm2 1.938 CV 1 ASSI { 1658} (( segid " " and resid 1930 and name HG )) ( segid " " and resid 1871 and name HE% ) 4.300 2.300 1.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 1.412 ppm2 1.807 CV 1 ASSI { 1659} (( segid " " and resid 1960 and name HG3 )) (( segid " " and resid 1960 and name HB2 )) 3.000 1.100 1.100 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.10944E-02 ppm1 1.681 ppm2 2.123 CV 1 ASSI { 1660} (( segid " " and resid 1960 and name HG2 )) (( segid " " and resid 1960 and name HB2 )) 3.000 1.100 1.100 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.12533E-02 ppm1 1.625 ppm2 2.120 CV 1 ASSI { 1661} (( segid " " and resid 1930 and name HA )) (( segid " " and resid 1953 and name HB2 )) 3.500 1.600 1.600 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.93548E-03 ppm1 4.040 ppm2 3.087 CV 1 ASSI { 1662} (( segid " " and resid 1930 and name HA )) (( segid " " and resid 1953 and name HB3 )) 3.000 1.200 1.200 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.13163E-02 ppm1 4.038 ppm2 2.743 CV 1 ASSI { 1663} (( segid " " and resid 1930 and name HB3 )) (( segid " " and resid 1953 and name HB3 )) 4.500 2.500 1.500 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.51572E-03 ppm1 1.403 ppm2 2.737 CV 1 ASSI { 1665} ( segid " " and resid 1930 and name HD2%) (( segid " " and resid 1953 and name HB3 )) 3.100 1.200 1.200 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.29474E-02 ppm1 0.909 ppm2 2.742 CV 1 ASSI { 1667} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1953 and name HB2 )) 4.400 2.400 1.600 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.57569E-03 ppm1 0.946 ppm2 3.078 CV 1 ASSI { 1668} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1868 and name HA )) 2.900 1.100 1.100 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.20059E-02 ppm1 0.947 ppm2 3.439 CV 1 ASSI { 1670} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1927 and name HA )) 3.100 1.200 1.200 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.24077E-02 ppm1 0.947 ppm2 3.911 CV 1 ASSI { 1671} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1954 and name HA )) 2.400 0.700 0.700 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.41617E-02 ppm1 0.948 ppm2 3.834 CV 1 ASSI { 1672} (( segid " " and resid 1930 and name HG )) (( segid " " and resid 1930 and name HA )) 3.100 1.200 1.200 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 1.415 ppm2 4.036 CV 1 ASSI { 1673} (( segid " " and resid 1930 and name HG )) (( segid " " and resid 1927 and name HA )) 4.400 2.400 1.600 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.59668E-03 ppm1 1.410 ppm2 3.914 CV 1 ASSI { 1675} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1930 and name HA )) 3.700 1.700 1.700 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.19490E-02 ppm1 0.947 ppm2 4.027 CV 1 ASSI { 1676} (( segid " " and resid 1930 and name HB3 )) (( segid " " and resid 1930 and name HA )) 3.000 1.100 1.100 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 1.406 ppm2 4.027 CV 1 ASSI { 1679} ( segid " " and resid 1930 and name HD2%) (( segid " " and resid 1930 and name H )) 3.900 1.900 1.900 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.17840E-02 ppm1 0.911 ppm2 7.949 CV 1 ASSI { 1680} ( segid " " and resid 1882 and name HD2%) (( segid " " and resid 1882 and name H )) 3.300 1.400 1.400 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.32262E-02 ppm1 0.890 ppm2 7.834 CV 1 ASSI { 1681} (( segid " " and resid 1930 and name HG )) (( segid " " and resid 1930 and name H )) 4.200 2.200 1.800 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.90549E-03 ppm1 1.410 ppm2 7.949 CV 1 ASSI { 1682} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1930 and name H )) 4.200 2.200 1.800 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.13522E-02 ppm1 0.946 ppm2 7.948 CV 1 ASSI { 1687} ( segid " " and resid 1868 and name HG1%) (( segid " " and resid 1868 and name H )) 2.100 0.600 0.600 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.97835E-02 ppm1 0.944 ppm2 8.458 CV 1 ASSI { 1688} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1931 and name H )) 4.400 2.400 1.600 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.71361E-03 ppm1 0.950 ppm2 8.585 CV 1 ASSI { 1689} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1957 and name H )) 4.500 2.600 1.500 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.80353E-03 ppm1 0.947 ppm2 8.298 CV 1 ASSI { 1690} (( segid " " and resid 1896 and name HB2 )) (( segid " " and resid 1897 and name H )) 3.200 1.300 1.300 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.95350E-03 ppm1 1.366 ppm2 8.491 CV 1 ASSI { 1694} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1954 and name H )) 4.400 2.500 1.600 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.51273E-03 ppm1 0.951 ppm2 8.966 CV 1 ASSI { 1695} (( segid " " and resid 1929 and name HA )) (( segid " " and resid 1929 and name H )) 2.700 0.900 0.900 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.35891E-02 ppm1 4.121 ppm2 7.260 CV 1 ASSI { 1696} (( segid " " and resid 1927 and name HA )) ( segid " " and resid 1957 and name HG2%) 2.400 0.700 0.700 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.62366E-02 ppm1 3.919 ppm2 0.917 CV 1 ASSI { 1697} (( segid " " and resid 1927 and name HA )) (( segid " " and resid 1930 and name HB3 )) 3.100 1.200 1.200 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.21678E-02 ppm1 3.917 ppm2 1.406 CV 1 ASSI { 1698} (( segid " " and resid 1864 and name HA )) (( segid " " and resid 1888 and name HG3 )) 3.600 3.600 2.400 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.20149E-02 ppm1 3.918 ppm2 2.377 CV 1 ASSI { 1700} (( segid " " and resid 1927 and name HA )) (( segid " " and resid 1930 and name HB2 )) 2.600 0.800 0.800 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.28754E-02 ppm1 3.918 ppm2 1.939 CV 1 ASSI { 1701} (( segid " " and resid 1864 and name HA )) ( segid " " and resid 1864 and name HD1%) 3.200 1.300 1.300 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.31813E-02 ppm1 3.909 ppm2 0.719 CV 1 ASSI { 1702} (( segid " " and resid 1927 and name HA )) (( segid " " and resid 1927 and name HB2 )) 2.900 1.000 1.000 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 3.921 ppm2 2.833 CV 1 ASSI { 1703} (( segid " " and resid 1849 and name HB3 )) (( segid " " and resid 1849 and name HB2 )) 1.800 0.400 0.400 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.16164E-01 ppm1 3.923 ppm2 4.075 CV 1 ASSI { 1706} (( segid " " and resid 1927 and name HB2 )) ( segid " " and resid 1923 and name HD2%) 3.300 1.400 1.400 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.69263E-03 ppm1 2.836 ppm2 0.997 CV 1 ASSI { 1707} (( segid " " and resid 1927 and name HB2 )) ( segid " " and resid 1931 and name HG2%) 4.500 2.500 1.500 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.56969E-03 ppm1 2.840 ppm2 0.936 CV 1 ASSI { 1709} (( segid " " and resid 1927 and name HB2 )) (( segid " " and resid 1927 and name HB3 )) 2.200 0.600 0.600 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.41168E-02 ppm1 2.838 ppm2 2.235 CV 1 ASSI { 1712} (( segid " " and resid 1927 and name HB3 )) (( segid " " and resid 1927 and name HA )) 3.200 1.300 1.300 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.16401E-02 ppm1 2.236 ppm2 3.912 CV 1 ASSI { 1716} (( segid " " and resid 1849 and name HB2 )) (( segid " " and resid 1849 and name HA )) 2.700 0.900 0.900 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.39639E-02 ppm1 4.078 ppm2 4.726 CV 1 ASSI { 1722} (( segid " " and resid 1927 and name HA )) (( segid " " and resid 1928 and name H )) 3.600 1.600 1.600 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.78557E-03 ppm1 3.919 ppm2 8.486 CV 1 ASSI { 1723} (( segid " " and resid 1927 and name HA )) (( segid " " and resid 1930 and name H )) 3.100 1.200 1.200 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.15802E-02 ppm1 3.917 ppm2 7.951 CV 1 ASSI { 1724} (( segid " " and resid 1849 and name HB2 )) (( segid " " and resid 1851 and name H )) 3.400 1.400 1.400 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.12623E-02 ppm1 4.079 ppm2 8.215 CV 1 ASSI { 1725} (( segid " " and resid 1849 and name HB2 )) (( segid " " and resid 1849 and name H )) 2.900 1.000 1.000 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.18020E-02 ppm1 4.077 ppm2 8.620 CV 1 ASSI { 1726} (( segid " " and resid 1849 and name HB3 )) (( segid " " and resid 1850 and name H )) 3.300 1.400 1.400 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 3.923 ppm2 9.302 CV 1 ASSI { 1727} (( segid " " and resid 1849 and name HB2 )) (( segid " " and resid 1850 and name H )) 3.300 1.300 1.300 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.15292E-02 ppm1 4.079 ppm2 9.304 CV 1 ASSI { 1728} (( segid " " and resid 1849 and name HB3 )) (( segid " " and resid 1852 and name H )) 3.900 1.900 1.900 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.61167E-03 ppm1 3.924 ppm2 7.330 CV 1 ASSI { 1729} (( segid " " and resid 1849 and name HB2 )) (( segid " " and resid 1852 and name H )) 3.600 1.600 1.600 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.74657E-03 ppm1 4.074 ppm2 7.327 CV 1 ASSI { 1730} (( segid " " and resid 1926 and name HA2 )) ( segid " " and resid 1957 and name HG2%) 3.300 1.400 1.400 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.18710E-02 ppm1 3.568 ppm2 0.917 CV 1 ASSI { 1731} (( segid " " and resid 1926 and name HA2 )) ( segid " " and resid 1929 and name HB% ) 3.200 1.300 1.300 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.10045E-02 ppm1 3.567 ppm2 1.496 CV 1 ASSI { 1733} (( segid " " and resid 1926 and name HA2 )) (( segid " " and resid 1926 and name HA3 )) 2.100 0.500 0.500 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.63266E-02 ppm1 3.568 ppm2 3.936 CV 1 ASSI { 1734} (( segid " " and resid 1894 and name HA3 )) (( segid " " and resid 1894 and name HA2 )) 2.000 0.500 0.500 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.94777E-02 ppm1 3.908 ppm2 3.379 CV 1 ASSI { 1736} (( segid " " and resid 1926 and name HA3 )) ( segid " " and resid 1929 and name HB% ) 4.100 2.100 1.900 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.14122E-02 ppm1 3.936 ppm2 1.498 CV 1 ASSI { 1737} (( segid " " and resid 1926 and name HA3 )) (( segid " " and resid 1929 and name H )) 4.400 2.400 1.600 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.44376E-03 ppm1 3.941 ppm2 7.259 CV 1 ASSI { 1738} (( segid " " and resid 1926 and name HA2 )) (( segid " " and resid 1929 and name H )) 3.800 1.800 1.800 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.38679E-03 ppm1 3.566 ppm2 7.260 CV 1 ASSI { 1739} (( segid " " and resid 1926 and name HA2 )) (( segid " " and resid 1926 and name H )) 3.800 1.800 1.800 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.75861E-03 ppm1 3.567 ppm2 7.787 CV 1 ASSI { 1740} (( segid " " and resid 1926 and name HA3 )) (( segid " " and resid 1926 and name H )) 3.300 1.400 1.400 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.66264E-03 ppm1 3.941 ppm2 7.786 CV 1 ASSI { 1741} (( segid " " and resid 1926 and name HA3 )) (( segid " " and resid 1928 and name H )) 4.100 2.100 1.900 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.56969E-03 ppm1 3.919 ppm2 8.487 CV 1 ASSI { 1742} (( segid " " and resid 1926 and name HA3 )) (( segid " " and resid 1927 and name H )) 3.100 1.200 1.200 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.87253E-03 ppm1 3.938 ppm2 8.709 CV 1 ASSI { 1746} (( segid " " and resid 1925 and name HA )) (( segid " " and resid 1928 and name HB3 )) 2.800 1.000 1.000 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.25966E-02 ppm1 4.220 ppm2 3.885 CV 1 ASSI { 1747} (( segid " " and resid 1925 and name HA )) (( segid " " and resid 1925 and name HB3 )) 2.600 0.800 0.800 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.48184E-02 ppm1 4.220 ppm2 3.041 CV 1 OR { 1747} (( segid " " and resid 1925 and name HA )) (( segid " " and resid 1925 and name HB2 )) ASSI { 1748} (( segid " " and resid 1925 and name HB2 )) ( segid " " and resid 1835 and name HD1%) 4.500 2.500 1.500 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.38979E-03 ppm1 3.049 ppm2 0.113 CV 1 OR { 1748} (( segid " " and resid 1925 and name HB3 )) ( segid " " and resid 1835 and name HD1%) ASSI { 1749} (( segid " " and resid 1925 and name HA )) ( segid " " and resid 1831 and name HG2%) 4.100 2.100 1.900 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.47974E-03 ppm1 4.214 ppm2 0.598 CV 1 ASSI { 1750} (( segid " " and resid 1925 and name HA )) ( segid " " and resid 1835 and name HD1%) 2.900 1.100 1.100 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.20419E-02 ppm1 4.219 ppm2 0.105 CV 1 ASSI { 1751} (( segid " " and resid 1925 and name HB2 )) (( segid " " and resid 1925 and name H )) 2.800 1.000 1.000 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.25216E-02 ppm1 3.042 ppm2 7.589 CV 1 OR { 1751} (( segid " " and resid 1925 and name HB3 )) (( segid " " and resid 1925 and name H )) ASSI { 1752} (( segid " " and resid 1925 and name HB2 )) (( segid " " and resid 1925 and name HD2 )) 3.200 1.300 1.300 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 3.041 ppm2 6.947 CV 1 OR { 1752} (( segid " " and resid 1925 and name HB3 )) (( segid " " and resid 1925 and name HD2 )) ASSI { 1753} (( segid " " and resid 1925 and name HA )) (( segid " " and resid 1925 and name H )) 2.800 1.000 1.000 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.25066E-02 ppm1 4.220 ppm2 7.589 CV 1 ASSI { 1754} (( segid " " and resid 1925 and name HA )) (( segid " " and resid 1929 and name H )) 3.800 1.800 1.800 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.47375E-03 ppm1 4.225 ppm2 7.263 CV 1 ASSI { 1755} (( segid " " and resid 1925 and name HA )) (( segid " " and resid 1925 and name HD2 )) 4.400 2.500 1.600 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.43477E-03 ppm1 4.222 ppm2 6.945 CV 1 ASSI { 1756} (( segid " " and resid 1925 and name HB2 )) (( segid " " and resid 1926 and name H )) 3.800 1.800 1.800 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.49174E-03 ppm1 3.037 ppm2 7.781 CV 1 OR { 1756} (( segid " " and resid 1925 and name HB3 )) (( segid " " and resid 1926 and name H )) ASSI { 1757} (( segid " " and resid 1925 and name HA )) (( segid " " and resid 1926 and name H )) 4.000 2.000 2.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.41378E-03 ppm1 4.218 ppm2 7.783 CV 1 ASSI { 1758} (( segid " " and resid 1925 and name HA )) (( segid " " and resid 1928 and name H )) 3.300 1.400 1.400 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.11004E-02 ppm1 4.220 ppm2 8.487 CV 1 ASSI { 1759} (( segid " " and resid 1924 and name HA2 )) (( segid " " and resid 1927 and name H )) 3.600 3.600 2.400 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.55770E-03 ppm1 2.236 ppm2 8.706 CV 1 ASSI { 1760} (( segid " " and resid 1924 and name HA2 )) (( segid " " and resid 1928 and name H )) 3.800 1.800 1.800 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.37180E-03 ppm1 2.224 ppm2 8.475 CV 1 ASSI { 1764} (( segid " " and resid 1924 and name HA3 )) (( segid " " and resid 1923 and name H )) 5.500 3.700 0.500 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.19789E-03 ppm1 3.356 ppm2 8.161 CV 1 ASSI { 1767} (( segid " " and resid 1924 and name HA2 )) ( segid " " and resid 1893 and name HE% ) 3.400 1.400 1.400 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.68665E-03 ppm1 2.235 ppm2 6.638 CV 1 ASSI { 1768} (( segid " " and resid 1924 and name HA3 )) ( segid " " and resid 1893 and name HE% ) 3.900 1.900 1.900 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.71664E-03 ppm1 3.358 ppm2 6.644 CV 1 ASSI { 1769} (( segid " " and resid 1924 and name HA2 )) (( segid " " and resid 1921 and name HA )) 4.800 2.800 1.200 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.43477E-03 ppm1 2.239 ppm2 3.863 CV 1 ASSI { 1770} (( segid " " and resid 1924 and name HA3 )) (( segid " " and resid 1921 and name HA )) 3.700 1.700 1.700 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.35081E-03 ppm1 3.353 ppm2 3.859 CV 1 ASSI { 1771} (( segid " " and resid 1924 and name HA2 )) (( segid " " and resid 1924 and name HA3 )) 2.100 0.600 0.600 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.39608E-02 ppm1 2.233 ppm2 3.356 CV 1 ASSI { 1772} (( segid " " and resid 1924 and name HA2 )) (( segid " " and resid 1927 and name HB2 )) 3.500 3.500 2.500 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.82155E-03 ppm1 2.232 ppm2 2.840 CV 1 ASSI { 1773} (( segid " " and resid 1924 and name HA3 )) (( segid " " and resid 1927 and name HB2 )) 4.600 2.600 1.400 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.52772E-03 ppm1 3.363 ppm2 2.838 CV 1 ASSI { 1775} (( segid " " and resid 1924 and name HA2 )) (( segid " " and resid 1835 and name HG12)) 4.200 2.200 1.800 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.80656E-03 ppm1 2.238 ppm2 0.935 CV 1 ASSI { 1776} (( segid " " and resid 1924 and name HA2 )) ( segid " " and resid 1920 and name HG1%) 3.300 1.300 1.300 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.51572E-03 ppm1 2.232 ppm2 0.801 CV 1 ASSI { 1777} (( segid " " and resid 1924 and name HA2 )) ( segid " " and resid 1831 and name HG2%) 3.000 1.100 1.100 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.11933E-02 ppm1 2.235 ppm2 0.602 CV 1 ASSI { 1779} (( segid " " and resid 1924 and name HA3 )) (( segid " " and resid 1835 and name HG12)) 2.700 0.900 0.900 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.91154E-03 ppm1 3.362 ppm2 0.938 CV 1 ASSI { 1780} (( segid " " and resid 1924 and name HA3 )) ( segid " " and resid 1835 and name HG2%) 4.100 2.100 1.900 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.63566E-03 ppm1 3.356 ppm2 0.800 CV 1 ASSI { 1784} (( segid " " and resid 1923 and name HB2 )) ( segid " " and resid 1920 and name HG1%) 3.900 1.900 1.900 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.45276E-03 ppm1 2.404 ppm2 0.821 CV 1 ASSI { 1785} (( segid " " and resid 1923 and name HB2 )) (( segid " " and resid 1923 and name HG )) 3.000 1.100 1.100 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.10374E-02 ppm1 2.416 ppm2 1.662 CV 1 ASSI { 1786} (( segid " " and resid 1923 and name HB2 )) (( segid " " and resid 1923 and name HB3 )) 2.400 0.700 0.700 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.17601E-02 ppm1 2.415 ppm2 1.465 CV 1 ASSI { 1787} (( segid " " and resid 1919 and name HA )) (( segid " " and resid 1922 and name HG2 )) 2.300 0.700 0.700 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.55590E-02 ppm1 4.124 ppm2 2.442 CV 1 ASSI { 1789} (( segid " " and resid 1837 and name HA )) (( segid " " and resid 1837 and name HB2 )) 2.400 0.700 0.700 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.60147E-02 ppm1 4.125 ppm2 2.068 CV 1 ASSI { 1793} (( segid " " and resid 1923 and name HB2 )) (( segid " " and resid 1923 and name HA )) 3.400 1.400 1.400 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.89049E-03 ppm1 2.413 ppm2 4.085 CV 1 ASSI { 1794} (( segid " " and resid 1923 and name HB3 )) (( segid " " and resid 1923 and name HA )) 3.000 1.100 1.100 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.15112E-02 ppm1 1.463 ppm2 4.092 CV 1 ASSI { 1795} (( segid " " and resid 1923 and name HB3 )) ( segid " " and resid 1893 and name HE% ) 3.600 1.600 1.600 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.41078E-03 ppm1 1.479 ppm2 6.641 CV 1 ASSI { 1796} (( segid " " and resid 1923 and name HB2 )) ( segid " " and resid 1893 and name HE% ) 3.600 1.600 1.600 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.46475E-03 ppm1 2.407 ppm2 6.645 CV 1 ASSI { 1803} (( segid " " and resid 1926 and name HA3 )) ( segid " " and resid 1957 and name HG1%) 4.200 2.200 1.800 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.28485E-03 ppm1 3.941 ppm2 0.794 CV 1 ASSI { 1804} (( segid " " and resid 1926 and name HA2 )) ( segid " " and resid 1957 and name HG1%) 5.300 3.500 0.700 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.26386E-03 ppm1 3.571 ppm2 0.801 CV 1 ASSI { 1805} (( segid " " and resid 1926 and name HA2 )) (( segid " " and resid 1928 and name H )) 4.600 2.600 1.400 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.23387E-03 ppm1 3.558 ppm2 8.493 CV 1 ASSI { 1806} (( segid " " and resid 1960 and name HG3 )) (( segid " " and resid 1957 and name HA )) 3.700 1.800 1.800 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.52472E-03 ppm1 1.685 ppm2 3.453 CV 1 ASSI { 1807} (( segid " " and resid 1960 and name HG2 )) (( segid " " and resid 1957 and name HA )) 3.400 1.400 1.400 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.55470E-03 ppm1 1.620 ppm2 3.453 CV 1 ASSI { 1811} (( segid " " and resid 1917 and name HG2 )) (( segid " " and resid 1913 and name HA3 )) 3.500 3.500 2.500 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.36580E-03 ppm1 1.134 ppm2 4.062 CV 1 ASSI { 1812} (( segid " " and resid 1917 and name HG2 )) (( segid " " and resid 1914 and name HA )) 3.600 1.700 1.700 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.34182E-03 ppm1 1.136 ppm2 3.964 CV 1 ASSI { 1813} (( segid " " and resid 1917 and name HG2 )) (( segid " " and resid 1917 and name HB2 )) 3.300 1.300 1.300 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.17480E-02 ppm1 1.137 ppm2 1.856 CV 1 ASSI { 1814} (( segid " " and resid 1917 and name HG2 )) (( segid " " and resid 1917 and name HB3 )) 2.400 0.700 0.700 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.30853E-02 ppm1 1.138 ppm2 1.746 CV 1 ASSI { 1815} (( segid " " and resid 1917 and name HG2 )) (( segid " " and resid 1917 and name HG3 )) 1.900 0.400 0.400 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.77476E-02 ppm1 1.138 ppm2 1.599 CV 1 ASSI { 1816} (( segid " " and resid 1917 and name HG2 )) ( segid " " and resid 1904 and name HB% ) 3.000 1.100 1.100 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 1.138 ppm2 1.459 CV 1 ASSI { 1817} (( segid " " and resid 1920 and name HA )) (( segid " " and resid 1923 and name HB2 )) 2.900 1.000 1.000 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 3.609 ppm2 2.408 CV 1 ASSI { 1818} (( segid " " and resid 1920 and name HA )) (( segid " " and resid 1920 and name HB )) 3.200 1.300 1.300 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.13403E-02 ppm1 3.610 ppm2 2.266 CV 1 ASSI { 1821} (( segid " " and resid 1872 and name HB )) (( segid " " and resid 1869 and name HA )) 3.300 3.300 2.700 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.22128E-02 ppm1 2.266 ppm2 3.991 CV 1 ASSI { 1822} (( segid " " and resid 1920 and name HA )) (( segid " " and resid 1923 and name HA )) 4.600 2.600 1.400 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.44676E-03 ppm1 3.608 ppm2 4.092 CV 1 ASSI { 1824} (( segid " " and resid 1920 and name HA )) (( segid " " and resid 1923 and name HG )) 3.900 1.900 1.900 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.53971E-03 ppm1 3.609 ppm2 1.660 CV 1 ASSI { 1825} (( segid " " and resid 1920 and name HA )) (( segid " " and resid 1923 and name HB3 )) 3.800 1.800 1.800 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.11933E-02 ppm1 3.610 ppm2 1.463 CV 1 ASSI { 1826} (( segid " " and resid 1920 and name HB )) ( segid " " and resid 1900 and name HB% ) 3.500 1.500 1.500 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.10555E-02 ppm1 2.263 ppm2 1.387 CV 1 ASSI { 1827} (( segid " " and resid 1920 and name HA )) ( segid " " and resid 1920 and name HG2%) 2.400 0.700 0.700 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.64976E-02 ppm1 3.608 ppm2 0.983 CV 1 ASSI { 1830} (( segid " " and resid 1872 and name HB )) ( segid " " and resid 1872 and name HG2%) 2.300 0.600 0.600 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.72172E-02 ppm1 2.267 ppm2 0.835 CV 1 ASSI { 1831} ( segid " " and resid 1920 and name HG1%) ( segid " " and resid 1834 and name HB% ) 3.000 1.100 1.100 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.91450E-03 ppm1 0.806 ppm2 1.583 CV 1 ASSI { 1832} ( segid " " and resid 1838 and name HD2%) (( segid " " and resid 1838 and name HG )) 2.100 0.500 0.500 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.10974E-01 ppm1 0.946 ppm2 1.871 CV 1 ASSI { 1834} ( segid " " and resid 1937 and name HD2%) (( segid " " and resid 1937 and name HG )) 2.100 0.500 0.500 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.91392E-02 ppm1 0.966 ppm2 1.635 CV 1 ASSI { 1835} ( segid " " and resid 1920 and name HG2%) ( segid " " and resid 1900 and name HB% ) 2.000 0.500 0.500 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.14437E-01 ppm1 0.969 ppm2 1.387 CV 1 ASSI { 1836} ( segid " " and resid 1920 and name HG1%) (( segid " " and resid 1920 and name HA )) 2.500 0.800 0.800 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.46055E-02 ppm1 0.805 ppm2 3.606 CV 1 ASSI { 1837} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1897 and name HA )) 2.900 1.100 1.100 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.24227E-02 ppm1 0.972 ppm2 3.678 CV 1 ASSI { 1840} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1921 and name HG2 )) 2.500 0.800 0.800 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.35351E-02 ppm1 0.978 ppm2 2.744 CV 1 ASSI { 1842} ( segid " " and resid 1920 and name HG1%) (( segid " " and resid 1920 and name HB )) 2.300 0.700 0.700 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.56819E-02 ppm1 0.805 ppm2 2.261 CV 1 ASSI { 1843} ( segid " " and resid 1920 and name HG2%) (( segid " " and resid 1920 and name HB )) 2.200 0.600 0.600 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.79909E-02 ppm1 0.971 ppm2 2.261 CV 1 ASSI { 1844} ( segid " " and resid 1920 and name HG1%) (( segid " " and resid 1921 and name HA )) 3.000 1.100 1.100 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.17601E-02 ppm1 0.810 ppm2 3.857 CV 1 ASSI { 1848} (( segid " " and resid 1920 and name HA )) ( segid " " and resid 1893 and name HE% ) 3.700 1.700 1.700 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.55470E-03 ppm1 3.607 ppm2 6.642 CV 1 ASSI { 1849} ( segid " " and resid 1920 and name HG1%) ( segid " " and resid 1893 and name HE% ) 2.700 0.900 0.900 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.27105E-02 ppm1 0.805 ppm2 6.644 CV 1 ASSI { 1850} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1838 and name H )) 3.800 1.800 1.800 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 0.979 ppm2 7.396 CV 1 ASSI { 1852} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1921 and name HE21)) 2.600 0.900 0.900 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.19190E-02 ppm1 0.983 ppm2 7.268 CV 1 ASSI { 1857} (( segid " " and resid 1872 and name HB )) (( segid " " and resid 1871 and name H )) 4.400 2.400 1.600 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.59968E-03 ppm1 2.268 ppm2 8.459 CV 1 ASSI { 1860} (( segid " " and resid 1920 and name HA )) (( segid " " and resid 1923 and name H )) 3.200 1.300 1.300 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 3.611 ppm2 8.163 CV 1 ASSI { 1863} ( segid " " and resid 1920 and name HG1%) (( segid " " and resid 1921 and name H )) 3.400 1.500 1.500 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.11124E-02 ppm1 0.807 ppm2 9.017 CV 1 ASSI { 1864} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1921 and name H )) 3.500 1.500 1.500 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.14332E-02 ppm1 0.977 ppm2 9.022 CV 1 ASSI { 1866} ( segid " " and resid 1920 and name HG2%) (( segid " " and resid 1920 and name H )) 2.300 0.700 0.700 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.64105E-02 ppm1 0.971 ppm2 8.534 CV 1 ASSI { 1867} (( segid " " and resid 1915 and name HB3 )) ( segid " " and resid 1912 and name HG2%) 4.000 2.000 2.000 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.50973E-03 ppm1 3.272 ppm2 0.845 CV 1 ASSI { 1868} (( segid " " and resid 1915 and name HB2 )) ( segid " " and resid 1912 and name HG2%) 4.100 2.100 1.900 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.54271E-03 ppm1 3.349 ppm2 0.839 CV 1 ASSI { 1869} (( segid " " and resid 1915 and name HB3 )) ( segid " " and resid 1912 and name HD1%) 4.400 2.400 1.600 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.52772E-03 ppm1 3.276 ppm2 0.770 CV 1 ASSI { 1870} (( segid " " and resid 1915 and name HB2 )) ( segid " " and resid 1912 and name HD1%) 4.300 2.300 1.700 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.42577E-03 ppm1 3.350 ppm2 0.758 CV 1 ASSI { 1871} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1916 and name HG13)) 5.200 3.400 0.800 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.18890E-03 ppm1 3.354 ppm2 0.690 CV 1 OR { 1871} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1916 and name HG12)) ASSI { 1872} (( segid " " and resid 1915 and name HB3 )) (( segid " " and resid 1916 and name HG13)) 4.200 2.300 1.800 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.20989E-03 ppm1 3.272 ppm2 0.686 CV 1 OR { 1872} (( segid " " and resid 1915 and name HB3 )) (( segid " " and resid 1916 and name HG12)) ASSI { 1873} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1912 and name HG12)) 4.700 2.800 1.300 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.25187E-03 ppm1 3.346 ppm2 1.138 CV 1 ASSI { 1874} (( segid " " and resid 1918 and name HB2 )) (( segid " " and resid 1917 and name HG2 )) 4.700 2.800 1.300 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.33582E-03 ppm1 3.278 ppm2 1.141 CV 1 ASSI { 1875} (( segid " " and resid 1915 and name HB2 )) ( segid " " and resid 1916 and name HD1%) 5.100 3.300 0.900 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.26986E-03 ppm1 3.357 ppm2 0.994 CV 1 ASSI { 1876} (( segid " " and resid 1915 and name HB3 )) ( segid " " and resid 1916 and name HD1%) 4.300 2.400 1.700 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.50673E-03 ppm1 3.280 ppm2 0.977 CV 1 ASSI { 1880} (( segid " " and resid 1915 and name HA )) ( segid " " and resid 1914 and name HB% ) 3.300 1.300 1.300 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.17120E-02 ppm1 4.595 ppm2 1.407 CV 1 ASSI { 1883} (( segid " " and resid 1918 and name HA )) (( segid " " and resid 1917 and name HB2 )) 3.600 1.600 1.600 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.54871E-03 ppm1 4.602 ppm2 1.853 CV 1 ASSI { 1884} (( segid " " and resid 1915 and name HA )) (( segid " " and resid 1919 and name HB2 )) 4.100 2.100 1.900 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.64468E-03 ppm1 4.601 ppm2 1.766 CV 1 ASSI { 1885} (( segid " " and resid 1915 and name HA )) (( segid " " and resid 1919 and name HG2 )) 3.000 1.200 1.200 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 4.594 ppm2 2.023 CV 1 ASSI { 1886} (( segid " " and resid 1918 and name HB3 )) (( segid " " and resid 1921 and name HB2 )) 4.300 2.300 1.700 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.31183E-03 ppm1 3.295 ppm2 2.569 CV 1 ASSI { 1887} (( segid " " and resid 1918 and name HA )) (( segid " " and resid 1921 and name HB2 )) 3.000 1.100 1.100 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.22728E-02 ppm1 4.604 ppm2 2.568 CV 1 ASSI { 1888} (( segid " " and resid 1918 and name HA )) (( segid " " and resid 1921 and name HG2 )) 3.900 1.900 1.900 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.74959E-03 ppm1 4.602 ppm2 2.740 CV 1 ASSI { 1890} (( segid " " and resid 1915 and name HA )) (( segid " " and resid 1912 and name HA )) 4.600 2.700 1.400 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.47075E-03 ppm1 4.602 ppm2 3.806 CV 1 ASSI { 1891} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1912 and name HA )) 2.800 1.000 1.000 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.17391E-02 ppm1 3.350 ppm2 3.804 CV 1 ASSI { 1892} (( segid " " and resid 1915 and name HB3 )) (( segid " " and resid 1912 and name HA )) 3.300 1.300 1.300 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.16641E-02 ppm1 3.274 ppm2 3.804 CV 1 ASSI { 1893} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1915 and name HA )) 2.800 1.000 1.000 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.26476E-02 ppm1 3.348 ppm2 4.590 CV 1 ASSI { 1895} (( segid " " and resid 1918 and name HB2 )) (( segid " " and resid 1914 and name HA )) 3.800 1.900 1.900 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.46775E-03 ppm1 3.277 ppm2 3.964 CV 1 ASSI { 1896} (( segid " " and resid 1918 and name HB2 )) (( segid " " and resid 1919 and name HA )) 3.700 1.700 1.700 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.57869E-03 ppm1 3.276 ppm2 4.115 CV 1 OR { 1896} (( segid " " and resid 1918 and name HB3 )) (( segid " " and resid 1919 and name HA )) ASSI { 1897} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1967 and name HA )) 5.100 3.300 0.900 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.26386E-03 ppm1 3.344 ppm2 4.212 CV 1 ASSI { 1898} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1915 and name HD2 )) 3.300 1.400 1.400 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.86352E-03 ppm1 3.350 ppm2 7.024 CV 1 ASSI { 1900} (( segid " " and resid 1918 and name HA )) (( segid " " and resid 1918 and name HD2 )) 2.900 1.000 1.000 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.28095E-02 ppm1 4.598 ppm2 7.040 CV 1 ASSI { 1901} (( segid " " and resid 1915 and name HA )) (( segid " " and resid 1916 and name H )) 3.300 1.300 1.300 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 4.594 ppm2 8.064 CV 1 ASSI { 1902} (( segid " " and resid 1915 and name HA )) (( segid " " and resid 1915 and name H )) 2.700 0.900 0.900 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.34721E-02 ppm1 4.593 ppm2 7.971 CV 1 ASSI { 1903} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1916 and name H )) 3.500 1.500 1.500 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 3.349 ppm2 8.068 CV 1 ASSI { 1904} (( segid " " and resid 1915 and name HB3 )) (( segid " " and resid 1916 and name H )) 2.900 1.100 1.100 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.16191E-02 ppm1 3.272 ppm2 8.068 CV 1 ASSI { 1905} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1915 and name H )) 2.400 0.700 0.700 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.37300E-02 ppm1 3.350 ppm2 7.972 CV 1 ASSI { 1906} (( segid " " and resid 1915 and name HB3 )) (( segid " " and resid 1915 and name H )) 3.100 1.200 1.200 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.35891E-02 ppm1 3.273 ppm2 7.971 CV 1 ASSI { 1907} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1914 and name H )) 5.000 3.100 1.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.35081E-03 ppm1 3.347 ppm2 8.220 CV 1 ASSI { 1908} (( segid " " and resid 1918 and name HB2 )) (( segid " " and resid 1918 and name H )) 2.300 0.600 0.600 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.62456E-02 ppm1 3.280 ppm2 8.669 CV 1 ASSI { 1910} (( segid " " and resid 1915 and name HA )) (( segid " " and resid 1914 and name H )) 4.700 2.800 1.300 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.44076E-03 ppm1 4.590 ppm2 8.215 CV 1 ASSI { 1911} (( segid " " and resid 1918 and name HA )) (( segid " " and resid 1918 and name H )) 2.600 0.800 0.800 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.45216E-02 ppm1 4.601 ppm2 8.670 CV 1 ASSI { 1912} (( segid " " and resid 1918 and name HB3 )) (( segid " " and resid 1921 and name H )) 4.900 3.000 1.100 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.18290E-03 ppm1 3.281 ppm2 9.007 CV 1 ASSI { 1913} (( segid " " and resid 1918 and name HA )) (( segid " " and resid 1921 and name H )) 3.500 1.500 1.500 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.10374E-02 ppm1 4.602 ppm2 9.022 CV 1 ASSI { 1914} (( segid " " and resid 1917 and name HA )) (( segid " " and resid 1921 and name H )) 4.000 2.000 2.000 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.47674E-03 ppm1 3.612 ppm2 9.019 CV 1 ASSI { 1916} (( segid " " and resid 1917 and name HA )) (( segid " " and resid 1920 and name H )) 3.300 1.400 1.400 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.10195E-02 ppm1 3.611 ppm2 8.532 CV 1 ASSI { 1917} (( segid " " and resid 1917 and name HA )) (( segid " " and resid 1916 and name H )) 4.900 3.000 1.100 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.25486E-03 ppm1 3.612 ppm2 8.070 CV 1 ASSI { 1918} (( segid " " and resid 1917 and name HA )) (( segid " " and resid 1917 and name H )) 2.700 0.900 0.900 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.24407E-02 ppm1 3.613 ppm2 7.890 CV 1 ASSI { 1920} (( segid " " and resid 1917 and name HB3 )) (( segid " " and resid 1917 and name H )) 2.700 0.900 0.900 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.22128E-02 ppm1 1.761 ppm2 7.892 CV 1 ASSI { 1922} (( segid " " and resid 1917 and name HB2 )) (( segid " " and resid 1917 and name H )) 3.200 1.300 1.300 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.27645E-02 ppm1 1.862 ppm2 7.890 CV 1 ASSI { 1923} (( segid " " and resid 1917 and name HB3 )) (( segid " " and resid 1917 and name HA )) 2.700 0.900 0.900 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.22458E-02 ppm1 1.760 ppm2 3.607 CV 1 ASSI { 1924} (( segid " " and resid 1917 and name HB2 )) (( segid " " and resid 1917 and name HA )) 2.600 0.900 0.900 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.31513E-02 ppm1 1.860 ppm2 3.617 CV 1 ASSI { 1927} (( segid " " and resid 1917 and name HA )) (( segid " " and resid 1917 and name HE3 )) 5.800 4.200 0.200 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.17990E-03 ppm1 3.608 ppm2 2.852 CV 1 ASSI { 1928} (( segid " " and resid 1917 and name HB3 )) (( segid " " and resid 1917 and name HE3 )) 3.600 1.700 1.700 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.78255E-03 ppm1 1.761 ppm2 2.863 CV 1 ASSI { 1929} (( segid " " and resid 1917 and name HB3 )) (( segid " " and resid 1917 and name HE2 )) 3.300 1.400 1.400 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.68066E-03 ppm1 1.768 ppm2 2.760 CV 1 ASSI { 1930} (( segid " " and resid 1917 and name HB2 )) (( segid " " and resid 1917 and name HE3 )) 3.600 1.600 1.600 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.12204E-02 ppm1 1.858 ppm2 2.862 CV 1 ASSI { 1931} (( segid " " and resid 1917 and name HB2 )) (( segid " " and resid 1917 and name HE2 )) 3.200 1.300 1.300 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.79156E-03 ppm1 1.857 ppm2 2.763 CV 1 ASSI { 1932} (( segid " " and resid 1917 and name HA )) (( segid " " and resid 1920 and name HB )) 2.800 1.000 1.000 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.21528E-02 ppm1 3.611 ppm2 2.266 CV 1 ASSI { 1933} (( segid " " and resid 1917 and name HA )) (( segid " " and resid 1916 and name HB )) 3.900 1.900 1.900 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.59068E-03 ppm1 3.613 ppm2 2.035 CV 1 ASSI { 1936} (( segid " " and resid 1917 and name HA )) (( segid " " and resid 1917 and name HG3 )) 3.400 1.400 1.400 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.15621E-02 ppm1 3.613 ppm2 1.599 CV 1 ASSI { 1937} (( segid " " and resid 1917 and name HA )) ( segid " " and resid 1904 and name HB% ) 4.000 2.000 2.000 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.70763E-03 ppm1 3.614 ppm2 1.458 CV 1 ASSI { 1938} (( segid " " and resid 1917 and name HA )) ( segid " " and resid 1900 and name HB% ) 2.900 1.000 1.000 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.16641E-02 ppm1 3.613 ppm2 1.388 CV 1 ASSI { 1940} (( segid " " and resid 1917 and name HB3 )) (( segid " " and resid 1917 and name HG3 )) 3.000 1.100 1.100 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.31903E-02 ppm1 1.762 ppm2 1.598 CV 1 ASSI { 1941} (( segid " " and resid 1917 and name HB3 )) ( segid " " and resid 1904 and name HB% ) 3.000 1.200 1.200 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.13253E-02 ppm1 1.762 ppm2 1.448 CV 1 ASSI { 1942} (( segid " " and resid 1917 and name HB3 )) (( segid " " and resid 1916 and name HB )) 4.300 2.300 1.700 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.32982E-03 ppm1 1.763 ppm2 2.031 CV 1 ASSI { 1943} (( segid " " and resid 1917 and name HB2 )) (( segid " " and resid 1917 and name HB3 )) 1.800 0.400 0.400 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.11652E-01 ppm1 1.861 ppm2 1.761 CV 1 ASSI { 1944} (( segid " " and resid 1947 and name HB2 )) (( segid " " and resid 1947 and name HG2 )) 2.800 1.000 1.000 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.39039E-02 ppm1 1.845 ppm2 1.361 CV 1 ASSI { 1945} (( segid " " and resid 1917 and name HA )) (( segid " " and resid 1917 and name HG2 )) 3.300 1.300 1.300 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.20629E-02 ppm1 3.613 ppm2 1.137 CV 1 ASSI { 1949} (( segid " " and resid 1917 and name HB3 )) ( segid " " and resid 1920 and name HG2%) 4.000 2.000 2.000 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 1.767 ppm2 0.956 CV 1 ASSI { 1952} (( segid " " and resid 1917 and name HD2 )) (( segid " " and resid 1917 and name HG2 )) 2.700 0.900 0.900 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.23777E-02 ppm1 1.648 ppm2 1.139 CV 1 ASSI { 1953} (( segid " " and resid 1917 and name HE3 )) (( segid " " and resid 1917 and name HG2 )) 3.300 1.300 1.300 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.98047E-03 ppm1 2.876 ppm2 1.144 CV 1 ASSI { 1954} (( segid " " and resid 1917 and name HE2 )) (( segid " " and resid 1917 and name HG2 )) 3.300 1.400 1.400 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.12233E-02 ppm1 2.759 ppm2 1.135 CV 1 ASSI { 1955} (( segid " " and resid 1917 and name HE2 )) ( segid " " and resid 1904 and name HB% ) 3.000 1.100 1.100 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.22728E-02 ppm1 2.760 ppm2 1.452 CV 1 ASSI { 1957} (( segid " " and resid 1917 and name HE2 )) (( segid " " and resid 1917 and name HD2 )) 2.900 1.000 1.000 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.31723E-02 ppm1 2.760 ppm2 1.636 CV 1 ASSI { 1958} (( segid " " and resid 1862 and name HD2 )) (( segid " " and resid 1862 and name HB2 )) 2.400 2.400 3.600 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.42247E-02 ppm1 1.569 ppm2 1.833 CV 1 ASSI { 1959} (( segid " " and resid 1862 and name HD3 )) (( segid " " and resid 1862 and name HG3 )) 2.500 0.800 0.800 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.47194E-02 ppm1 1.565 ppm2 1.727 CV 1 OR { 1959} (( segid " " and resid 1862 and name HD2 )) (( segid " " and resid 1862 and name HG3 )) ASSI { 1960} (( segid " " and resid 1933 and name HE3 )) (( segid " " and resid 1933 and name HG3 )) 2.900 1.000 1.000 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.20089E-02 ppm1 2.875 ppm2 1.452 CV 1 OR { 1960} (( segid " " and resid 1933 and name HE2 )) (( segid " " and resid 1933 and name HG3 )) ASSI { 1961} (( segid " " and resid 1948 and name HD3 )) (( segid " " and resid 1948 and name HB2 )) 2.500 0.800 0.800 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.64494E-02 ppm1 1.614 ppm2 1.901 CV 1 OR { 1961} (( segid " " and resid 1948 and name HD3 )) (( segid " " and resid 1948 and name HB3 )) OR { 1961} (( segid " " and resid 1948 and name HD2 )) (( segid " " and resid 1948 and name HB3 )) OR { 1961} (( segid " " and resid 1948 and name HD2 )) (( segid " " and resid 1948 and name HB2 )) ASSI { 1962} (( segid " " and resid 1917 and name HE2 )) (( segid " " and resid 1917 and name HE3 )) 1.600 0.300 0.600 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.24011E-01 ppm1 2.764 ppm2 2.863 CV 1 ASSI { 1963} (( segid " " and resid 1917 and name HE2 )) (( segid " " and resid 1901 and name HA )) 3.600 3.600 2.400 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.56969E-03 ppm1 2.752 ppm2 4.058 CV 1 ASSI { 1964} (( segid " " and resid 1917 and name HE2 )) (( segid " " and resid 1914 and name HA )) 3.600 1.600 1.600 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.13043E-02 ppm1 2.758 ppm2 3.965 CV 1 ASSI { 1965} (( segid " " and resid 1917 and name HE2 )) (( segid " " and resid 1917 and name H )) 4.600 2.700 1.400 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.36580E-03 ppm1 2.759 ppm2 7.891 CV 1 ASSI { 1966} (( segid " " and resid 1917 and name HE3 )) (( segid " " and resid 1917 and name H )) 4.400 2.500 1.600 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.52472E-03 ppm1 2.883 ppm2 7.896 CV 1 ASSI { 1967} (( segid " " and resid 1917 and name HG2 )) (( segid " " and resid 1917 and name H )) 2.900 1.100 1.100 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.10015E-02 ppm1 1.135 ppm2 7.890 CV 1 ASSI { 1968} (( segid " " and resid 1917 and name HG2 )) (( segid " " and resid 1918 and name H )) 4.300 2.300 1.700 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.31783E-03 ppm1 1.143 ppm2 8.672 CV 1 ASSI { 1970} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1920 and name H )) 3.700 1.700 1.700 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.75558E-03 ppm1 0.767 ppm2 8.530 CV 1 ASSI { 1973} (( segid " " and resid 1916 and name HA )) (( segid " " and resid 1917 and name H )) 3.500 1.500 1.500 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.83353E-03 ppm1 3.359 ppm2 7.893 CV 1 ASSI { 1974} (( segid " " and resid 1916 and name HA )) (( segid " " and resid 1916 and name H )) 2.800 1.000 1.000 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.22098E-02 ppm1 3.361 ppm2 8.068 CV 1 ASSI { 1975} (( segid " " and resid 1916 and name HA )) (( segid " " and resid 1919 and name H )) 3.500 1.600 1.600 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.59368E-03 ppm1 3.361 ppm2 8.620 CV 1 ASSI { 1976} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1916 and name H )) 3.400 1.500 1.500 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.28275E-02 ppm1 0.991 ppm2 8.071 CV 1 ASSI { 1978} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1917 and name H )) 2.800 2.800 3.200 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 0.990 ppm2 7.891 CV 1 ASSI { 1979} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1904 and name H )) 3.700 1.700 1.700 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.75262E-03 ppm1 0.992 ppm2 7.801 CV 1 ASSI { 1983} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1916 and name H )) 3.600 1.600 1.600 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.24466E-02 ppm1 0.768 ppm2 8.069 CV 1 ASSI { 1984} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1917 and name H )) 3.000 1.100 1.100 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.26596E-02 ppm1 0.767 ppm2 7.891 CV 1 ASSI { 1985} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1904 and name H )) 3.500 1.500 1.500 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.11304E-02 ppm1 0.767 ppm2 7.806 CV 1 ASSI { 1986} ( segid " " and resid 1916 and name HD1%) ( segid " " and resid 1850 and name HE% ) 2.200 0.600 0.600 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.64285E-02 ppm1 0.991 ppm2 7.170 CV 1 ASSI { 1987} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1850 and name HZ )) 4.900 3.000 1.100 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.63566E-03 ppm1 0.772 ppm2 7.211 CV 1 ASSI { 1988} ( segid " " and resid 1916 and name HG2%) ( segid " " and resid 1850 and name HE% ) 5.200 3.400 0.800 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.86056E-03 ppm1 0.767 ppm2 7.159 CV 1 ASSI { 1990} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1913 and name HA3 )) 4.100 2.100 1.900 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.15442E-02 ppm1 0.994 ppm2 4.078 CV 1 ASSI { 1991} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1904 and name HA )) 2.900 1.100 1.100 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.20059E-02 ppm1 0.990 ppm2 3.898 CV 1 ASSI { 1992} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1913 and name HA2 )) 2.600 0.800 0.800 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.22578E-02 ppm1 0.990 ppm2 3.587 CV 1 ASSI { 1993} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1916 and name HA )) 3.600 1.700 1.700 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.23177E-02 ppm1 0.992 ppm2 3.359 CV 1 ASSI { 1995} (( segid " " and resid 1916 and name HB )) (( segid " " and resid 1904 and name HA )) 3.900 1.900 1.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.38679E-03 ppm1 2.033 ppm2 3.900 CV 1 ASSI { 1998} (( segid " " and resid 1916 and name HA )) (( segid " " and resid 1917 and name HA )) 4.200 2.200 1.800 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.30584E-03 ppm1 3.361 ppm2 3.611 CV 1 ASSI { 2000} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1968 and name HA )) 4.100 2.100 1.900 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.91752E-03 ppm1 0.766 ppm2 4.167 CV 1 ASSI { 2001} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1900 and name HA )) 2.800 1.000 1.000 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 0.768 ppm2 3.868 CV 1 ASSI { 2002} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1916 and name HA )) 2.400 0.700 0.700 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.52472E-02 ppm1 0.768 ppm2 3.357 CV 1 ASSI { 2003} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1917 and name HA )) 2.800 1.000 1.000 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.24976E-02 ppm1 0.768 ppm2 3.602 CV 1 ASSI { 2004} (( segid " " and resid 1916 and name HA )) (( segid " " and resid 1919 and name HB2 )) 3.400 1.400 1.400 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.61167E-03 ppm1 3.358 ppm2 1.780 CV 1 ASSI { 2005} (( segid " " and resid 1916 and name HA )) (( segid " " and resid 1916 and name HB )) 2.600 0.900 0.900 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.39729E-02 ppm1 3.360 ppm2 2.042 CV 1 ASSI { 2007} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1916 and name HB )) 2.100 0.600 0.600 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.10716E-01 ppm1 0.991 ppm2 2.044 CV 1 ASSI { 2008} ( segid " " and resid 1916 and name HD1%) ( segid " " and resid 1857 and name HE% ) 4.100 2.100 1.900 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.11244E-02 ppm1 0.991 ppm2 1.786 CV 1 ASSI { 2009} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1912 and name HB )) 4.100 2.100 1.900 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.60268E-03 ppm1 0.993 ppm2 1.651 CV 1 ASSI { 2010} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1912 and name HG13)) 4.500 2.600 1.500 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.58469E-03 ppm1 0.993 ppm2 1.594 CV 1 ASSI { 2011} (( segid " " and resid 1916 and name HG13)) (( segid " " and resid 1916 and name HB )) 2.600 0.800 0.800 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.36281E-02 ppm1 0.687 ppm2 2.047 CV 1 OR { 2011} (( segid " " and resid 1916 and name HG12)) (( segid " " and resid 1916 and name HB )) ASSI { 2012} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1916 and name HB )) 2.100 0.600 0.600 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.10360E-01 ppm1 0.768 ppm2 2.040 CV 1 ASSI { 2013} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1857 and name HB3 )) 3.900 1.900 1.900 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.14782E-02 ppm1 0.768 ppm2 1.876 CV 1 ASSI { 2015} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1920 and name HB )) 3.800 1.800 1.800 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.83353E-03 ppm1 0.770 ppm2 2.266 CV 1 ASSI { 2017} (( segid " " and resid 1916 and name HB )) ( segid " " and resid 1904 and name HB% ) 3.500 1.500 1.500 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.75861E-03 ppm1 2.047 ppm2 1.451 CV 1 ASSI { 2023} (( segid " " and resid 1916 and name HA )) (( segid " " and resid 1916 and name HG12)) 2.800 1.000 1.000 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.23148E-02 ppm1 3.359 ppm2 0.687 CV 1 OR { 2023} (( segid " " and resid 1916 and name HA )) (( segid " " and resid 1916 and name HG13)) ASSI { 2024} ( segid " " and resid 1916 and name HD1%) ( segid " " and resid 1912 and name HG2%) 2.500 0.800 0.800 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.64706E-02 ppm1 0.992 ppm2 0.834 CV 1 ASSI { 2025} ( segid " " and resid 1916 and name HD1%) ( segid " " and resid 1916 and name HG2%) 2.100 0.500 0.500 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.11873E-01 ppm1 0.991 ppm2 0.766 CV 1 ASSI { 2026} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1916 and name HG12)) 2.300 0.600 0.600 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.61917E-02 ppm1 0.991 ppm2 0.689 CV 1 OR { 2026} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1916 and name HG13)) ASSI { 2034} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1916 and name HG12)) 2.800 0.900 0.900 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.29234E-02 ppm1 0.765 ppm2 0.679 CV 1 OR { 2034} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1916 and name HG13)) ASSI { 2036} (( segid " " and resid 1904 and name HA )) ( segid " " and resid 1907 and name HB% ) 2.800 0.900 0.900 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.33372E-02 ppm1 3.904 ppm2 1.136 CV 1 ASSI { 2037} (( segid " " and resid 1904 and name HA )) ( segid " " and resid 1904 and name HB% ) 2.200 0.600 0.600 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.97210E-02 ppm1 3.903 ppm2 1.456 CV 1 ASSI { 2038} (( segid " " and resid 1914 and name HA )) (( segid " " and resid 1917 and name HB3 )) 3.500 1.600 1.600 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.21228E-02 ppm1 3.965 ppm2 1.761 CV 1 ASSI { 2039} ( segid " " and resid 1914 and name HB% ) (( segid " " and resid 1910 and name HG2 )) 4.000 2.000 2.000 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.47075E-03 ppm1 1.410 ppm2 2.313 CV 1 ASSI { 2040} ( segid " " and resid 1914 and name HB% ) (( segid " " and resid 1910 and name HG3 )) 3.500 1.500 1.500 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.79459E-03 ppm1 1.408 ppm2 2.274 CV 1 ASSI { 2041} ( segid " " and resid 1914 and name HB% ) (( segid " " and resid 1911 and name HG3 )) 3.100 1.200 1.200 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.69263E-03 ppm1 1.406 ppm2 2.187 CV 1 ASSI { 2042} ( segid " " and resid 1967 and name HB% ) (( segid " " and resid 1919 and name HG2 )) 3.100 1.200 1.200 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.34332E-02 ppm1 1.407 ppm2 2.026 CV 1 ASSI { 2043} (( segid " " and resid 1914 and name HA )) (( segid " " and resid 1917 and name HE3 )) 3.500 3.500 2.500 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.92351E-03 ppm1 3.967 ppm2 2.870 CV 1 ASSI { 2045} ( segid " " and resid 1914 and name HB% ) (( segid " " and resid 1917 and name HE2 )) 4.800 2.900 1.200 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.34781E-03 ppm1 1.403 ppm2 2.751 CV 1 ASSI { 2046} ( segid " " and resid 1914 and name HB% ) (( segid " " and resid 1917 and name HE3 )) 4.500 2.500 1.500 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.37480E-03 ppm1 1.402 ppm2 2.863 CV 1 ASSI { 2049} ( segid " " and resid 1914 and name HB% ) (( segid " " and resid 1914 and name HA )) 2.100 0.500 0.500 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.16581E-01 ppm1 1.412 ppm2 3.974 CV 1 ASSI { 2051} (( segid " " and resid 1914 and name HA )) (( segid " " and resid 1915 and name HA )) 4.500 2.500 1.500 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.25786E-03 ppm1 3.965 ppm2 4.587 CV 1 ASSI { 2052} (( segid " " and resid 1914 and name HA )) (( segid " " and resid 1916 and name H )) 3.700 1.700 1.700 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.57569E-03 ppm1 3.962 ppm2 8.075 CV 1 ASSI { 2054} (( segid " " and resid 1914 and name HA )) (( segid " " and resid 1917 and name H )) 3.400 1.400 1.400 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.13103E-02 ppm1 3.964 ppm2 7.894 CV 1 ASSI { 2055} ( segid " " and resid 1914 and name HB% ) (( segid " " and resid 1914 and name H )) 2.200 0.600 0.600 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.12296E-01 ppm1 1.412 ppm2 8.217 CV 1 ASSI { 2056} ( segid " " and resid 1967 and name HB% ) (( segid " " and resid 1916 and name H )) 3.300 1.400 1.400 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.14212E-02 ppm1 1.412 ppm2 8.081 CV 1 ASSI { 2057} ( segid " " and resid 1914 and name HB% ) (( segid " " and resid 1915 and name H )) 2.500 0.800 0.800 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.54960E-02 ppm1 1.412 ppm2 7.971 CV 1 ASSI { 2059} (( segid " " and resid 1913 and name HA2 )) (( segid " " and resid 1914 and name H )) 3.500 1.500 1.500 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.11933E-02 ppm1 3.594 ppm2 8.215 CV 1 ASSI { 2060} (( segid " " and resid 1913 and name HA2 )) (( segid " " and resid 1913 and name H )) 3.000 1.100 1.100 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.25936E-02 ppm1 3.587 ppm2 8.099 CV 1 ASSI { 2061} (( segid " " and resid 1913 and name HA2 )) (( segid " " and resid 1915 and name H )) 3.900 1.900 1.900 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.44976E-03 ppm1 3.589 ppm2 7.959 CV 1 ASSI { 2062} (( segid " " and resid 1883 and name HA3 )) (( segid " " and resid 1886 and name H )) 4.700 2.800 1.300 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.29684E-03 ppm1 4.096 ppm2 8.453 CV 1 ASSI { 2064} (( segid " " and resid 1913 and name HA3 )) (( segid " " and resid 1913 and name H )) 2.500 0.800 0.800 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.29534E-02 ppm1 4.076 ppm2 8.100 CV 1 ASSI { 2065} (( segid " " and resid 1913 and name HA3 )) (( segid " " and resid 1915 and name H )) 4.300 2.300 1.700 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.47974E-03 ppm1 4.068 ppm2 7.963 CV 1 ASSI { 2067} (( segid " " and resid 1913 and name HA2 )) (( segid " " and resid 1904 and name H )) 5.300 3.500 0.700 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.24587E-03 ppm1 3.593 ppm2 7.801 CV 1 ASSI { 2068} (( segid " " and resid 1883 and name HA3 )) (( segid " " and resid 1938 and name HE21)) 4.400 2.400 1.600 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.43177E-03 ppm1 4.091 ppm2 6.683 CV 1 ASSI { 2069} (( segid " " and resid 1913 and name HA2 )) (( segid " " and resid 1913 and name HA3 )) 2.000 0.500 0.500 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.64822E-02 ppm1 3.588 ppm2 4.072 CV 1 ASSI { 2070} (( segid " " and resid 1913 and name HA2 )) (( segid " " and resid 1904 and name HA )) 2.600 0.900 0.900 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.19490E-02 ppm1 3.588 ppm2 3.899 CV 1 ASSI { 2071} (( segid " " and resid 1913 and name HA3 )) (( segid " " and resid 1904 and name HA )) 3.100 1.200 1.200 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.15052E-02 ppm1 4.077 ppm2 3.902 CV 1 ASSI { 2072} (( segid " " and resid 1883 and name HA3 )) (( segid " " and resid 1883 and name HA2 )) 2.000 0.500 0.500 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.81106E-02 ppm1 4.092 ppm2 3.718 CV 1 ASSI { 2074} (( segid " " and resid 1883 and name HA3 )) (( segid " " and resid 1884 and name HG2 )) 4.900 3.000 1.100 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.46175E-03 ppm1 4.087 ppm2 2.135 CV 1 ASSI { 2075} (( segid " " and resid 1913 and name HA3 )) (( segid " " and resid 1916 and name HB )) 3.900 1.900 1.900 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.11664E-02 ppm1 4.076 ppm2 2.032 CV 1 ASSI { 2076} (( segid " " and resid 1883 and name HA3 )) (( segid " " and resid 1884 and name HG3 )) 4.600 2.600 1.400 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.57869E-03 ppm1 4.092 ppm2 1.910 CV 1 ASSI { 2077} (( segid " " and resid 1913 and name HA2 )) (( segid " " and resid 1916 and name HB )) 3.100 1.200 1.200 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 3.589 ppm2 2.038 CV 1 ASSI { 2078} (( segid " " and resid 1913 and name HA2 )) (( segid " " and resid 1912 and name HB )) 4.400 2.400 1.600 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.36880E-03 ppm1 3.588 ppm2 1.658 CV 1 ASSI { 2079} (( segid " " and resid 1913 and name HA3 )) (( segid " " and resid 1912 and name HB )) 4.700 2.800 1.300 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.38080E-03 ppm1 4.079 ppm2 1.650 CV 1 ASSI { 2080} (( segid " " and resid 1913 and name HA3 )) ( segid " " and resid 1904 and name HB% ) 2.800 1.000 1.000 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.27405E-02 ppm1 4.080 ppm2 1.457 CV 1 ASSI { 2081} (( segid " " and resid 1913 and name HA2 )) ( segid " " and resid 1904 and name HB% ) 3.600 1.600 1.600 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.18620E-02 ppm1 3.589 ppm2 1.454 CV 1 ASSI { 2085} (( segid " " and resid 1913 and name HA2 )) ( segid " " and resid 1916 and name HG2%) 4.600 2.600 1.400 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.57569E-03 ppm1 3.588 ppm2 0.768 CV 1 ASSI { 2089} (( segid " " and resid 1913 and name HA3 )) ( segid " " and resid 1912 and name HG2%) 4.400 2.400 1.600 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.52172E-03 ppm1 4.076 ppm2 0.833 CV 1 ASSI { 2090} (( segid " " and resid 1913 and name HA3 )) ( segid " " and resid 1916 and name HG2%) 5.400 3.700 0.600 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.42877E-03 ppm1 4.076 ppm2 0.771 CV 1 ASSI { 2091} (( segid " " and resid 1912 and name HA )) (( segid " " and resid 1912 and name HG12)) 2.700 0.900 0.900 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.38649E-02 ppm1 3.809 ppm2 1.141 CV 1 ASSI { 2093} (( segid " " and resid 1912 and name HA )) ( segid " " and resid 1912 and name HG2%) 2.400 0.700 0.700 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.72288E-02 ppm1 3.813 ppm2 0.832 CV 1 ASSI { 2097} (( segid " " and resid 1912 and name HB )) ( segid " " and resid 1912 and name HD1%) 3.400 1.500 1.500 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.21468E-02 ppm1 1.657 ppm2 0.757 CV 1 ASSI { 2098} ( segid " " and resid 1912 and name HD1%) (( segid " " and resid 1912 and name HG12)) 2.100 0.600 0.600 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.10060E-01 ppm1 0.758 ppm2 1.139 CV 1 ASSI { 2100} (( segid " " and resid 1912 and name HG13)) (( segid " " and resid 1912 and name HG12)) 1.800 0.400 0.400 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.10938E-01 ppm1 1.603 ppm2 1.141 CV 1 ASSI { 2101} (( segid " " and resid 1912 and name HG13)) ( segid " " and resid 1912 and name HG2%) 2.700 0.900 0.900 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.24826E-02 ppm1 1.602 ppm2 0.838 CV 1 ASSI { 2102} (( segid " " and resid 1912 and name HG13)) ( segid " " and resid 1912 and name HD1%) 2.400 0.700 0.700 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.51842E-02 ppm1 1.603 ppm2 0.759 CV 1 ASSI { 2103} ( segid " " and resid 1912 and name HG2%) ( segid " " and resid 1912 and name HD1%) 2.700 0.900 0.900 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.40658E-02 ppm1 0.839 ppm2 0.756 CV 1 ASSI { 2105} ( segid " " and resid 1912 and name HG2%) ( segid " " and resid 1907 and name HB% ) 2.200 0.600 0.600 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.11727E-01 ppm1 0.840 ppm2 1.138 CV 1 ASSI { 2107} (( segid " " and resid 1893 and name HA )) (( segid " " and resid 1896 and name HG )) 3.100 3.100 2.900 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.17120E-02 ppm1 3.823 ppm2 1.375 CV 1 ASSI { 2108} (( segid " " and resid 1912 and name HA )) (( segid " " and resid 1912 and name HG13)) 3.200 1.300 1.300 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.32143E-02 ppm1 3.807 ppm2 1.611 CV 1 ASSI { 2110} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1912 and name HB )) 2.200 0.600 0.600 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.90368E-02 ppm1 0.839 ppm2 1.648 CV 1 ASSI { 2112} (( segid " " and resid 1893 and name HA )) (( segid " " and resid 1896 and name HB3 )) 3.500 1.600 1.600 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 3.820 ppm2 1.805 CV 1 ASSI { 2113} (( segid " " and resid 1912 and name HA )) (( segid " " and resid 1911 and name HB2 )) 3.900 1.900 1.900 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.62366E-03 ppm1 3.805 ppm2 1.989 CV 1 ASSI { 2114} (( segid " " and resid 1912 and name HB )) (( segid " " and resid 1911 and name HB2 )) 4.300 2.300 1.700 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.47375E-03 ppm1 1.660 ppm2 1.979 CV 1 ASSI { 2115} (( segid " " and resid 1912 and name HG12)) (( segid " " and resid 1911 and name HB3 )) 4.600 2.600 1.400 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.38379E-03 ppm1 1.138 ppm2 2.039 CV 1 ASSI { 2116} (( segid " " and resid 1912 and name HG12)) (( segid " " and resid 1911 and name HB2 )) 4.000 2.000 2.000 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.30584E-03 ppm1 1.132 ppm2 1.973 CV 1 ASSI { 2118} (( segid " " and resid 1912 and name HG12)) (( segid " " and resid 1909 and name HB2 )) 3.600 3.600 2.400 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.42877E-03 ppm1 1.148 ppm2 2.680 CV 1 ASSI { 2121} (( segid " " and resid 1893 and name HA )) (( segid " " and resid 1893 and name HB3 )) 3.300 1.300 1.300 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.18800E-02 ppm1 3.819 ppm2 2.850 CV 1 ASSI { 2125} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1909 and name HB2 )) 4.300 2.300 1.700 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.71059E-03 ppm1 0.843 ppm2 2.679 CV 1 ASSI { 2129} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1913 and name HA2 )) 3.200 1.300 1.300 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.10074E-02 ppm1 0.837 ppm2 3.582 CV 1 ASSI { 2133} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1970 and name HA )) 4.200 2.200 1.800 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.67165E-03 ppm1 0.838 ppm2 4.237 CV 1 ASSI { 2134} ( segid " " and resid 1912 and name HD1%) (( segid " " and resid 1912 and name HA )) 2.600 0.900 0.900 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.33882E-02 ppm1 0.759 ppm2 3.805 CV 1 ASSI { 2136} (( segid " " and resid 1912 and name HB )) (( segid " " and resid 1912 and name HA )) 3.100 1.200 1.200 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.14272E-02 ppm1 1.658 ppm2 3.803 CV 1 ASSI { 2139} (( segid " " and resid 1893 and name HA )) ( segid " " and resid 1893 and name HD% ) 3.100 1.200 1.200 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.13073E-02 ppm1 3.815 ppm2 6.790 CV 1 ASSI { 2140} (( segid " " and resid 1912 and name HA )) (( segid " " and resid 1915 and name HD2 )) 4.000 2.000 2.000 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.57869E-03 ppm1 3.808 ppm2 7.017 CV 1 ASSI { 2141} (( segid " " and resid 1912 and name HB )) (( segid " " and resid 1909 and name H )) 3.400 1.400 1.400 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.75861E-03 ppm1 1.658 ppm2 7.408 CV 1 ASSI { 2142} (( segid " " and resid 1912 and name HG12)) (( segid " " and resid 1909 and name HD21)) 3.400 1.500 1.500 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.38979E-03 ppm1 1.138 ppm2 6.971 CV 1 ASSI { 2143} ( segid " " and resid 1912 and name HD1%) (( segid " " and resid 1909 and name HD21)) 3.000 1.100 1.100 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.21439E-02 ppm1 0.761 ppm2 6.968 CV 1 ASSI { 2144} (( segid " " and resid 1912 and name HG13)) (( segid " " and resid 1909 and name HD21)) 3.900 1.900 1.900 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.64764E-03 ppm1 1.604 ppm2 6.969 CV 1 ASSI { 2145} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1909 and name HD21)) 5.100 3.300 0.900 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.29684E-03 ppm1 0.831 ppm2 6.974 CV 1 ASSI { 2146} (( segid " " and resid 1917 and name HG2 )) (( segid " " and resid 1918 and name HD2 )) 4.800 2.900 1.200 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.28785E-03 ppm1 1.141 ppm2 7.046 CV 1 ASSI { 2147} ( segid " " and resid 1912 and name HD1%) (( segid " " and resid 1909 and name H )) 2.800 2.800 3.200 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.13793E-02 ppm1 0.755 ppm2 7.406 CV 1 ASSI { 2148} ( segid " " and resid 1912 and name HG2%) ( segid " " and resid 1850 and name HE% ) 3.100 1.200 1.200 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.14782E-02 ppm1 0.839 ppm2 7.162 CV 1 ASSI { 2149} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1909 and name H )) 2.900 2.900 3.100 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.96850E-03 ppm1 0.840 ppm2 7.407 CV 1 ASSI { 2150} (( segid " " and resid 1912 and name HA )) (( segid " " and resid 1915 and name H )) 2.800 1.000 1.000 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.33972E-02 ppm1 3.807 ppm2 7.957 CV 1 ASSI { 2151} (( segid " " and resid 1912 and name HB )) (( segid " " and resid 1912 and name H )) 2.600 0.800 0.800 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.31393E-02 ppm1 1.657 ppm2 7.952 CV 1 ASSI { 2152} ( segid " " and resid 1912 and name HD1%) (( segid " " and resid 1912 and name H )) 3.300 3.300 2.700 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.21678E-02 ppm1 0.760 ppm2 7.951 CV 1 ASSI { 2153} (( segid " " and resid 1912 and name HG12)) (( segid " " and resid 1912 and name H )) 2.600 0.900 0.900 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.19639E-02 ppm1 1.143 ppm2 7.952 CV 1 ASSI { 2154} (( segid " " and resid 1912 and name HB )) (( segid " " and resid 1909 and name HD22)) 6.000 4.500 0.000 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.18890E-03 ppm1 1.662 ppm2 7.710 CV 1 ASSI { 2156} (( segid " " and resid 1912 and name HG13)) (( segid " " and resid 1909 and name HD22)) 5.600 3.900 0.400 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.29984E-03 ppm1 1.609 ppm2 7.701 CV 1 ASSI { 2157} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1912 and name H )) 3.500 1.500 1.500 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.26506E-02 ppm1 0.839 ppm2 7.953 CV 1 ASSI { 2158} (( segid " " and resid 1912 and name HG13)) (( segid " " and resid 1912 and name H )) 3.500 1.600 1.600 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.28155E-02 ppm1 1.601 ppm2 7.949 CV 1 ASSI { 2159} (( segid " " and resid 1912 and name HG13)) (( segid " " and resid 1913 and name H )) 5.000 3.100 1.000 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.42877E-03 ppm1 1.596 ppm2 8.102 CV 1 ASSI { 2161} (( segid " " and resid 1912 and name HG12)) (( segid " " and resid 1913 and name H )) 5.100 3.300 0.900 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.22188E-03 ppm1 1.130 ppm2 8.098 CV 1 ASSI { 2162} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1913 and name H )) 3.100 1.200 1.200 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.27405E-02 ppm1 0.841 ppm2 8.088 CV 1 ASSI { 2163} (( segid " " and resid 1912 and name HG13)) (( segid " " and resid 1911 and name H )) 5.000 3.200 1.000 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.53371E-03 ppm1 1.609 ppm2 8.253 CV 1 ASSI { 2164} (( segid " " and resid 1912 and name HB )) (( segid " " and resid 1913 and name H )) 2.900 1.000 1.000 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.15562E-02 ppm1 1.658 ppm2 8.099 CV 1 ASSI { 2165} (( segid " " and resid 1912 and name HB )) (( segid " " and resid 1911 and name H )) 4.500 2.600 1.500 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.48874E-03 ppm1 1.653 ppm2 8.241 CV 1 ASSI { 2167} (( segid " " and resid 1912 and name HA )) (( segid " " and resid 1911 and name H )) 4.400 2.500 1.600 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.54271E-03 ppm1 3.810 ppm2 8.242 CV 1 ASSI { 2168} (( segid " " and resid 1893 and name HA )) (( segid " " and resid 1897 and name H )) 3.700 1.700 1.700 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.55170E-03 ppm1 3.819 ppm2 8.491 CV 1 ASSI { 2172} (( segid " " and resid 1911 and name HB2 )) ( segid " " and resid 1912 and name HD1%) 3.200 1.300 1.300 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.15262E-02 ppm1 1.964 ppm2 0.763 CV 1 ASSI { 2173} (( segid " " and resid 1870 and name HG3 )) ( segid " " and resid 1885 and name HD1%) 2.600 0.800 0.800 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.32682E-02 ppm1 2.254 ppm2 0.757 CV 1 ASSI { 2174} (( segid " " and resid 1870 and name HG3 )) ( segid " " and resid 1885 and name HD2%) 3.000 1.100 1.100 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.53731E-02 ppm1 2.250 ppm2 0.932 CV 1 ASSI { 2175} (( segid " " and resid 1921 and name HG3 )) ( segid " " and resid 1838 and name HD1%) 3.600 1.600 1.600 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.24257E-02 ppm1 2.137 ppm2 0.973 CV 1 ASSI { 2176} (( segid " " and resid 1921 and name HG3 )) ( segid " " and resid 1835 and name HG2%) 3.400 1.400 1.400 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.26415E-02 ppm1 2.136 ppm2 0.792 CV 1 ASSI { 2179} (( segid " " and resid 1908 and name HA )) (( segid " " and resid 1908 and name HB3 )) 2.300 0.700 0.700 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.94121E-02 ppm1 3.827 ppm2 1.962 CV 1 OR { 2179} (( segid " " and resid 1908 and name HA )) (( segid " " and resid 1908 and name HB2 )) ASSI { 2180} (( segid " " and resid 1908 and name HB2 )) (( segid " " and resid 1908 and name HG2 )) 2.500 0.800 0.800 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.60687E-02 ppm1 1.971 ppm2 2.255 CV 1 OR { 2180} (( segid " " and resid 1908 and name HB3 )) (( segid " " and resid 1908 and name HG2 )) ASSI { 2181} (( segid " " and resid 1908 and name HB3 )) (( segid " " and resid 1908 and name HG3 )) 2.100 0.600 0.600 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.13739E-01 ppm1 1.970 ppm2 2.169 CV 1 OR { 2181} (( segid " " and resid 1908 and name HB2 )) (( segid " " and resid 1908 and name HG3 )) ASSI { 2186} (( segid " " and resid 1908 and name HA )) (( segid " " and resid 1907 and name HA )) 3.700 1.700 1.700 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 3.826 ppm2 3.398 CV 1 ASSI { 2187} (( segid " " and resid 1908 and name HB2 )) (( segid " " and resid 1907 and name HA )) 4.600 2.600 1.400 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.57269E-03 ppm1 1.977 ppm2 3.407 CV 1 ASSI { 2188} (( segid " " and resid 1908 and name HG2 )) (( segid " " and resid 1908 and name HA )) 2.700 0.900 0.900 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.46894E-02 ppm1 2.253 ppm2 3.817 CV 1 ASSI { 2190} (( segid " " and resid 1908 and name HG3 )) (( segid " " and resid 1908 and name HA )) 2.900 1.000 1.000 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.43117E-02 ppm1 2.166 ppm2 3.824 CV 1 ASSI { 2191} (( segid " " and resid 1847 and name HG2 )) (( segid " " and resid 1847 and name HA )) 2.800 1.000 1.000 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.42547E-02 ppm1 2.260 ppm2 4.362 CV 1 ASSI { 2193} (( segid " " and resid 1908 and name HA )) (( segid " " and resid 1909 and name H )) 3.100 1.200 1.200 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.29114E-02 ppm1 3.828 ppm2 7.408 CV 1 ASSI { 2194} (( segid " " and resid 1908 and name HB2 )) (( segid " " and resid 1909 and name H )) 3.100 1.200 1.200 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.13223E-02 ppm1 1.966 ppm2 7.407 CV 1 OR { 2194} (( segid " " and resid 1908 and name HB3 )) (( segid " " and resid 1909 and name H )) ASSI { 2195} (( segid " " and resid 1908 and name HG3 )) (( segid " " and resid 1909 and name H )) 4.600 2.700 1.400 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.61167E-03 ppm1 2.166 ppm2 7.410 CV 1 ASSI { 2196} (( segid " " and resid 1908 and name HG2 )) (( segid " " and resid 1909 and name H )) 4.700 2.800 1.300 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.53671E-03 ppm1 2.269 ppm2 7.413 CV 1 ASSI { 2199} (( segid " " and resid 1908 and name HG3 )) (( segid " " and resid 1908 and name H )) 3.000 1.100 1.100 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.23117E-02 ppm1 2.166 ppm2 8.067 CV 1 ASSI { 2200} (( segid " " and resid 1908 and name HA )) (( segid " " and resid 1908 and name H )) 2.400 0.700 0.700 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.77869E-02 ppm1 3.826 ppm2 8.069 CV 1 ASSI { 2202} (( segid " " and resid 1911 and name HB3 )) (( segid " " and resid 1911 and name H )) 3.300 1.400 1.400 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.43087E-02 ppm1 2.043 ppm2 8.246 CV 1 ASSI { 2203} (( segid " " and resid 1911 and name HB2 )) (( segid " " and resid 1911 and name H )) 2.400 0.700 0.700 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.45395E-02 ppm1 1.977 ppm2 8.248 CV 1 ASSI { 2204} (( segid " " and resid 1847 and name HG2 )) (( segid " " and resid 1847 and name H )) 3.200 3.200 2.800 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.15202E-02 ppm1 2.253 ppm2 8.569 CV 1 ASSI { 2205} (( segid " " and resid 1847 and name HG3 )) (( segid " " and resid 1847 and name H )) 3.300 1.300 1.300 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.13133E-02 ppm1 2.189 ppm2 8.566 CV 1 ASSI { 2206} (( segid " " and resid 1907 and name HA )) (( segid " " and resid 1908 and name H )) 2.500 0.800 0.800 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.49833E-02 ppm1 3.404 ppm2 8.068 CV 1 ASSI { 2207} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1908 and name H )) 2.500 0.800 0.800 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.57838E-02 ppm1 1.137 ppm2 8.076 CV 1 ASSI { 2208} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1914 and name H )) 4.400 2.400 1.600 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.52772E-03 ppm1 1.141 ppm2 8.222 CV 1 ASSI { 2209} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1909 and name H )) 2.900 1.000 1.000 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.35441E-02 ppm1 1.138 ppm2 7.407 CV 1 ASSI { 2210} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1907 and name H )) 2.300 0.600 0.600 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.98794E-02 ppm1 1.137 ppm2 7.315 CV 1 ASSI { 2211} ( segid " " and resid 1907 and name HB% ) ( segid " " and resid 1850 and name HD% ) 2.700 0.900 0.900 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.30734E-02 ppm1 1.138 ppm2 7.239 CV 1 ASSI { 2212} ( segid " " and resid 1907 and name HB% ) ( segid " " and resid 1850 and name HE% ) 2.800 0.900 0.900 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.30134E-02 ppm1 1.137 ppm2 7.160 CV 1 ASSI { 2213} (( segid " " and resid 1907 and name HA )) (( segid " " and resid 1909 and name H )) 4.800 2.900 1.200 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.49473E-03 ppm1 3.407 ppm2 7.407 CV 1 ASSI { 2215} (( segid " " and resid 1907 and name HA )) ( segid " " and resid 1850 and name HD% ) 2.900 1.100 1.100 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.23807E-02 ppm1 3.404 ppm2 7.239 CV 1 ASSI { 2216} (( segid " " and resid 1907 and name HA )) ( segid " " and resid 1850 and name HE% ) 3.900 1.900 1.900 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.98948E-03 ppm1 3.404 ppm2 7.161 CV 1 ASSI { 2218} (( segid " " and resid 1907 and name HA )) (( segid " " and resid 1850 and name HA )) 4.700 2.700 1.300 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.39279E-03 ppm1 3.405 ppm2 4.167 CV 1 ASSI { 2220} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1913 and name HA3 )) 2.900 1.000 1.000 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.25097E-02 ppm1 1.137 ppm2 4.079 CV 1 ASSI { 2222} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1908 and name HA )) 3.500 1.500 1.500 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.17181E-02 ppm1 1.137 ppm2 3.824 CV 1 ASSI { 2223} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1913 and name HA2 )) 2.900 1.100 1.100 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.22788E-02 ppm1 1.138 ppm2 3.584 CV 1 ASSI { 2224} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1907 and name HA )) 2.200 0.600 0.600 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.95498E-02 ppm1 1.137 ppm2 3.401 CV 1 ASSI { 2225} (( segid " " and resid 1907 and name HA )) (( segid " " and resid 1850 and name HB2 )) 3.000 1.100 1.100 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 3.406 ppm2 3.267 CV 1 ASSI { 2226} (( segid " " and resid 1907 and name HA )) (( segid " " and resid 1850 and name HB3 )) 4.400 2.400 1.600 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.68362E-03 ppm1 3.407 ppm2 3.002 CV 1 ASSI { 2227} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1850 and name HB2 )) 4.000 2.000 2.000 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.67763E-03 ppm1 1.138 ppm2 3.259 CV 1 ASSI { 2228} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1850 and name HB3 )) 3.500 1.500 1.500 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.37180E-03 ppm1 1.127 ppm2 2.992 CV 1 ASSI { 2229} (( segid " " and resid 1907 and name HA )) (( segid " " and resid 1908 and name HG3 )) 4.600 2.600 1.400 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.31483E-03 ppm1 3.400 ppm2 2.178 CV 1 ASSI { 2231} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1908 and name HG2 )) 4.700 2.700 1.300 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.44376E-03 ppm1 1.141 ppm2 2.253 CV 1 ASSI { 2232} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1908 and name HB2 )) 3.900 1.900 1.900 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.12473E-02 ppm1 1.140 ppm2 1.970 CV 1 ASSI { 2233} (( segid " " and resid 1907 and name HA )) ( segid " " and resid 1906 and name HB% ) 3.800 1.800 1.800 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.69559E-03 ppm1 3.404 ppm2 1.569 CV 1 ASSI { 2234} ( segid " " and resid 1907 and name HB% ) (( segid " " and resid 1912 and name HB )) 2.700 0.900 0.900 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.25456E-02 ppm1 1.136 ppm2 1.649 CV 1 ASSI { 2236} ( segid " " and resid 1907 and name HB% ) ( segid " " and resid 1904 and name HB% ) 3.600 1.600 1.600 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.15742E-02 ppm1 1.138 ppm2 1.451 CV 1 ASSI { 2239} ( segid " " and resid 1907 and name HB% ) ( segid " " and resid 1912 and name HD1%) 3.900 1.900 1.900 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.18620E-02 ppm1 1.138 ppm2 0.752 CV 1 ASSI { 2240} ( segid " " and resid 1907 and name HB% ) ( segid " " and resid 1916 and name HD1%) 3.100 1.200 1.200 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.24707E-02 ppm1 1.139 ppm2 0.993 CV 1 ASSI { 2241} (( segid " " and resid 1907 and name HA )) ( segid " " and resid 1912 and name HG2%) 4.300 2.400 1.700 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.50373E-03 ppm1 3.403 ppm2 0.839 CV 1 ASSI { 2242} (( segid " " and resid 1906 and name HA )) ( segid " " and resid 1907 and name HB% ) 4.600 2.600 1.400 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.45576E-03 ppm1 4.337 ppm2 1.135 CV 1 ASSI { 2243} (( segid " " and resid 1906 and name HA )) ( segid " " and resid 1905 and name HG1%) 4.300 2.300 1.700 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.26386E-03 ppm1 4.338 ppm2 1.023 CV 1 ASSI { 2244} (( segid " " and resid 1906 and name HA )) ( segid " " and resid 1905 and name HG2%) 2.900 1.100 1.100 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.10015E-02 ppm1 4.340 ppm2 0.936 CV 1 ASSI { 2246} ( segid " " and resid 1834 and name HB% ) ( segid " " and resid 1897 and name HB% ) 2.100 0.500 0.500 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.12242E-01 ppm1 1.588 ppm2 0.990 CV 1 ASSI { 2247} ( segid " " and resid 1906 and name HB% ) ( segid " " and resid 1907 and name HB% ) 3.800 1.800 1.800 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.92647E-03 ppm1 1.575 ppm2 1.140 CV 1 ASSI { 2248} ( segid " " and resid 1834 and name HB% ) ( segid " " and resid 1835 and name HG2%) 3.800 1.800 1.800 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.15471E-02 ppm1 1.585 ppm2 0.796 CV 1 ASSI { 2249} (( segid " " and resid 1906 and name HA )) ( segid " " and resid 1906 and name HB% ) 2.300 0.600 0.600 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.93786E-02 ppm1 4.339 ppm2 1.570 CV 1 ASSI { 2250} (( segid " " and resid 1906 and name HA )) (( segid " " and resid 1846 and name HG3 )) 3.300 1.400 1.400 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.71664E-03 ppm1 4.335 ppm2 1.949 CV 1 ASSI { 2251} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1846 and name HG3 )) 3.000 1.100 1.100 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.18320E-02 ppm1 1.574 ppm2 1.942 CV 1 ASSI { 2252} (( segid " " and resid 1906 and name HA )) (( segid " " and resid 1846 and name HB2 )) 3.700 1.700 1.700 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.77656E-03 ppm1 4.340 ppm2 2.253 CV 1 ASSI { 2253} (( segid " " and resid 1906 and name HA )) (( segid " " and resid 1846 and name HB3 )) 3.800 1.800 1.800 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.95949E-03 ppm1 4.340 ppm2 2.140 CV 1 ASSI { 2254} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1846 and name HB2 )) 2.900 1.100 1.100 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.21588E-02 ppm1 1.580 ppm2 2.249 CV 1 ASSI { 2255} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1846 and name HB3 )) 2.600 2.600 3.400 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.41047E-02 ppm1 1.579 ppm2 2.121 CV 1 ASSI { 2256} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1850 and name HB3 )) 3.900 1.900 1.900 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.17751E-02 ppm1 1.571 ppm2 3.000 CV 1 ASSI { 2257} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1853 and name HB2 )) 3.400 1.400 1.400 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.10015E-02 ppm1 1.580 ppm2 2.833 CV 1 ASSI { 2258} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1903 and name HA )) 2.400 0.700 0.700 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.56579E-02 ppm1 1.573 ppm2 3.447 CV 1 ASSI { 2259} ( segid " " and resid 1834 and name HB% ) (( segid " " and resid 1894 and name HA2 )) 2.600 0.900 0.900 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.43777E-02 ppm1 1.582 ppm2 3.387 CV 1 ASSI { 2260} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1850 and name HB2 )) 2.800 1.000 1.000 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.26446E-02 ppm1 1.572 ppm2 3.263 CV 1 ASSI { 2261} (( segid " " and resid 1906 and name HA )) (( segid " " and resid 1903 and name HA )) 5.100 3.200 0.900 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.43777E-03 ppm1 4.344 ppm2 3.457 CV 1 ASSI { 2262} ( segid " " and resid 1834 and name HB% ) (( segid " " and resid 1834 and name HA )) 2.000 0.500 0.500 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.13181E-01 ppm1 1.587 ppm2 4.114 CV 1 ASSI { 2263} ( segid " " and resid 1834 and name HB% ) (( segid " " and resid 1894 and name HA3 )) 3.300 1.400 1.400 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.31993E-02 ppm1 1.583 ppm2 3.904 CV 1 ASSI { 2264} ( segid " " and resid 1834 and name HB% ) (( segid " " and resid 1831 and name HA )) 2.500 0.800 0.800 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.51782E-02 ppm1 1.588 ppm2 3.802 CV 1 ASSI { 2266} ( segid " " and resid 1906 and name HB% ) ( segid " " and resid 1853 and name HD% ) 2.600 0.900 0.900 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.36400E-02 ppm1 1.574 ppm2 6.958 CV 1 ASSI { 2267} ( segid " " and resid 1834 and name HB% ) ( segid " " and resid 1893 and name HE% ) 2.300 0.700 0.700 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.63775E-02 ppm1 1.584 ppm2 6.650 CV 1 ASSI { 2268} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1907 and name H )) 2.900 1.000 1.000 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.35021E-02 ppm1 1.571 ppm2 7.318 CV 1 ASSI { 2269} ( segid " " and resid 1906 and name HB% ) ( segid " " and resid 1850 and name HD% ) 2.600 0.800 0.800 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.50673E-02 ppm1 1.572 ppm2 7.239 CV 1 ASSI { 2270} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1905 and name H )) 3.800 1.800 1.800 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.15711E-02 ppm1 1.570 ppm2 7.101 CV 1 ASSI { 2271} (( segid " " and resid 1906 and name HA )) (( segid " " and resid 1907 and name H )) 3.200 1.300 1.300 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.13912E-02 ppm1 4.338 ppm2 7.312 CV 1 ASSI { 2272} (( segid " " and resid 1906 and name HA )) ( segid " " and resid 1850 and name HD% ) 4.700 2.800 1.300 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.37780E-03 ppm1 4.346 ppm2 7.236 CV 1 ASSI { 2273} (( segid " " and resid 1906 and name HA )) (( segid " " and resid 1905 and name H )) 4.600 2.600 1.400 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.56070E-03 ppm1 4.339 ppm2 7.095 CV 1 ASSI { 2274} ( segid " " and resid 1834 and name HB% ) (( segid " " and resid 1834 and name H )) 2.200 0.600 0.600 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.95949E-02 ppm1 1.588 ppm2 7.769 CV 1 ASSI { 2275} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1906 and name H )) 2.300 0.700 0.700 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.82246E-02 ppm1 1.573 ppm2 8.021 CV 1 ASSI { 2276} (( segid " " and resid 1906 and name HA )) (( segid " " and resid 1906 and name H )) 2.800 1.000 1.000 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.30014E-02 ppm1 4.340 ppm2 8.020 CV 1 ASSI { 2277} ( segid " " and resid 1834 and name HB% ) (( segid " " and resid 1835 and name H )) 2.700 0.900 0.900 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.31483E-02 ppm1 1.586 ppm2 8.440 CV 1 ASSI { 2278} ( segid " " and resid 1834 and name HB% ) (( segid " " and resid 1836 and name H )) 3.900 1.900 1.900 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 1.584 ppm2 8.268 CV 1 ASSI { 2279} ( segid " " and resid 1834 and name HB% ) (( segid " " and resid 1833 and name H )) 3.700 1.700 1.700 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.16281E-02 ppm1 1.582 ppm2 8.209 CV 1 ASSI { 2280} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1850 and name H )) 3.200 1.300 1.300 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 1.572 ppm2 9.302 CV 1 ASSI { 2281} ( segid " " and resid 1851 and name HG1%) (( segid " " and resid 1851 and name H )) 2.200 0.600 0.600 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.70132E-02 ppm1 1.035 ppm2 8.215 CV 1 ASSI { 2282} (( segid " " and resid 1905 and name HB )) (( segid " " and resid 1906 and name H )) 3.100 1.200 1.200 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.17751E-02 ppm1 2.079 ppm2 8.015 CV 1 ASSI { 2283} (( segid " " and resid 1905 and name HA )) (( segid " " and resid 1905 and name H )) 2.700 0.900 0.900 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.34122E-02 ppm1 3.752 ppm2 7.098 CV 1 ASSI { 2286} ( segid " " and resid 1905 and name HG2%) (( segid " " and resid 1905 and name H )) 2.900 1.100 1.100 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.25546E-02 ppm1 0.938 ppm2 7.100 CV 1 ASSI { 2287} ( segid " " and resid 1851 and name HG1%) ( segid " " and resid 1850 and name HD% ) 3.600 1.600 1.600 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.23987E-02 ppm1 1.032 ppm2 7.237 CV 1 ASSI { 2288} ( segid " " and resid 1851 and name HG1%) (( segid " " and resid 1852 and name H )) 2.800 1.000 1.000 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.22998E-02 ppm1 1.033 ppm2 7.326 CV 1 ASSI { 2292} ( segid " " and resid 1905 and name HG2%) (( segid " " and resid 1905 and name HA )) 2.300 0.600 0.600 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.11247E-01 ppm1 0.936 ppm2 3.751 CV 1 ASSI { 2293} ( segid " " and resid 1851 and name HG1%) (( segid " " and resid 1851 and name HB )) 2.100 0.500 0.500 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.14026E-01 ppm1 1.034 ppm2 2.016 CV 1 ASSI { 2294} (( segid " " and resid 1905 and name HA )) ( segid " " and resid 1904 and name HB% ) 3.800 1.800 1.800 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.85155E-03 ppm1 3.747 ppm2 1.459 CV 1 ASSI { 2295} (( segid " " and resid 1905 and name HA )) ( segid " " and resid 1906 and name HB% ) 5.000 3.100 1.000 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.27585E-03 ppm1 3.755 ppm2 1.578 CV 1 ASSI { 2296} (( segid " " and resid 1812 and name HB2 )) (( segid " " and resid 1812 and name HB3 )) 2.000 0.500 0.500 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.72140E-02 ppm1 2.087 ppm2 1.569 CV 1 ASSI { 2297} (( segid " " and resid 1905 and name HA )) ( segid " " and resid 1905 and name HG1%) 2.500 0.800 0.800 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.72533E-02 ppm1 3.754 ppm2 1.023 CV 1 ASSI { 2299} ( segid " " and resid 1851 and name HG1%) ( segid " " and resid 1851 and name HG2%) 2.300 0.700 0.700 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.99334E-02 ppm1 1.035 ppm2 0.902 CV 1 ASSI { 2300} ( segid " " and resid 1905 and name HG2%) ( segid " " and resid 1905 and name HG1%) 2.000 0.500 0.500 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.24545E-01 ppm1 0.936 ppm2 1.023 CV 1 ASSI { 2301} ( segid " " and resid 1903 and name HB% ) ( segid " " and resid 1916 and name HG2%) 2.800 1.000 1.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.25156E-02 ppm1 1.261 ppm2 0.772 CV 1 ASSI { 2302} ( segid " " and resid 1903 and name HB% ) ( segid " " and resid 1920 and name HG2%) 4.600 2.700 1.400 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.46475E-03 ppm1 1.260 ppm2 0.974 CV 1 ASSI { 2305} ( segid " " and resid 1903 and name HB% ) ( segid " " and resid 1906 and name HB% ) 4.000 2.000 2.000 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.11694E-02 ppm1 1.266 ppm2 1.563 CV 1 ASSI { 2306} ( segid " " and resid 1903 and name HB% ) (( segid " " and resid 1902 and name HB2 )) 3.600 1.600 1.600 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.97745E-03 ppm1 1.262 ppm2 1.933 CV 1 ASSI { 2308} ( segid " " and resid 1903 and name HB% ) (( segid " " and resid 1899 and name HB3 )) 3.000 1.100 1.100 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.12533E-02 ppm1 1.263 ppm2 2.078 CV 1 ASSI { 2309} (( segid " " and resid 1903 and name HA )) (( segid " " and resid 1853 and name HB2 )) 3.400 1.500 1.500 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.63566E-03 ppm1 3.459 ppm2 2.814 CV 1 ASSI { 2310} (( segid " " and resid 1903 and name HA )) (( segid " " and resid 1853 and name HB3 )) 3.800 1.800 1.800 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.62966E-03 ppm1 3.458 ppm2 2.539 CV 1 ASSI { 2311} ( segid " " and resid 1903 and name HB% ) (( segid " " and resid 1853 and name HB3 )) 2.800 1.000 1.000 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.22967E-02 ppm1 1.261 ppm2 2.529 CV 1 ASSI { 2312} ( segid " " and resid 1903 and name HB% ) (( segid " " and resid 1853 and name HB2 )) 2.900 1.100 1.100 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.31513E-02 ppm1 1.262 ppm2 2.812 CV 1 ASSI { 2313} ( segid " " and resid 1903 and name HB% ) (( segid " " and resid 1903 and name HA )) 2.200 0.600 0.600 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.92171E-02 ppm1 1.261 ppm2 3.451 CV 1 ASSI { 2314} ( segid " " and resid 1903 and name HB% ) (( segid " " and resid 1900 and name HA )) 2.400 0.700 0.700 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.71960E-02 ppm1 1.262 ppm2 3.856 CV 1 ASSI { 2315} ( segid " " and resid 1903 and name HB% ) (( segid " " and resid 1899 and name HA )) 2.700 2.700 3.300 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.16161E-02 ppm1 1.261 ppm2 4.129 CV 1 ASSI { 2316} (( segid " " and resid 1903 and name HA )) (( segid " " and resid 1850 and name HA )) 3.800 1.800 1.800 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.66862E-03 ppm1 3.459 ppm2 4.165 CV 1 ASSI { 2317} (( segid " " and resid 1903 and name HA )) (( segid " " and resid 1900 and name HA )) 5.100 3.300 0.900 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.30883E-03 ppm1 3.459 ppm2 3.855 CV 1 ASSI { 2318} ( segid " " and resid 1903 and name HB% ) ( segid " " and resid 1853 and name HE% ) 4.300 2.300 1.700 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.50973E-03 ppm1 1.259 ppm2 6.664 CV 1 ASSI { 2319} (( segid " " and resid 1903 and name HA )) (( segid " " and resid 1903 and name H )) 2.900 1.000 1.000 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.23298E-02 ppm1 3.459 ppm2 7.381 CV 1 ASSI { 2320} (( segid " " and resid 1903 and name HA )) ( segid " " and resid 1850 and name HD% ) 3.400 1.500 1.500 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.94752E-03 ppm1 3.460 ppm2 7.236 CV 1 ASSI { 2321} (( segid " " and resid 1903 and name HA )) ( segid " " and resid 1850 and name HE% ) 4.300 2.300 1.700 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.47075E-03 ppm1 3.442 ppm2 7.158 CV 1 ASSI { 2322} (( segid " " and resid 1903 and name HA )) (( segid " " and resid 1905 and name H )) 4.200 2.200 1.800 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.42277E-03 ppm1 3.452 ppm2 7.100 CV 1 ASSI { 2323} (( segid " " and resid 1903 and name HA )) ( segid " " and resid 1853 and name HD% ) 3.300 1.300 1.300 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 3.456 ppm2 6.954 CV 1 ASSI { 2324} (( segid " " and resid 1903 and name HA )) ( segid " " and resid 1853 and name HE% ) 4.300 2.300 1.700 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.41378E-03 ppm1 3.456 ppm2 6.666 CV 1 ASSI { 2325} ( segid " " and resid 1903 and name HB% ) ( segid " " and resid 1853 and name HD% ) 3.400 1.400 1.400 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.20449E-02 ppm1 1.266 ppm2 6.951 CV 1 ASSI { 2326} ( segid " " and resid 1903 and name HB% ) (( segid " " and resid 1903 and name H )) 2.300 0.700 0.700 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.83655E-02 ppm1 1.262 ppm2 7.381 CV 1 ASSI { 2327} ( segid " " and resid 1903 and name HB% ) ( segid " " and resid 1850 and name HD% ) 3.100 1.200 1.200 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.20599E-02 ppm1 1.264 ppm2 7.236 CV 1 ASSI { 2328} ( segid " " and resid 1903 and name HB% ) ( segid " " and resid 1850 and name HE% ) 3.500 1.500 1.500 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.26386E-02 ppm1 1.261 ppm2 7.151 CV 1 ASSI { 2329} (( segid " " and resid 1903 and name HA )) (( segid " " and resid 1906 and name H )) 3.400 1.500 1.500 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.89351E-03 ppm1 3.459 ppm2 8.019 CV 1 ASSI { 2330} (( segid " " and resid 1903 and name HA )) (( segid " " and resid 1904 and name H )) 3.600 1.600 1.600 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.74361E-03 ppm1 3.462 ppm2 7.796 CV 1 ASSI { 2331} ( segid " " and resid 1903 and name HB% ) (( segid " " and resid 1904 and name H )) 2.600 0.800 0.800 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.45815E-02 ppm1 1.260 ppm2 7.799 CV 1 ASSI { 2332} (( segid " " and resid 1902 and name HA )) ( segid " " and resid 1905 and name HG1%) 3.100 1.200 1.200 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.21978E-02 ppm1 4.186 ppm2 1.023 CV 1 ASSI { 2333} (( segid " " and resid 1902 and name HA )) ( segid " " and resid 1905 and name HG2%) 3.600 1.600 1.600 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.89351E-03 ppm1 4.187 ppm2 0.936 CV 1 ASSI { 2334} (( segid " " and resid 1902 and name HB3 )) ( segid " " and resid 1905 and name HG1%) 4.200 2.300 1.800 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.45875E-03 ppm1 1.319 ppm2 1.022 CV 1 ASSI { 2335} (( segid " " and resid 1902 and name HD3 )) (( segid " " and resid 1901 and name HG3 )) 3.900 1.900 1.900 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.81557E-03 ppm1 3.299 ppm2 1.380 CV 1 ASSI { 2336} (( segid " " and resid 1902 and name HD2 )) ( segid " " and resid 1900 and name HB% ) 4.000 2.000 2.000 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.76157E-03 ppm1 4.014 ppm2 1.381 CV 1 ASSI { 2337} (( segid " " and resid 1902 and name HD2 )) (( segid " " and resid 1902 and name HB3 )) 4.300 2.300 1.700 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.67763E-03 ppm1 4.012 ppm2 1.321 CV 1 ASSI { 2338} (( segid " " and resid 1902 and name HA )) (( segid " " and resid 1902 and name HB3 )) 2.700 0.900 0.900 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.23747E-02 ppm1 4.186 ppm2 1.322 CV 1 ASSI { 2339} (( segid " " and resid 1902 and name HA )) ( segid " " and resid 1904 and name HB% ) 4.300 2.300 1.700 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.42577E-03 ppm1 4.190 ppm2 1.443 CV 1 ASSI { 2340} (( segid " " and resid 1902 and name HA )) ( segid " " and resid 1906 and name HB% ) 4.400 2.400 1.600 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.26986E-03 ppm1 4.186 ppm2 1.567 CV 1 ASSI { 2341} (( segid " " and resid 1902 and name HD3 )) (( segid " " and resid 1901 and name HG2 )) 4.900 3.000 1.100 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.40178E-03 ppm1 3.294 ppm2 1.539 CV 1 ASSI { 2342} (( segid " " and resid 1902 and name HD2 )) (( segid " " and resid 1901 and name HG2 )) 5.600 3.900 0.400 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.26986E-03 ppm1 4.008 ppm2 1.543 CV 1 ASSI { 2344} (( segid " " and resid 1885 and name HG )) ( segid " " and resid 1885 and name HD1%) 2.400 0.700 0.700 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.32052E-02 ppm1 1.855 ppm2 0.755 CV 1 ASSI { 2345} (( segid " " and resid 1902 and name HD3 )) ( segid " " and resid 1838 and name HD2%) 3.700 1.700 1.700 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.25187E-03 ppm1 3.308 ppm2 0.948 CV 1 ASSI { 2346} (( segid " " and resid 1902 and name HD2 )) (( segid " " and resid 1902 and name HB2 )) 2.700 2.700 3.300 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.34571E-02 ppm1 4.011 ppm2 1.940 CV 1 ASSI { 2347} (( segid " " and resid 1902 and name HD2 )) (( segid " " and resid 1902 and name HG2 )) 2.700 0.900 0.900 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.24347E-02 ppm1 4.012 ppm2 1.842 CV 1 OR { 2347} (( segid " " and resid 1902 and name HD2 )) (( segid " " and resid 1902 and name HG3 )) ASSI { 2348} (( segid " " and resid 1902 and name HD3 )) (( segid " " and resid 1902 and name HB2 )) 3.100 1.200 1.200 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.42547E-02 ppm1 3.293 ppm2 1.939 CV 1 ASSI { 2349} (( segid " " and resid 1902 and name HD3 )) (( segid " " and resid 1902 and name HG3 )) 2.600 0.800 0.800 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.29234E-02 ppm1 3.297 ppm2 1.844 CV 1 OR { 2349} (( segid " " and resid 1902 and name HD3 )) (( segid " " and resid 1902 and name HG2 )) ASSI { 2350} (( segid " " and resid 1902 and name HB3 )) (( segid " " and resid 1902 and name HB2 )) 2.000 0.500 0.500 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.71149E-02 ppm1 1.322 ppm2 1.931 CV 1 ASSI { 2351} (( segid " " and resid 1902 and name HA )) (( segid " " and resid 1902 and name HB2 )) 2.900 1.000 1.000 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.45845E-02 ppm1 4.186 ppm2 1.934 CV 1 ASSI { 2352} (( segid " " and resid 1902 and name HA )) (( segid " " and resid 1902 and name HG3 )) 3.500 1.600 1.600 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 4.188 ppm2 1.852 CV 1 OR { 2352} (( segid " " and resid 1902 and name HA )) (( segid " " and resid 1902 and name HG2 )) ASSI { 2353} (( segid " " and resid 1902 and name HA )) (( segid " " and resid 1902 and name HD3 )) 3.700 1.700 1.700 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.69862E-03 ppm1 4.187 ppm2 3.288 CV 1 ASSI { 2354} (( segid " " and resid 1902 and name HB3 )) (( segid " " and resid 1902 and name HD3 )) 4.200 2.200 1.800 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.72559E-03 ppm1 1.322 ppm2 3.289 CV 1 ASSI { 2355} (( segid " " and resid 1902 and name HD2 )) (( segid " " and resid 1902 and name HD3 )) 2.000 0.500 0.500 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.47734E-02 ppm1 4.013 ppm2 3.292 CV 1 ASSI { 2361} (( segid " " and resid 1902 and name HD2 )) (( segid " " and resid 1899 and name HA )) 2.800 1.000 1.000 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.13133E-02 ppm1 4.016 ppm2 4.121 CV 1 ASSI { 2365} (( segid " " and resid 1902 and name HB3 )) (( segid " " and resid 1903 and name H )) 4.300 2.300 1.700 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.65363E-03 ppm1 1.320 ppm2 7.379 CV 1 ASSI { 2366} (( segid " " and resid 1902 and name HB3 )) ( segid " " and resid 1853 and name HE% ) 3.800 1.800 1.800 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.65665E-03 ppm1 1.316 ppm2 6.666 CV 1 ASSI { 2367} (( segid " " and resid 1902 and name HA )) (( segid " " and resid 1903 and name H )) 3.600 1.600 1.600 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.71361E-03 ppm1 4.184 ppm2 7.380 CV 1 ASSI { 2368} (( segid " " and resid 1902 and name HA )) (( segid " " and resid 1905 and name H )) 3.300 1.400 1.400 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.95048E-03 ppm1 4.188 ppm2 7.097 CV 1 ASSI { 2369} (( segid " " and resid 1902 and name HD3 )) (( segid " " and resid 1901 and name H )) 2.900 1.100 1.100 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.18710E-02 ppm1 3.295 ppm2 7.039 CV 1 ASSI { 2371} (( segid " " and resid 1902 and name HD2 )) (( segid " " and resid 1901 and name H )) 2.700 0.900 0.900 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.22548E-02 ppm1 4.012 ppm2 7.038 CV 1 ASSI { 2372} (( segid " " and resid 1902 and name HD3 )) (( segid " " and resid 1903 and name H )) 4.300 2.300 1.700 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.59068E-03 ppm1 3.295 ppm2 7.382 CV 1 ASSI { 2373} (( segid " " and resid 1885 and name HG )) (( segid " " and resid 1885 and name H )) 2.600 0.900 0.900 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.23177E-02 ppm1 1.852 ppm2 7.246 CV 1 ASSI { 2374} (( segid " " and resid 1838 and name HG )) (( segid " " and resid 1838 and name H )) 2.600 0.900 0.900 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.25306E-02 ppm1 1.871 ppm2 7.392 CV 1 ASSI { 2376} (( segid " " and resid 1846 and name HG3 )) ( segid " " and resid 1853 and name HE% ) 4.300 2.300 1.700 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.86056E-03 ppm1 1.927 ppm2 6.663 CV 1 ASSI { 2377} (( segid " " and resid 1902 and name HA )) (( segid " " and resid 1906 and name H )) 4.100 2.100 1.900 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.33282E-03 ppm1 4.192 ppm2 8.013 CV 1 ASSI { 2378} (( segid " " and resid 1902 and name HA )) (( segid " " and resid 1904 and name H )) 4.200 2.200 1.800 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.32083E-03 ppm1 4.183 ppm2 7.789 CV 1 ASSI { 2382} (( segid " " and resid 1900 and name HA )) ( segid " " and resid 1920 and name HG2%) 3.500 1.500 1.500 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.16461E-02 ppm1 3.860 ppm2 0.974 CV 1 ASSI { 2384} (( segid " " and resid 1900 and name HA )) ( segid " " and resid 1900 and name HB% ) 2.200 0.600 0.600 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.77090E-02 ppm1 3.857 ppm2 1.388 CV 1 ASSI { 2389} ( segid " " and resid 1900 and name HB% ) (( segid " " and resid 1897 and name HA )) 2.400 0.700 0.700 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.47165E-02 ppm1 1.391 ppm2 3.679 CV 1 ASSI { 2391} ( segid " " and resid 1900 and name HB% ) (( segid " " and resid 1901 and name H )) 2.700 0.900 0.900 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.27375E-02 ppm1 1.391 ppm2 7.040 CV 1 ASSI { 2392} (( segid " " and resid 1900 and name HA )) (( segid " " and resid 1901 and name H )) 3.400 1.500 1.500 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.83655E-03 ppm1 3.856 ppm2 7.037 CV 1 ASSI { 2393} (( segid " " and resid 1900 and name HA )) (( segid " " and resid 1903 and name H )) 3.200 1.300 1.300 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.12293E-02 ppm1 3.856 ppm2 7.378 CV 1 ASSI { 2394} (( segid " " and resid 1900 and name HA )) (( segid " " and resid 1899 and name H )) 4.700 2.800 1.300 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.37180E-03 ppm1 3.851 ppm2 7.623 CV 1 ASSI { 2396} (( segid " " and resid 1900 and name HA )) (( segid " " and resid 1900 and name H )) 2.700 0.900 0.900 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.31723E-02 ppm1 3.857 ppm2 7.837 CV 1 ASSI { 2397} (( segid " " and resid 1904 and name HA )) (( segid " " and resid 1904 and name H )) 2.700 0.900 0.900 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.30673E-02 ppm1 3.903 ppm2 7.799 CV 1 ASSI { 2398} ( segid " " and resid 1900 and name HB% ) (( segid " " and resid 1900 and name H )) 2.200 0.600 0.600 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.83295E-02 ppm1 1.391 ppm2 7.839 CV 1 ASSI { 2403} ( segid " " and resid 1896 and name HD1%) ( segid " " and resid 1860 and name HG2%) 3.200 1.300 1.300 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.22938E-02 ppm1 0.855 ppm2 1.155 CV 1 ASSI { 2404} ( segid " " and resid 1896 and name HD1%) ( segid " " and resid 1923 and name HD1%) 2.100 0.600 0.600 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.14158E-01 ppm1 0.856 ppm2 1.002 CV 1 ASSI { 2405} ( segid " " and resid 1896 and name HD2%) ( segid " " and resid 1860 and name HG2%) 2.900 1.100 1.100 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.42727E-02 ppm1 0.891 ppm2 1.156 CV 1 ASSI { 2406} (( segid " " and resid 1896 and name HG )) ( segid " " and resid 1896 and name HD1%) 2.500 0.800 0.800 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.38319E-02 ppm1 1.387 ppm2 0.865 CV 1 ASSI { 2407} (( segid " " and resid 1896 and name HG )) ( segid " " and resid 1860 and name HG2%) 3.200 1.300 1.300 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.87556E-03 ppm1 1.391 ppm2 1.157 CV 1 ASSI { 2408} (( segid " " and resid 1896 and name HA )) (( segid " " and resid 1896 and name HB2 )) 2.600 0.800 0.800 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.44496E-02 ppm1 3.958 ppm2 1.369 CV 1 OR { 2408} (( segid " " and resid 1896 and name HA )) (( segid " " and resid 1896 and name HG )) ASSI { 2410} (( segid " " and resid 1896 and name HA )) ( segid " " and resid 1860 and name HG2%) 3.100 1.200 1.200 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.19819E-02 ppm1 3.959 ppm2 1.159 CV 1 ASSI { 2411} (( segid " " and resid 1896 and name HB2 )) ( segid " " and resid 1860 and name HG2%) 3.200 1.300 1.300 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.12743E-02 ppm1 1.367 ppm2 1.156 CV 1 ASSI { 2412} (( segid " " and resid 1896 and name HB3 )) (( segid " " and resid 1896 and name HG )) 2.700 0.900 0.900 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.42067E-02 ppm1 1.804 ppm2 1.372 CV 1 ASSI { 2416} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1896 and name HB3 )) 2.500 0.800 0.800 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.62696E-02 ppm1 0.856 ppm2 1.795 CV 1 ASSI { 2417} ( segid " " and resid 1957 and name HG2%) (( segid " " and resid 1956 and name HB2 )) 2.800 1.000 1.000 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.28305E-02 ppm1 0.892 ppm2 2.051 CV 1 ASSI { 2418} ( segid " " and resid 1896 and name HD2%) (( segid " " and resid 1857 and name HB3 )) 2.500 0.800 0.800 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.38109E-02 ppm1 0.891 ppm2 1.866 CV 1 ASSI { 2420} (( segid " " and resid 1882 and name HB2 )) (( segid " " and resid 1882 and name HB3 )) 2.000 0.500 0.500 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.44346E-02 ppm1 1.280 ppm2 1.971 CV 1 ASSI { 2421} (( segid " " and resid 1885 and name HB3 )) (( segid " " and resid 1885 and name HB2 )) 2.100 0.600 0.600 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.35831E-02 ppm1 1.281 ppm2 1.858 CV 1 ASSI { 2422} (( segid " " and resid 1896 and name HB2 )) (( segid " " and resid 1896 and name HB3 )) 2.300 0.700 0.700 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.28245E-02 ppm1 1.366 ppm2 1.800 CV 1 ASSI { 2423} (( segid " " and resid 1882 and name HA )) (( segid " " and resid 1882 and name HB3 )) 2.600 0.800 0.800 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.23207E-02 ppm1 3.963 ppm2 1.970 CV 1 ASSI { 2424} (( segid " " and resid 1896 and name HA )) (( segid " " and resid 1896 and name HB3 )) 2.500 0.800 0.800 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.40928E-02 ppm1 3.961 ppm2 1.809 CV 1 ASSI { 2425} (( segid " " and resid 1882 and name HA )) (( segid " " and resid 1882 and name HG )) 2.900 1.100 1.100 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.19999E-02 ppm1 3.965 ppm2 1.707 CV 1 ASSI { 2426} (( segid " " and resid 1896 and name HA )) (( segid " " and resid 1857 and name HG2 )) 3.300 1.300 1.300 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.78860E-03 ppm1 3.964 ppm2 2.345 CV 1 ASSI { 2427} (( segid " " and resid 1896 and name HA )) (( segid " " and resid 1899 and name HB2 )) 3.000 1.100 1.100 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 3.955 ppm2 2.180 CV 1 ASSI { 2428} (( segid " " and resid 1896 and name HA )) (( segid " " and resid 1899 and name HB3 )) 4.000 2.000 2.000 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.12354E-02 ppm1 3.962 ppm2 2.089 CV 1 ASSI { 2429} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1923 and name HB2 )) 3.600 1.600 1.600 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.96547E-03 ppm1 0.852 ppm2 2.394 CV 1 ASSI { 2430} (( segid " " and resid 1896 and name HA )) (( segid " " and resid 1857 and name HG3 )) 4.800 2.900 1.200 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.38679E-03 ppm1 3.955 ppm2 2.874 CV 1 ASSI { 2431} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1857 and name HG3 )) 5.300 3.500 0.700 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.29984E-03 ppm1 0.857 ppm2 2.883 CV 1 ASSI { 2432} (( segid " " and resid 1882 and name HA )) (( segid " " and resid 1871 and name HA )) 3.800 1.800 1.800 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.82754E-03 ppm1 3.962 ppm2 3.685 CV 1 ASSI { 2433} (( segid " " and resid 1896 and name HB2 )) (( segid " " and resid 1893 and name HA )) 3.400 1.400 1.400 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.60867E-03 ppm1 1.364 ppm2 3.817 CV 1 ASSI { 2436} (( segid " " and resid 1896 and name HG )) (( segid " " and resid 1896 and name HA )) 3.400 1.400 1.400 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 1.384 ppm2 3.956 CV 1 ASSI { 2437} ( segid " " and resid 1957 and name HG2%) (( segid " " and resid 1926 and name HA3 )) 2.100 0.600 0.600 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.97056E-02 ppm1 0.893 ppm2 3.934 CV 1 ASSI { 2438} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1897 and name HA )) 4.300 2.300 1.700 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.39879E-03 ppm1 0.847 ppm2 3.691 CV 1 ASSI { 2439} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1920 and name HA )) 3.400 1.500 1.500 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.11034E-02 ppm1 0.856 ppm2 3.599 CV 1 ASSI { 2440} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1961 and name HA )) 3.900 1.900 1.900 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.57569E-03 ppm1 0.858 ppm2 3.483 CV 1 ASSI { 2441} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1860 and name HB )) 3.900 1.900 1.900 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.75262E-03 ppm1 0.854 ppm2 4.091 CV 1 ASSI { 2442} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1861 and name HA )) 2.700 0.900 0.900 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.31123E-02 ppm1 0.856 ppm2 3.921 CV 1 ASSI { 2443} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1893 and name HA )) 3.100 1.200 1.200 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.17361E-02 ppm1 0.854 ppm2 3.823 CV 1 ASSI { 2444} ( segid " " and resid 1896 and name HD1%) ( segid " " and resid 1893 and name HD% ) 3.300 1.400 1.400 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.10255E-02 ppm1 0.853 ppm2 6.782 CV 1 ASSI { 2445} ( segid " " and resid 1896 and name HD1%) ( segid " " and resid 1893 and name HE% ) 3.200 3.200 2.800 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.15502E-02 ppm1 0.856 ppm2 6.645 CV 1 ASSI { 2446} (( segid " " and resid 1882 and name HA )) (( segid " " and resid 1885 and name H )) 3.400 1.400 1.400 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.95646E-03 ppm1 3.967 ppm2 7.246 CV 1 ASSI { 2448} (( segid " " and resid 1882 and name HA )) (( segid " " and resid 1882 and name H )) 2.600 0.900 0.900 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.29144E-02 ppm1 3.964 ppm2 7.832 CV 1 ASSI { 2449} (( segid " " and resid 1896 and name HA )) (( segid " " and resid 1895 and name H )) 4.500 2.600 1.500 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.49773E-03 ppm1 3.959 ppm2 7.720 CV 1 ASSI { 2450} (( segid " " and resid 1896 and name HA )) (( segid " " and resid 1899 and name H )) 3.500 1.500 1.500 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.63566E-03 ppm1 3.956 ppm2 7.621 CV 1 ASSI { 2451} (( segid " " and resid 1896 and name HB2 )) (( segid " " and resid 1896 and name H )) 2.800 1.000 1.000 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.14542E-02 ppm1 1.366 ppm2 8.097 CV 1 ASSI { 2452} (( segid " " and resid 1896 and name HB2 )) (( segid " " and resid 1898 and name H )) 4.800 2.900 1.200 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.26686E-03 ppm1 1.360 ppm2 7.844 CV 1 ASSI { 2455} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1860 and name H )) 4.600 2.700 1.400 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.46775E-03 ppm1 0.855 ppm2 8.184 CV 1 ASSI { 2456} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1896 and name H )) 3.700 1.700 1.700 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.15352E-02 ppm1 0.856 ppm2 8.098 CV 1 ASSI { 2458} (( segid " " and resid 1896 and name HG )) (( segid " " and resid 1896 and name H )) 3.500 1.500 1.500 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.72559E-03 ppm1 1.396 ppm2 8.101 CV 1 ASSI { 2459} (( segid " " and resid 1947 and name HG3 )) (( segid " " and resid 1951 and name H )) 4.300 2.300 1.700 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.48274E-03 ppm1 1.414 ppm2 8.097 CV 1 ASSI { 2460} ( segid " " and resid 1896 and name HD2%) (( segid " " and resid 1860 and name H )) 4.000 2.000 2.000 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 0.891 ppm2 8.193 CV 1 ASSI { 2461} ( segid " " and resid 1896 and name HD2%) (( segid " " and resid 1896 and name H )) 3.700 1.700 1.700 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.14032E-02 ppm1 0.891 ppm2 8.100 CV 1 ASSI { 2464} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1897 and name H )) 3.600 1.600 1.600 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.13943E-02 ppm1 0.856 ppm2 8.494 CV 1 ASSI { 2465} ( segid " " and resid 1896 and name HD2%) (( segid " " and resid 1897 and name H )) 4.100 2.100 1.900 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.86951E-03 ppm1 0.894 ppm2 8.498 CV 1 ASSI { 2466} (( segid " " and resid 1896 and name HG )) (( segid " " and resid 1897 and name H )) 4.200 2.200 1.800 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.51872E-03 ppm1 1.390 ppm2 8.490 CV 1 ASSI { 2467} (( segid " " and resid 1901 and name HB3 )) (( segid " " and resid 1901 and name HD3 )) 2.400 0.700 0.700 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.74541E-02 ppm1 1.819 ppm2 1.734 CV 1 OR { 2467} (( segid " " and resid 1901 and name HB3 )) (( segid " " and resid 1901 and name HD2 )) ASSI { 2469} (( segid " " and resid 1901 and name HB3 )) (( segid " " and resid 1901 and name HG3 )) 3.000 1.200 1.200 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.22728E-02 ppm1 1.825 ppm2 1.384 CV 1 ASSI { 2470} (( segid " " and resid 1901 and name HB2 )) ( segid " " and resid 1900 and name HB% ) 3.600 1.600 1.600 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.14632E-02 ppm1 1.985 ppm2 1.396 CV 1 ASSI { 2472} (( segid " " and resid 1901 and name HB3 )) ( segid " " and resid 1838 and name HD2%) 3.400 1.400 1.400 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.20149E-02 ppm1 1.824 ppm2 0.944 CV 1 ASSI { 2473} (( segid " " and resid 1901 and name HB3 )) (( segid " " and resid 1901 and name HB2 )) 1.900 0.500 0.500 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.65305E-02 ppm1 1.824 ppm2 1.956 CV 1 ASSI { 2475} (( segid " " and resid 1901 and name HD2 )) (( segid " " and resid 1901 and name HG3 )) 2.500 0.800 0.800 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.45216E-02 ppm1 1.731 ppm2 1.381 CV 1 OR { 2475} (( segid " " and resid 1901 and name HD3 )) (( segid " " and resid 1901 and name HG3 )) ASSI { 2478} (( segid " " and resid 1874 and name HE3 )) (( segid " " and resid 1874 and name HG2 )) 2.000 0.500 0.500 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.68845E-02 ppm1 2.946 ppm2 1.429 CV 1 ASSI { 2479} (( segid " " and resid 1901 and name HE2 )) (( segid " " and resid 1901 and name HG3 )) 3.100 1.200 1.200 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.22817E-02 ppm1 2.979 ppm2 1.376 CV 1 OR { 2479} (( segid " " and resid 1901 and name HE3 )) (( segid " " and resid 1901 and name HG3 )) ASSI { 2480} (( segid " " and resid 1948 and name HG3 )) (( segid " " and resid 1948 and name HB3 )) 2.500 0.800 0.800 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.42037E-02 ppm1 1.563 ppm2 1.903 CV 1 OR { 2480} (( segid " " and resid 1948 and name HG3 )) (( segid " " and resid 1948 and name HB2 )) ASSI { 2481} (( segid " " and resid 1901 and name HG2 )) ( segid " " and resid 1838 and name HD2%) 3.000 1.100 1.100 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.12293E-02 ppm1 1.532 ppm2 0.942 CV 1 ASSI { 2482} (( segid " " and resid 1901 and name HE3 )) ( segid " " and resid 1838 and name HD2%) 2.700 2.700 3.300 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.17541E-02 ppm1 2.985 ppm2 0.940 CV 1 ASSI { 2483} (( segid " " and resid 1901 and name HB3 )) (( segid " " and resid 1901 and name HE2 )) 3.500 1.500 1.500 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.95350E-03 ppm1 1.829 ppm2 2.982 CV 1 OR { 2483} (( segid " " and resid 1901 and name HB3 )) (( segid " " and resid 1901 and name HE3 )) ASSI { 2484} (( segid " " and resid 1901 and name HD2 )) (( segid " " and resid 1901 and name HE3 )) 2.800 1.000 1.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.26686E-02 ppm1 1.730 ppm2 2.977 CV 1 OR { 2484} (( segid " " and resid 1901 and name HD3 )) (( segid " " and resid 1901 and name HE2 )) OR { 2484} (( segid " " and resid 1901 and name HD2 )) (( segid " " and resid 1901 and name HE2 )) OR { 2484} (( segid " " and resid 1901 and name HD3 )) (( segid " " and resid 1901 and name HE3 )) ASSI { 2485} (( segid " " and resid 1901 and name HG2 )) (( segid " " and resid 1901 and name HE2 )) 3.100 1.200 1.200 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.12293E-02 ppm1 1.533 ppm2 2.976 CV 1 OR { 2485} (( segid " " and resid 1901 and name HG2 )) (( segid " " and resid 1901 and name HE3 )) ASSI { 2486} (( segid " " and resid 1917 and name HD3 )) (( segid " " and resid 1917 and name HE2 )) 3.100 1.200 1.200 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.11964E-02 ppm1 1.705 ppm2 2.758 CV 1 ASSI { 2487} (( segid " " and resid 1917 and name HD3 )) (( segid " " and resid 1917 and name HE3 )) 3.400 1.400 1.400 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.12204E-02 ppm1 1.711 ppm2 2.871 CV 1 ASSI { 2488} (( segid " " and resid 1901 and name HB3 )) (( segid " " and resid 1901 and name HA )) 2.500 0.800 0.800 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.39758E-02 ppm1 1.824 ppm2 4.047 CV 1 ASSI { 2489} (( segid " " and resid 1911 and name HB2 )) (( segid " " and resid 1911 and name HA )) 2.600 0.800 0.800 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.77026E-02 ppm1 1.979 ppm2 3.995 CV 1 ASSI { 2490} (( segid " " and resid 1901 and name HD3 )) (( segid " " and resid 1901 and name HA )) 3.700 1.700 1.700 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.15981E-02 ppm1 1.720 ppm2 4.064 CV 1 OR { 2490} (( segid " " and resid 1901 and name HD2 )) (( segid " " and resid 1901 and name HA )) ASSI { 2495} (( segid " " and resid 1901 and name HD3 )) (( segid " " and resid 1901 and name H )) 4.400 2.400 1.600 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.46475E-03 ppm1 1.737 ppm2 7.043 CV 1 OR { 2495} (( segid " " and resid 1901 and name HD2 )) (( segid " " and resid 1901 and name H )) ASSI { 2496} (( segid " " and resid 1901 and name HG3 )) (( segid " " and resid 1901 and name H )) 3.700 1.700 1.700 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.39879E-03 ppm1 1.373 ppm2 7.036 CV 1 ASSI { 2498} (( segid " " and resid 1900 and name HA )) (( segid " " and resid 1897 and name HA )) 4.700 2.700 1.300 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.38379E-03 ppm1 3.855 ppm2 3.677 CV 1 ASSI { 2499} (( segid " " and resid 1853 and name HA )) (( segid " " and resid 1853 and name HB2 )) 3.100 1.200 1.200 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.24527E-02 ppm1 4.107 ppm2 2.820 CV 1 ASSI { 2500} (( segid " " and resid 1853 and name HA )) (( segid " " and resid 1853 and name HB3 )) 2.800 1.000 1.000 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.20209E-02 ppm1 4.107 ppm2 2.537 CV 1 ASSI { 2502} (( segid " " and resid 1830 and name HB3 )) ( segid " " and resid 1890 and name HG2%) 2.900 1.000 1.000 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.25156E-02 ppm1 3.965 ppm2 1.265 CV 1 ASSI { 2505} (( segid " " and resid 1898 and name HA )) (( segid " " and resid 1898 and name HB3 )) 2.300 0.600 0.600 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.10593E-01 ppm1 4.158 ppm2 3.994 CV 1 OR { 2505} (( segid " " and resid 1898 and name HA )) (( segid " " and resid 1898 and name HB2 )) ASSI { 2506} (( segid " " and resid 1898 and name HB2 )) (( segid " " and resid 1899 and name H )) 2.900 1.000 1.000 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.25366E-02 ppm1 3.996 ppm2 7.624 CV 1 OR { 2506} (( segid " " and resid 1898 and name HB3 )) (( segid " " and resid 1899 and name H )) ASSI { 2508} (( segid " " and resid 1830 and name HB2 )) (( segid " " and resid 1831 and name H )) 3.300 1.400 1.400 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.10884E-02 ppm1 4.033 ppm2 8.307 CV 1 ASSI { 2510} (( segid " " and resid 1898 and name HB2 )) (( segid " " and resid 1897 and name H )) 4.200 2.300 1.800 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.68665E-03 ppm1 3.996 ppm2 8.488 CV 1 ASSI { 2511} (( segid " " and resid 1897 and name HA )) (( segid " " and resid 1897 and name H )) 2.700 0.900 0.900 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.25636E-02 ppm1 3.683 ppm2 8.490 CV 1 ASSI { 2512} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1897 and name H )) 2.200 0.600 0.600 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.89770E-02 ppm1 0.992 ppm2 8.490 CV 1 ASSI { 2513} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1896 and name H )) 3.900 1.900 1.900 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.11004E-02 ppm1 0.989 ppm2 8.085 CV 1 ASSI { 2515} (( segid " " and resid 1897 and name HA )) (( segid " " and resid 1899 and name H )) 4.000 2.000 2.000 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.45875E-03 ppm1 3.679 ppm2 7.618 CV 1 ASSI { 2516} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1898 and name H )) 2.600 0.800 0.800 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.48364E-02 ppm1 0.991 ppm2 7.851 CV 1 ASSI { 2517} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1834 and name H )) 3.200 3.200 2.800 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.54871E-03 ppm1 0.992 ppm2 7.765 CV 1 ASSI { 2519} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1837 and name HE21)) 3.500 1.600 1.600 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.60867E-03 ppm1 0.993 ppm2 7.438 CV 1 ASSI { 2520} ( segid " " and resid 1897 and name HB% ) ( segid " " and resid 1893 and name HE% ) 3.200 1.300 1.300 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.22068E-02 ppm1 0.992 ppm2 6.644 CV 1 ASSI { 2521} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1898 and name HB2 )) 3.400 1.400 1.400 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.15831E-02 ppm1 0.993 ppm2 3.993 CV 1 ASSI { 2522} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1897 and name HA )) 2.100 0.600 0.600 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.99933E-02 ppm1 0.991 ppm2 3.680 CV 1 ASSI { 2523} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1894 and name HA2 )) 2.700 0.900 0.900 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.23507E-02 ppm1 0.990 ppm2 3.378 CV 1 ASSI { 2525} (( segid " " and resid 1897 and name HA )) ( segid " " and resid 1834 and name HB% ) 5.000 3.100 1.000 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.38679E-03 ppm1 3.682 ppm2 1.584 CV 1 ASSI { 2526} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1838 and name HG )) 3.100 1.200 1.200 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.16551E-02 ppm1 0.991 ppm2 1.871 CV 1 ASSI { 2527} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1896 and name HB3 )) 3.600 1.600 1.600 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.16071E-02 ppm1 0.989 ppm2 1.802 CV 1 ASSI { 2529} ( segid " " and resid 1897 and name HB% ) ( segid " " and resid 1900 and name HB% ) 3.200 1.300 1.300 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.28364E-02 ppm1 0.992 ppm2 1.389 CV 1 ASSI { 2532} (( segid " " and resid 1897 and name HA )) ( segid " " and resid 1920 and name HG1%) 2.300 0.700 0.700 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.50583E-02 ppm1 3.683 ppm2 0.806 CV 1 ASSI { 2533} ( segid " " and resid 1897 and name HB% ) ( segid " " and resid 1920 and name HG1%) 3.300 1.400 1.400 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.16102E-02 ppm1 0.992 ppm2 0.805 CV 1 ASSI { 2535} ( segid " " and resid 1896 and name HD2%) (( segid " " and resid 1860 and name HB )) 2.500 0.800 0.800 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.37390E-02 ppm1 0.891 ppm2 4.089 CV 1 ASSI { 2537} (( segid " " and resid 1894 and name HA2 )) (( segid " " and resid 1893 and name H )) 5.500 3.700 0.500 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.23687E-03 ppm1 3.388 ppm2 9.123 CV 1 ASSI { 2538} (( segid " " and resid 1894 and name HA2 )) (( segid " " and resid 1897 and name H )) 3.600 1.600 1.600 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.60268E-03 ppm1 3.376 ppm2 8.488 CV 1 ASSI { 2540} (( segid " " and resid 1894 and name HA3 )) (( segid " " and resid 1894 and name H )) 2.400 0.700 0.700 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.47794E-02 ppm1 3.909 ppm2 8.064 CV 1 ASSI { 2541} (( segid " " and resid 1894 and name HA2 )) (( segid " " and resid 1898 and name H )) 4.100 2.100 1.900 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.28485E-03 ppm1 3.379 ppm2 7.848 CV 1 ASSI { 2542} (( segid " " and resid 1894 and name HA2 )) (( segid " " and resid 1895 and name H )) 3.500 1.500 1.500 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.12683E-02 ppm1 3.384 ppm2 7.707 CV 1 ASSI { 2544} (( segid " " and resid 1894 and name HA2 )) ( segid " " and resid 1893 and name HD% ) 3.900 1.900 1.900 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.29684E-03 ppm1 3.383 ppm2 6.779 CV 1 ASSI { 2545} (( segid " " and resid 1894 and name HA3 )) ( segid " " and resid 1893 and name HD% ) 4.800 2.900 1.200 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.26986E-03 ppm1 3.912 ppm2 6.789 CV 1 ASSI { 2546} (( segid " " and resid 1894 and name HA2 )) (( segid " " and resid 1891 and name HA )) 4.700 2.700 1.300 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.49773E-03 ppm1 3.386 ppm2 4.171 CV 1 ASSI { 2547} (( segid " " and resid 1894 and name HA3 )) (( segid " " and resid 1891 and name HA )) 3.500 1.600 1.600 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.67763E-03 ppm1 3.912 ppm2 4.160 CV 1 ASSI { 2549} (( segid " " and resid 1894 and name HA2 )) (( segid " " and resid 1893 and name HB3 )) 4.100 2.100 1.900 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.36281E-03 ppm1 3.389 ppm2 2.854 CV 1 ASSI { 2550} (( segid " " and resid 1894 and name HA3 )) (( segid " " and resid 1893 and name HB3 )) 4.600 2.600 1.400 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.35981E-03 ppm1 3.916 ppm2 2.851 CV 1 ASSI { 2553} (( segid " " and resid 1926 and name HA3 )) ( segid " " and resid 1923 and name HD2%) 3.200 1.300 1.300 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.16011E-02 ppm1 3.914 ppm2 0.990 CV 1 ASSI { 2554} (( segid " " and resid 1836 and name HB2 )) ( segid " " and resid 1832 and name HG2%) 4.100 2.100 1.900 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.80353E-03 ppm1 2.846 ppm2 1.182 CV 1 ASSI { 2556} (( segid " " and resid 1893 and name HB3 )) ( segid " " and resid 1864 and name HG2%) 3.900 1.900 1.900 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.12503E-02 ppm1 2.852 ppm2 0.808 CV 1 ASSI { 2557} (( segid " " and resid 1893 and name HB3 )) ( segid " " and resid 1831 and name HD1%) 4.400 2.400 1.600 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.32982E-03 ppm1 2.853 ppm2 0.646 CV 1 ASSI { 2559} (( segid " " and resid 1893 and name HB2 )) ( segid " " and resid 1864 and name HG2%) 3.100 1.200 1.200 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 3.066 ppm2 0.820 CV 1 ASSI { 2560} (( segid " " and resid 1893 and name HB2 )) ( segid " " and resid 1831 and name HD1%) 4.600 2.600 1.400 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.39879E-03 ppm1 3.063 ppm2 0.632 CV 1 ASSI { 2561} (( segid " " and resid 1836 and name HB2 )) (( segid " " and resid 1835 and name HB )) 4.300 2.300 1.700 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.71059E-03 ppm1 2.850 ppm2 1.930 CV 1 ASSI { 2562} (( segid " " and resid 1893 and name HB2 )) (( segid " " and resid 1893 and name HB3 )) 2.100 0.600 0.600 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.48364E-02 ppm1 3.063 ppm2 2.849 CV 1 ASSI { 2567} (( segid " " and resid 1836 and name HB3 )) (( segid " " and resid 1837 and name HA )) 3.700 1.700 1.700 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.76459E-03 ppm1 2.852 ppm2 4.113 CV 1 OR { 2567} (( segid " " and resid 1836 and name HB2 )) (( segid " " and resid 1837 and name HA )) ASSI { 2570} (( segid " " and resid 1893 and name HB2 )) (( segid " " and resid 1893 and name HA )) 2.700 0.900 0.900 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.22758E-02 ppm1 3.064 ppm2 3.816 CV 1 ASSI { 2571} (( segid " " and resid 1893 and name HB2 )) (( segid " " and resid 1890 and name HA )) 4.100 2.100 1.900 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.57569E-03 ppm1 3.068 ppm2 3.548 CV 1 ASSI { 2575} (( segid " " and resid 1893 and name HB2 )) ( segid " " and resid 1893 and name HD% ) 3.100 1.200 1.200 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.14032E-02 ppm1 3.064 ppm2 6.793 CV 1 ASSI { 2576} (( segid " " and resid 1893 and name HB2 )) ( segid " " and resid 1893 and name HE% ) 4.300 2.400 1.700 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.63566E-03 ppm1 3.067 ppm2 6.645 CV 1 ASSI { 2578} (( segid " " and resid 1893 and name HB3 )) ( segid " " and resid 1893 and name HE% ) 4.900 3.000 1.100 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.34182E-03 ppm1 2.860 ppm2 6.646 CV 1 ASSI { 2579} (( segid " " and resid 1893 and name HA )) ( segid " " and resid 1893 and name HE% ) 4.300 2.300 1.700 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.62067E-03 ppm1 3.828 ppm2 6.650 CV 1 ASSI { 2580} (( segid " " and resid 1836 and name HB2 )) (( segid " " and resid 1836 and name H )) 2.300 0.700 0.700 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.49383E-02 ppm1 2.849 ppm2 8.273 CV 1 ASSI { 2582} (( segid " " and resid 1893 and name HB2 )) (( segid " " and resid 1894 and name H )) 4.100 2.100 1.900 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.10854E-02 ppm1 3.063 ppm2 8.063 CV 1 ASSI { 2588} (( segid " " and resid 1852 and name HB2 )) ( segid " " and resid 1851 and name HG1%) 3.900 2.000 2.000 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.54271E-03 ppm1 2.351 ppm2 1.021 CV 1 ASSI { 2589} (( segid " " and resid 1852 and name HB2 )) ( segid " " and resid 1851 and name HG2%) 4.600 2.700 1.400 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.34182E-03 ppm1 2.348 ppm2 0.906 CV 1 ASSI { 2591} (( segid " " and resid 1892 and name HB2 )) ( segid " " and resid 1864 and name HD1%) 5.100 3.300 0.900 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.32682E-03 ppm1 2.341 ppm2 0.715 CV 1 ASSI { 2592} (( segid " " and resid 1892 and name HA )) ( segid " " and resid 1864 and name HG2%) 4.600 2.700 1.400 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.68961E-03 ppm1 4.536 ppm2 0.815 CV 1 ASSI { 2593} (( segid " " and resid 1892 and name HA )) ( segid " " and resid 1860 and name HG2%) 3.000 1.100 1.100 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 4.532 ppm2 1.156 CV 1 ASSI { 2594} (( segid " " and resid 1892 and name HA )) (( segid " " and resid 1895 and name HG3 )) 3.500 1.500 1.500 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.68066E-03 ppm1 4.534 ppm2 1.551 CV 1 ASSI { 2596} (( segid " " and resid 1892 and name HB3 )) ( segid " " and resid 1863 and name HB% ) 3.800 1.800 1.800 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.37180E-03 ppm1 2.770 ppm2 1.529 CV 1 ASSI { 2597} (( segid " " and resid 1892 and name HA )) (( segid " " and resid 1895 and name HB3 )) 3.400 1.500 1.500 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.31123E-02 ppm1 4.531 ppm2 1.978 CV 1 ASSI { 2598} (( segid " " and resid 1892 and name HA )) (( segid " " and resid 1895 and name HG2 )) 3.900 1.900 1.900 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 4.530 ppm2 1.774 CV 1 ASSI { 2600} (( segid " " and resid 1892 and name HB3 )) (( segid " " and resid 1864 and name HG13)) 5.000 3.200 1.000 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.71960E-03 ppm1 2.757 ppm2 2.013 CV 1 ASSI { 2602} (( segid " " and resid 1892 and name HA )) (( segid " " and resid 1892 and name HB2 )) 3.000 1.200 1.200 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.26775E-02 ppm1 4.531 ppm2 2.338 CV 1 ASSI { 2603} (( segid " " and resid 1852 and name HB2 )) (( segid " " and resid 1852 and name HB3 )) 1.900 0.500 0.500 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.91842E-02 ppm1 2.352 ppm2 2.537 CV 1 ASSI { 2604} (( segid " " and resid 1892 and name HA )) (( segid " " and resid 1892 and name HB3 )) 2.800 0.900 0.900 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.21708E-02 ppm1 4.531 ppm2 2.758 CV 1 ASSI { 2605} (( segid " " and resid 1813 and name HA )) (( segid " " and resid 1813 and name HB2 )) 3.000 1.200 1.200 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.23867E-02 ppm1 4.590 ppm2 3.172 CV 1 ASSI { 2606} (( segid " " and resid 1892 and name HB2 )) (( segid " " and resid 1864 and name HA )) 3.400 1.500 1.500 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.86655E-03 ppm1 2.340 ppm2 3.905 CV 1 ASSI { 2607} (( segid " " and resid 1892 and name HB2 )) (( segid " " and resid 1893 and name HA )) 4.400 2.400 1.600 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.33282E-03 ppm1 2.344 ppm2 3.806 CV 1 ASSI { 2609} (( segid " " and resid 1852 and name HB2 )) (( segid " " and resid 1852 and name HA )) 2.600 0.800 0.800 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.38230E-02 ppm1 2.352 ppm2 4.245 CV 1 ASSI { 2610} (( segid " " and resid 1852 and name HB2 )) (( segid " " and resid 1849 and name HB2 )) 3.800 1.800 1.800 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.58768E-03 ppm1 2.351 ppm2 4.083 CV 1 ASSI { 2615} (( segid " " and resid 1852 and name HB2 )) (( segid " " and resid 1853 and name H )) 4.100 2.100 1.900 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.12054E-02 ppm1 2.351 ppm2 7.189 CV 1 ASSI { 2617} (( segid " " and resid 1909 and name HB2 )) (( segid " " and resid 1909 and name H )) 3.200 1.300 1.300 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.76459E-03 ppm1 2.685 ppm2 7.409 CV 1 ASSI { 2619} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1909 and name H )) 3.800 1.800 1.800 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.89351E-03 ppm1 2.905 ppm2 7.407 CV 1 ASSI { 2620} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1909 and name HD22)) 3.700 1.700 1.700 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.18320E-02 ppm1 2.907 ppm2 7.709 CV 1 ASSI { 2621} (( segid " " and resid 1909 and name HB2 )) (( segid " " and resid 1912 and name H )) 4.000 2.000 2.000 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.53371E-03 ppm1 2.687 ppm2 7.950 CV 1 ASSI { 2622} (( segid " " and resid 1892 and name HB2 )) (( segid " " and resid 1864 and name H )) 5.400 3.700 0.600 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.38080E-03 ppm1 2.333 ppm2 8.030 CV 1 ASSI { 2629} (( segid " " and resid 1892 and name HA )) (( segid " " and resid 1893 and name H )) 3.600 1.600 1.600 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.80057E-03 ppm1 4.528 ppm2 9.133 CV 1 ASSI { 2630} (( segid " " and resid 1928 and name HB3 )) (( segid " " and resid 1924 and name HA2 )) 3.600 3.600 2.400 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.82754E-03 ppm1 3.892 ppm2 2.233 CV 1 ASSI { 2632} (( segid " " and resid 1891 and name HB2 )) (( segid " " and resid 1891 and name HA )) 2.500 0.800 0.800 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.47644E-02 ppm1 3.896 ppm2 4.175 CV 1 ASSI { 2633} (( segid " " and resid 1891 and name HB3 )) (( segid " " and resid 1892 and name HA )) 4.200 2.200 1.800 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.46175E-03 ppm1 3.946 ppm2 4.534 CV 1 ASSI { 2634} (( segid " " and resid 1928 and name HB3 )) (( segid " " and resid 1929 and name H )) 2.900 1.000 1.000 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 3.893 ppm2 7.255 CV 1 ASSI { 2635} (( segid " " and resid 1891 and name HB3 )) (( segid " " and resid 1892 and name H )) 2.700 0.900 0.900 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.33192E-02 ppm1 3.943 ppm2 8.760 CV 1 ASSI { 2636} (( segid " " and resid 1891 and name HB2 )) (( segid " " and resid 1892 and name H )) 3.000 1.100 1.100 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.34421E-02 ppm1 3.899 ppm2 8.758 CV 1 ASSI { 2637} (( segid " " and resid 1889 and name HA )) (( segid " " and resid 1893 and name H )) 3.800 1.800 1.800 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 4.286 ppm2 9.131 CV 1 ASSI { 2639} (( segid " " and resid 1889 and name HA )) (( segid " " and resid 1889 and name H )) 2.700 0.900 0.900 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.23448E-02 ppm1 4.286 ppm2 8.605 CV 1 ASSI { 2642} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1889 and name H )) 3.900 1.900 1.900 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.15891E-02 ppm1 1.013 ppm2 8.603 CV 1 ASSI { 2643} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1889 and name H )) 3.900 1.900 1.900 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.18380E-02 ppm1 0.856 ppm2 8.602 CV 1 ASSI { 2645} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1868 and name H )) 3.200 1.300 1.300 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.59668E-03 ppm1 0.859 ppm2 8.467 CV 1 ASSI { 2646} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1868 and name H )) 3.100 1.200 1.200 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.13013E-02 ppm1 1.008 ppm2 8.462 CV 1 ASSI { 2647} (( segid " " and resid 1889 and name HA )) (( segid " " and resid 1890 and name H )) 3.300 1.400 1.400 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.98646E-03 ppm1 4.286 ppm2 8.028 CV 1 ASSI { 2648} (( segid " " and resid 1889 and name HB2 )) (( segid " " and resid 1890 and name H )) 3.900 1.900 1.900 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.93252E-03 ppm1 1.592 ppm2 8.028 CV 1 ASSI { 2649} (( segid " " and resid 1889 and name HB3 )) (( segid " " and resid 1890 and name H )) 3.000 1.100 1.100 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.12803E-02 ppm1 1.954 ppm2 8.028 CV 1 ASSI { 2650} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1890 and name H )) 4.000 2.000 2.000 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.12083E-02 ppm1 1.015 ppm2 8.029 CV 1 ASSI { 2652} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1875 and name H )) 3.700 1.700 1.700 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 0.946 ppm2 8.115 CV 1 ASSI { 2653} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1867 and name H )) 4.100 2.100 1.900 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.69862E-03 ppm1 1.011 ppm2 8.219 CV 1 ASSI { 2654} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1890 and name H )) 4.000 2.000 2.000 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 0.857 ppm2 8.033 CV 1 ASSI { 2655} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1930 and name H )) 4.600 2.600 1.400 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.46775E-03 ppm1 0.856 ppm2 7.949 CV 1 ASSI { 2656} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1938 and name H )) 3.300 1.300 1.300 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.15981E-02 ppm1 0.947 ppm2 7.926 CV 1 ASSI { 2657} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1882 and name H )) 3.400 1.500 1.500 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.24497E-02 ppm1 0.949 ppm2 7.831 CV 1 ASSI { 2660} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1889 and name HA )) 2.200 0.600 0.600 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.77116E-02 ppm1 1.013 ppm2 4.281 CV 1 ASSI { 2661} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1864 and name HA )) 2.600 0.900 0.900 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.38439E-02 ppm1 1.014 ppm2 3.905 CV 1 ASSI { 2662} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1875 and name HA )) 2.500 0.800 0.800 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.61946E-02 ppm1 0.947 ppm2 3.725 CV 1 ASSI { 2665} (( segid " " and resid 1889 and name HB2 )) (( segid " " and resid 1886 and name HA )) 3.400 1.500 1.500 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 1.589 ppm2 3.864 CV 1 ASSI { 2666} (( segid " " and resid 1889 and name HA )) (( segid " " and resid 1864 and name HA )) 3.500 1.500 1.500 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.82458E-03 ppm1 4.285 ppm2 3.913 CV 1 ASSI { 2667} (( segid " " and resid 1889 and name HA )) (( segid " " and resid 1886 and name HA )) 4.100 2.100 1.900 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.78255E-03 ppm1 4.286 ppm2 3.870 CV 1 ASSI { 2668} (( segid " " and resid 1889 and name HA )) (( segid " " and resid 1892 and name HB3 )) 4.100 2.100 1.900 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.98047E-03 ppm1 4.288 ppm2 2.760 CV 1 ASSI { 2669} (( segid " " and resid 1889 and name HA )) (( segid " " and resid 1892 and name HB2 )) 3.000 1.100 1.100 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.10704E-02 ppm1 4.285 ppm2 2.359 CV 1 ASSI { 2674} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1892 and name HB3 )) 4.500 2.600 1.500 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.71059E-03 ppm1 1.019 ppm2 2.763 CV 1 ASSI { 2675} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1893 and name HB2 )) 3.800 1.800 1.800 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.52472E-03 ppm1 1.013 ppm2 3.052 CV 1 ASSI { 2676} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1927 and name HB2 )) 3.400 1.500 1.500 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.11154E-02 ppm1 0.856 ppm2 2.842 CV 1 ASSI { 2677} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1892 and name HB2 )) 3.300 1.400 1.400 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.16911E-02 ppm1 1.013 ppm2 2.360 CV 1 ASSI { 2678} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1864 and name HB )) 2.700 0.900 0.900 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 1.015 ppm2 2.230 CV 1 ASSI { 2679} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1864 and name HG13)) 3.500 1.600 1.600 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.18051E-02 ppm1 1.013 ppm2 2.034 CV 1 ASSI { 2680} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1889 and name HB3 )) 3.300 1.300 1.300 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.31213E-02 ppm1 1.015 ppm2 1.954 CV 1 ASSI { 2681} ( segid " " and resid 1889 and name HD1%) ( segid " " and resid 1871 and name HE% ) 3.500 1.500 1.500 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.16341E-02 ppm1 1.011 ppm2 1.807 CV 1 ASSI { 2683} (( segid " " and resid 1889 and name HB2 )) ( segid " " and resid 1871 and name HE% ) 3.800 1.800 1.800 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.47375E-03 ppm1 1.597 ppm2 1.808 CV 1 ASSI { 2685} (( segid " " and resid 1889 and name HA )) (( segid " " and resid 1889 and name HB3 )) 3.100 1.200 1.200 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.20029E-02 ppm1 4.284 ppm2 1.954 CV 1 ASSI { 2686} (( segid " " and resid 1889 and name HA )) (( segid " " and resid 1889 and name HB2 )) 2.500 0.800 0.800 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.30074E-02 ppm1 4.286 ppm2 1.586 CV 1 ASSI { 2687} (( segid " " and resid 1889 and name HB3 )) (( segid " " and resid 1889 and name HB2 )) 2.100 0.500 0.500 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.36490E-02 ppm1 1.956 ppm2 1.587 CV 1 ASSI { 2689} (( segid " " and resid 1889 and name HB2 )) ( segid " " and resid 1889 and name HD1%) 2.800 1.000 1.000 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.17001E-02 ppm1 1.590 ppm2 1.011 CV 1 ASSI { 2691} (( segid " " and resid 1889 and name HB2 )) ( segid " " and resid 1889 and name HD2%) 3.000 1.100 1.100 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.16971E-02 ppm1 1.592 ppm2 0.855 CV 1 ASSI { 2692} (( segid " " and resid 1889 and name HA )) ( segid " " and resid 1867 and name HG2%) 3.200 1.300 1.300 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.17780E-02 ppm1 4.284 ppm2 1.181 CV 1 ASSI { 2694} (( segid " " and resid 1889 and name HA )) ( segid " " and resid 1868 and name HG1%) 4.600 2.600 1.400 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.97146E-03 ppm1 4.282 ppm2 0.945 CV 1 ASSI { 2697} ( segid " " and resid 1889 and name HD1%) ( segid " " and resid 1864 and name HD1%) 2.100 0.600 0.600 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.10608E-01 ppm1 1.013 ppm2 0.717 CV 1 ASSI { 2700} ( segid " " and resid 1889 and name HD2%) ( segid " " and resid 1831 and name HD1%) 3.700 1.700 1.700 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.80958E-03 ppm1 0.853 ppm2 0.636 CV 1 ASSI { 2701} (( segid " " and resid 1888 and name HB3 )) ( segid " " and resid 1885 and name HD2%) 3.200 1.200 1.200 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.17630E-02 ppm1 2.234 ppm2 0.939 CV 1 ASSI { 2702} (( segid " " and resid 1888 and name HB3 )) ( segid " " and resid 1867 and name HG2%) 2.900 1.100 1.100 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.17031E-02 ppm1 2.235 ppm2 1.181 CV 1 OR { 2702} (( segid " " and resid 1888 and name HB2 )) ( segid " " and resid 1867 and name HG2%) ASSI { 2703} (( segid " " and resid 1888 and name HA )) ( segid " " and resid 1867 and name HG2%) 4.900 3.000 1.100 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.41678E-03 ppm1 3.936 ppm2 1.183 CV 1 ASSI { 2704} (( segid " " and resid 1888 and name HG2 )) ( segid " " and resid 1867 and name HG2%) 2.900 1.100 1.100 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.33822E-02 ppm1 2.376 ppm2 1.183 CV 1 OR { 2704} (( segid " " and resid 1888 and name HG3 )) ( segid " " and resid 1867 and name HG2%) ASSI { 2705} (( segid " " and resid 1888 and name HG3 )) ( segid " " and resid 1889 and name HD1%) 5.100 3.200 0.900 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.42577E-03 ppm1 2.372 ppm2 1.006 CV 1 ASSI { 2706} (( segid " " and resid 1871 and name HB2 )) (( segid " " and resid 1871 and name HB3 )) 2.100 0.500 0.500 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.48064E-02 ppm1 2.427 ppm2 1.834 CV 1 ASSI { 2708} (( segid " " and resid 1888 and name HA )) (( segid " " and resid 1888 and name HB2 )) 2.400 0.700 0.700 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.68665E-02 ppm1 3.939 ppm2 2.235 CV 1 OR { 2708} (( segid " " and resid 1888 and name HA )) (( segid " " and resid 1888 and name HB3 )) ASSI { 2710} (( segid " " and resid 1888 and name HG2 )) (( segid " " and resid 1888 and name HB3 )) 1.900 0.400 0.400 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.28056E-01 ppm1 2.376 ppm2 2.234 CV 1 OR { 2710} (( segid " " and resid 1888 and name HG3 )) (( segid " " and resid 1888 and name HB2 )) OR { 2710} (( segid " " and resid 1888 and name HG2 )) (( segid " " and resid 1888 and name HB2 )) OR { 2710} (( segid " " and resid 1888 and name HG3 )) (( segid " " and resid 1888 and name HB3 )) ASSI { 2712} (( segid " " and resid 1888 and name HA )) (( segid " " and resid 1887 and name HB2 )) 4.800 2.800 1.200 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.32083E-03 ppm1 3.940 ppm2 2.760 CV 1 ASSI { 2713} (( segid " " and resid 1888 and name HB2 )) (( segid " " and resid 1887 and name HB3 )) 4.400 2.400 1.600 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.30284E-03 ppm1 2.241 ppm2 2.870 CV 1 OR { 2713} (( segid " " and resid 1888 and name HB3 )) (( segid " " and resid 1887 and name HB3 )) ASSI { 2714} (( segid " " and resid 1888 and name HB2 )) (( segid " " and resid 1887 and name HB2 )) 5.000 3.100 1.000 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.19190E-03 ppm1 2.245 ppm2 2.776 CV 1 ASSI { 2715} (( segid " " and resid 1888 and name HB3 )) (( segid " " and resid 1885 and name HA )) 2.500 0.800 0.800 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.31303E-02 ppm1 2.235 ppm2 4.118 CV 1 ASSI { 2717} (( segid " " and resid 1888 and name HG3 )) (( segid " " and resid 1888 and name HA )) 2.400 0.700 0.700 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.73788E-02 ppm1 2.376 ppm2 3.935 CV 1 OR { 2717} (( segid " " and resid 1888 and name HG2 )) (( segid " " and resid 1888 and name HA )) ASSI { 2720} (( segid " " and resid 1888 and name HG2 )) (( segid " " and resid 1888 and name HE22)) 3.400 1.500 1.500 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.32352E-02 ppm1 2.376 ppm2 6.753 CV 1 OR { 2720} (( segid " " and resid 1888 and name HG3 )) (( segid " " and resid 1888 and name HE22)) ASSI { 2721} (( segid " " and resid 1888 and name HG2 )) (( segid " " and resid 1888 and name HE21)) 2.300 0.600 0.600 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.66412E-02 ppm1 2.377 ppm2 7.687 CV 1 OR { 2721} (( segid " " and resid 1888 and name HG3 )) (( segid " " and resid 1888 and name HE21)) ASSI { 2722} (( segid " " and resid 1888 and name HB3 )) (( segid " " and resid 1888 and name H )) 2.400 0.700 0.700 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.51722E-02 ppm1 2.236 ppm2 7.997 CV 1 OR { 2722} (( segid " " and resid 1888 and name HB2 )) (( segid " " and resid 1888 and name H )) ASSI { 2723} (( segid " " and resid 1888 and name HA )) (( segid " " and resid 1888 and name HE21)) 5.000 3.100 1.000 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.44076E-03 ppm1 3.937 ppm2 7.686 CV 1 ASSI { 2724} (( segid " " and resid 1888 and name HB3 )) (( segid " " and resid 1888 and name HE21)) 4.500 2.500 1.500 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.42277E-03 ppm1 2.247 ppm2 7.686 CV 1 OR { 2724} (( segid " " and resid 1888 and name HB2 )) (( segid " " and resid 1888 and name HE21)) ASSI { 2725} (( segid " " and resid 1888 and name HB3 )) (( segid " " and resid 1887 and name H )) 4.400 2.400 1.600 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.61767E-03 ppm1 2.234 ppm2 8.225 CV 1 ASSI { 2727} (( segid " " and resid 1888 and name HG3 )) (( segid " " and resid 1889 and name H )) 3.700 1.700 1.700 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.19309E-02 ppm1 2.375 ppm2 8.607 CV 1 ASSI { 2728} (( segid " " and resid 1888 and name HG2 )) (( segid " " and resid 1892 and name H )) 3.600 1.600 1.600 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.71059E-03 ppm1 2.378 ppm2 8.761 CV 1 OR { 2728} (( segid " " and resid 1888 and name HG3 )) (( segid " " and resid 1892 and name H )) ASSI { 2729} (( segid " " and resid 1888 and name HA )) (( segid " " and resid 1892 and name H )) 3.500 1.600 1.600 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.75861E-03 ppm1 3.943 ppm2 8.764 CV 1 ASSI { 2730} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1886 and name H )) 4.500 2.500 1.500 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.54271E-03 ppm1 2.759 ppm2 8.450 CV 1 ASSI { 2731} (( segid " " and resid 1887 and name HB3 )) (( segid " " and resid 1886 and name H )) 5.400 3.600 0.600 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.47974E-03 ppm1 2.879 ppm2 8.457 CV 1 ASSI { 2732} (( segid " " and resid 1887 and name HB3 )) (( segid " " and resid 1887 and name H )) 3.300 1.300 1.300 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.48484E-02 ppm1 2.881 ppm2 8.232 CV 1 ASSI { 2733} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1887 and name H )) 2.200 0.600 0.600 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.51692E-02 ppm1 2.759 ppm2 8.234 CV 1 ASSI { 2734} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1887 and name H )) 2.700 0.900 0.900 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.30943E-02 ppm1 4.414 ppm2 8.229 CV 1 ASSI { 2735} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1888 and name H )) 3.100 1.200 1.200 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.21049E-02 ppm1 2.761 ppm2 7.992 CV 1 ASSI { 2736} (( segid " " and resid 1887 and name HB3 )) (( segid " " and resid 1888 and name H )) 2.800 1.000 1.000 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.29564E-02 ppm1 2.880 ppm2 7.993 CV 1 ASSI { 2738} (( segid " " and resid 1887 and name HB3 )) (( segid " " and resid 1887 and name HD22)) 4.500 2.500 1.500 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.70763E-03 ppm1 2.874 ppm2 6.837 CV 1 ASSI { 2740} (( segid " " and resid 1887 and name HB3 )) (( segid " " and resid 1887 and name HA )) 2.600 0.900 0.900 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.41857E-02 ppm1 2.879 ppm2 4.410 CV 1 ASSI { 2741} (( segid " " and resid 1887 and name HB3 )) (( segid " " and resid 1884 and name HA )) 3.400 1.400 1.400 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.34482E-02 ppm1 2.881 ppm2 4.282 CV 1 ASSI { 2742} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1887 and name HA )) 2.600 0.900 0.900 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.41168E-02 ppm1 2.760 ppm2 4.410 CV 1 ASSI { 2743} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1884 and name HA )) 2.600 0.800 0.800 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.26865E-02 ppm1 2.759 ppm2 4.282 CV 1 ASSI { 2744} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1883 and name HA3 )) 3.300 3.300 2.700 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.45276E-03 ppm1 2.762 ppm2 4.102 CV 1 ASSI { 2745} (( segid " " and resid 1887 and name HB3 )) (( segid " " and resid 1888 and name HA )) 3.500 1.500 1.500 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.69263E-03 ppm1 2.887 ppm2 3.938 CV 1 ASSI { 2747} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1888 and name HA )) 4.100 2.100 1.900 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.38080E-03 ppm1 4.406 ppm2 3.926 CV 1 ASSI { 2750} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1827 and name HG3 )) 3.600 1.600 1.600 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.84852E-03 ppm1 4.415 ppm2 2.616 CV 1 OR { 2750} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1827 and name HG2 )) ASSI { 2751} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1887 and name HB3 )) 1.800 0.400 0.400 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.13679E-01 ppm1 2.762 ppm2 2.875 CV 1 ASSI { 2753} (( segid " " and resid 1887 and name HB3 )) (( segid " " and resid 1884 and name HB3 )) 4.600 2.700 1.400 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.64468E-03 ppm1 2.886 ppm2 2.366 CV 1 ASSI { 2754} (( segid " " and resid 1887 and name HB3 )) (( segid " " and resid 1888 and name HB2 )) 3.600 1.600 1.600 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.80656E-03 ppm1 2.883 ppm2 2.236 CV 1 ASSI { 2755} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1884 and name HB3 )) 4.600 2.600 1.400 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.47375E-03 ppm1 2.758 ppm2 2.369 CV 1 ASSI { 2758} (( segid " " and resid 1887 and name HB3 )) ( segid " " and resid 1827 and name HE% ) 4.000 2.000 2.000 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 2.879 ppm2 2.010 CV 1 ASSI { 2760} (( segid " " and resid 1887 and name HB3 )) ( segid " " and resid 1890 and name HG2%) 4.500 2.500 1.500 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.35381E-03 ppm1 2.877 ppm2 1.271 CV 1 ASSI { 2762} (( segid " " and resid 1887 and name HA )) ( segid " " and resid 1890 and name HG2%) 3.700 1.700 1.700 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.11783E-02 ppm1 4.414 ppm2 1.265 CV 1 ASSI { 2763} (( segid " " and resid 1887 and name HB2 )) ( segid " " and resid 1886 and name HB% ) 4.200 2.200 1.800 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.57869E-03 ppm1 2.759 ppm2 1.466 CV 1 ASSI { 2764} (( segid " " and resid 1887 and name HB2 )) ( segid " " and resid 1824 and name HG2%) 3.500 3.500 2.500 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.37180E-03 ppm1 2.756 ppm2 0.935 CV 1 ASSI { 2765} (( segid " " and resid 1887 and name HA )) ( segid " " and resid 1824 and name HG2%) 4.700 2.700 1.300 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.67461E-03 ppm1 4.411 ppm2 0.938 CV 1 ASSI { 2766} ( segid " " and resid 1886 and name HB% ) ( segid " " and resid 1824 and name HG2%) 2.300 2.300 3.700 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.82844E-02 ppm1 1.467 ppm2 0.943 CV 1 ASSI { 2767} (( segid " " and resid 1886 and name HA )) ( segid " " and resid 1889 and name HD2%) 3.200 1.300 1.300 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.21289E-02 ppm1 3.863 ppm2 0.860 CV 1 ASSI { 2770} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1931 and name HB )) 2.800 1.000 1.000 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.21349E-02 ppm1 1.468 ppm2 2.142 CV 1 ASSI { 2772} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1887 and name HB3 )) 4.900 2.900 1.100 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.58469E-03 ppm1 1.465 ppm2 2.868 CV 1 ASSI { 2773} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1931 and name HA )) 2.900 1.000 1.000 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.21978E-02 ppm1 1.468 ppm2 3.510 CV 1 ASSI { 2774} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1883 and name HA2 )) 2.700 0.900 0.900 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.25006E-02 ppm1 1.466 ppm2 3.720 CV 1 ASSI { 2776} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1887 and name HA )) 3.600 1.600 1.600 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 1.468 ppm2 4.405 CV 1 ASSI { 2778} (( segid " " and resid 1886 and name HA )) (( segid " " and resid 1890 and name HB )) 4.400 2.400 1.600 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.33282E-03 ppm1 3.855 ppm2 4.391 CV 1 ASSI { 2779} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1885 and name H )) 4.100 2.100 1.900 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.94147E-03 ppm1 1.468 ppm2 7.243 CV 1 ASSI { 2780} (( segid " " and resid 1886 and name HA )) (( segid " " and resid 1885 and name H )) 4.900 3.000 1.100 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.29384E-03 ppm1 3.867 ppm2 7.248 CV 1 ASSI { 2781} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1883 and name H )) 4.300 2.300 1.700 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.44376E-03 ppm1 1.463 ppm2 7.805 CV 1 ASSI { 2782} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1932 and name H )) 4.900 3.000 1.100 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.32982E-03 ppm1 1.466 ppm2 7.724 CV 1 ASSI { 2783} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1887 and name H )) 2.600 0.900 0.900 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.38319E-02 ppm1 1.468 ppm2 8.229 CV 1 ASSI { 2784} (( segid " " and resid 1886 and name HA )) (( segid " " and resid 1890 and name H )) 3.400 1.500 1.500 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.91154E-03 ppm1 3.871 ppm2 8.025 CV 1 ASSI { 2785} (( segid " " and resid 1886 and name HA )) (( segid " " and resid 1887 and name H )) 3.300 1.400 1.400 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.84254E-03 ppm1 3.868 ppm2 8.227 CV 1 ASSI { 2786} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1886 and name H )) 2.300 0.600 0.600 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.81409E-02 ppm1 1.467 ppm2 8.451 CV 1 ASSI { 2787} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1889 and name H )) 3.800 1.800 1.800 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.96850E-03 ppm1 1.465 ppm2 8.603 CV 1 ASSI { 2788} (( segid " " and resid 1886 and name HA )) (( segid " " and resid 1889 and name H )) 2.900 1.100 1.100 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.15952E-02 ppm1 3.862 ppm2 8.602 CV 1 ASSI { 2789} (( segid " " and resid 1886 and name HA )) (( segid " " and resid 1886 and name H )) 2.700 0.900 0.900 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.25876E-02 ppm1 3.863 ppm2 8.450 CV 1 ASSI { 2790} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1871 and name H )) 2.900 1.100 1.100 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 0.759 ppm2 8.467 CV 1 ASSI { 2791} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1874 and name H )) 4.300 2.300 1.700 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.65067E-03 ppm1 0.756 ppm2 8.843 CV 1 ASSI { 2792} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1870 and name H )) 3.200 1.300 1.300 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.56370E-03 ppm1 0.757 ppm2 8.339 CV 1 ASSI { 2795} (( segid " " and resid 1919 and name HA )) (( segid " " and resid 1919 and name H )) 2.800 1.000 1.000 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.18650E-02 ppm1 4.123 ppm2 8.619 CV 1 ASSI { 2797} ( segid " " and resid 1828 and name HG1%) (( segid " " and resid 1828 and name H )) 2.300 0.700 0.700 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.71510E-02 ppm1 0.937 ppm2 8.143 CV 1 ASSI { 2798} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1882 and name H )) 3.500 1.500 1.500 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.83057E-03 ppm1 0.760 ppm2 7.828 CV 1 ASSI { 2799} (( segid " " and resid 1837 and name HA )) (( segid " " and resid 1839 and name H )) 3.500 1.500 1.500 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.83057E-03 ppm1 4.120 ppm2 7.516 CV 1 ASSI { 2800} (( segid " " and resid 1837 and name HA )) (( segid " " and resid 1838 and name H )) 3.200 1.300 1.300 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.14242E-02 ppm1 4.125 ppm2 7.390 CV 1 ASSI { 2801} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1885 and name H )) 3.700 1.700 1.700 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.17091E-02 ppm1 0.756 ppm2 7.247 CV 1 ASSI { 2802} ( segid " " and resid 1885 and name HD2%) (( segid " " and resid 1885 and name H )) 3.300 1.400 1.400 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.24466E-02 ppm1 0.942 ppm2 7.247 CV 1 ASSI { 2803} (( segid " " and resid 1885 and name HB2 )) (( segid " " and resid 1885 and name H )) 3.000 1.100 1.100 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 1.876 ppm2 7.248 CV 1 ASSI { 2805} (( segid " " and resid 1885 and name HA )) (( segid " " and resid 1885 and name H )) 2.800 1.000 1.000 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.23177E-02 ppm1 4.118 ppm2 7.247 CV 1 ASSI { 2807} (( segid " " and resid 1885 and name HB2 )) (( segid " " and resid 1885 and name HA )) 3.500 1.600 1.600 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.86951E-03 ppm1 1.872 ppm2 4.117 CV 1 ASSI { 2808} (( segid " " and resid 1885 and name HB2 )) (( segid " " and resid 1882 and name HA )) 2.900 1.000 1.000 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 1.869 ppm2 3.961 CV 1 ASSI { 2812} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1882 and name HA )) 2.400 0.700 0.700 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.34182E-02 ppm1 0.755 ppm2 3.962 CV 1 ASSI { 2813} ( segid " " and resid 1885 and name HD2%) (( segid " " and resid 1885 and name HA )) 2.100 0.500 0.500 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.11352E-01 ppm1 0.940 ppm2 4.117 CV 1 ASSI { 2814} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1871 and name HA )) 2.300 0.600 0.600 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.46505E-02 ppm1 0.754 ppm2 3.677 CV 1 ASSI { 2816} (( segid " " and resid 1899 and name HA )) (( segid " " and resid 1902 and name HD3 )) 3.800 1.800 1.800 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 4.126 ppm2 3.290 CV 1 ASSI { 2817} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1871 and name HG3 )) 3.600 1.600 1.600 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.23298E-02 ppm1 0.751 ppm2 3.029 CV 1 ASSI { 2818} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1874 and name HE3 )) 3.000 3.000 3.000 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.94752E-03 ppm1 0.758 ppm2 2.945 CV 1 ASSI { 2819} (( segid " " and resid 1885 and name HB2 )) (( segid " " and resid 1871 and name HG3 )) 4.900 3.000 1.100 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.45276E-03 ppm1 1.879 ppm2 3.030 CV 1 ASSI { 2821} (( segid " " and resid 1919 and name HA )) (( segid " " and resid 1919 and name HD2 )) 3.200 1.300 1.300 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.24557E-02 ppm1 4.121 ppm2 3.045 CV 1 ASSI { 2822} (( segid " " and resid 1919 and name HA )) (( segid " " and resid 1919 and name HD3 )) 2.500 0.800 0.800 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.22698E-02 ppm1 4.122 ppm2 2.994 CV 1 ASSI { 2823} (( segid " " and resid 1837 and name HA )) (( segid " " and resid 1837 and name HG3 )) 3.500 1.600 1.600 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 4.120 ppm2 2.561 CV 1 ASSI { 2824} (( segid " " and resid 1882 and name HB2 )) (( segid " " and resid 1938 and name HB2 )) 4.100 2.100 1.900 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.61767E-03 ppm1 1.286 ppm2 2.201 CV 1 ASSI { 2825} (( segid " " and resid 1885 and name HB3 )) (( segid " " and resid 1871 and name HG2 )) 2.600 0.900 0.900 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.99547E-03 ppm1 1.284 ppm2 2.112 CV 1 ASSI { 2826} (( segid " " and resid 1885 and name HB2 )) (( segid " " and resid 1871 and name HG2 )) 3.400 1.500 1.500 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.64764E-03 ppm1 1.872 ppm2 2.111 CV 1 ASSI { 2827} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1871 and name HB2 )) 4.100 2.100 1.900 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.92048E-03 ppm1 0.750 ppm2 2.411 CV 1 ASSI { 2829} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1870 and name HG3 )) 2.500 0.800 0.800 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.39938E-02 ppm1 0.756 ppm2 2.242 CV 1 OR { 2829} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1870 and name HB3 )) ASSI { 2830} ( segid " " and resid 1885 and name HD2%) (( segid " " and resid 1870 and name HG2 )) 2.200 0.600 0.600 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.46145E-02 ppm1 0.940 ppm2 2.350 CV 1 ASSI { 2831} ( segid " " and resid 1885 and name HD2%) (( segid " " and resid 1870 and name HB3 )) 2.200 0.600 0.600 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.10851E-01 ppm1 0.940 ppm2 2.238 CV 1 ASSI { 2833} (( segid " " and resid 1919 and name HA )) (( segid " " and resid 1919 and name HB2 )) 2.900 1.000 1.000 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.25336E-02 ppm1 4.120 ppm2 1.776 CV 1 ASSI { 2834} (( segid " " and resid 1933 and name HA )) (( segid " " and resid 1933 and name HB3 )) 2.900 1.000 1.000 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.26596E-02 ppm1 4.123 ppm2 1.730 CV 1 ASSI { 2835} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1874 and name HD3 )) 4.000 2.000 2.000 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 0.751 ppm2 1.552 CV 1 ASSI { 2836} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1874 and name HG3 )) 2.100 0.600 0.600 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.40388E-02 ppm1 0.753 ppm2 1.436 CV 1 OR { 2836} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1874 and name HG2 )) ASSI { 2837} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1874 and name HB2 )) 2.700 0.900 0.900 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.30044E-02 ppm1 0.753 ppm2 1.697 CV 1 OR { 2837} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1874 and name HB3 )) ASSI { 2838} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1885 and name HG )) 2.000 0.500 0.500 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.97719E-02 ppm1 0.757 ppm2 1.852 CV 1 OR { 2838} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1885 and name HB2 )) ASSI { 2839} ( segid " " and resid 1885 and name HD2%) (( segid " " and resid 1885 and name HB2 )) 2.500 0.800 0.800 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.14671E-01 ppm1 0.939 ppm2 1.851 CV 1 ASSI { 2840} ( segid " " and resid 1885 and name HD2%) (( segid " " and resid 1874 and name HG3 )) 3.200 1.200 1.200 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.22907E-02 ppm1 0.929 ppm2 1.424 CV 1 ASSI { 2842} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1885 and name HB3 )) 2.500 0.800 0.800 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.40118E-02 ppm1 0.756 ppm2 1.281 CV 1 ASSI { 2843} ( segid " " and resid 1885 and name HD1%) ( segid " " and resid 1867 and name HG2%) 3.300 1.400 1.400 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.19759E-02 ppm1 0.757 ppm2 1.186 CV 1 ASSI { 2844} ( segid " " and resid 1885 and name HD2%) ( segid " " and resid 1867 and name HG2%) 2.200 0.600 0.600 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.10662E-01 ppm1 0.938 ppm2 1.182 CV 1 ASSI { 2847} ( segid " " and resid 1885 and name HD1%) ( segid " " and resid 1885 and name HD2%) 2.100 0.500 0.500 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.13268E-01 ppm1 0.754 ppm2 0.936 CV 1 ASSI { 2849} (( segid " " and resid 1885 and name HB2 )) ( segid " " and resid 1885 and name HD1%) 2.700 0.900 0.900 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.15711E-02 ppm1 1.871 ppm2 0.755 CV 1 ASSI { 2851} (( segid " " and resid 1884 and name HA )) ( segid " " and resid 1885 and name HD2%) 4.600 2.600 1.400 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.36880E-03 ppm1 4.289 ppm2 0.931 CV 1 ASSI { 2852} (( segid " " and resid 1884 and name HB3 )) ( segid " " and resid 1885 and name HD2%) 4.700 2.700 1.300 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.47075E-03 ppm1 2.355 ppm2 0.941 CV 1 ASSI { 2853} (( segid " " and resid 1884 and name HA )) ( segid " " and resid 1886 and name HB% ) 4.500 2.600 1.500 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.30284E-03 ppm1 4.279 ppm2 1.466 CV 1 ASSI { 2854} (( segid " " and resid 1884 and name HA )) (( segid " " and resid 1884 and name HB2 )) 2.700 0.900 0.900 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.56129E-02 ppm1 4.284 ppm2 1.919 CV 1 ASSI { 2855} (( segid " " and resid 1884 and name HB3 )) (( segid " " and resid 1884 and name HB2 )) 1.900 0.400 0.400 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.13115E-01 ppm1 2.376 ppm2 1.921 CV 1 OR { 2855} (( segid " " and resid 1884 and name HB3 )) (( segid " " and resid 1884 and name HG3 )) ASSI { 2856} (( segid " " and resid 1884 and name HD2 )) (( segid " " and resid 1884 and name HG3 )) 2.900 1.100 1.100 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.32352E-02 ppm1 3.672 ppm2 1.913 CV 1 ASSI { 2857} (( segid " " and resid 1884 and name HD3 )) (( segid " " and resid 1884 and name HG3 )) 2.400 0.700 0.700 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.38619E-02 ppm1 3.610 ppm2 1.913 CV 1 ASSI { 2858} (( segid " " and resid 1884 and name HG2 )) (( segid " " and resid 1884 and name HG3 )) 1.800 0.400 0.400 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.13739E-01 ppm1 2.140 ppm2 1.916 CV 1 OR { 2858} (( segid " " and resid 1884 and name HG2 )) (( segid " " and resid 1884 and name HB2 )) ASSI { 2859} (( segid " " and resid 1947 and name HG3 )) (( segid " " and resid 1947 and name HB2 )) 2.400 0.700 0.700 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.32832E-02 ppm1 1.410 ppm2 1.836 CV 1 ASSI { 2861} (( segid " " and resid 1884 and name HA )) (( segid " " and resid 1884 and name HG2 )) 3.600 1.700 1.700 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.17420E-02 ppm1 4.282 ppm2 2.139 CV 1 ASSI { 2862} (( segid " " and resid 1884 and name HA )) (( segid " " and resid 1884 and name HB3 )) 2.400 0.700 0.700 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.53461E-02 ppm1 4.284 ppm2 2.374 CV 1 ASSI { 2863} (( segid " " and resid 1884 and name HB3 )) (( segid " " and resid 1884 and name HG2 )) 3.000 1.100 1.100 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.37180E-02 ppm1 2.375 ppm2 2.140 CV 1 ASSI { 2867} (( segid " " and resid 1884 and name HD3 )) (( segid " " and resid 1884 and name HG2 )) 3.200 1.200 1.200 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.24227E-02 ppm1 3.610 ppm2 2.141 CV 1 ASSI { 2869} (( segid " " and resid 1884 and name HG3 )) (( segid " " and resid 1884 and name HB3 )) 2.400 0.700 0.700 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.42727E-02 ppm1 1.913 ppm2 2.374 CV 1 ASSI { 2870} (( segid " " and resid 1884 and name HG3 )) (( segid " " and resid 1884 and name HG2 )) 1.900 0.500 0.500 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.81164E-02 ppm1 1.915 ppm2 2.140 CV 1 ASSI { 2875} (( segid " " and resid 1884 and name HB3 )) (( segid " " and resid 1884 and name HD2 )) 3.700 1.700 1.700 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.15831E-02 ppm1 2.375 ppm2 3.651 CV 1 ASSI { 2876} (( segid " " and resid 1884 and name HB3 )) (( segid " " and resid 1884 and name HD3 )) 3.400 1.400 1.400 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.14572E-02 ppm1 2.373 ppm2 3.625 CV 1 ASSI { 2877} (( segid " " and resid 1884 and name HA )) (( segid " " and resid 1884 and name HD2 )) 3.600 1.600 1.600 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 4.282 ppm2 3.669 CV 1 ASSI { 2878} (( segid " " and resid 1884 and name HA )) (( segid " " and resid 1884 and name HD3 )) 3.300 1.400 1.400 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 4.283 ppm2 3.619 CV 1 ASSI { 2879} (( segid " " and resid 1884 and name HG2 )) (( segid " " and resid 1884 and name HD2 )) 2.400 0.700 0.700 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.32862E-02 ppm1 2.141 ppm2 3.659 CV 1 ASSI { 2881} (( segid " " and resid 1869 and name HB3 )) (( segid " " and resid 1866 and name HA )) 2.400 0.700 0.700 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.29684E-02 ppm1 2.196 ppm2 3.668 CV 1 ASSI { 2883} (( segid " " and resid 1884 and name HA )) (( segid " " and resid 1883 and name HA3 )) 3.500 1.500 1.500 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.92949E-03 ppm1 4.278 ppm2 4.086 CV 1 ASSI { 2884} (( segid " " and resid 1884 and name HD3 )) (( segid " " and resid 1883 and name HA3 )) 2.700 0.900 0.900 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.22338E-02 ppm1 3.610 ppm2 4.090 CV 1 ASSI { 2885} (( segid " " and resid 1884 and name HD2 )) (( segid " " and resid 1883 and name HA3 )) 3.300 1.400 1.400 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 3.682 ppm2 4.089 CV 1 ASSI { 2889} (( segid " " and resid 1884 and name HD3 )) (( segid " " and resid 1881 and name HA )) 3.500 1.500 1.500 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 3.609 ppm2 4.268 CV 1 ASSI { 2890} (( segid " " and resid 1884 and name HG2 )) (( segid " " and resid 1881 and name HA )) 2.800 1.000 1.000 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.24107E-02 ppm1 2.141 ppm2 4.274 CV 1 ASSI { 2891} (( segid " " and resid 1884 and name HG3 )) (( segid " " and resid 1884 and name HA )) 3.300 1.400 1.400 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.22938E-02 ppm1 1.913 ppm2 4.278 CV 1 ASSI { 2892} (( segid " " and resid 1884 and name HA )) (( segid " " and resid 1885 and name H )) 3.400 1.400 1.400 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.85753E-03 ppm1 4.283 ppm2 7.246 CV 1 ASSI { 2893} (( segid " " and resid 1884 and name HB3 )) (( segid " " and resid 1885 and name H )) 4.000 2.000 2.000 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.91752E-03 ppm1 2.374 ppm2 7.247 CV 1 ASSI { 2894} (( segid " " and resid 1884 and name HD3 )) (( segid " " and resid 1885 and name H )) 4.100 2.100 1.900 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.70763E-03 ppm1 3.610 ppm2 7.245 CV 1 ASSI { 2896} (( segid " " and resid 1884 and name HG2 )) (( segid " " and resid 1885 and name H )) 3.600 1.600 1.600 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.49174E-03 ppm1 2.133 ppm2 7.252 CV 1 ASSI { 2897} (( segid " " and resid 1884 and name HG3 )) (( segid " " and resid 1885 and name H )) 4.400 2.400 1.600 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.62666E-03 ppm1 1.917 ppm2 7.246 CV 1 ASSI { 2898} (( segid " " and resid 1884 and name HA )) (( segid " " and resid 1887 and name H )) 3.500 1.500 1.500 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.12833E-02 ppm1 4.284 ppm2 8.230 CV 1 ASSI { 2900} (( segid " " and resid 1905 and name HB )) (( segid " " and resid 1904 and name H )) 4.600 2.600 1.400 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.47075E-03 ppm1 2.077 ppm2 7.797 CV 1 ASSI { 2902} (( segid " " and resid 1884 and name HD3 )) (( segid " " and resid 1883 and name H )) 3.700 1.700 1.700 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 3.607 ppm2 7.800 CV 1 ASSI { 2903} (( segid " " and resid 1884 and name HA )) (( segid " " and resid 1886 and name H )) 4.300 2.300 1.700 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.37480E-03 ppm1 4.276 ppm2 8.452 CV 1 ASSI { 2904} (( segid " " and resid 1869 and name HB3 )) (( segid " " and resid 1868 and name H )) 4.200 2.200 1.800 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.78557E-03 ppm1 2.201 ppm2 8.466 CV 1 ASSI { 2905} (( segid " " and resid 1869 and name HB3 )) (( segid " " and resid 1870 and name H )) 2.900 1.100 1.100 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.28814E-02 ppm1 2.198 ppm2 8.343 CV 1 ASSI { 2908} (( segid " " and resid 1883 and name HA2 )) ( segid " " and resid 1827 and name HE% ) 3.700 1.700 1.700 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.53671E-03 ppm1 3.716 ppm2 2.004 CV 1 ASSI { 2910} (( segid " " and resid 1883 and name HA3 )) (( segid " " and resid 1881 and name HA )) 4.600 2.700 1.400 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.54871E-03 ppm1 4.082 ppm2 4.268 CV 1 ASSI { 2911} (( segid " " and resid 1883 and name HA2 )) (( segid " " and resid 1884 and name HA )) 4.000 2.000 2.000 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.50973E-03 ppm1 3.706 ppm2 4.275 CV 1 ASSI { 2912} (( segid " " and resid 1883 and name HA3 )) (( segid " " and resid 1885 and name H )) 4.700 2.700 1.300 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.21888E-03 ppm1 4.082 ppm2 7.235 CV 1 ASSI { 2913} (( segid " " and resid 1913 and name HA3 )) (( segid " " and resid 1905 and name H )) 3.600 1.600 1.600 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.27885E-03 ppm1 4.079 ppm2 7.104 CV 1 ASSI { 2914} (( segid " " and resid 1883 and name HA2 )) (( segid " " and resid 1883 and name H )) 3.100 1.200 1.200 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.22638E-02 ppm1 3.709 ppm2 7.798 CV 1 ASSI { 2915} (( segid " " and resid 1883 and name HA2 )) (( segid " " and resid 1886 and name H )) 3.700 1.700 1.700 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.42877E-03 ppm1 3.718 ppm2 8.458 CV 1 ASSI { 2916} ( segid " " and resid 1882 and name HD2%) (( segid " " and resid 1875 and name H )) 2.800 1.000 1.000 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.21649E-02 ppm1 0.891 ppm2 8.119 CV 1 ASSI { 2919} (( segid " " and resid 1882 and name HG )) (( segid " " and resid 1879 and name HA )) 2.500 0.800 0.800 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.37270E-02 ppm1 1.711 ppm2 3.928 CV 1 ASSI { 2920} (( segid " " and resid 1882 and name HG )) (( segid " " and resid 1875 and name HA )) 3.500 1.600 1.600 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.68961E-03 ppm1 1.708 ppm2 3.714 CV 1 ASSI { 2921} (( segid " " and resid 1885 and name HB3 )) (( segid " " and resid 1871 and name HA )) 4.600 2.700 1.400 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.38679E-03 ppm1 1.285 ppm2 3.677 CV 1 ASSI { 2922} (( segid " " and resid 1882 and name HA )) (( segid " " and resid 1871 and name HG3 )) 5.200 3.300 0.800 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.31783E-03 ppm1 3.961 ppm2 3.038 CV 1 ASSI { 2923} ( segid " " and resid 1882 and name HD2%) (( segid " " and resid 1871 and name HG3 )) 3.500 1.500 1.500 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.25126E-02 ppm1 0.891 ppm2 3.033 CV 1 ASSI { 2924} (( segid " " and resid 1882 and name HB3 )) (( segid " " and resid 1938 and name HG2 )) 5.000 3.200 1.000 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.47375E-03 ppm1 1.975 ppm2 2.337 CV 1 ASSI { 2927} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1938 and name HG2 )) 3.600 1.600 1.600 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.12473E-02 ppm1 0.945 ppm2 2.338 CV 1 ASSI { 2928} ( segid " " and resid 1882 and name HD2%) (( segid " " and resid 1871 and name HG2 )) 2.600 0.900 0.900 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.53251E-02 ppm1 0.892 ppm2 2.111 CV 1 ASSI { 2929} ( segid " " and resid 1882 and name HD2%) (( segid " " and resid 1882 and name HB3 )) 2.300 0.600 0.600 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.61976E-02 ppm1 0.896 ppm2 1.966 CV 1 ASSI { 2930} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1879 and name HB2 )) 2.600 0.900 0.900 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.43027E-02 ppm1 0.947 ppm2 2.175 CV 1 ASSI { 2931} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1882 and name HB3 )) 2.400 0.700 0.700 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.60567E-02 ppm1 0.947 ppm2 1.973 CV 1 ASSI { 2932} (( segid " " and resid 1882 and name HG )) (( segid " " and resid 1879 and name HB2 )) 3.900 1.900 1.900 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.80057E-03 ppm1 1.714 ppm2 2.170 CV 1 ASSI { 2933} (( segid " " and resid 1882 and name HG )) (( segid " " and resid 1882 and name HB3 )) 3.100 1.200 1.200 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.16911E-02 ppm1 1.715 ppm2 1.973 CV 1 ASSI { 2935} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1882 and name HG )) 2.200 0.600 0.600 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.88450E-02 ppm1 0.947 ppm2 1.709 CV 1 ASSI { 2938} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1882 and name HB2 )) 2.300 0.700 0.700 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.62186E-02 ppm1 0.948 ppm2 1.275 CV 1 ASSI { 2939} (( segid " " and resid 1882 and name HG )) (( segid " " and resid 1882 and name HB2 )) 2.900 1.000 1.000 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.13193E-02 ppm1 1.709 ppm2 1.279 CV 1 ASSI { 2942} ( segid " " and resid 1882 and name HD2%) ( segid " " and resid 1950 and name HD1%) 2.300 0.700 0.700 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.80295E-02 ppm1 0.895 ppm2 0.789 CV 1 ASSI { 2944} (( segid " " and resid 1881 and name HB2 )) ( segid " " and resid 1885 and name HD1%) 4.300 2.300 1.700 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.53671E-03 ppm1 2.329 ppm2 0.752 CV 1 ASSI { 2945} (( segid " " and resid 1881 and name HG2 )) ( segid " " and resid 1885 and name HD1%) 5.200 3.300 0.800 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.40178E-03 ppm1 2.308 ppm2 0.765 CV 1 ASSI { 2946} (( segid " " and resid 1881 and name HG2 )) ( segid " " and resid 1885 and name HD2%) 5.200 3.300 0.800 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.23387E-03 ppm1 2.315 ppm2 0.939 CV 1 ASSI { 2947} (( segid " " and resid 1881 and name HA )) ( segid " " and resid 1885 and name HD1%) 4.600 2.600 1.400 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.31483E-03 ppm1 4.258 ppm2 0.754 CV 1 ASSI { 2948} (( segid " " and resid 1881 and name HB2 )) (( segid " " and resid 1881 and name HB3 )) 1.900 0.500 0.500 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.64796E-02 ppm1 2.331 ppm2 1.888 CV 1 ASSI { 2949} (( segid " " and resid 1881 and name HG2 )) (( segid " " and resid 1881 and name HB3 )) 2.700 0.900 0.900 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.50792E-02 ppm1 2.311 ppm2 1.887 CV 1 ASSI { 2950} (( segid " " and resid 1881 and name HG3 )) (( segid " " and resid 1881 and name HB3 )) 2.500 0.800 0.800 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.44945E-02 ppm1 2.206 ppm2 1.887 CV 1 ASSI { 2951} (( segid " " and resid 1881 and name HA )) (( segid " " and resid 1881 and name HB3 )) 2.500 0.800 0.800 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.37809E-02 ppm1 4.264 ppm2 1.892 CV 1 ASSI { 2954} (( segid " " and resid 1881 and name HB2 )) (( segid " " and resid 1874 and name HB3 )) 3.200 1.300 1.300 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.57869E-03 ppm1 2.336 ppm2 1.695 CV 1 OR { 2954} (( segid " " and resid 1881 and name HB2 )) (( segid " " and resid 1874 and name HB2 )) ASSI { 2955} (( segid " " and resid 1881 and name HB2 )) (( segid " " and resid 1874 and name HD2 )) 4.200 2.200 1.800 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.75861E-03 ppm1 2.331 ppm2 1.451 CV 1 ASSI { 2957} (( segid " " and resid 1881 and name HG3 )) (( segid " " and resid 1881 and name HG2 )) 1.600 0.300 0.600 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.22473E-01 ppm1 2.206 ppm2 2.311 CV 1 ASSI { 2958} (( segid " " and resid 1881 and name HB2 )) (( segid " " and resid 1881 and name HG3 )) 2.400 0.700 0.700 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.37120E-02 ppm1 2.330 ppm2 2.212 CV 1 ASSI { 2959} (( segid " " and resid 1881 and name HB3 )) (( segid " " and resid 1881 and name HB2 )) 1.900 0.400 0.400 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.87311E-02 ppm1 1.889 ppm2 2.325 CV 1 OR { 2959} (( segid " " and resid 1881 and name HB3 )) (( segid " " and resid 1881 and name HG2 )) ASSI { 2960} (( segid " " and resid 1881 and name HA )) (( segid " " and resid 1881 and name HB2 )) 2.400 0.700 0.700 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.81435E-02 ppm1 4.260 ppm2 2.327 CV 1 ASSI { 2961} (( segid " " and resid 1881 and name HA )) (( segid " " and resid 1881 and name HG3 )) 3.000 1.100 1.100 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.45186E-02 ppm1 4.265 ppm2 2.205 CV 1 ASSI { 2963} (( segid " " and resid 1881 and name HG2 )) (( segid " " and resid 1878 and name HB2 )) 3.500 1.500 1.500 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.15382E-02 ppm1 2.308 ppm2 3.900 CV 1 ASSI { 2965} (( segid " " and resid 1881 and name HB2 )) (( segid " " and resid 1878 and name HB3 )) 3.300 1.400 1.400 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.47674E-03 ppm1 2.321 ppm2 3.670 CV 1 ASSI { 2966} (( segid " " and resid 1881 and name HB2 )) (( segid " " and resid 1878 and name HB2 )) 4.000 2.000 2.000 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.51872E-03 ppm1 2.334 ppm2 3.905 CV 1 ASSI { 2968} (( segid " " and resid 1881 and name HG2 )) (( segid " " and resid 1881 and name HA )) 2.600 0.800 0.800 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.35441E-02 ppm1 2.310 ppm2 4.259 CV 1 ASSI { 2970} (( segid " " and resid 1881 and name HG2 )) (( segid " " and resid 1882 and name H )) 4.500 2.500 1.500 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.45576E-03 ppm1 2.311 ppm2 7.833 CV 1 ASSI { 2972} (( segid " " and resid 1881 and name HB3 )) (( segid " " and resid 1882 and name H )) 3.900 1.900 1.900 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.53671E-03 ppm1 1.894 ppm2 7.826 CV 1 ASSI { 2973} (( segid " " and resid 1881 and name HA )) (( segid " " and resid 1882 and name H )) 3.100 1.200 1.200 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.15382E-02 ppm1 4.265 ppm2 7.830 CV 1 ASSI { 2975} (( segid " " and resid 1881 and name HB2 )) (( segid " " and resid 1881 and name H )) 2.600 0.800 0.800 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.17810E-02 ppm1 2.330 ppm2 8.084 CV 1 ASSI { 2976} (( segid " " and resid 1881 and name HG2 )) (( segid " " and resid 1881 and name H )) 2.800 1.000 1.000 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.28814E-02 ppm1 2.310 ppm2 8.082 CV 1 ASSI { 2977} (( segid " " and resid 1881 and name HG3 )) (( segid " " and resid 1881 and name H )) 3.400 1.500 1.500 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.25126E-02 ppm1 2.208 ppm2 8.082 CV 1 ASSI { 2978} (( segid " " and resid 1880 and name HA )) ( segid " " and resid 1882 and name HD1%) 4.100 2.100 1.900 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.50973E-03 ppm1 4.260 ppm2 0.941 CV 1 ASSI { 2979} (( segid " " and resid 1880 and name HA )) (( segid " " and resid 1882 and name HG )) 4.500 2.500 1.500 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.30883E-03 ppm1 4.260 ppm2 1.703 CV 1 ASSI { 2980} (( segid " " and resid 1880 and name HA )) (( segid " " and resid 1938 and name HG2 )) 2.400 0.700 0.700 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.39998E-02 ppm1 4.258 ppm2 2.340 CV 1 ASSI { 2982} (( segid " " and resid 1880 and name HA )) (( segid " " and resid 1879 and name HB2 )) 3.200 1.300 1.300 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.11214E-02 ppm1 4.258 ppm2 2.173 CV 1 ASSI { 2983} (( segid " " and resid 1880 and name HA )) (( segid " " and resid 1879 and name HB3 )) 4.300 2.300 1.700 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.70460E-03 ppm1 4.255 ppm2 1.896 CV 1 ASSI { 2987} (( segid " " and resid 1880 and name HB3 )) (( segid " " and resid 1880 and name HG2 )) 2.400 0.700 0.700 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.47464E-02 ppm1 2.031 ppm2 2.340 CV 1 ASSI { 2988} (( segid " " and resid 1880 and name HA )) (( segid " " and resid 1938 and name HA )) 3.800 1.900 1.900 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 4.256 ppm2 3.744 CV 1 ASSI { 2989} (( segid " " and resid 1880 and name HB2 )) (( segid " " and resid 1880 and name HA )) 2.600 0.800 0.800 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.53072E-02 ppm1 2.080 ppm2 4.254 CV 1 ASSI { 2990} (( segid " " and resid 1880 and name HB3 )) (( segid " " and resid 1880 and name HA )) 2.500 0.800 0.800 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.51062E-02 ppm1 2.034 ppm2 4.253 CV 1 ASSI { 2991} (( segid " " and resid 1880 and name HG2 )) (( segid " " and resid 1880 and name HA )) 3.100 1.200 1.200 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.33522E-02 ppm1 2.346 ppm2 4.254 CV 1 ASSI { 2992} (( segid " " and resid 1880 and name HG3 )) (( segid " " and resid 1880 and name HA )) 3.100 1.200 1.200 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.30793E-02 ppm1 2.272 ppm2 4.254 CV 1 ASSI { 2993} (( segid " " and resid 1880 and name HA )) (( segid " " and resid 1882 and name H )) 3.200 1.200 1.200 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.12473E-02 ppm1 4.257 ppm2 7.830 CV 1 ASSI { 2994} (( segid " " and resid 1880 and name HA )) (( segid " " and resid 1881 and name H )) 3.100 1.200 1.200 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.17570E-02 ppm1 4.258 ppm2 8.082 CV 1 ASSI { 2995} (( segid " " and resid 1880 and name HB2 )) (( segid " " and resid 1881 and name H )) 3.500 1.600 1.600 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.90851E-03 ppm1 2.078 ppm2 8.079 CV 1 ASSI { 2996} (( segid " " and resid 1880 and name HB3 )) (( segid " " and resid 1881 and name H )) 3.800 1.900 1.900 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.89351E-03 ppm1 2.033 ppm2 8.083 CV 1 ASSI { 2997} (( segid " " and resid 1880 and name HG2 )) (( segid " " and resid 1881 and name H )) 3.300 1.400 1.400 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 2.351 ppm2 8.081 CV 1 ASSI { 2999} (( segid " " and resid 1833 and name HB2 )) (( segid " " and resid 1833 and name H )) 2.400 0.700 0.700 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.63116E-02 ppm1 2.116 ppm2 8.190 CV 1 OR { 2999} (( segid " " and resid 1833 and name HB3 )) (( segid " " and resid 1833 and name H )) ASSI { 3000} (( segid " " and resid 1878 and name HB3 )) ( segid " " and resid 1885 and name HD1%) 6.000 5.900 0.000 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.59968E-04 ppm1 3.673 ppm2 0.767 CV 1 ASSI { 3001} (( segid " " and resid 1958 and name HA )) ( segid " " and resid 1961 and name HG2%) 2.700 0.900 0.900 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.23507E-02 ppm1 3.910 ppm2 1.001 CV 1 ASSI { 3003} (( segid " " and resid 1958 and name HA )) ( segid " " and resid 1957 and name HG1%) 3.400 1.500 1.500 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.83353E-03 ppm1 3.911 ppm2 0.789 CV 1 ASSI { 3004} (( segid " " and resid 1878 and name HB2 )) ( segid " " and resid 1877 and name HG2%) 3.600 1.600 1.600 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.27885E-03 ppm1 3.904 ppm2 1.143 CV 1 ASSI { 3005} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1874 and name HD3 )) 2.900 1.100 1.100 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 3.674 ppm2 1.548 CV 1 ASSI { 3006} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1874 and name HD2 )) 3.700 1.700 1.700 peak 3006 spectrum 1 weight 0.10000E+01 volume 0.19459E-02 ppm1 3.676 ppm2 1.452 CV 1 ASSI { 3007} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1881 and name HB3 )) 4.100 2.100 1.900 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.10555E-02 ppm1 3.675 ppm2 1.883 CV 1 ASSI { 3008} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1874 and name HB3 )) 3.100 1.200 1.200 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.13403E-02 ppm1 3.674 ppm2 1.689 CV 1 ASSI { 3009} (( segid " " and resid 1878 and name HB2 )) (( segid " " and resid 1874 and name HB3 )) 3.500 1.500 1.500 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.12023E-02 ppm1 3.902 ppm2 1.690 CV 1 ASSI { 3011} (( segid " " and resid 1878 and name HB2 )) (( segid " " and resid 1874 and name HD2 )) 3.800 1.800 1.800 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.20929E-02 ppm1 3.903 ppm2 1.460 CV 1 ASSI { 3012} (( segid " " and resid 1878 and name HB2 )) (( segid " " and resid 1881 and name HB3 )) 4.100 2.100 1.900 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 3.903 ppm2 1.889 CV 1 ASSI { 3013} (( segid " " and resid 1878 and name HA )) (( segid " " and resid 1879 and name HB3 )) 4.700 2.800 1.300 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.56070E-03 ppm1 4.893 ppm2 1.903 CV 1 ASSI { 3014} (( segid " " and resid 1878 and name HA )) (( segid " " and resid 1879 and name HG2 )) 4.100 2.100 1.900 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.16281E-02 ppm1 4.895 ppm2 2.067 CV 1 ASSI { 3015} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1881 and name HG2 )) 3.000 1.200 1.200 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.17901E-02 ppm1 3.675 ppm2 2.313 CV 1 ASSI { 3016} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1881 and name HG3 )) 3.300 1.400 1.400 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.84852E-03 ppm1 3.673 ppm2 2.215 CV 1 ASSI { 3017} (( segid " " and resid 1878 and name HA )) (( segid " " and resid 1881 and name HG2 )) 4.500 2.500 1.500 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.39879E-03 ppm1 4.898 ppm2 2.310 CV 1 ASSI { 3021} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1879 and name HD3 )) 5.300 3.500 0.700 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.24587E-03 ppm1 3.667 ppm2 3.408 CV 1 ASSI { 3022} (( segid " " and resid 1878 and name HB2 )) (( segid " " and resid 1879 and name HD3 )) 4.400 2.400 1.600 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.86352E-03 ppm1 3.902 ppm2 3.413 CV 1 ASSI { 3023} (( segid " " and resid 1878 and name HA )) (( segid " " and resid 1879 and name HD2 )) 2.100 0.600 0.600 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.67583E-02 ppm1 4.894 ppm2 3.746 CV 1 ASSI { 3024} (( segid " " and resid 1878 and name HA )) (( segid " " and resid 1878 and name HB3 )) 2.600 0.800 0.800 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.41138E-02 ppm1 4.895 ppm2 3.679 CV 1 ASSI { 3026} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1878 and name HB2 )) 1.700 0.400 0.500 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.18221E-01 ppm1 3.674 ppm2 3.900 CV 1 ASSI { 3028} (( segid " " and resid 1878 and name HA )) (( segid " " and resid 1874 and name HA )) 4.500 2.500 1.500 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.33582E-03 ppm1 4.891 ppm2 4.231 CV 1 ASSI { 3029} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1874 and name HA )) 3.600 1.600 1.600 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.90253E-03 ppm1 3.672 ppm2 4.221 CV 1 ASSI { 3030} (( segid " " and resid 1878 and name HB2 )) (( segid " " and resid 1874 and name HA )) 3.400 1.500 1.500 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 3.899 ppm2 4.227 CV 1 ASSI { 3032} (( segid " " and resid 1878 and name HB2 )) (( segid " " and resid 1878 and name HA )) 2.400 0.700 0.700 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.53971E-02 ppm1 3.903 ppm2 4.889 CV 1 ASSI { 3033} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1881 and name H )) 3.400 1.500 1.500 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.78860E-03 ppm1 3.675 ppm2 8.081 CV 1 ASSI { 3034} (( segid " " and resid 1958 and name HA )) (( segid " " and resid 1958 and name H )) 2.600 0.900 0.900 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.33042E-02 ppm1 3.911 ppm2 8.764 CV 1 ASSI { 3035} (( segid " " and resid 1878 and name HB2 )) (( segid " " and resid 1878 and name H )) 3.000 1.100 1.100 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.17091E-02 ppm1 3.905 ppm2 8.701 CV 1 ASSI { 3036} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1878 and name H )) 3.000 1.100 1.100 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 3.676 ppm2 8.699 CV 1 ASSI { 3039} (( segid " " and resid 1877 and name HA )) ( segid " " and resid 1877 and name HG2%) 2.400 0.700 0.700 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.89023E-02 ppm1 4.423 ppm2 1.153 CV 1 ASSI { 3040} (( segid " " and resid 1877 and name HB )) ( segid " " and resid 1877 and name HG2%) 2.300 0.700 0.700 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.93188E-02 ppm1 4.175 ppm2 1.153 CV 1 ASSI { 3041} (( segid " " and resid 1846 and name HA )) (( segid " " and resid 1902 and name HB3 )) 3.100 1.200 1.200 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 4.423 ppm2 1.314 CV 1 ASSI { 3042} (( segid " " and resid 1846 and name HA )) ( segid " " and resid 1906 and name HB% ) 4.600 2.600 1.400 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.52472E-03 ppm1 4.430 ppm2 1.568 CV 1 ASSI { 3043} (( segid " " and resid 1846 and name HA )) (( segid " " and resid 1846 and name HB2 )) 2.600 0.800 0.800 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.55920E-02 ppm1 4.426 ppm2 2.249 CV 1 ASSI { 3044} (( segid " " and resid 1846 and name HA )) (( segid " " and resid 1846 and name HB3 )) 2.400 0.700 0.700 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.43596E-02 ppm1 4.425 ppm2 2.131 CV 1 ASSI { 3045} (( segid " " and resid 1846 and name HA )) (( segid " " and resid 1846 and name HG3 )) 3.400 1.400 1.400 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.30763E-02 ppm1 4.424 ppm2 1.941 CV 1 ASSI { 3046} ( segid " " and resid 1877 and name HG2%) (( segid " " and resid 1876 and name HB3 )) 2.700 0.900 0.900 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.43777E-02 ppm1 1.154 ppm2 2.872 CV 1 ASSI { 3047} (( segid " " and resid 1877 and name HB )) (( segid " " and resid 1876 and name HB3 )) 5.100 3.200 0.900 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.27285E-03 ppm1 4.176 ppm2 2.882 CV 1 ASSI { 3048} (( segid " " and resid 1846 and name HA )) (( segid " " and resid 1846 and name HD3 )) 3.300 1.300 1.300 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 4.423 ppm2 3.747 CV 1 ASSI { 3049} ( segid " " and resid 1856 and name HG2%) (( segid " " and resid 1856 and name HA )) 2.200 0.600 0.600 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.11388E-01 ppm1 1.145 ppm2 3.896 CV 1 ASSI { 3050} (( segid " " and resid 1877 and name HA )) (( segid " " and resid 1877 and name HB )) 2.300 0.700 0.700 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.90729E-02 ppm1 4.423 ppm2 4.171 CV 1 ASSI { 3053} (( segid " " and resid 1877 and name HA )) (( segid " " and resid 1876 and name HA )) 3.500 1.500 1.500 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.88450E-03 ppm1 4.424 ppm2 4.709 CV 1 ASSI { 3055} (( segid " " and resid 1846 and name HA )) ( segid " " and resid 1853 and name HE% ) 4.100 2.100 1.900 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.83353E-03 ppm1 4.427 ppm2 6.663 CV 1 ASSI { 3056} (( segid " " and resid 1877 and name HA )) (( segid " " and resid 1876 and name H )) 4.600 2.600 1.400 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.41678E-03 ppm1 4.414 ppm2 7.095 CV 1 ASSI { 3057} (( segid " " and resid 1877 and name HA )) (( segid " " and resid 1877 and name H )) 3.300 1.300 1.300 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 4.422 ppm2 7.605 CV 1 ASSI { 3058} (( segid " " and resid 1846 and name HA )) (( segid " " and resid 1848 and name H )) 4.500 2.500 1.500 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.47974E-03 ppm1 4.426 ppm2 7.886 CV 1 ASSI { 3059} (( segid " " and resid 1877 and name HB )) (( segid " " and resid 1878 and name H )) 3.700 1.700 1.700 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.90549E-03 ppm1 4.177 ppm2 8.699 CV 1 ASSI { 3060} ( segid " " and resid 1877 and name HG2%) (( segid " " and resid 1878 and name H )) 4.300 2.300 1.700 peak 3060 spectrum 1 weight 0.10000E+01 volume 0.71960E-03 ppm1 1.145 ppm2 8.699 CV 1 ASSI { 3061} (( segid " " and resid 1877 and name HA )) (( segid " " and resid 1878 and name H )) 3.400 1.500 1.500 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.12893E-02 ppm1 4.423 ppm2 8.698 CV 1 ASSI { 3062} (( segid " " and resid 1846 and name HA )) (( segid " " and resid 1847 and name H )) 2.100 0.600 0.600 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.10096E-01 ppm1 4.425 ppm2 8.567 CV 1 ASSI { 3063} (( segid " " and resid 1876 and name HB3 )) ( segid " " and resid 1877 and name HG2%) 3.000 1.100 1.100 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.23867E-02 ppm1 2.879 ppm2 1.154 CV 1 OR { 3063} (( segid " " and resid 1876 and name HB2 )) ( segid " " and resid 1877 and name HG2%) ASSI { 3065} (( segid " " and resid 1876 and name HA )) ( segid " " and resid 1877 and name HG2%) 4.300 2.300 1.700 peak 3065 spectrum 1 weight 0.10000E+01 volume 0.49174E-03 ppm1 4.721 ppm2 1.153 CV 1 ASSI { 3066} (( segid " " and resid 1876 and name HB3 )) (( segid " " and resid 1947 and name HD2 )) 4.800 2.900 1.200 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.24287E-03 ppm1 2.891 ppm2 1.674 CV 1 ASSI { 3067} (( segid " " and resid 1876 and name HA )) (( segid " " and resid 1876 and name HB2 )) 2.600 0.800 0.800 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.67731E-02 ppm1 4.724 ppm2 2.863 CV 1 ASSI { 3068} (( segid " " and resid 1876 and name HA )) (( segid " " and resid 1875 and name HA )) 3.500 1.500 1.500 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.85451E-03 ppm1 4.718 ppm2 3.716 CV 1 ASSI { 3069} (( segid " " and resid 1876 and name HB2 )) (( segid " " and resid 1875 and name HA )) 4.900 2.900 1.100 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.27585E-03 ppm1 2.865 ppm2 3.732 CV 1 ASSI { 3071} (( segid " " and resid 1876 and name HB2 )) (( segid " " and resid 1873 and name HA )) 3.400 1.400 1.400 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.74657E-03 ppm1 2.878 ppm2 3.921 CV 1 ASSI { 3073} (( segid " " and resid 1876 and name HB2 )) (( segid " " and resid 1874 and name HA )) 3.900 1.900 1.900 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.34482E-03 ppm1 2.862 ppm2 4.205 CV 1 ASSI { 3074} (( segid " " and resid 1876 and name HB3 )) (( segid " " and resid 1874 and name HA )) 4.700 2.800 1.300 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.39879E-03 ppm1 2.891 ppm2 4.206 CV 1 ASSI { 3075} (( segid " " and resid 1876 and name HB3 )) (( segid " " and resid 1876 and name HA )) 2.500 0.800 0.800 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.48964E-02 ppm1 2.863 ppm2 4.715 CV 1 OR { 3075} (( segid " " and resid 1876 and name HB2 )) (( segid " " and resid 1876 and name HA )) ASSI { 3077} (( segid " " and resid 1876 and name HB2 )) (( segid " " and resid 1876 and name H )) 2.400 0.700 0.700 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.45576E-02 ppm1 2.858 ppm2 7.100 CV 1 ASSI { 3078} (( segid " " and resid 1876 and name HA )) (( segid " " and resid 1876 and name H )) 2.700 0.900 0.900 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.31153E-02 ppm1 4.724 ppm2 7.098 CV 1 ASSI { 3079} (( segid " " and resid 1876 and name HA )) (( segid " " and resid 1876 and name HD21)) 3.900 3.900 2.100 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.18290E-03 ppm1 4.724 ppm2 7.466 CV 1 ASSI { 3080} (( segid " " and resid 1876 and name HB3 )) (( segid " " and resid 1876 and name HD21)) 3.200 1.300 1.300 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.15022E-02 ppm1 2.858 ppm2 7.474 CV 1 OR { 3080} (( segid " " and resid 1876 and name HB2 )) (( segid " " and resid 1876 and name HD21)) ASSI { 3081} (( segid " " and resid 1876 and name HB2 )) (( segid " " and resid 1877 and name H )) 3.500 1.500 1.500 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.61767E-03 ppm1 2.866 ppm2 7.605 CV 1 OR { 3081} (( segid " " and resid 1876 and name HB3 )) (( segid " " and resid 1877 and name H )) ASSI { 3082} (( segid " " and resid 1876 and name HB2 )) (( segid " " and resid 1875 and name H )) 4.700 2.800 1.300 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.39579E-03 ppm1 2.849 ppm2 8.126 CV 1 ASSI { 3083} (( segid " " and resid 1876 and name HA )) (( segid " " and resid 1875 and name H )) 4.200 2.200 1.800 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.66264E-03 ppm1 4.724 ppm2 8.129 CV 1 ASSI { 3084} (( segid " " and resid 1874 and name HA )) ( segid " " and resid 1885 and name HD1%) 5.000 3.200 1.000 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.55770E-03 ppm1 4.224 ppm2 0.756 CV 1 ASSI { 3085} (( segid " " and resid 1852 and name HA )) ( segid " " and resid 1851 and name HG2%) 3.200 1.300 1.300 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.16041E-02 ppm1 4.248 ppm2 0.909 CV 1 ASSI { 3086} (( segid " " and resid 1874 and name HA )) ( segid " " and resid 1873 and name HG2%) 3.100 1.200 1.200 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.16041E-02 ppm1 4.224 ppm2 1.184 CV 1 ASSI { 3087} (( segid " " and resid 1852 and name HA )) ( segid " " and resid 1855 and name HG2%) 3.300 1.300 1.300 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.14452E-02 ppm1 4.236 ppm2 1.165 CV 1 ASSI { 3093} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1951 and name HG12)) 3.700 1.700 1.700 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.48574E-03 ppm1 3.237 ppm2 1.165 CV 1 ASSI { 3096} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1951 and name HG12)) 2.400 0.700 0.700 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.60807E-02 ppm1 0.846 ppm2 1.172 CV 1 ASSI { 3097} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1859 and name HG2 )) 2.800 1.000 1.000 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.66952E-02 ppm1 0.848 ppm2 1.570 CV 1 ASSI { 3098} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1951 and name HG13)) 3.100 1.200 1.200 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.61137E-02 ppm1 0.847 ppm2 1.742 CV 1 ASSI { 3099} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1950 and name HG )) 4.900 3.000 1.100 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.23387E-03 ppm1 3.233 ppm2 1.557 CV 1 ASSI { 3100} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1951 and name HG13)) 4.400 2.400 1.600 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.35081E-03 ppm1 3.233 ppm2 1.750 CV 1 ASSI { 3101} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1951 and name HB )) 5.800 4.200 0.200 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.13193E-03 ppm1 3.242 ppm2 1.975 CV 1 ASSI { 3102} (( segid " " and resid 1920 and name HB )) (( segid " " and resid 1838 and name HG )) 4.300 2.300 1.700 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.65067E-03 ppm1 2.278 ppm2 1.889 CV 1 ASSI { 3105} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1872 and name HB )) 2.900 1.000 1.000 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.18560E-02 ppm1 3.236 ppm2 2.266 CV 1 ASSI { 3106} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1871 and name HB2 )) 4.300 2.300 1.700 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.36281E-03 ppm1 3.237 ppm2 2.429 CV 1 ASSI { 3107} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1872 and name HA )) 2.400 0.700 0.700 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.67731E-02 ppm1 0.844 ppm2 3.234 CV 1 ASSI { 3108} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1858 and name HA )) 2.600 0.800 0.800 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.87253E-02 ppm1 0.848 ppm2 3.395 CV 1 ASSI { 3109} (( segid " " and resid 1872 and name HB )) (( segid " " and resid 1951 and name HA )) 4.400 2.400 1.600 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.22788E-03 ppm1 2.260 ppm2 3.452 CV 1 ASSI { 3111} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1855 and name HA )) 2.800 1.000 1.000 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.25486E-02 ppm1 0.847 ppm2 3.738 CV 1 ASSI { 3112} (( segid " " and resid 1872 and name HB )) (( segid " " and resid 1873 and name HB )) 5.100 3.300 0.900 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.33582E-03 ppm1 2.269 ppm2 4.206 CV 1 ASSI { 3113} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1873 and name HB )) 3.800 1.800 1.800 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.13403E-02 ppm1 0.841 ppm2 4.189 CV 1 ASSI { 3114} ( segid " " and resid 1828 and name HG2%) (( segid " " and resid 1829 and name HA )) 3.200 1.300 1.300 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.18200E-02 ppm1 0.848 ppm2 4.356 CV 1 ASSI { 3115} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1872 and name H )) 2.800 1.000 1.000 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.22518E-02 ppm1 3.236 ppm2 7.831 CV 1 ASSI { 3116} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1872 and name H )) 3.300 1.400 1.400 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.36191E-02 ppm1 0.844 ppm2 7.835 CV 1 ASSI { 3117} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1873 and name H )) 3.400 1.400 1.400 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.96245E-03 ppm1 3.238 ppm2 8.176 CV 1 ASSI { 3118} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1875 and name H )) 3.300 1.400 1.400 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.94147E-03 ppm1 3.237 ppm2 8.132 CV 1 ASSI { 3119} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1871 and name H )) 5.200 3.400 0.800 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.19190E-03 ppm1 3.233 ppm2 8.471 CV 1 ASSI { 3120} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1858 and name H )) 2.700 0.900 0.900 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.30313E-02 ppm1 0.849 ppm2 8.532 CV 1 ASSI { 3123} (( segid " " and resid 1869 and name HB3 )) ( segid " " and resid 1866 and name HG1%) 3.300 3.300 2.700 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.52772E-03 ppm1 2.194 ppm2 1.048 CV 1 ASSI { 3124} (( segid " " and resid 1869 and name HG2 )) ( segid " " and resid 1866 and name HG2%) 2.600 0.800 0.800 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.41767E-02 ppm1 2.428 ppm2 0.918 CV 1 OR { 3124} (( segid " " and resid 1869 and name HG3 )) ( segid " " and resid 1866 and name HG2%) ASSI { 3125} (( segid " " and resid 1833 and name HG3 )) (( segid " " and resid 1833 and name HB3 )) 2.400 0.700 0.700 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.88785E-02 ppm1 2.369 ppm2 2.116 CV 1 OR { 3125} (( segid " " and resid 1833 and name HG3 )) (( segid " " and resid 1833 and name HB2 )) ASSI { 3126} (( segid " " and resid 1869 and name HG2 )) (( segid " " and resid 1869 and name HB3 )) 1.600 0.300 0.600 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.33402E-01 ppm1 2.426 ppm2 2.196 CV 1 ASSI { 3127} (( segid " " and resid 1869 and name HA )) (( segid " " and resid 1869 and name HB2 )) 2.200 0.600 0.600 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.87942E-02 ppm1 3.994 ppm2 2.198 CV 1 OR { 3127} (( segid " " and resid 1869 and name HA )) (( segid " " and resid 1869 and name HB3 )) ASSI { 3128} (( segid " " and resid 1833 and name HG3 )) (( segid " " and resid 1833 and name HG2 )) 1.600 0.300 0.600 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.27375E-01 ppm1 2.369 ppm2 2.470 CV 1 ASSI { 3129} (( segid " " and resid 1869 and name HA )) (( segid " " and resid 1869 and name HG3 )) 2.800 1.000 1.000 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.37690E-02 ppm1 3.995 ppm2 2.422 CV 1 ASSI { 3130} (( segid " " and resid 1869 and name HB3 )) (( segid " " and resid 1869 and name HG2 )) 2.100 0.500 0.500 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.12566E-01 ppm1 2.196 ppm2 2.422 CV 1 OR { 3130} (( segid " " and resid 1869 and name HB2 )) (( segid " " and resid 1869 and name HG2 )) OR { 3130} (( segid " " and resid 1869 and name HB3 )) (( segid " " and resid 1869 and name HG3 )) ASSI { 3131} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1862 and name HE2 )) 2.900 1.100 1.100 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.48604E-02 ppm1 0.848 ppm2 2.777 CV 1 ASSI { 3132} (( segid " " and resid 1869 and name HA )) (( segid " " and resid 1866 and name HA )) 5.300 3.600 0.700 peak 3132 spectrum 1 weight 0.10000E+01 volume 0.48574E-03 ppm1 3.993 ppm2 3.672 CV 1 ASSI { 3133} (( segid " " and resid 1869 and name HG2 )) (( segid " " and resid 1866 and name HA )) 2.600 0.800 0.800 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.29354E-02 ppm1 2.425 ppm2 3.672 CV 1 ASSI { 3135} (( segid " " and resid 1833 and name HG3 )) (( segid " " and resid 1833 and name HA )) 2.700 0.900 0.900 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.29864E-02 ppm1 2.367 ppm2 4.028 CV 1 ASSI { 3136} (( segid " " and resid 1837 and name HB3 )) (( segid " " and resid 1837 and name HA )) 2.700 0.900 0.900 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.36580E-02 ppm1 2.250 ppm2 4.116 CV 1 ASSI { 3137} (( segid " " and resid 1869 and name HG3 )) (( segid " " and resid 1869 and name HE22)) 3.800 1.800 1.800 peak 3137 spectrum 1 weight 0.10000E+01 volume 0.17301E-02 ppm1 2.423 ppm2 6.793 CV 1 OR { 3137} (( segid " " and resid 1869 and name HG2 )) (( segid " " and resid 1869 and name HE22)) ASSI { 3138} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1969 and name HE21)) 4.000 2.000 2.000 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.11514E-02 ppm1 0.858 ppm2 6.793 CV 1 ASSI { 3139} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1859 and name H )) 2.600 0.900 0.900 peak 3139 spectrum 1 weight 0.10000E+01 volume 0.28604E-02 ppm1 0.849 ppm2 7.191 CV 1 ASSI { 3140} (( segid " " and resid 1869 and name HG3 )) (( segid " " and resid 1869 and name HE21)) 2.500 0.800 0.800 peak 3140 spectrum 1 weight 0.10000E+01 volume 0.28185E-02 ppm1 2.423 ppm2 7.295 CV 1 OR { 3140} (( segid " " and resid 1869 and name HG2 )) (( segid " " and resid 1869 and name HE21)) ASSI { 3142} (( segid " " and resid 1869 and name HB3 )) (( segid " " and resid 1869 and name H )) 2.000 0.500 0.500 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.66026E-02 ppm1 2.195 ppm2 7.539 CV 1 ASSI { 3143} (( segid " " and resid 1869 and name HA )) (( segid " " and resid 1869 and name H )) 2.600 0.900 0.900 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.38049E-02 ppm1 3.996 ppm2 7.540 CV 1 ASSI { 3144} (( segid " " and resid 1869 and name HA )) (( segid " " and resid 1872 and name H )) 3.100 1.200 1.200 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.19609E-02 ppm1 3.995 ppm2 7.831 CV 1 ASSI { 3145} (( segid " " and resid 1869 and name HB3 )) (( segid " " and resid 1866 and name H )) 3.900 1.900 1.900 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.86056E-03 ppm1 2.197 ppm2 7.819 CV 1 ASSI { 3146} (( segid " " and resid 1869 and name HG3 )) (( segid " " and resid 1870 and name H )) 2.600 0.800 0.800 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.22398E-02 ppm1 2.426 ppm2 8.349 CV 1 ASSI { 3147} (( segid " " and resid 1869 and name HG3 )) (( segid " " and resid 1871 and name H )) 3.800 1.800 1.800 peak 3147 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 2.430 ppm2 8.460 CV 1 ASSI { 3148} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1954 and name H )) 4.400 2.400 1.600 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.99843E-03 ppm1 0.908 ppm2 8.968 CV 1 ASSI { 3149} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1958 and name H )) 3.100 1.200 1.200 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.15262E-02 ppm1 0.908 ppm2 8.765 CV 1 ASSI { 3151} (( segid " " and resid 1858 and name HB )) (( segid " " and resid 1858 and name H )) 3.100 1.200 1.200 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.36490E-02 ppm1 2.106 ppm2 8.531 CV 1 ASSI { 3154} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1868 and name H )) 3.300 1.400 1.400 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.34332E-02 ppm1 0.909 ppm2 8.458 CV 1 ASSI { 3155} (( segid " " and resid 1957 and name HA )) (( segid " " and resid 1960 and name H )) 3.100 1.200 1.200 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.15292E-02 ppm1 3.454 ppm2 7.981 CV 1 ASSI { 3156} (( segid " " and resid 1851 and name HB )) (( segid " " and resid 1851 and name H )) 2.400 0.700 0.700 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.66534E-02 ppm1 2.018 ppm2 8.215 CV 1 ASSI { 3157} (( segid " " and resid 1868 and name HA )) (( segid " " and resid 1869 and name H )) 3.300 1.300 1.300 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.10074E-02 ppm1 3.440 ppm2 7.541 CV 1 ASSI { 3160} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1872 and name H )) 3.400 1.500 1.500 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.96850E-03 ppm1 0.912 ppm2 7.823 CV 1 ASSI { 3162} (( segid " " and resid 1868 and name HB )) (( segid " " and resid 1865 and name HA )) 3.100 1.200 1.200 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.33612E-02 ppm1 2.069 ppm2 3.887 CV 1 ASSI { 3164} ( segid " " and resid 1882 and name HD2%) (( segid " " and resid 1882 and name HA )) 2.000 0.500 0.500 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.11289E-01 ppm1 0.890 ppm2 3.958 CV 1 ASSI { 3165} ( segid " " and resid 1868 and name HG1%) (( segid " " and resid 1865 and name HA )) 2.300 0.600 0.600 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.62666E-02 ppm1 0.943 ppm2 3.892 CV 1 ASSI { 3166} ( segid " " and resid 1930 and name HD2%) (( segid " " and resid 1954 and name HA )) 3.000 1.100 1.100 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.39129E-02 ppm1 0.918 ppm2 3.834 CV 1 ASSI { 3167} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1869 and name HA )) 2.800 2.800 3.200 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.28095E-02 ppm1 0.908 ppm2 3.983 CV 1 ASSI { 3168} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1954 and name HA )) 2.400 0.700 0.700 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.53281E-02 ppm1 0.911 ppm2 3.838 CV 1 ASSI { 3170} ( segid " " and resid 1868 and name HG1%) (( segid " " and resid 1868 and name HA )) 2.500 0.800 0.800 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.10407E-01 ppm1 0.945 ppm2 3.438 CV 1 ASSI { 3172} (( segid " " and resid 1858 and name HB )) (( segid " " and resid 1858 and name HA )) 2.800 1.000 1.000 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 2.105 ppm2 3.398 CV 1 ASSI { 3173} (( segid " " and resid 1868 and name HA )) (( segid " " and resid 1871 and name HG3 )) 3.000 1.100 1.100 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.10074E-02 ppm1 3.443 ppm2 3.029 CV 1 ASSI { 3174} (( segid " " and resid 1961 and name HA )) (( segid " " and resid 1964 and name HB )) 2.600 0.800 0.800 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.37570E-02 ppm1 3.479 ppm2 2.501 CV 1 ASSI { 3175} (( segid " " and resid 1868 and name HA )) (( segid " " and resid 1871 and name HB2 )) 2.700 0.900 0.900 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.22158E-02 ppm1 3.440 ppm2 2.421 CV 1 ASSI { 3176} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1871 and name HB2 )) 3.000 1.100 1.100 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.19369E-02 ppm1 0.908 ppm2 2.426 CV 1 ASSI { 3178} (( segid " " and resid 1840 and name HB2 )) (( segid " " and resid 1840 and name HB3 )) 1.800 0.400 0.400 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.14335E-01 ppm1 2.046 ppm2 1.900 CV 1 ASSI { 3179} ( segid " " and resid 1885 and name HD2%) (( segid " " and resid 1885 and name HG )) 2.900 1.100 1.100 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.16761E-02 ppm1 0.909 ppm2 1.856 CV 1 OR { 3179} ( segid " " and resid 1885 and name HD2%) (( segid " " and resid 1885 and name HB2 )) ASSI { 3180} ( segid " " and resid 1868 and name HG2%) ( segid " " and resid 1871 and name HE% ) 4.000 2.000 2.000 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.12923E-02 ppm1 0.905 ppm2 1.799 CV 1 ASSI { 3181} ( segid " " and resid 1868 and name HG2%) ( segid " " and resid 1954 and name HB% ) 2.100 0.500 0.500 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.11427E-01 ppm1 0.908 ppm2 1.312 CV 1 ASSI { 3183} (( segid " " and resid 1858 and name HB )) ( segid " " and resid 1858 and name HG1%) 2.300 0.700 0.700 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.61047E-02 ppm1 2.108 ppm2 1.019 CV 1 ASSI { 3185} (( segid " " and resid 1858 and name HB )) ( segid " " and resid 1858 and name HG2%) 2.300 0.700 0.700 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.67821E-02 ppm1 2.100 ppm2 0.850 CV 1 ASSI { 3186} (( segid " " and resid 1828 and name HB )) ( segid " " and resid 1828 and name HG2%) 2.300 0.700 0.700 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.66412E-02 ppm1 2.064 ppm2 0.855 CV 1 ASSI { 3189} (( segid " " and resid 1867 and name HB )) ( segid " " and resid 1867 and name HG2%) 2.600 0.800 0.800 peak 3189 spectrum 1 weight 0.10000E+01 volume 0.28095E-02 ppm1 4.283 ppm2 1.182 CV 1 ASSI { 3190} (( segid " " and resid 1867 and name HB )) ( segid " " and resid 1889 and name HD1%) 3.100 1.200 1.200 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.90851E-03 ppm1 4.283 ppm2 1.016 CV 1 ASSI { 3191} (( segid " " and resid 1867 and name HB )) ( segid " " and resid 1868 and name HG1%) 4.100 2.100 1.900 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.10614E-02 ppm1 4.282 ppm2 0.935 CV 1 ASSI { 3194} ( segid " " and resid 1867 and name HG2%) ( segid " " and resid 1889 and name HD1%) 2.900 1.000 1.000 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.33072E-02 ppm1 1.186 ppm2 1.015 CV 1 ASSI { 3196} ( segid " " and resid 1867 and name HG2%) ( segid " " and resid 1889 and name HD2%) 3.600 1.600 1.600 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.16641E-02 ppm1 1.185 ppm2 0.851 CV 1 ASSI { 3201} (( segid " " and resid 1860 and name HA )) (( segid " " and resid 1859 and name HB3 )) 3.500 1.600 1.600 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.97146E-03 ppm1 3.884 ppm2 1.912 CV 1 OR { 3201} (( segid " " and resid 1860 and name HA )) (( segid " " and resid 1859 and name HB2 )) ASSI { 3204} (( segid " " and resid 1867 and name HA )) ( segid " " and resid 1885 and name HD1%) 4.300 2.300 1.700 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.47974E-03 ppm1 3.795 ppm2 0.758 CV 1 ASSI { 3205} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1889 and name HB3 )) 3.800 1.800 1.800 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.25006E-02 ppm1 1.183 ppm2 1.950 CV 1 ASSI { 3206} ( segid " " and resid 1867 and name HG2%) ( segid " " and resid 1871 and name HE% ) 2.900 1.000 1.000 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.34391E-02 ppm1 1.186 ppm2 1.815 CV 1 ASSI { 3207} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1889 and name HB2 )) 2.300 0.700 0.700 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.37870E-02 ppm1 1.186 ppm2 1.589 CV 1 ASSI { 3209} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1888 and name HB3 )) 2.300 0.700 0.700 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.44886E-02 ppm1 1.184 ppm2 2.236 CV 1 ASSI { 3210} (( segid " " and resid 1866 and name HA )) (( segid " " and resid 1869 and name HG2 )) 3.200 1.300 1.300 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.12023E-02 ppm1 3.669 ppm2 2.422 CV 1 OR { 3210} (( segid " " and resid 1866 and name HA )) (( segid " " and resid 1869 and name HG3 )) ASSI { 3213} (( segid " " and resid 1867 and name HA )) (( segid " " and resid 1870 and name HB3 )) 2.500 0.800 0.800 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.30523E-02 ppm1 3.795 ppm2 2.243 CV 1 ASSI { 3215} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1885 and name HA )) 2.800 1.000 1.000 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.25336E-02 ppm1 1.185 ppm2 4.115 CV 1 ASSI { 3216} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1864 and name HA )) 3.400 1.500 1.500 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.24287E-02 ppm1 1.184 ppm2 3.897 CV 1 ASSI { 3217} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1867 and name HA )) 2.400 0.700 0.700 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.59488E-02 ppm1 1.185 ppm2 3.797 CV 1 ASSI { 3218} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1868 and name HA )) 3.200 1.300 1.300 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.11214E-02 ppm1 1.186 ppm2 3.437 CV 1 ASSI { 3219} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1871 and name HG3 )) 2.800 1.000 1.000 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.20269E-02 ppm1 1.184 ppm2 3.027 CV 1 ASSI { 3220} (( segid " " and resid 1867 and name HB )) (( segid " " and resid 1864 and name HA )) 3.000 1.100 1.100 peak 3220 spectrum 1 weight 0.10000E+01 volume 0.14122E-02 ppm1 4.282 ppm2 3.905 CV 1 ASSI { 3223} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1868 and name H )) 2.900 1.100 1.100 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.27885E-02 ppm1 1.185 ppm2 8.460 CV 1 ASSI { 3224} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1870 and name H )) 4.200 2.200 1.800 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.36580E-03 ppm1 1.182 ppm2 8.339 CV 1 ASSI { 3225} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1867 and name H )) 3.400 1.500 1.500 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.21528E-02 ppm1 1.184 ppm2 8.220 CV 1 ASSI { 3226} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1885 and name H )) 4.500 2.500 1.500 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.54271E-03 ppm1 1.187 ppm2 7.238 CV 1 ASSI { 3229} (( segid " " and resid 1867 and name HA )) (( segid " " and resid 1868 and name H )) 3.300 1.300 1.300 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.11154E-02 ppm1 3.795 ppm2 8.463 CV 1 ASSI { 3232} (( segid " " and resid 1866 and name HA )) (( segid " " and resid 1868 and name H )) 4.100 2.100 1.900 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.45276E-03 ppm1 3.672 ppm2 8.461 CV 1 ASSI { 3234} (( segid " " and resid 1866 and name HA )) (( segid " " and resid 1867 and name H )) 3.300 1.400 1.400 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 3.670 ppm2 8.222 CV 1 ASSI { 3235} (( segid " " and resid 1866 and name HA )) (( segid " " and resid 1866 and name H )) 2.600 0.800 0.800 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.34781E-02 ppm1 3.671 ppm2 7.828 CV 1 ASSI { 3236} (( segid " " and resid 1866 and name HA )) (( segid " " and resid 1869 and name H )) 3.300 1.400 1.400 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.14362E-02 ppm1 3.671 ppm2 7.539 CV 1 ASSI { 3237} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1889 and name H )) 2.500 0.800 0.800 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.27525E-02 ppm1 1.184 ppm2 8.606 CV 1 ASSI { 3238} ( segid " " and resid 1866 and name HG1%) ( segid " " and resid 1866 and name HG2%) 2.000 0.500 0.500 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.21351E-01 ppm1 1.053 ppm2 0.925 CV 1 ASSI { 3241} ( segid " " and resid 1866 and name HG1%) ( segid " " and resid 1865 and name HB% ) 3.100 1.200 1.200 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.45755E-02 ppm1 1.052 ppm2 1.549 CV 1 ASSI { 3242} ( segid " " and resid 1823 and name HG2%) (( segid " " and resid 1823 and name HB )) 2.000 0.500 0.500 peak 3242 spectrum 1 weight 0.10000E+01 volume 0.22203E-01 ppm1 0.926 ppm2 2.136 CV 1 OR { 3242} ( segid " " and resid 1823 and name HG1%) (( segid " " and resid 1823 and name HB )) ASSI { 3244} ( segid " " and resid 1866 and name HG1%) (( segid " " and resid 1866 and name HB )) 2.100 0.500 0.500 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.15391E-01 ppm1 1.053 ppm2 2.195 CV 1 ASSI { 3245} (( segid " " and resid 1866 and name HB )) (( segid " " and resid 1863 and name HA )) 3.100 1.200 1.200 peak 3245 spectrum 1 weight 0.10000E+01 volume 0.27735E-02 ppm1 2.194 ppm2 4.115 CV 1 ASSI { 3246} (( segid " " and resid 1866 and name HB )) (( segid " " and resid 1866 and name HA )) 2.800 1.000 1.000 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.20599E-02 ppm1 2.191 ppm2 3.668 CV 1 ASSI { 3247} ( segid " " and resid 1866 and name HG1%) (( segid " " and resid 1866 and name HA )) 2.400 0.700 0.700 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.13577E-01 ppm1 1.052 ppm2 3.667 CV 1 ASSI { 3248} ( segid " " and resid 1824 and name HG2%) (( segid " " and resid 1824 and name HA )) 2.200 0.600 0.600 peak 3248 spectrum 1 weight 0.10000E+01 volume 0.11732E-01 ppm1 0.930 ppm2 4.009 CV 1 ASSI { 3249} ( segid " " and resid 1866 and name HG2%) (( segid " " and resid 1867 and name HA )) 2.500 2.500 3.500 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.64195E-02 ppm1 0.940 ppm2 3.797 CV 1 ASSI { 3250} ( segid " " and resid 1866 and name HG2%) (( segid " " and resid 1866 and name HA )) 2.300 0.700 0.700 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.92293E-02 ppm1 0.928 ppm2 3.666 CV 1 ASSI { 3251} ( segid " " and resid 1946 and name HG2%) (( segid " " and resid 1946 and name HA )) 2.400 0.700 0.700 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.68632E-02 ppm1 1.134 ppm2 3.858 CV 1 ASSI { 3254} ( segid " " and resid 1866 and name HG1%) (( segid " " and resid 1863 and name HA )) 2.500 0.800 0.800 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.45066E-02 ppm1 1.053 ppm2 4.118 CV 1 ASSI { 3257} ( segid " " and resid 1866 and name HG1%) (( segid " " and resid 1866 and name H )) 2.100 0.600 0.600 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.11931E-01 ppm1 1.053 ppm2 7.828 CV 1 ASSI { 3258} ( segid " " and resid 1866 and name HG1%) (( segid " " and resid 1867 and name H )) 2.700 2.700 3.300 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.23627E-02 ppm1 1.056 ppm2 8.220 CV 1 ASSI { 3260} ( segid " " and resid 1824 and name HG1%) (( segid " " and resid 1825 and name H )) 3.100 1.200 1.200 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.19069E-02 ppm1 0.911 ppm2 8.181 CV 1 ASSI { 3261} ( segid " " and resid 1866 and name HG2%) (( segid " " and resid 1866 and name H )) 3.300 1.400 1.400 peak 3261 spectrum 1 weight 0.10000E+01 volume 0.34092E-02 ppm1 0.923 ppm2 7.819 CV 1 ASSI { 3263} ( segid " " and resid 1865 and name HB% ) (( segid " " and resid 1865 and name H )) 2.000 0.500 0.500 peak 3263 spectrum 1 weight 0.10000E+01 volume 0.16563E-01 ppm1 1.559 ppm2 7.806 CV 1 ASSI { 3264} ( segid " " and resid 1865 and name HB% ) (( segid " " and resid 1868 and name H )) 3.900 1.900 1.900 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.11034E-02 ppm1 1.565 ppm2 8.461 CV 1 ASSI { 3267} (( segid " " and resid 1861 and name HA )) (( segid " " and resid 1862 and name H )) 3.400 1.400 1.400 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 3.908 ppm2 8.269 CV 1 ASSI { 3268} (( segid " " and resid 1861 and name HA )) (( segid " " and resid 1864 and name H )) 3.100 1.200 1.200 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.17660E-02 ppm1 3.912 ppm2 8.023 CV 1 ASSI { 3269} (( segid " " and resid 1865 and name HA )) (( segid " " and resid 1869 and name H )) 4.200 2.200 1.800 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.82155E-03 ppm1 3.889 ppm2 7.540 CV 1 ASSI { 3270} (( segid " " and resid 1861 and name HA )) (( segid " " and resid 1863 and name H )) 4.000 2.000 2.000 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.39579E-03 ppm1 3.903 ppm2 7.653 CV 1 ASSI { 3272} ( segid " " and resid 1865 and name HB% ) (( segid " " and resid 1865 and name HA )) 1.900 0.400 0.400 peak 3272 spectrum 1 weight 0.10000E+01 volume 0.21756E-01 ppm1 1.560 ppm2 3.891 CV 1 ASSI { 3273} ( segid " " and resid 1865 and name HB% ) (( segid " " and resid 1866 and name HA )) 3.300 1.300 1.300 peak 3273 spectrum 1 weight 0.10000E+01 volume 0.11484E-02 ppm1 1.562 ppm2 3.671 CV 1 ASSI { 3274} (( segid " " and resid 1865 and name HA )) (( segid " " and resid 1868 and name HA )) 4.500 2.600 1.500 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.69862E-03 ppm1 3.890 ppm2 3.444 CV 1 ASSI { 3278} ( segid " " and resid 1865 and name HB% ) (( segid " " and resid 1961 and name HB )) 3.400 1.500 1.500 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.15412E-02 ppm1 1.557 ppm2 2.354 CV 1 ASSI { 3279} ( segid " " and resid 1865 and name HB% ) (( segid " " and resid 1868 and name HB )) 3.900 1.900 1.900 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.13793E-02 ppm1 1.555 ppm2 2.073 CV 1 ASSI { 3282} ( segid " " and resid 1865 and name HB% ) ( segid " " and resid 1961 and name HG2%) 2.400 0.700 0.700 peak 3282 spectrum 1 weight 0.10000E+01 volume 0.66895E-02 ppm1 1.559 ppm2 1.012 CV 1 ASSI { 3284} ( segid " " and resid 1865 and name HB% ) ( segid " " and resid 1965 and name HD1%) 3.700 1.700 1.700 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 1.558 ppm2 0.833 CV 1 ASSI { 3285} ( segid " " and resid 1865 and name HB% ) ( segid " " and resid 1864 and name HD1%) 4.000 2.000 2.000 peak 3285 spectrum 1 weight 0.10000E+01 volume 0.12113E-02 ppm1 1.563 ppm2 0.731 CV 1 ASSI { 3286} (( segid " " and resid 1865 and name HA )) ( segid " " and resid 1961 and name HG2%) 2.500 0.800 0.800 peak 3286 spectrum 1 weight 0.10000E+01 volume 0.40688E-02 ppm1 3.896 ppm2 1.004 CV 1 ASSI { 3287} (( segid " " and resid 1861 and name HA )) ( segid " " and resid 1961 and name HG1%) 2.500 0.800 0.800 peak 3287 spectrum 1 weight 0.10000E+01 volume 0.72082E-02 ppm1 3.891 ppm2 0.927 CV 1 ASSI { 3288} (( segid " " and resid 1861 and name HA )) ( segid " " and resid 1864 and name HG2%) 2.400 0.700 0.700 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.53251E-02 ppm1 3.910 ppm2 0.820 CV 1 ASSI { 3290} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1864 and name H )) 2.600 0.800 0.800 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.24797E-02 ppm1 0.815 ppm2 8.025 CV 1 ASSI { 3291} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1865 and name H )) 4.300 2.300 1.700 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.88154E-03 ppm1 0.814 ppm2 7.803 CV 1 ASSI { 3292} (( segid " " and resid 1864 and name HG12)) (( segid " " and resid 1864 and name H )) 3.800 1.800 1.800 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.11004E-02 ppm1 1.094 ppm2 8.021 CV 1 ASSI { 3293} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1867 and name H )) 4.400 2.400 1.600 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.38379E-03 ppm1 0.722 ppm2 8.223 CV 1 ASSI { 3294} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1864 and name H )) 3.600 1.600 1.600 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.25247E-02 ppm1 0.720 ppm2 8.022 CV 1 ASSI { 3295} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1865 and name H )) 3.300 1.400 1.400 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.23567E-02 ppm1 0.720 ppm2 7.801 CV 1 ASSI { 3298} (( segid " " and resid 1864 and name HA )) (( segid " " and resid 1867 and name H )) 3.100 1.200 1.200 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.12803E-02 ppm1 3.906 ppm2 8.210 CV 1 ASSI { 3300} (( segid " " and resid 1864 and name HA )) (( segid " " and resid 1865 and name H )) 3.400 1.400 1.400 peak 3300 spectrum 1 weight 0.10000E+01 volume 0.92351E-03 ppm1 3.907 ppm2 7.806 CV 1 ASSI { 3301} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1861 and name H )) 4.100 2.100 1.900 peak 3301 spectrum 1 weight 0.10000E+01 volume 0.47075E-03 ppm1 0.815 ppm2 8.936 CV 1 ASSI { 3303} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1897 and name H )) 4.200 2.200 1.800 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.52772E-03 ppm1 0.814 ppm2 8.484 CV 1 ASSI { 3304} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1868 and name H )) 3.600 1.600 1.600 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.91450E-03 ppm1 0.719 ppm2 8.461 CV 1 ASSI { 3306} (( segid " " and resid 1864 and name HA )) (( segid " " and resid 1863 and name H )) 5.200 3.400 0.800 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.18890E-03 ppm1 3.908 ppm2 7.660 CV 1 ASSI { 3307} (( segid " " and resid 1856 and name HA )) (( segid " " and resid 1859 and name H )) 3.300 1.400 1.400 peak 3307 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 3.905 ppm2 7.199 CV 1 ASSI { 3308} ( segid " " and resid 1864 and name HG2%) ( segid " " and resid 1893 and name HD% ) 3.300 1.400 1.400 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.11423E-02 ppm1 0.816 ppm2 6.791 CV 1 ASSI { 3309} ( segid " " and resid 1864 and name HD1%) ( segid " " and resid 1893 and name HD% ) 4.400 2.500 1.600 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.24887E-03 ppm1 0.718 ppm2 6.788 CV 1 ASSI { 3310} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1865 and name HA )) 2.300 0.700 0.700 peak 3310 spectrum 1 weight 0.10000E+01 volume 0.77721E-02 ppm1 0.720 ppm2 3.904 CV 1 ASSI { 3312} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1860 and name HB )) 4.200 2.200 1.800 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.42877E-03 ppm1 0.813 ppm2 4.085 CV 1 ASSI { 3314} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1893 and name HA )) 2.500 0.800 0.800 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.45245E-02 ppm1 0.815 ppm2 3.819 CV 1 ASSI { 3315} (( segid " " and resid 1864 and name HB )) (( segid " " and resid 1864 and name HA )) 2.500 0.800 0.800 peak 3315 spectrum 1 weight 0.10000E+01 volume 0.31633E-02 ppm1 2.222 ppm2 3.905 CV 1 ASSI { 3317} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1957 and name HA )) 4.000 2.000 2.000 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.92048E-03 ppm1 0.720 ppm2 3.458 CV 1 ASSI { 3319} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1892 and name HB3 )) 2.800 1.000 1.000 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.14812E-02 ppm1 0.814 ppm2 2.762 CV 1 ASSI { 3321} (( segid " " and resid 1864 and name HG12)) (( segid " " and resid 1892 and name HB3 )) 5.300 3.500 0.700 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.55770E-03 ppm1 1.095 ppm2 2.760 CV 1 ASSI { 3322} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1961 and name HB )) 4.300 2.300 1.700 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.15352E-02 ppm1 0.720 ppm2 2.362 CV 1 ASSI { 3323} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1864 and name HB )) 2.200 0.600 0.600 peak 3323 spectrum 1 weight 0.10000E+01 volume 0.69051E-02 ppm1 0.720 ppm2 2.223 CV 1 ASSI { 3324} (( segid " " and resid 1864 and name HG12)) (( segid " " and resid 1892 and name HB2 )) 4.900 3.000 1.100 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.72263E-03 ppm1 1.097 ppm2 2.336 CV 1 ASSI { 3325} (( segid " " and resid 1864 and name HG12)) (( segid " " and resid 1864 and name HB )) 3.200 1.300 1.300 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.81853E-03 ppm1 1.092 ppm2 2.223 CV 1 ASSI { 3326} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1892 and name HB2 )) 2.900 1.100 1.100 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.20899E-02 ppm1 0.815 ppm2 2.343 CV 1 ASSI { 3327} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1864 and name HB )) 2.400 0.700 0.700 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.42877E-02 ppm1 0.815 ppm2 2.224 CV 1 ASSI { 3328} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1864 and name HG13)) 2.700 0.900 0.900 peak 3328 spectrum 1 weight 0.10000E+01 volume 0.51812E-02 ppm1 0.814 ppm2 2.021 CV 1 ASSI { 3329} (( segid " " and resid 1864 and name HG12)) (( segid " " and resid 1864 and name HG13)) 2.300 0.600 0.600 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.24137E-02 ppm1 1.093 ppm2 2.022 CV 1 ASSI { 3330} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1864 and name HG13)) 2.600 0.800 0.800 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.29894E-02 ppm1 0.720 ppm2 2.022 CV 1 ASSI { 3331} (( segid " " and resid 1864 and name HB )) (( segid " " and resid 1864 and name HG13)) 3.300 1.400 1.400 peak 3331 spectrum 1 weight 0.10000E+01 volume 0.10524E-02 ppm1 2.220 ppm2 2.019 CV 1 ASSI { 3332} (( segid " " and resid 1864 and name HA )) (( segid " " and resid 1864 and name HG13)) 2.900 1.100 1.100 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.25636E-02 ppm1 3.911 ppm2 2.020 CV 1 ASSI { 3333} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1896 and name HB3 )) 3.400 1.500 1.500 peak 3333 spectrum 1 weight 0.10000E+01 volume 0.17990E-02 ppm1 0.816 ppm2 1.804 CV 1 ASSI { 3334} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1923 and name HG )) 4.200 2.200 1.800 peak 3334 spectrum 1 weight 0.10000E+01 volume 0.68961E-03 ppm1 0.718 ppm2 1.666 CV 1 ASSI { 3335} (( segid " " and resid 1856 and name HA )) (( segid " " and resid 1859 and name HG3 )) 3.500 1.500 1.500 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.85155E-03 ppm1 3.896 ppm2 1.768 CV 1 ASSI { 3336} (( segid " " and resid 1864 and name HB )) (( segid " " and resid 1889 and name HG )) 3.600 1.700 1.700 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.68362E-03 ppm1 2.224 ppm2 1.540 CV 1 ASSI { 3337} (( segid " " and resid 1881 and name HG3 )) (( segid " " and resid 1874 and name HD3 )) 3.100 1.200 1.200 peak 3337 spectrum 1 weight 0.10000E+01 volume 0.74657E-03 ppm1 2.214 ppm2 1.546 CV 1 ASSI { 3338} (( segid " " and resid 1864 and name HA )) ( segid " " and resid 1863 and name HB% ) 3.400 1.500 1.500 peak 3338 spectrum 1 weight 0.10000E+01 volume 0.11484E-02 ppm1 3.908 ppm2 1.533 CV 1 ASSI { 3339} (( segid " " and resid 1864 and name HG12)) ( segid " " and resid 1863 and name HB% ) 4.900 3.000 1.100 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.44376E-03 ppm1 1.093 ppm2 1.522 CV 1 ASSI { 3341} ( segid " " and resid 1864 and name HD1%) ( segid " " and resid 1861 and name HB% ) 3.900 1.900 1.900 peak 3341 spectrum 1 weight 0.10000E+01 volume 0.12263E-02 ppm1 0.720 ppm2 1.375 CV 1 ASSI { 3342} ( segid " " and resid 1864 and name HG2%) ( segid " " and resid 1863 and name HB% ) 3.500 1.500 1.500 peak 3342 spectrum 1 weight 0.10000E+01 volume 0.12743E-02 ppm1 0.813 ppm2 1.524 CV 1 ASSI { 3344} ( segid " " and resid 1864 and name HG2%) ( segid " " and resid 1860 and name HG2%) 2.500 0.800 0.800 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.57209E-02 ppm1 0.814 ppm2 1.147 CV 1 ASSI { 3345} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1864 and name HG12)) 2.200 0.600 0.600 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.59968E-02 ppm1 0.815 ppm2 1.093 CV 1 ASSI { 3347} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1864 and name HG12)) 2.500 0.800 0.800 peak 3347 spectrum 1 weight 0.10000E+01 volume 0.39669E-02 ppm1 0.720 ppm2 1.088 CV 1 ASSI { 3349} ( segid " " and resid 1864 and name HD1%) ( segid " " and resid 1868 and name HG1%) 2.300 0.600 0.600 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.10260E-01 ppm1 0.719 ppm2 0.945 CV 1 ASSI { 3350} ( segid " " and resid 1864 and name HD1%) ( segid " " and resid 1864 and name HG2%) 2.600 0.800 0.800 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.14752E-01 ppm1 0.719 ppm2 0.813 CV 1 ASSI { 3354} (( segid " " and resid 1864 and name HB )) ( segid " " and resid 1961 and name HG1%) 4.400 2.400 1.600 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.73460E-03 ppm1 2.222 ppm2 0.913 CV 1 ASSI { 3358} (( segid " " and resid 1864 and name HA )) ( segid " " and resid 1864 and name HG2%) 2.800 1.000 1.000 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.28695E-02 ppm1 3.912 ppm2 0.819 CV 1 ASSI { 3364} (( segid " " and resid 1834 and name HA )) ( segid " " and resid 1897 and name HB% ) 3.500 1.500 1.500 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.20269E-02 ppm1 4.116 ppm2 0.983 CV 1 ASSI { 3366} ( segid " " and resid 1863 and name HB% ) ( segid " " and resid 1866 and name HG1%) 3.700 1.700 1.700 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.14182E-02 ppm1 1.522 ppm2 1.056 CV 1 ASSI { 3370} (( segid " " and resid 1834 and name HA )) (( segid " " and resid 1837 and name HB2 )) 4.000 2.000 2.000 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.18380E-02 ppm1 4.115 ppm2 2.075 CV 1 ASSI { 3371} ( segid " " and resid 1863 and name HB% ) (( segid " " and resid 1892 and name HB2 )) 3.900 1.900 1.900 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.99547E-03 ppm1 1.521 ppm2 2.350 CV 1 ASSI { 3372} (( segid " " and resid 1834 and name HA )) (( segid " " and resid 1837 and name HG3 )) 4.200 2.200 1.800 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.11304E-02 ppm1 4.116 ppm2 2.575 CV 1 ASSI { 3373} (( segid " " and resid 1834 and name HA )) (( segid " " and resid 1837 and name HG2 )) 2.800 1.000 1.000 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.11154E-02 ppm1 4.112 ppm2 2.461 CV 1 ASSI { 3374} (( segid " " and resid 1834 and name HA )) (( segid " " and resid 1833 and name HG3 )) 4.400 2.400 1.600 peak 3374 spectrum 1 weight 0.10000E+01 volume 0.30284E-03 ppm1 4.118 ppm2 2.364 CV 1 ASSI { 3375} (( segid " " and resid 1936 and name HA )) (( segid " " and resid 1935 and name HA3 )) 4.000 2.000 2.000 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.47974E-03 ppm1 4.115 ppm2 3.674 CV 1 ASSI { 3376} (( segid " " and resid 1929 and name HA )) (( segid " " and resid 1928 and name HB3 )) 2.900 1.100 1.100 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.20119E-02 ppm1 4.117 ppm2 3.895 CV 1 ASSI { 3377} ( segid " " and resid 1863 and name HB% ) (( segid " " and resid 1860 and name HA )) 2.300 0.700 0.700 peak 3377 spectrum 1 weight 0.10000E+01 volume 0.92621E-02 ppm1 1.522 ppm2 3.888 CV 1 ASSI { 3378} ( segid " " and resid 1863 and name HB% ) (( segid " " and resid 1863 and name HA )) 2.100 0.600 0.600 peak 3378 spectrum 1 weight 0.10000E+01 volume 0.14629E-01 ppm1 1.522 ppm2 4.115 CV 1 ASSI { 3380} ( segid " " and resid 1863 and name HB% ) (( segid " " and resid 1863 and name H )) 2.200 0.600 0.600 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.12626E-01 ppm1 1.522 ppm2 7.651 CV 1 ASSI { 3382} ( segid " " and resid 1863 and name HB% ) (( segid " " and resid 1866 and name H )) 3.700 1.700 1.700 peak 3382 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 1.523 ppm2 7.817 CV 1 ASSI { 3383} ( segid " " and resid 1863 and name HB% ) (( segid " " and resid 1864 and name H )) 2.500 0.800 0.800 peak 3383 spectrum 1 weight 0.10000E+01 volume 0.47854E-02 ppm1 1.522 ppm2 8.021 CV 1 ASSI { 3384} (( segid " " and resid 1863 and name HA )) (( segid " " and resid 1864 and name H )) 3.100 1.200 1.200 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.15292E-02 ppm1 4.118 ppm2 8.022 CV 1 ASSI { 3385} ( segid " " and resid 1863 and name HB% ) (( segid " " and resid 1862 and name H )) 4.000 2.000 2.000 peak 3385 spectrum 1 weight 0.10000E+01 volume 0.11604E-02 ppm1 1.520 ppm2 8.264 CV 1 ASSI { 3386} (( segid " " and resid 1834 and name HA )) (( segid " " and resid 1835 and name H )) 3.400 1.400 1.400 peak 3386 spectrum 1 weight 0.10000E+01 volume 0.81853E-03 ppm1 4.115 ppm2 8.447 CV 1 ASSI { 3390} (( segid " " and resid 1861 and name HA )) ( segid " " and resid 1860 and name HG2%) 3.600 1.600 1.600 peak 3390 spectrum 1 weight 0.10000E+01 volume 0.71664E-03 ppm1 3.912 ppm2 1.151 CV 1 ASSI { 3391} ( segid " " and resid 1861 and name HB% ) ( segid " " and resid 1860 and name HG2%) 5.300 3.500 0.700 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.17391E-03 ppm1 1.382 ppm2 1.148 CV 1 ASSI { 3392} ( segid " " and resid 1861 and name HB% ) ( segid " " and resid 1865 and name HB% ) 5.300 3.500 0.700 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.50373E-03 ppm1 1.376 ppm2 1.570 CV 1 ASSI { 3393} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1965 and name HG )) 2.700 0.900 0.900 peak 3393 spectrum 1 weight 0.10000E+01 volume 0.29564E-02 ppm1 1.379 ppm2 1.707 CV 1 ASSI { 3394} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1857 and name HB3 )) 3.100 1.200 1.200 peak 3394 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 1.387 ppm2 1.869 CV 1 ASSI { 3395} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1961 and name HB )) 4.700 2.800 1.300 peak 3395 spectrum 1 weight 0.10000E+01 volume 0.58469E-03 ppm1 1.372 ppm2 2.360 CV 1 ASSI { 3396} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1961 and name HA )) 3.500 1.500 1.500 peak 3396 spectrum 1 weight 0.10000E+01 volume 0.98047E-03 ppm1 1.374 ppm2 3.469 CV 1 ASSI { 3397} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1858 and name HA )) 2.700 0.900 0.900 peak 3397 spectrum 1 weight 0.10000E+01 volume 0.39698E-02 ppm1 1.378 ppm2 3.384 CV 1 ASSI { 3398} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1861 and name HA )) 2.100 0.500 0.500 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.11658E-01 ppm1 1.379 ppm2 3.906 CV 1 ASSI { 3399} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1860 and name HB )) 4.000 2.000 2.000 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.96547E-03 ppm1 1.378 ppm2 4.081 CV 1 ASSI { 3400} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1889 and name HA )) 4.000 2.000 2.000 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.13163E-02 ppm1 0.721 ppm2 4.278 CV 1 ASSI { 3401} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1889 and name HA )) 4.000 2.000 2.000 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.56670E-03 ppm1 0.815 ppm2 4.287 CV 1 ASSI { 3402} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1863 and name H )) 4.200 2.200 1.800 peak 3402 spectrum 1 weight 0.10000E+01 volume 0.62366E-03 ppm1 1.376 ppm2 7.656 CV 1 ASSI { 3403} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1864 and name H )) 4.200 2.200 1.800 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.56370E-03 ppm1 1.382 ppm2 8.014 CV 1 ASSI { 3404} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1862 and name H )) 2.500 0.800 0.800 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.39908E-02 ppm1 1.378 ppm2 8.271 CV 1 ASSI { 3405} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1964 and name H )) 3.800 1.800 1.800 peak 3405 spectrum 1 weight 0.10000E+01 volume 0.10584E-02 ppm1 1.377 ppm2 8.183 CV 1 ASSI { 3406} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1861 and name H )) 2.200 0.600 0.600 peak 3406 spectrum 1 weight 0.10000E+01 volume 0.81615E-02 ppm1 1.379 ppm2 8.934 CV 1 ASSI { 3407} (( segid " " and resid 1861 and name HA )) (( segid " " and resid 1861 and name H )) 2.800 1.000 1.000 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.25696E-02 ppm1 3.913 ppm2 8.934 CV 1 ASSI { 3412} ( segid " " and resid 1860 and name HG2%) ( segid " " and resid 1863 and name HB% ) 2.900 1.100 1.100 peak 3412 spectrum 1 weight 0.10000E+01 volume 0.31723E-02 ppm1 1.159 ppm2 1.529 CV 1 ASSI { 3413} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1896 and name HB3 )) 3.300 1.300 1.300 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.37599E-02 ppm1 1.157 ppm2 1.798 CV 1 ASSI { 3414} (( segid " " and resid 1860 and name HB )) (( segid " " and resid 1859 and name HB2 )) 4.500 2.600 1.500 peak 3414 spectrum 1 weight 0.10000E+01 volume 0.42577E-03 ppm1 4.094 ppm2 1.898 CV 1 ASSI { 3415} (( segid " " and resid 1860 and name HB )) (( segid " " and resid 1896 and name HB3 )) 4.700 2.700 1.300 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.49473E-03 ppm1 4.098 ppm2 1.793 CV 1 ASSI { 3417} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1892 and name HB2 )) 3.400 1.500 1.500 peak 3417 spectrum 1 weight 0.10000E+01 volume 0.34781E-02 ppm1 1.159 ppm2 2.343 CV 1 ASSI { 3418} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1892 and name HB3 )) 2.800 1.000 1.000 peak 3418 spectrum 1 weight 0.10000E+01 volume 0.17901E-02 ppm1 1.156 ppm2 2.758 CV 1 ASSI { 3419} (( segid " " and resid 1856 and name HB )) (( segid " " and resid 1857 and name HG3 )) 3.800 1.800 1.800 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.42877E-03 ppm1 4.174 ppm2 2.880 CV 1 ASSI { 3420} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1860 and name HB )) 2.200 0.600 0.600 peak 3420 spectrum 1 weight 0.10000E+01 volume 0.72713E-02 ppm1 1.158 ppm2 4.088 CV 1 ASSI { 3421} (( segid " " and resid 1860 and name HB )) (( segid " " and resid 1857 and name HA )) 2.500 0.800 0.800 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.36340E-02 ppm1 4.089 ppm2 3.892 CV 1 ASSI { 3423} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1899 and name HE22)) 4.300 2.300 1.700 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.32383E-03 ppm1 1.163 ppm2 6.282 CV 1 ASSI { 3424} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1899 and name HE21)) 4.200 2.200 1.800 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.46475E-03 ppm1 1.166 ppm2 7.187 CV 1 ASSI { 3425} (( segid " " and resid 1860 and name HA )) (( segid " " and resid 1859 and name H )) 4.700 2.800 1.300 peak 3425 spectrum 1 weight 0.10000E+01 volume 0.41378E-03 ppm1 3.881 ppm2 7.189 CV 1 ASSI { 3426} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1895 and name H )) 3.800 1.900 1.900 peak 3426 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 1.159 ppm2 7.706 CV 1 ASSI { 3427} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1863 and name H )) 3.800 1.800 1.800 peak 3427 spectrum 1 weight 0.10000E+01 volume 0.81254E-03 ppm1 1.159 ppm2 7.648 CV 1 ASSI { 3428} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1860 and name H )) 3.600 1.600 1.600 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.20209E-02 ppm1 1.158 ppm2 8.194 CV 1 ASSI { 3429} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1896 and name H )) 2.700 0.900 0.900 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.34092E-02 ppm1 1.158 ppm2 8.099 CV 1 ASSI { 3431} (( segid " " and resid 1946 and name HA )) (( segid " " and resid 1946 and name H )) 2.800 1.000 1.000 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.22998E-02 ppm1 3.859 ppm2 8.133 CV 1 ASSI { 3435} (( segid " " and resid 1856 and name HB )) (( segid " " and resid 1857 and name H )) 2.700 0.900 0.900 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.24137E-02 ppm1 4.173 ppm2 8.842 CV 1 ASSI { 3436} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1892 and name H )) 4.500 2.500 1.500 peak 3436 spectrum 1 weight 0.10000E+01 volume 0.51872E-03 ppm1 1.149 ppm2 8.758 CV 1 ASSI { 3437} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1861 and name H )) 3.500 1.500 1.500 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.15562E-02 ppm1 1.159 ppm2 8.935 CV 1 ASSI { 3439} (( segid " " and resid 1858 and name HA )) ( segid " " and resid 1965 and name HD2%) 2.300 0.700 0.700 peak 3439 spectrum 1 weight 0.10000E+01 volume 0.52382E-02 ppm1 3.387 ppm2 0.932 CV 1 ASSI { 3442} ( segid " " and resid 1858 and name HG1%) ( segid " " and resid 1858 and name HG2%) 2.000 0.500 0.500 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.20143E-01 ppm1 1.023 ppm2 0.843 CV 1 ASSI { 3443} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1862 and name HG2 )) 3.100 1.200 1.200 peak 3443 spectrum 1 weight 0.10000E+01 volume 0.60357E-02 ppm1 0.847 ppm2 1.335 CV 1 ASSI { 3444} ( segid " " and resid 1858 and name HG1%) (( segid " " and resid 1968 and name HB3 )) 2.600 0.800 0.800 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.54540E-02 ppm1 1.022 ppm2 1.423 CV 1 ASSI { 3445} ( segid " " and resid 1858 and name HG1%) (( segid " " and resid 1854 and name HG3 )) 2.400 0.700 0.700 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.47225E-02 ppm1 1.024 ppm2 1.927 CV 1 ASSI { 3446} ( segid " " and resid 1858 and name HG1%) (( segid " " and resid 1969 and name HG3 )) 3.800 1.800 1.800 peak 3446 spectrum 1 weight 0.10000E+01 volume 0.13882E-02 ppm1 1.021 ppm2 2.320 CV 1 ASSI { 3447} ( segid " " and resid 1858 and name HG1%) (( segid " " and resid 1858 and name HA )) 2.300 0.600 0.600 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.93162E-02 ppm1 1.023 ppm2 3.383 CV 1 ASSI { 3448} ( segid " " and resid 1858 and name HG1%) (( segid " " and resid 1855 and name HA )) 3.000 1.100 1.100 peak 3448 spectrum 1 weight 0.10000E+01 volume 0.22698E-02 ppm1 1.025 ppm2 3.742 CV 1 ASSI { 3449} ( segid " " and resid 1858 and name HG1%) (( segid " " and resid 1965 and name HA )) 2.700 0.900 0.900 peak 3449 spectrum 1 weight 0.10000E+01 volume 0.35891E-02 ppm1 1.023 ppm2 3.897 CV 1 ASSI { 3450} (( segid " " and resid 1858 and name HA )) (( segid " " and resid 1965 and name HA )) 3.700 1.700 1.700 peak 3450 spectrum 1 weight 0.10000E+01 volume 0.11423E-02 ppm1 3.386 ppm2 3.900 CV 1 ASSI { 3451} (( segid " " and resid 1858 and name HA )) (( segid " " and resid 1859 and name H )) 3.300 1.400 1.400 peak 3451 spectrum 1 weight 0.10000E+01 volume 0.85451E-03 ppm1 3.388 ppm2 7.197 CV 1 ASSI { 3452} (( segid " " and resid 1858 and name HB )) (( segid " " and resid 1859 and name H )) 3.400 1.400 1.400 peak 3452 spectrum 1 weight 0.10000E+01 volume 0.20209E-02 ppm1 2.106 ppm2 7.197 CV 1 ASSI { 3453} ( segid " " and resid 1858 and name HG1%) (( segid " " and resid 1859 and name H )) 3.600 1.700 1.700 peak 3453 spectrum 1 weight 0.10000E+01 volume 0.21558E-02 ppm1 1.023 ppm2 7.197 CV 1 ASSI { 3454} ( segid " " and resid 1944 and name HG2%) (( segid " " and resid 1944 and name H )) 2.300 0.700 0.700 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.87852E-02 ppm1 0.891 ppm2 8.299 CV 1 ASSI { 3455} (( segid " " and resid 1858 and name HA )) (( segid " " and resid 1858 and name H )) 2.700 0.900 0.900 peak 3455 spectrum 1 weight 0.10000E+01 volume 0.23357E-02 ppm1 3.386 ppm2 8.528 CV 1 ASSI { 3456} ( segid " " and resid 1858 and name HG1%) (( segid " " and resid 1858 and name H )) 2.200 0.600 0.600 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.76845E-02 ppm1 1.023 ppm2 8.529 CV 1 ASSI { 3458} (( segid " " and resid 1858 and name HA )) (( segid " " and resid 1857 and name H )) 4.900 3.000 1.100 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.26386E-03 ppm1 3.379 ppm2 8.841 CV 1 ASSI { 3459} ( segid " " and resid 1858 and name HG1%) (( segid " " and resid 1857 and name H )) 3.800 1.800 1.800 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.13793E-02 ppm1 1.020 ppm2 8.836 CV 1 ASSI { 3460} (( segid " " and resid 1874 and name HG2 )) (( segid " " and resid 1874 and name H )) 2.800 0.900 0.900 peak 3460 spectrum 1 weight 0.10000E+01 volume 0.25247E-02 ppm1 1.427 ppm2 8.846 CV 1 OR { 3460} (( segid " " and resid 1874 and name HG3 )) (( segid " " and resid 1874 and name H )) ASSI { 3461} (( segid " " and resid 1856 and name HB )) ( segid " " and resid 1856 and name HG2%) 2.300 0.700 0.700 peak 3461 spectrum 1 weight 0.10000E+01 volume 0.75108E-02 ppm1 4.173 ppm2 1.143 CV 1 ASSI { 3462} (( segid " " and resid 1856 and name HB )) (( segid " " and resid 1859 and name HB2 )) 4.000 2.000 2.000 peak 3462 spectrum 1 weight 0.10000E+01 volume 0.61467E-03 ppm1 4.173 ppm2 1.906 CV 1 ASSI { 3463} (( segid " " and resid 1856 and name HA )) (( segid " " and resid 1859 and name HB2 )) 2.500 0.800 0.800 peak 3463 spectrum 1 weight 0.10000E+01 volume 0.38859E-02 ppm1 3.899 ppm2 1.913 CV 1 ASSI { 3464} (( segid " " and resid 1856 and name HB )) (( segid " " and resid 1899 and name HG3 )) 4.200 2.200 1.800 peak 3464 spectrum 1 weight 0.10000E+01 volume 0.50373E-03 ppm1 4.173 ppm2 2.447 CV 1 ASSI { 3465} (( segid " " and resid 1856 and name HA )) (( segid " " and resid 1859 and name HD2 )) 3.400 1.400 1.400 peak 3465 spectrum 1 weight 0.10000E+01 volume 0.11334E-02 ppm1 3.898 ppm2 3.142 CV 1 OR { 3465} (( segid " " and resid 1856 and name HA )) (( segid " " and resid 1859 and name HD3 )) ASSI { 3466} (( segid " " and resid 1856 and name HB )) (( segid " " and resid 1856 and name HA )) 2.600 0.900 0.900 peak 3466 spectrum 1 weight 0.10000E+01 volume 0.49143E-02 ppm1 4.173 ppm2 3.896 CV 1 ASSI { 3468} (( segid " " and resid 1856 and name HB )) (( segid " " and resid 1856 and name H )) 2.600 0.800 0.800 peak 3468 spectrum 1 weight 0.10000E+01 volume 0.37390E-02 ppm1 4.174 ppm2 7.461 CV 1 ASSI { 3470} (( segid " " and resid 1856 and name HA )) (( segid " " and resid 1856 and name H )) 2.800 0.900 0.900 peak 3470 spectrum 1 weight 0.10000E+01 volume 0.31303E-02 ppm1 3.899 ppm2 7.460 CV 1 ASSI { 3471} ( segid " " and resid 1856 and name HG2%) (( segid " " and resid 1856 and name H )) 3.200 1.300 1.300 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.44826E-02 ppm1 1.144 ppm2 7.465 CV 1 ASSI { 3472} ( segid " " and resid 1856 and name HG2%) (( segid " " and resid 1899 and name HE21)) 3.900 1.900 1.900 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.18140E-02 ppm1 1.141 ppm2 7.177 CV 1 ASSI { 3473} (( segid " " and resid 1856 and name HA )) (( segid " " and resid 1857 and name H )) 3.400 1.500 1.500 peak 3473 spectrum 1 weight 0.10000E+01 volume 0.99244E-03 ppm1 3.901 ppm2 8.845 CV 1 ASSI { 3474} ( segid " " and resid 1856 and name HG2%) (( segid " " and resid 1857 and name H )) 3.300 1.400 1.400 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.21018E-02 ppm1 1.141 ppm2 8.845 CV 1 ASSI { 3475} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1873 and name HB )) 2.000 0.500 0.500 peak 3475 spectrum 1 weight 0.10000E+01 volume 0.15226E-01 ppm1 1.199 ppm2 4.207 CV 1 ASSI { 3477} ( segid " " and resid 1856 and name HG2%) (( segid " " and resid 1857 and name HG2 )) 3.800 1.800 1.800 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.95646E-03 ppm1 1.144 ppm2 2.341 CV 1 ASSI { 3480} (( segid " " and resid 1873 and name HB )) (( segid " " and resid 1873 and name HA )) 2.900 1.000 1.000 peak 3480 spectrum 1 weight 0.10000E+01 volume 0.25846E-02 ppm1 4.209 ppm2 3.918 CV 1 ASSI { 3482} ( segid " " and resid 1932 and name HG2%) (( segid " " and resid 1929 and name HA )) 2.800 1.000 1.000 peak 3482 spectrum 1 weight 0.10000E+01 volume 0.33012E-02 ppm1 1.174 ppm2 4.119 CV 1 ASSI { 3484} (( segid " " and resid 1855 and name HB )) (( segid " " and resid 1856 and name H )) 2.900 1.000 1.000 peak 3484 spectrum 1 weight 0.10000E+01 volume 0.27795E-02 ppm1 4.216 ppm2 7.461 CV 1 ASSI { 3485} (( segid " " and resid 1873 and name HB )) (( segid " " and resid 1873 and name H )) 2.300 0.700 0.700 peak 3485 spectrum 1 weight 0.10000E+01 volume 0.43627E-02 ppm1 4.208 ppm2 8.179 CV 1 ASSI { 3486} (( segid " " and resid 1855 and name HB )) (( segid " " and resid 1855 and name H )) 2.700 0.900 0.900 peak 3486 spectrum 1 weight 0.10000E+01 volume 0.33162E-02 ppm1 4.215 ppm2 8.118 CV 1 ASSI { 3488} (( segid " " and resid 1854 and name HB2 )) ( segid " " and resid 1968 and name HD1%) 3.200 3.200 2.800 peak 3488 spectrum 1 weight 0.10000E+01 volume 0.78255E-03 ppm1 1.310 ppm2 0.915 CV 1 ASSI { 3489} (( segid " " and resid 1854 and name HB3 )) ( segid " " and resid 1858 and name HG1%) 3.700 1.700 1.700 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.10314E-02 ppm1 2.064 ppm2 1.024 CV 1 ASSI { 3491} (( segid " " and resid 1854 and name HG3 )) ( segid " " and resid 1968 and name HD1%) 2.800 1.000 1.000 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.17120E-02 ppm1 1.932 ppm2 0.921 CV 1 ASSI { 3492} (( segid " " and resid 1854 and name HG3 )) ( segid " " and resid 1858 and name HG2%) 4.000 2.000 2.000 peak 3492 spectrum 1 weight 0.10000E+01 volume 0.77959E-03 ppm1 1.926 ppm2 0.834 CV 1 ASSI { 3493} (( segid " " and resid 1854 and name HG2 )) ( segid " " and resid 1858 and name HG1%) 2.800 1.000 1.000 peak 3493 spectrum 1 weight 0.10000E+01 volume 0.22008E-02 ppm1 2.064 ppm2 1.022 CV 1 ASSI { 3494} (( segid " " and resid 1854 and name HG2 )) ( segid " " and resid 1851 and name HG2%) 3.100 3.100 2.900 peak 3494 spectrum 1 weight 0.10000E+01 volume 0.20269E-02 ppm1 2.064 ppm2 0.921 CV 1 ASSI { 3495} (( segid " " and resid 1857 and name HB2 )) (( segid " " and resid 1968 and name HG )) 2.900 1.000 1.000 peak 3495 spectrum 1 weight 0.10000E+01 volume 0.10704E-02 ppm1 2.061 ppm2 0.791 CV 1 ASSI { 3496} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1968 and name HB3 )) 4.200 2.200 1.800 peak 3496 spectrum 1 weight 0.10000E+01 volume 0.12473E-02 ppm1 2.065 ppm2 1.418 CV 1 ASSI { 3498} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1854 and name HB2 )) 2.900 1.100 1.100 peak 3498 spectrum 1 weight 0.10000E+01 volume 0.35321E-02 ppm1 2.062 ppm2 1.311 CV 1 ASSI { 3499} (( segid " " and resid 1854 and name HG3 )) (( segid " " and resid 1854 and name HB2 )) 2.500 0.800 0.800 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.25906E-02 ppm1 1.930 ppm2 1.311 CV 1 ASSI { 3501} (( segid " " and resid 1854 and name HB3 )) (( segid " " and resid 1854 and name HB2 )) 2.000 0.500 0.500 peak 3501 spectrum 1 weight 0.10000E+01 volume 0.48154E-02 ppm1 2.052 ppm2 1.311 CV 1 ASSI { 3502} (( segid " " and resid 1854 and name HB2 )) (( segid " " and resid 1854 and name HB3 )) 2.000 0.500 0.500 peak 3502 spectrum 1 weight 0.10000E+01 volume 0.67976E-02 ppm1 1.312 ppm2 2.051 CV 1 OR { 3502} (( segid " " and resid 1854 and name HB2 )) (( segid " " and resid 1854 and name HG2 )) ASSI { 3504} (( segid " " and resid 1911 and name HB3 )) (( segid " " and resid 1911 and name HG3 )) 2.500 0.800 0.800 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.68330E-02 ppm1 2.041 ppm2 2.180 CV 1 ASSI { 3507} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1854 and name HA )) 3.100 1.200 1.200 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.23327E-02 ppm1 2.063 ppm2 3.450 CV 1 ASSI { 3509} (( segid " " and resid 1843 and name HB2 )) (( segid " " and resid 1843 and name HG2 )) 3.500 1.600 1.600 peak 3509 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 2.024 ppm2 2.560 CV 1 ASSI { 3510} (( segid " " and resid 1843 and name HB3 )) (( segid " " and resid 1843 and name HG2 )) 3.200 1.300 1.300 peak 3510 spectrum 1 weight 0.10000E+01 volume 0.99547E-03 ppm1 1.936 ppm2 2.559 CV 1 ASSI { 3511} (( segid " " and resid 1843 and name HB2 )) (( segid " " and resid 1843 and name HG3 )) 3.400 1.500 1.500 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.79156E-03 ppm1 2.013 ppm2 2.494 CV 1 ASSI { 3512} (( segid " " and resid 1843 and name HB3 )) (( segid " " and resid 1843 and name HG3 )) 3.900 1.900 1.900 peak 3512 spectrum 1 weight 0.10000E+01 volume 0.61767E-03 ppm1 1.936 ppm2 2.508 CV 1 ASSI { 3516} (( segid " " and resid 1854 and name HA )) (( segid " " and resid 1855 and name HA )) 3.700 1.700 1.700 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.77656E-03 ppm1 3.452 ppm2 3.737 CV 1 ASSI { 3518} (( segid " " and resid 1854 and name HA )) (( segid " " and resid 1968 and name HA )) 5.700 4.100 0.300 peak 3518 spectrum 1 weight 0.10000E+01 volume 0.44076E-03 ppm1 3.455 ppm2 4.164 CV 1 ASSI { 3519} (( segid " " and resid 1853 and name HA )) ( segid " " and resid 1903 and name HB% ) 4.300 2.300 1.700 peak 3519 spectrum 1 weight 0.10000E+01 volume 0.75262E-03 ppm1 4.103 ppm2 1.260 CV 1 ASSI { 3520} (( segid " " and resid 1853 and name HA )) ( segid " " and resid 1856 and name HG2%) 4.000 2.000 2.000 peak 3520 spectrum 1 weight 0.10000E+01 volume 0.93851E-03 ppm1 4.105 ppm2 1.144 CV 1 ASSI { 3523} (( segid " " and resid 1853 and name HB2 )) (( segid " " and resid 1853 and name HB3 )) 2.400 0.700 0.700 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.25726E-02 ppm1 2.824 ppm2 2.535 CV 1 ASSI { 3527} (( segid " " and resid 1874 and name HG3 )) (( segid " " and resid 1878 and name HB2 )) 4.100 2.100 1.900 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.10284E-02 ppm1 1.431 ppm2 3.906 CV 1 OR { 3527} (( segid " " and resid 1874 and name HG2 )) (( segid " " and resid 1878 and name HB2 )) ASSI { 3528} (( segid " " and resid 1874 and name HG3 )) (( segid " " and resid 1871 and name HA )) 3.800 1.800 1.800 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.14212E-02 ppm1 1.424 ppm2 3.675 CV 1 ASSI { 3529} (( segid " " and resid 1874 and name HE3 )) (( segid " " and resid 1878 and name HB3 )) 4.700 2.700 1.300 peak 3529 spectrum 1 weight 0.10000E+01 volume 0.60268E-03 ppm1 2.951 ppm2 3.670 CV 1 ASSI { 3530} (( segid " " and resid 1947 and name HE2 )) (( segid " " and resid 1944 and name HA )) 3.100 1.200 1.200 peak 3530 spectrum 1 weight 0.10000E+01 volume 0.15621E-02 ppm1 2.934 ppm2 3.649 CV 1 OR { 3530} (( segid " " and resid 1947 and name HE3 )) (( segid " " and resid 1944 and name HA )) ASSI { 3534} (( segid " " and resid 1854 and name HG3 )) ( segid " " and resid 1850 and name HE% ) 3.700 1.800 1.800 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.80656E-03 ppm1 1.927 ppm2 7.169 CV 1 ASSI { 3535} (( segid " " and resid 1854 and name HG3 )) (( segid " " and resid 1854 and name HE22)) 3.800 1.800 1.800 peak 3535 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 1.929 ppm2 6.953 CV 1 ASSI { 3536} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1854 and name HE22)) 3.700 1.700 1.700 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.17840E-02 ppm1 2.063 ppm2 6.954 CV 1 ASSI { 3537} (( segid " " and resid 1853 and name HB3 )) (( segid " " and resid 1853 and name H )) 3.900 1.900 1.900 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.13853E-02 ppm1 2.543 ppm2 7.190 CV 1 ASSI { 3538} (( segid " " and resid 1853 and name HA )) (( segid " " and resid 1853 and name H )) 2.900 1.000 1.000 peak 3538 spectrum 1 weight 0.10000E+01 volume 0.21738E-02 ppm1 4.108 ppm2 7.191 CV 1 ASSI { 3539} (( segid " " and resid 1853 and name HA )) ( segid " " and resid 1853 and name HD% ) 2.700 0.900 0.900 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.34061E-02 ppm1 4.109 ppm2 6.957 CV 1 ASSI { 3540} (( segid " " and resid 1853 and name HA )) ( segid " " and resid 1853 and name HE% ) 4.600 2.600 1.400 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.44376E-03 ppm1 4.103 ppm2 6.667 CV 1 ASSI { 3541} (( segid " " and resid 1853 and name HB2 )) ( segid " " and resid 1853 and name HE% ) 4.900 3.000 1.100 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.36880E-03 ppm1 2.821 ppm2 6.664 CV 1 ASSI { 3542} (( segid " " and resid 1853 and name HA )) (( segid " " and resid 1856 and name H )) 3.600 1.600 1.600 peak 3542 spectrum 1 weight 0.10000E+01 volume 0.74361E-03 ppm1 4.105 ppm2 7.461 CV 1 ASSI { 3543} (( segid " " and resid 1854 and name HG3 )) (( segid " " and resid 1854 and name HE21)) 2.500 0.800 0.800 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.18919E-02 ppm1 1.932 ppm2 7.531 CV 1 ASSI { 3544} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1854 and name HE21)) 3.100 1.200 1.200 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.22938E-02 ppm1 2.062 ppm2 7.530 CV 1 ASSI { 3545} (( segid " " and resid 1854 and name HG3 )) (( segid " " and resid 1855 and name H )) 4.200 2.200 1.800 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.71664E-03 ppm1 1.932 ppm2 8.114 CV 1 ASSI { 3546} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1855 and name H )) 3.300 1.400 1.400 peak 3546 spectrum 1 weight 0.10000E+01 volume 0.83958E-03 ppm1 2.061 ppm2 8.118 CV 1 ASSI { 3547} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1854 and name H )) 3.800 1.800 1.800 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.17361E-02 ppm1 2.063 ppm2 8.840 CV 1 ASSI { 3548} (( segid " " and resid 1854 and name HG3 )) (( segid " " and resid 1854 and name H )) 4.000 2.000 2.000 peak 3548 spectrum 1 weight 0.10000E+01 volume 0.11964E-02 ppm1 1.933 ppm2 8.841 CV 1 ASSI { 3551} (( segid " " and resid 1852 and name HA )) ( segid " " and resid 1851 and name HG1%) 4.100 2.100 1.900 peak 3551 spectrum 1 weight 0.10000E+01 volume 0.48574E-03 ppm1 4.254 ppm2 1.037 CV 1 ASSI { 3552} (( segid " " and resid 1874 and name HA )) (( segid " " and resid 1874 and name HB3 )) 2.300 0.700 0.700 peak 3552 spectrum 1 weight 0.10000E+01 volume 0.53851E-02 ppm1 4.222 ppm2 1.691 CV 1 OR { 3552} (( segid " " and resid 1874 and name HA )) (( segid " " and resid 1874 and name HB2 )) ASSI { 3553} (( segid " " and resid 1874 and name HA )) (( segid " " and resid 1874 and name HD3 )) 2.700 0.900 0.900 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.30463E-02 ppm1 4.223 ppm2 1.545 CV 1 ASSI { 3554} (( segid " " and resid 1874 and name HA )) (( segid " " and resid 1874 and name HG2 )) 2.400 0.700 0.700 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.39458E-02 ppm1 4.221 ppm2 1.430 CV 1 ASSI { 3556} (( segid " " and resid 1852 and name HA )) (( segid " " and resid 1852 and name HB3 )) 3.000 1.100 1.100 peak 3556 spectrum 1 weight 0.10000E+01 volume 0.32112E-02 ppm1 4.245 ppm2 2.537 CV 1 ASSI { 3565} (( segid " " and resid 1852 and name HA )) (( segid " " and resid 1852 and name H )) 2.800 0.900 0.900 peak 3565 spectrum 1 weight 0.10000E+01 volume 0.31273E-02 ppm1 4.248 ppm2 7.328 CV 1 ASSI { 3566} (( segid " " and resid 1852 and name HA )) (( segid " " and resid 1853 and name H )) 3.400 1.400 1.400 peak 3566 spectrum 1 weight 0.10000E+01 volume 0.13193E-02 ppm1 4.246 ppm2 7.190 CV 1 ASSI { 3567} (( segid " " and resid 1852 and name HB2 )) ( segid " " and resid 1853 and name HD% ) 5.300 3.500 0.700 peak 3567 spectrum 1 weight 0.10000E+01 volume 0.28185E-03 ppm1 2.353 ppm2 6.951 CV 1 ASSI { 3568} (( segid " " and resid 1852 and name HB3 )) ( segid " " and resid 1853 and name HD% ) 4.100 2.100 1.900 peak 3568 spectrum 1 weight 0.10000E+01 volume 0.33282E-03 ppm1 2.538 ppm2 6.949 CV 1 ASSI { 3569} (( segid " " and resid 1852 and name HA )) (( segid " " and resid 1856 and name H )) 4.000 2.000 2.000 peak 3569 spectrum 1 weight 0.10000E+01 volume 0.41678E-03 ppm1 4.248 ppm2 7.459 CV 1 ASSI { 3570} (( segid " " and resid 1874 and name HA )) (( segid " " and resid 1877 and name H )) 3.400 1.400 1.400 peak 3570 spectrum 1 weight 0.10000E+01 volume 0.74959E-03 ppm1 4.220 ppm2 7.609 CV 1 ASSI { 3573} (( segid " " and resid 1874 and name HA )) (( segid " " and resid 1874 and name H )) 2.600 0.800 0.800 peak 3573 spectrum 1 weight 0.10000E+01 volume 0.28724E-02 ppm1 4.223 ppm2 8.846 CV 1 ASSI { 3575} (( segid " " and resid 1852 and name HB3 )) (( segid " " and resid 1854 and name H )) 5.100 3.300 0.900 peak 3575 spectrum 1 weight 0.10000E+01 volume 0.23088E-03 ppm1 2.532 ppm2 8.841 CV 1 ASSI { 3578} (( segid " " and resid 1851 and name HA )) (( segid " " and resid 1855 and name H )) 3.900 1.900 1.900 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 3.738 ppm2 8.115 CV 1 ASSI { 3579} (( segid " " and resid 1851 and name HA )) ( segid " " and resid 1850 and name HD% ) 3.200 1.300 1.300 peak 3579 spectrum 1 weight 0.10000E+01 volume 0.11244E-02 ppm1 3.735 ppm2 7.228 CV 1 ASSI { 3581} (( segid " " and resid 1851 and name HB )) (( segid " " and resid 1851 and name HA )) 2.400 0.700 0.700 peak 3581 spectrum 1 weight 0.10000E+01 volume 0.54450E-02 ppm1 2.019 ppm2 3.733 CV 1 ASSI { 3582} (( segid " " and resid 1851 and name HA )) (( segid " " and resid 1854 and name HA )) 4.700 2.800 1.300 peak 3582 spectrum 1 weight 0.10000E+01 volume 0.72861E-03 ppm1 3.735 ppm2 3.449 CV 1 ASSI { 3583} (( segid " " and resid 1851 and name HA )) (( segid " " and resid 1854 and name HB3 )) 2.000 0.500 0.500 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.88180E-02 ppm1 3.734 ppm2 2.032 CV 1 ASSI { 3584} (( segid " " and resid 1851 and name HA )) (( segid " " and resid 1854 and name HG3 )) 4.300 2.300 1.700 peak 3584 spectrum 1 weight 0.10000E+01 volume 0.10314E-02 ppm1 3.733 ppm2 1.929 CV 1 ASSI { 3585} (( segid " " and resid 1851 and name HA )) (( segid " " and resid 1854 and name HB2 )) 3.200 1.300 1.300 peak 3585 spectrum 1 weight 0.10000E+01 volume 0.25756E-02 ppm1 3.735 ppm2 1.310 CV 1 ASSI { 3587} (( segid " " and resid 1851 and name HA )) ( segid " " and resid 1851 and name HG2%) 2.600 0.900 0.900 peak 3587 spectrum 1 weight 0.10000E+01 volume 0.44556E-02 ppm1 3.737 ppm2 0.909 CV 1 ASSI { 3592} ( segid " " and resid 1851 and name HG2%) (( segid " " and resid 1851 and name H )) 3.400 1.500 1.500 peak 3592 spectrum 1 weight 0.10000E+01 volume 0.42757E-02 ppm1 0.905 ppm2 8.214 CV 1 ASSI { 3596} (( segid " " and resid 1850 and name HA )) (( segid " " and resid 1854 and name H )) 3.900 1.900 1.900 peak 3596 spectrum 1 weight 0.10000E+01 volume 0.38679E-03 ppm1 4.172 ppm2 8.838 CV 1 ASSI { 3600} (( segid " " and resid 1850 and name HA )) ( segid " " and resid 1850 and name HD% ) 2.800 1.000 1.000 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.29294E-02 ppm1 4.166 ppm2 7.237 CV 1 ASSI { 3601} (( segid " " and resid 1850 and name HB3 )) (( segid " " and resid 1907 and name H )) 5.100 3.200 0.900 peak 3601 spectrum 1 weight 0.10000E+01 volume 0.46775E-03 ppm1 3.009 ppm2 7.310 CV 1 ASSI { 3602} (( segid " " and resid 1850 and name HB3 )) ( segid " " and resid 1850 and name HD% ) 2.700 0.900 0.900 peak 3602 spectrum 1 weight 0.10000E+01 volume 0.29324E-02 ppm1 2.999 ppm2 7.238 CV 1 ASSI { 3603} (( segid " " and resid 1850 and name HB2 )) ( segid " " and resid 1850 and name HD% ) 2.800 1.000 1.000 peak 3603 spectrum 1 weight 0.10000E+01 volume 0.30224E-02 ppm1 3.262 ppm2 7.238 CV 1 ASSI { 3604} (( segid " " and resid 1850 and name HB2 )) ( segid " " and resid 1853 and name HD% ) 4.800 2.900 1.200 peak 3604 spectrum 1 weight 0.10000E+01 volume 0.29984E-03 ppm1 3.265 ppm2 6.958 CV 1 ASSI { 3605} (( segid " " and resid 1850 and name HA )) ( segid " " and resid 1853 and name HD% ) 2.900 1.000 1.000 peak 3605 spectrum 1 weight 0.10000E+01 volume 0.23657E-02 ppm1 4.166 ppm2 6.957 CV 1 ASSI { 3606} (( segid " " and resid 1850 and name HA )) ( segid " " and resid 1853 and name HE% ) 4.600 2.600 1.400 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.42877E-03 ppm1 4.164 ppm2 6.664 CV 1 ASSI { 3607} (( segid " " and resid 1850 and name HB2 )) (( segid " " and resid 1850 and name HA )) 2.800 1.000 1.000 peak 3607 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 3.260 ppm2 4.164 CV 1 ASSI { 3612} (( segid " " and resid 1850 and name HB3 )) (( segid " " and resid 1850 and name HB2 )) 2.200 0.600 0.600 peak 3612 spectrum 1 weight 0.10000E+01 volume 0.46685E-02 ppm1 2.999 ppm2 3.255 CV 1 ASSI { 3614} (( segid " " and resid 1850 and name HA )) (( segid " " and resid 1850 and name HB3 )) 3.400 1.400 1.400 peak 3614 spectrum 1 weight 0.10000E+01 volume 0.15771E-02 ppm1 4.168 ppm2 2.995 CV 1 ASSI { 3615} (( segid " " and resid 1850 and name HA )) (( segid " " and resid 1853 and name HB2 )) 3.400 3.400 2.600 peak 3615 spectrum 1 weight 0.10000E+01 volume 0.57269E-03 ppm1 4.168 ppm2 2.818 CV 1 ASSI { 3619} (( segid " " and resid 1850 and name HA )) ( segid " " and resid 1906 and name HB% ) 2.800 1.000 1.000 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.25247E-02 ppm1 4.166 ppm2 1.570 CV 1 ASSI { 3620} (( segid " " and resid 1850 and name HA )) ( segid " " and resid 1903 and name HB% ) 4.000 2.000 2.000 peak 3620 spectrum 1 weight 0.10000E+01 volume 0.56969E-03 ppm1 4.167 ppm2 1.262 CV 1 ASSI { 3622} (( segid " " and resid 1850 and name HB3 )) ( segid " " and resid 1851 and name HG1%) 5.200 3.400 0.800 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.25786E-03 ppm1 3.003 ppm2 1.031 CV 1 ASSI { 3624} (( segid " " and resid 1850 and name HB2 )) ( segid " " and resid 1851 and name HG1%) 6.000 4.700 0.000 peak 3624 spectrum 1 weight 0.10000E+01 volume 0.21888E-03 ppm1 3.258 ppm2 1.028 CV 1 ASSI { 3625} (( segid " " and resid 1850 and name HA )) ( segid " " and resid 1907 and name HB% ) 5.900 4.400 0.100 peak 3625 spectrum 1 weight 0.10000E+01 volume 0.10195E-03 ppm1 4.165 ppm2 1.135 CV 1 ASSI { 3626} (( segid " " and resid 1850 and name HA )) ( segid " " and resid 1851 and name HG1%) 5.600 3.900 0.400 peak 3626 spectrum 1 weight 0.10000E+01 volume 0.19190E-03 ppm1 4.166 ppm2 1.032 CV 1 ASSI { 3627} (( segid " " and resid 1850 and name HB3 )) ( segid " " and resid 1851 and name HG2%) 5.500 3.800 0.500 peak 3627 spectrum 1 weight 0.10000E+01 volume 0.18290E-03 ppm1 2.999 ppm2 0.909 CV 1 ASSI { 3628} (( segid " " and resid 1849 and name HB2 )) ( segid " " and resid 1851 and name HG1%) 3.600 1.700 1.700 peak 3628 spectrum 1 weight 0.10000E+01 volume 0.61767E-03 ppm1 4.079 ppm2 1.032 CV 1 ASSI { 3629} (( segid " " and resid 1849 and name HB2 )) ( segid " " and resid 1851 and name HG2%) 4.300 2.300 1.700 peak 3629 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 4.079 ppm2 0.907 CV 1 ASSI { 3630} (( segid " " and resid 1849 and name HB2 )) ( segid " " and resid 1906 and name HB% ) 4.700 2.700 1.300 peak 3630 spectrum 1 weight 0.10000E+01 volume 0.35081E-03 ppm1 4.075 ppm2 1.566 CV 1 ASSI { 3631} (( segid " " and resid 1849 and name HA )) ( segid " " and resid 1906 and name HB% ) 3.200 1.300 1.300 peak 3631 spectrum 1 weight 0.10000E+01 volume 0.14182E-02 ppm1 4.728 ppm2 1.571 CV 1 ASSI { 3632} (( segid " " and resid 1849 and name HB2 )) (( segid " " and resid 1852 and name HB3 )) 4.500 2.500 1.500 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.39879E-03 ppm1 4.076 ppm2 2.541 CV 1 ASSI { 3633} (( segid " " and resid 1849 and name HB3 )) (( segid " " and resid 1852 and name HB3 )) 4.700 2.800 1.300 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.38679E-03 ppm1 3.930 ppm2 2.541 CV 1 ASSI { 3634} (( segid " " and resid 1849 and name HB2 )) (( segid " " and resid 1850 and name HB3 )) 4.600 2.700 1.400 peak 3634 spectrum 1 weight 0.10000E+01 volume 0.30883E-03 ppm1 4.078 ppm2 2.991 CV 1 ASSI { 3635} (( segid " " and resid 1849 and name HB2 )) (( segid " " and resid 1850 and name HB2 )) 5.100 3.200 0.900 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.27885E-03 ppm1 4.078 ppm2 3.266 CV 1 ASSI { 3636} (( segid " " and resid 1849 and name HB3 )) (( segid " " and resid 1850 and name HB3 )) 4.300 2.300 1.700 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.30584E-03 ppm1 3.926 ppm2 2.997 CV 1 ASSI { 3637} (( segid " " and resid 1849 and name HA )) (( segid " " and resid 1850 and name HB2 )) 4.200 2.200 1.800 peak 3637 spectrum 1 weight 0.10000E+01 volume 0.50373E-03 ppm1 4.730 ppm2 3.260 CV 1 ASSI { 3639} (( segid " " and resid 1849 and name HA )) (( segid " " and resid 1849 and name HB3 )) 2.600 0.800 0.800 peak 3639 spectrum 1 weight 0.10000E+01 volume 0.45875E-02 ppm1 4.732 ppm2 3.921 CV 1 ASSI { 3641} (( segid " " and resid 1849 and name HA )) (( segid " " and resid 1852 and name H )) 4.100 2.200 1.900 peak 3641 spectrum 1 weight 0.10000E+01 volume 0.54871E-03 ppm1 4.722 ppm2 7.316 CV 1 ASSI { 3642} (( segid " " and resid 1849 and name HA )) (( segid " " and resid 1851 and name H )) 4.100 2.100 1.900 peak 3642 spectrum 1 weight 0.10000E+01 volume 0.63266E-03 ppm1 4.733 ppm2 8.217 CV 1 ASSI { 3643} (( segid " " and resid 1849 and name HA )) (( segid " " and resid 1849 and name H )) 2.900 1.100 1.100 peak 3643 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 4.732 ppm2 8.620 CV 1 ASSI { 3644} (( segid " " and resid 1849 and name HB3 )) (( segid " " and resid 1849 and name H )) 3.000 1.100 1.100 peak 3644 spectrum 1 weight 0.10000E+01 volume 0.29864E-02 ppm1 3.923 ppm2 8.617 CV 1 ASSI { 3645} (( segid " " and resid 1849 and name HA )) (( segid " " and resid 1850 and name H )) 2.700 0.900 0.900 peak 3645 spectrum 1 weight 0.10000E+01 volume 0.36100E-02 ppm1 4.733 ppm2 9.303 CV 1 ASSI { 3651} (( segid " " and resid 1844 and name HA2 )) (( segid " " and resid 1844 and name H )) 3.100 1.200 1.200 peak 3651 spectrum 1 weight 0.10000E+01 volume 0.16521E-02 ppm1 3.925 ppm2 8.054 CV 1 ASSI { 3652} (( segid " " and resid 1844 and name HA3 )) (( segid " " and resid 1844 and name H )) 3.200 1.300 1.300 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.13943E-02 ppm1 3.863 ppm2 8.054 CV 1 ASSI { 3653} (( segid " " and resid 1844 and name HA3 )) (( segid " " and resid 1845 and name H )) 2.700 0.900 0.900 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.38169E-02 ppm1 3.865 ppm2 8.267 CV 1 ASSI { 3654} (( segid " " and resid 1844 and name HA2 )) (( segid " " and resid 1845 and name H )) 2.500 0.800 0.800 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.56370E-02 ppm1 3.925 ppm2 8.258 CV 1 ASSI { 3657} (( segid " " and resid 1848 and name HA3 )) ( segid " " and resid 1853 and name HE% ) 3.500 1.600 1.600 peak 3657 spectrum 1 weight 0.10000E+01 volume 0.59968E-03 ppm1 3.819 ppm2 6.665 CV 1 ASSI { 3658} (( segid " " and resid 1848 and name HA2 )) ( segid " " and resid 1853 and name HE% ) 4.900 3.000 1.100 peak 3658 spectrum 1 weight 0.10000E+01 volume 0.43777E-03 ppm1 4.069 ppm2 6.663 CV 1 ASSI { 3659} (( segid " " and resid 1848 and name HA3 )) (( segid " " and resid 1848 and name HA2 )) 1.900 0.500 0.500 peak 3659 spectrum 1 weight 0.10000E+01 volume 0.10809E-01 ppm1 3.817 ppm2 4.062 CV 1 ASSI { 3662} (( segid " " and resid 1848 and name HA3 )) (( segid " " and resid 1852 and name HB3 )) 3.500 1.500 1.500 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.53971E-03 ppm1 3.817 ppm2 2.538 CV 1 ASSI { 3663} (( segid " " and resid 1848 and name HA2 )) (( segid " " and resid 1852 and name HB3 )) 4.700 2.800 1.300 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.39579E-03 ppm1 4.070 ppm2 2.537 CV 1 ASSI { 3665} (( segid " " and resid 1847 and name HA )) (( segid " " and resid 1847 and name HG3 )) 2.900 1.000 1.000 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.37360E-02 ppm1 4.366 ppm2 2.188 CV 1 ASSI { 3666} (( segid " " and resid 1847 and name HA )) (( segid " " and resid 1847 and name HB2 )) 2.600 0.900 0.900 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.61497E-02 ppm1 4.366 ppm2 2.077 CV 1 ASSI { 3668} (( segid " " and resid 1847 and name HB3 )) (( segid " " and resid 1847 and name HG2 )) 2.500 0.800 0.800 peak 3668 spectrum 1 weight 0.10000E+01 volume 0.57389E-02 ppm1 1.895 ppm2 2.254 CV 1 ASSI { 3669} (( segid " " and resid 1847 and name HB3 )) (( segid " " and resid 1847 and name HB2 )) 1.800 0.400 0.400 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.18344E-01 ppm1 1.895 ppm2 2.079 CV 1 ASSI { 3670} (( segid " " and resid 1847 and name HB2 )) (( segid " " and resid 1847 and name HG2 )) 2.400 0.700 0.700 peak 3670 spectrum 1 weight 0.10000E+01 volume 0.97268E-02 ppm1 2.082 ppm2 2.255 CV 1 ASSI { 3673} (( segid " " and resid 1847 and name HB3 )) (( segid " " and resid 1847 and name HA )) 2.700 0.900 0.900 peak 3673 spectrum 1 weight 0.10000E+01 volume 0.32802E-02 ppm1 1.895 ppm2 4.367 CV 1 ASSI { 3676} (( segid " " and resid 1847 and name HA )) (( segid " " and resid 1847 and name H )) 2.800 1.000 1.000 peak 3676 spectrum 1 weight 0.10000E+01 volume 0.25156E-02 ppm1 4.367 ppm2 8.564 CV 1 ASSI { 3679} (( segid " " and resid 1922 and name HG3 )) (( segid " " and resid 1922 and name H )) 3.600 1.600 1.600 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 2.227 ppm2 8.448 CV 1 ASSI { 3680} (( segid " " and resid 1910 and name HG3 )) (( segid " " and resid 1911 and name H )) 3.900 1.900 1.900 peak 3680 spectrum 1 weight 0.10000E+01 volume 0.80353E-03 ppm1 2.266 ppm2 8.246 CV 1 ASSI { 3681} (( segid " " and resid 1959 and name HG2 )) (( segid " " and resid 1959 and name H )) 3.400 1.500 1.500 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.34571E-02 ppm1 2.281 ppm2 7.865 CV 1 ASSI { 3682} (( segid " " and resid 1847 and name HB2 )) (( segid " " and resid 1848 and name H )) 3.700 1.700 1.700 peak 3682 spectrum 1 weight 0.10000E+01 volume 0.63266E-03 ppm1 2.076 ppm2 7.903 CV 1 ASSI { 3683} (( segid " " and resid 1840 and name HG2 )) (( segid " " and resid 1840 and name H )) 3.400 1.500 1.500 peak 3683 spectrum 1 weight 0.10000E+01 volume 0.17211E-02 ppm1 2.277 ppm2 7.342 CV 1 ASSI { 3684} (( segid " " and resid 1840 and name HG3 )) (( segid " " and resid 1840 and name H )) 3.400 1.400 1.400 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.16611E-02 ppm1 2.227 ppm2 7.344 CV 1 ASSI { 3685} (( segid " " and resid 1922 and name HG3 )) (( segid " " and resid 1919 and name HA )) 2.300 0.600 0.600 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.28095E-02 ppm1 2.227 ppm2 4.131 CV 1 ASSI { 3687} (( segid " " and resid 1959 and name HG2 )) (( segid " " and resid 1959 and name HA )) 2.600 0.800 0.800 peak 3687 spectrum 1 weight 0.10000E+01 volume 0.40298E-02 ppm1 2.281 ppm2 3.964 CV 1 ASSI { 3690} (( segid " " and resid 1846 and name HD3 )) ( segid " " and resid 1905 and name HG1%) 3.700 1.700 1.700 peak 3690 spectrum 1 weight 0.10000E+01 volume 0.48574E-03 ppm1 3.744 ppm2 1.023 CV 1 ASSI { 3691} (( segid " " and resid 1846 and name HD3 )) ( segid " " and resid 1905 and name HG2%) 3.100 1.200 1.200 peak 3691 spectrum 1 weight 0.10000E+01 volume 0.17630E-02 ppm1 3.743 ppm2 0.935 CV 1 ASSI { 3692} (( segid " " and resid 1846 and name HG3 )) ( segid " " and resid 1905 and name HG2%) 3.100 1.200 1.200 peak 3692 spectrum 1 weight 0.10000E+01 volume 0.26476E-02 ppm1 1.948 ppm2 0.937 CV 1 ASSI { 3693} (( segid " " and resid 1879 and name HG3 )) ( segid " " and resid 1937 and name HD1%) 3.400 1.500 1.500 peak 3693 spectrum 1 weight 0.10000E+01 volume 0.24077E-02 ppm1 2.065 ppm2 0.947 CV 1 ASSI { 3694} (( segid " " and resid 1846 and name HG2 )) ( segid " " and resid 1905 and name HG2%) 4.100 2.100 1.900 peak 3694 spectrum 1 weight 0.10000E+01 volume 0.14212E-02 ppm1 2.128 ppm2 0.934 CV 1 ASSI { 3695} (( segid " " and resid 1823 and name HB )) ( segid " " and resid 1821 and name HB% ) 3.700 1.800 1.800 peak 3695 spectrum 1 weight 0.10000E+01 volume 0.86655E-03 ppm1 2.135 ppm2 1.344 CV 1 ASSI { 3696} (( segid " " and resid 1846 and name HB2 )) (( segid " " and resid 1902 and name HB3 )) 4.000 2.000 2.000 peak 3696 spectrum 1 weight 0.10000E+01 volume 0.74959E-03 ppm1 2.257 ppm2 1.326 CV 1 ASSI { 3698} (( segid " " and resid 1846 and name HD2 )) (( segid " " and resid 1846 and name HG3 )) 2.800 1.000 1.000 peak 3698 spectrum 1 weight 0.10000E+01 volume 0.37840E-02 ppm1 3.806 ppm2 1.951 CV 1 ASSI { 3699} (( segid " " and resid 1846 and name HD3 )) (( segid " " and resid 1846 and name HG3 )) 2.400 0.700 0.700 peak 3699 spectrum 1 weight 0.10000E+01 volume 0.34301E-02 ppm1 3.741 ppm2 1.949 CV 1 ASSI { 3700} (( segid " " and resid 1960 and name HD3 )) (( segid " " and resid 1960 and name HD2 )) 1.900 0.500 0.500 peak 3700 spectrum 1 weight 0.10000E+01 volume 0.51332E-02 ppm1 1.906 ppm2 1.725 CV 1 ASSI { 3701} (( segid " " and resid 1846 and name HG2 )) ( segid " " and resid 1906 and name HB% ) 3.800 1.800 1.800 peak 3701 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 2.132 ppm2 1.568 CV 1 ASSI { 3703} (( segid " " and resid 1846 and name HB2 )) (( segid " " and resid 1846 and name HG3 )) 2.600 0.900 0.900 peak 3703 spectrum 1 weight 0.10000E+01 volume 0.46265E-02 ppm1 2.253 ppm2 1.951 CV 1 ASSI { 3704} (( segid " " and resid 1879 and name HG3 )) (( segid " " and resid 1879 and name HB3 )) 2.200 0.600 0.600 peak 3704 spectrum 1 weight 0.10000E+01 volume 0.83803E-02 ppm1 2.064 ppm2 1.897 CV 1 OR { 3704} (( segid " " and resid 1879 and name HG2 )) (( segid " " and resid 1879 and name HB3 )) ASSI { 3705} (( segid " " and resid 1846 and name HD2 )) (( segid " " and resid 1846 and name HB2 )) 4.100 2.100 1.900 peak 3705 spectrum 1 weight 0.10000E+01 volume 0.98047E-03 ppm1 3.814 ppm2 2.252 CV 1 ASSI { 3706} (( segid " " and resid 1846 and name HD3 )) (( segid " " and resid 1846 and name HB2 )) 4.200 2.200 1.800 peak 3706 spectrum 1 weight 0.10000E+01 volume 0.92351E-03 ppm1 3.740 ppm2 2.251 CV 1 ASSI { 3707} (( segid " " and resid 1846 and name HD2 )) (( segid " " and resid 1846 and name HG2 )) 2.300 0.700 0.700 peak 3707 spectrum 1 weight 0.10000E+01 volume 0.44945E-02 ppm1 3.806 ppm2 2.130 CV 1 ASSI { 3708} (( segid " " and resid 1846 and name HD3 )) (( segid " " and resid 1846 and name HG2 )) 2.800 0.900 0.900 peak 3708 spectrum 1 weight 0.10000E+01 volume 0.50403E-02 ppm1 3.740 ppm2 2.129 CV 1 OR { 3708} (( segid " " and resid 1846 and name HD3 )) (( segid " " and resid 1846 and name HB3 )) ASSI { 3709} (( segid " " and resid 1846 and name HD2 )) (( segid " " and resid 1845 and name HB3 )) 4.300 2.300 1.700 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.82754E-03 ppm1 3.811 ppm2 2.396 CV 1 ASSI { 3713} (( segid " " and resid 1846 and name HD3 )) (( segid " " and resid 1845 and name HB2 )) 3.600 1.600 1.600 peak 3713 spectrum 1 weight 0.10000E+01 volume 0.21678E-02 ppm1 3.741 ppm2 2.649 CV 1 ASSI { 3715} (( segid " " and resid 1846 and name HG3 )) (( segid " " and resid 1846 and name HG2 )) 1.700 0.400 0.500 peak 3715 spectrum 1 weight 0.10000E+01 volume 0.20662E-01 ppm1 1.953 ppm2 2.131 CV 1 OR { 3715} (( segid " " and resid 1846 and name HG3 )) (( segid " " and resid 1846 and name HB3 )) ASSI { 3716} (( segid " " and resid 1846 and name HG2 )) (( segid " " and resid 1846 and name HB2 )) 2.300 0.600 0.600 peak 3716 spectrum 1 weight 0.10000E+01 volume 0.52681E-02 ppm1 2.130 ppm2 2.249 CV 1 ASSI { 3717} (( segid " " and resid 1846 and name HB3 )) (( segid " " and resid 1846 and name HB2 )) 1.800 0.400 0.400 peak 3717 spectrum 1 weight 0.10000E+01 volume 0.12773E-01 ppm1 2.128 ppm2 2.250 CV 1 ASSI { 3718} (( segid " " and resid 1846 and name HB2 )) (( segid " " and resid 1846 and name HB3 )) 1.700 0.400 0.500 peak 3718 spectrum 1 weight 0.10000E+01 volume 0.16248E-01 ppm1 2.254 ppm2 2.128 CV 1 OR { 3718} (( segid " " and resid 1846 and name HB2 )) (( segid " " and resid 1846 and name HG2 )) ASSI { 3726} (( segid " " and resid 1846 and name HG2 )) (( segid " " and resid 1846 and name HD3 )) 3.100 1.200 1.200 peak 3726 spectrum 1 weight 0.10000E+01 volume 0.35441E-02 ppm1 2.130 ppm2 3.741 CV 1 ASSI { 3727} (( segid " " and resid 1846 and name HA )) (( segid " " and resid 1846 and name HD2 )) 3.700 1.700 1.700 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.97449E-03 ppm1 4.426 ppm2 3.799 CV 1 ASSI { 3728} (( segid " " and resid 1846 and name HB3 )) (( segid " " and resid 1846 and name HD2 )) 3.600 1.600 1.600 peak 3728 spectrum 1 weight 0.10000E+01 volume 0.19160E-02 ppm1 2.125 ppm2 3.798 CV 1 ASSI { 3730} (( segid " " and resid 1846 and name HB3 )) (( segid " " and resid 1902 and name HA )) 3.200 1.300 1.300 peak 3730 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 2.115 ppm2 4.179 CV 1 ASSI { 3732} (( segid " " and resid 1879 and name HG2 )) (( segid " " and resid 1879 and name HA )) 3.200 1.300 1.300 peak 3732 spectrum 1 weight 0.10000E+01 volume 0.26356E-02 ppm1 2.063 ppm2 3.920 CV 1 ASSI { 3739} (( segid " " and resid 1846 and name HG2 )) (( segid " " and resid 1846 and name HA )) 4.000 2.000 2.000 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.82754E-03 ppm1 2.126 ppm2 4.424 CV 1 ASSI { 3740} (( segid " " and resid 1846 and name HD2 )) (( segid " " and resid 1845 and name HA )) 2.200 0.600 0.600 peak 3740 spectrum 1 weight 0.10000E+01 volume 0.68362E-02 ppm1 3.810 ppm2 4.886 CV 1 ASSI { 3741} (( segid " " and resid 1846 and name HD3 )) (( segid " " and resid 1845 and name HA )) 2.700 0.900 0.900 peak 3741 spectrum 1 weight 0.10000E+01 volume 0.71992E-02 ppm1 3.738 ppm2 4.886 CV 1 ASSI { 3744} (( segid " " and resid 1846 and name HB3 )) ( segid " " and resid 1853 and name HE% ) 3.800 1.800 1.800 peak 3744 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 2.128 ppm2 6.666 CV 1 ASSI { 3745} (( segid " " and resid 1846 and name HB2 )) ( segid " " and resid 1853 and name HE% ) 3.100 1.200 1.200 peak 3745 spectrum 1 weight 0.10000E+01 volume 0.96245E-03 ppm1 2.255 ppm2 6.666 CV 1 ASSI { 3747} (( segid " " and resid 1846 and name HB2 )) (( segid " " and resid 1847 and name H )) 3.500 1.500 1.500 peak 3747 spectrum 1 weight 0.10000E+01 volume 0.83958E-03 ppm1 2.255 ppm2 8.562 CV 1 ASSI { 3748} (( segid " " and resid 1846 and name HB3 )) (( segid " " and resid 1847 and name H )) 4.000 2.000 2.000 peak 3748 spectrum 1 weight 0.10000E+01 volume 0.10165E-02 ppm1 2.126 ppm2 8.557 CV 1 ASSI { 3750} (( segid " " and resid 1845 and name HA )) (( segid " " and resid 1846 and name HG2 )) 4.300 2.300 1.700 peak 3750 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 4.888 ppm2 2.125 CV 1 ASSI { 3751} (( segid " " and resid 1845 and name HA )) (( segid " " and resid 1846 and name HG3 )) 4.700 2.800 1.300 peak 3751 spectrum 1 weight 0.10000E+01 volume 0.94449E-03 ppm1 4.890 ppm2 1.952 CV 1 ASSI { 3752} (( segid " " and resid 1845 and name HA )) (( segid " " and resid 1845 and name HB2 )) 2.600 0.900 0.900 peak 3752 spectrum 1 weight 0.10000E+01 volume 0.45515E-02 ppm1 4.889 ppm2 2.649 CV 1 ASSI { 3753} (( segid " " and resid 1845 and name HA )) (( segid " " and resid 1845 and name HB3 )) 2.800 1.000 1.000 peak 3753 spectrum 1 weight 0.10000E+01 volume 0.27735E-02 ppm1 4.889 ppm2 2.399 CV 1 ASSI { 3754} (( segid " " and resid 1845 and name HB3 )) (( segid " " and resid 1845 and name HB2 )) 1.800 0.400 0.400 peak 3754 spectrum 1 weight 0.10000E+01 volume 0.24239E-01 ppm1 2.398 ppm2 2.649 CV 1 ASSI { 3756} (( segid " " and resid 1845 and name HB2 )) (( segid " " and resid 1846 and name HD2 )) 3.700 1.700 1.700 peak 3756 spectrum 1 weight 0.10000E+01 volume 0.23987E-02 ppm1 2.653 ppm2 3.793 CV 1 ASSI { 3759} (( segid " " and resid 1845 and name HB3 )) (( segid " " and resid 1846 and name HD3 )) 3.900 1.900 1.900 peak 3759 spectrum 1 weight 0.10000E+01 volume 0.13073E-02 ppm1 2.394 ppm2 3.743 CV 1 ASSI { 3767} (( segid " " and resid 1841 and name HA3 )) (( segid " " and resid 1842 and name HG3 )) 4.500 2.500 1.500 peak 3767 spectrum 1 weight 0.10000E+01 volume 0.58768E-03 ppm1 3.943 ppm2 1.932 CV 1 ASSI { 3768} (( segid " " and resid 1844 and name HA2 )) (( segid " " and resid 1845 and name HB3 )) 4.400 2.500 1.600 peak 3768 spectrum 1 weight 0.10000E+01 volume 0.53371E-03 ppm1 3.929 ppm2 2.400 CV 1 ASSI { 3769} (( segid " " and resid 1844 and name HA3 )) (( segid " " and resid 1845 and name HB3 )) 4.500 2.600 1.500 peak 3769 spectrum 1 weight 0.10000E+01 volume 0.40178E-03 ppm1 3.863 ppm2 2.394 CV 1 ASSI { 3770} (( segid " " and resid 1841 and name HA3 )) (( segid " " and resid 1842 and name HD3 )) 2.800 0.900 0.900 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.54721E-02 ppm1 3.951 ppm2 3.580 CV 1 OR { 3770} (( segid " " and resid 1841 and name HA3 )) (( segid " " and resid 1842 and name HD2 )) ASSI { 3771} (( segid " " and resid 1841 and name HA3 )) (( segid " " and resid 1841 and name HA2 )) 1.900 0.400 0.400 peak 3771 spectrum 1 weight 0.10000E+01 volume 0.13520E-01 ppm1 3.952 ppm2 4.094 CV 1 ASSI { 3772} (( segid " " and resid 1844 and name HA2 )) (( segid " " and resid 1845 and name HA )) 5.300 3.500 0.700 peak 3772 spectrum 1 weight 0.10000E+01 volume 0.20089E-03 ppm1 3.924 ppm2 4.878 CV 1 ASSI { 3773} (( segid " " and resid 1844 and name HA3 )) (( segid " " and resid 1845 and name HA )) 4.700 2.800 1.300 peak 3773 spectrum 1 weight 0.10000E+01 volume 0.36281E-03 ppm1 3.866 ppm2 4.882 CV 1 ASSI { 3774} (( segid " " and resid 1841 and name HA3 )) (( segid " " and resid 1840 and name HA )) 4.200 2.200 1.800 peak 3774 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 3.954 ppm2 4.337 CV 1 ASSI { 3776} (( segid " " and resid 1843 and name HA )) (( segid " " and resid 1844 and name H )) 2.700 0.900 0.900 peak 3776 spectrum 1 weight 0.10000E+01 volume 0.36370E-02 ppm1 4.467 ppm2 8.055 CV 1 ASSI { 3777} (( segid " " and resid 1843 and name HB2 )) (( segid " " and resid 1844 and name H )) 4.100 4.100 1.900 peak 3777 spectrum 1 weight 0.10000E+01 volume 0.40478E-03 ppm1 2.030 ppm2 8.054 CV 1 ASSI { 3779} (( segid " " and resid 1843 and name HG2 )) (( segid " " and resid 1844 and name H )) 5.300 3.500 0.700 peak 3779 spectrum 1 weight 0.10000E+01 volume 0.12893E-03 ppm1 2.558 ppm2 8.046 CV 1 ASSI { 3781} (( segid " " and resid 1843 and name HA )) (( segid " " and resid 1843 and name HB2 )) 2.700 0.900 0.900 peak 3781 spectrum 1 weight 0.10000E+01 volume 0.42487E-02 ppm1 4.467 ppm2 2.025 CV 1 ASSI { 3782} (( segid " " and resid 1843 and name HA )) (( segid " " and resid 1843 and name HB3 )) 2.800 1.000 1.000 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.32862E-02 ppm1 4.468 ppm2 1.935 CV 1 ASSI { 3783} (( segid " " and resid 1843 and name HB3 )) (( segid " " and resid 1843 and name HB2 )) 1.600 0.300 0.600 peak 3783 spectrum 1 weight 0.10000E+01 volume 0.34466E-01 ppm1 1.936 ppm2 2.027 CV 1 ASSI { 3785} (( segid " " and resid 1843 and name HG3 )) (( segid " " and resid 1843 and name HG2 )) 1.500 0.300 0.700 peak 3785 spectrum 1 weight 0.10000E+01 volume 0.46934E-01 ppm1 2.501 ppm2 2.556 CV 1 ASSI { 3786} (( segid " " and resid 1843 and name HA )) (( segid " " and resid 1843 and name HG2 )) 3.600 1.600 1.600 peak 3786 spectrum 1 weight 0.10000E+01 volume 0.94449E-03 ppm1 4.466 ppm2 2.559 CV 1 ASSI { 3787} (( segid " " and resid 1843 and name HA )) (( segid " " and resid 1843 and name HG3 )) 3.300 1.400 1.400 peak 3787 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 4.469 ppm2 2.499 CV 1 ASSI { 3792} (( segid " " and resid 1842 and name HB3 )) ( segid " " and resid 1905 and name HG1%) 4.300 2.300 1.700 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.44676E-03 ppm1 1.937 ppm2 1.024 CV 1 ASSI { 3793} (( segid " " and resid 1842 and name HB3 )) ( segid " " and resid 1905 and name HG2%) 4.300 2.300 1.700 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.37480E-03 ppm1 1.929 ppm2 0.934 CV 1 ASSI { 3794} (( segid " " and resid 1842 and name HA )) ( segid " " and resid 1905 and name HG1%) 4.300 2.400 1.700 peak 3794 spectrum 1 weight 0.10000E+01 volume 0.46175E-03 ppm1 4.366 ppm2 1.028 CV 1 ASSI { 3795} (( segid " " and resid 1842 and name HA )) (( segid " " and resid 1842 and name HB2 )) 2.700 0.900 0.900 peak 3795 spectrum 1 weight 0.10000E+01 volume 0.54450E-02 ppm1 4.367 ppm2 2.152 CV 1 ASSI { 3796} (( segid " " and resid 1842 and name HA )) (( segid " " and resid 1842 and name HB3 )) 2.400 0.700 0.700 peak 3796 spectrum 1 weight 0.10000E+01 volume 0.48903E-02 ppm1 4.367 ppm2 1.933 CV 1 ASSI { 3797} (( segid " " and resid 1842 and name HA )) (( segid " " and resid 1842 and name HD2 )) 3.500 1.500 1.500 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 4.367 ppm2 3.580 CV 1 OR { 3797} (( segid " " and resid 1842 and name HA )) (( segid " " and resid 1842 and name HD3 )) ASSI { 3798} (( segid " " and resid 1842 and name HB3 )) (( segid " " and resid 1842 and name HD3 )) 3.000 1.200 1.200 peak 3798 spectrum 1 weight 0.10000E+01 volume 0.33402E-02 ppm1 1.935 ppm2 3.584 CV 1 ASSI { 3800} (( segid " " and resid 1941 and name HG3 )) (( segid " " and resid 1942 and name H )) 4.400 2.400 1.600 peak 3800 spectrum 1 weight 0.10000E+01 volume 0.74058E-03 ppm1 1.993 ppm2 8.128 CV 1 ASSI { 3801} (( segid " " and resid 1941 and name HG2 )) (( segid " " and resid 1942 and name H )) 3.400 1.500 1.500 peak 3801 spectrum 1 weight 0.10000E+01 volume 0.66264E-03 ppm1 1.937 ppm2 8.124 CV 1 ASSI { 3802} (( segid " " and resid 1842 and name HA )) (( segid " " and resid 1843 and name H )) 2.800 1.000 1.000 peak 3802 spectrum 1 weight 0.10000E+01 volume 0.27795E-02 ppm1 4.367 ppm2 8.496 CV 1 ASSI { 3803} (( segid " " and resid 1841 and name HA2 )) (( segid " " and resid 1842 and name HG2 )) 5.000 3.100 1.000 peak 3803 spectrum 1 weight 0.10000E+01 volume 0.57569E-03 ppm1 4.101 ppm2 1.997 CV 1 ASSI { 3804} (( segid " " and resid 1841 and name HA2 )) (( segid " " and resid 1842 and name HG3 )) 4.400 2.500 1.600 peak 3804 spectrum 1 weight 0.10000E+01 volume 0.73762E-03 ppm1 4.101 ppm2 1.924 CV 1 OR { 3804} (( segid " " and resid 1841 and name HA2 )) (( segid " " and resid 1842 and name HB3 )) ASSI { 3807} (( segid " " and resid 1841 and name HA2 )) (( segid " " and resid 1840 and name HA )) 3.900 1.900 1.900 peak 3807 spectrum 1 weight 0.10000E+01 volume 0.66566E-03 ppm1 4.100 ppm2 4.350 CV 1 ASSI { 3808} (( segid " " and resid 1840 and name HA )) (( segid " " and resid 1840 and name HB2 )) 2.700 0.900 0.900 peak 3808 spectrum 1 weight 0.10000E+01 volume 0.43956E-02 ppm1 4.346 ppm2 2.042 CV 1 ASSI { 3809} (( segid " " and resid 1879 and name HB3 )) (( segid " " and resid 1879 and name HB2 )) 1.800 0.400 0.400 peak 3809 spectrum 1 weight 0.10000E+01 volume 0.12014E-01 ppm1 1.898 ppm2 2.171 CV 1 ASSI { 3811} (( segid " " and resid 1840 and name HB3 )) (( segid " " and resid 1837 and name HA )) 3.600 1.600 1.600 peak 3811 spectrum 1 weight 0.10000E+01 volume 0.95949E-03 ppm1 1.907 ppm2 4.120 CV 1 ASSI { 3815} (( segid " " and resid 1840 and name HB3 )) (( segid " " and resid 1840 and name HA )) 3.000 1.100 1.100 peak 3815 spectrum 1 weight 0.10000E+01 volume 0.22698E-02 ppm1 1.903 ppm2 4.347 CV 1 ASSI { 3816} (( segid " " and resid 1840 and name HA )) (( segid " " and resid 1840 and name H )) 2.800 1.000 1.000 peak 3816 spectrum 1 weight 0.10000E+01 volume 0.31033E-02 ppm1 4.345 ppm2 7.342 CV 1 ASSI { 3818} (( segid " " and resid 1840 and name HA )) (( segid " " and resid 1841 and name H )) 2.800 0.900 0.900 peak 3818 spectrum 1 weight 0.10000E+01 volume 0.44856E-02 ppm1 4.347 ppm2 8.360 CV 1 ASSI { 3819} (( segid " " and resid 1839 and name HB2 )) (( segid " " and resid 1839 and name H )) 2.900 1.000 1.000 peak 3819 spectrum 1 weight 0.10000E+01 volume 0.21289E-02 ppm1 2.817 ppm2 7.513 CV 1 ASSI { 3820} (( segid " " and resid 1839 and name HB2 )) (( segid " " and resid 1840 and name H )) 4.000 2.000 2.000 peak 3820 spectrum 1 weight 0.10000E+01 volume 0.80656E-03 ppm1 2.821 ppm2 7.343 CV 1 ASSI { 3822} (( segid " " and resid 1839 and name HB3 )) (( segid " " and resid 1840 and name H )) 3.300 1.300 1.300 peak 3822 spectrum 1 weight 0.10000E+01 volume 0.10195E-02 ppm1 2.632 ppm2 7.339 CV 1 ASSI { 3823} (( segid " " and resid 1839 and name HA )) (( segid " " and resid 1839 and name H )) 2.800 1.000 1.000 peak 3823 spectrum 1 weight 0.10000E+01 volume 0.28904E-02 ppm1 4.731 ppm2 7.514 CV 1 ASSI { 3824} (( segid " " and resid 1839 and name HA )) (( segid " " and resid 1840 and name H )) 3.100 1.200 1.200 peak 3824 spectrum 1 weight 0.10000E+01 volume 0.19190E-02 ppm1 4.730 ppm2 7.336 CV 1 ASSI { 3828} (( segid " " and resid 1839 and name HB2 )) (( segid " " and resid 1836 and name HA )) 4.200 2.200 1.800 peak 3828 spectrum 1 weight 0.10000E+01 volume 0.25786E-03 ppm1 2.826 ppm2 4.450 CV 1 ASSI { 3829} (( segid " " and resid 1839 and name HB3 )) (( segid " " and resid 1839 and name HB2 )) 2.000 0.500 0.500 peak 3829 spectrum 1 weight 0.10000E+01 volume 0.10683E-01 ppm1 2.632 ppm2 2.813 CV 1 ASSI { 3830} (( segid " " and resid 1839 and name HA )) (( segid " " and resid 1839 and name HB2 )) 2.600 0.800 0.800 peak 3830 spectrum 1 weight 0.10000E+01 volume 0.45815E-02 ppm1 4.729 ppm2 2.811 CV 1 ASSI { 3831} (( segid " " and resid 1839 and name HA )) (( segid " " and resid 1839 and name HB3 )) 3.000 1.100 1.100 peak 3831 spectrum 1 weight 0.10000E+01 volume 0.29264E-02 ppm1 4.729 ppm2 2.633 CV 1 ASSI { 3834} (( segid " " and resid 1838 and name HB2 )) (( segid " " and resid 1838 and name HB3 )) 2.000 0.500 0.500 peak 3834 spectrum 1 weight 0.10000E+01 volume 0.53491E-02 ppm1 2.009 ppm2 1.461 CV 1 ASSI { 3835} (( segid " " and resid 1838 and name HA )) (( segid " " and resid 1838 and name HB3 )) 2.600 0.900 0.900 peak 3835 spectrum 1 weight 0.10000E+01 volume 0.26955E-02 ppm1 4.111 ppm2 1.463 CV 1 ASSI { 3836} (( segid " " and resid 1838 and name HA )) (( segid " " and resid 1901 and name HG3 )) 3.800 1.800 1.800 peak 3836 spectrum 1 weight 0.10000E+01 volume 0.74959E-03 ppm1 4.112 ppm2 1.377 CV 1 ASSI { 3838} (( segid " " and resid 1838 and name HB3 )) (( segid " " and resid 1838 and name HG )) 3.400 1.400 1.400 peak 3838 spectrum 1 weight 0.10000E+01 volume 0.13643E-02 ppm1 1.465 ppm2 1.874 CV 1 ASSI { 3839} (( segid " " and resid 1838 and name HA )) (( segid " " and resid 1838 and name HB2 )) 3.200 1.300 1.300 peak 3839 spectrum 1 weight 0.10000E+01 volume 0.15681E-02 ppm1 4.112 ppm2 2.010 CV 1 ASSI { 3840} (( segid " " and resid 1838 and name HA )) (( segid " " and resid 1838 and name HG )) 3.100 1.200 1.200 peak 3840 spectrum 1 weight 0.10000E+01 volume 0.15771E-02 ppm1 4.110 ppm2 1.869 CV 1 ASSI { 3841} (( segid " " and resid 1838 and name HB2 )) (( segid " " and resid 1838 and name HG )) 2.700 0.900 0.900 peak 3841 spectrum 1 weight 0.10000E+01 volume 0.17720E-02 ppm1 2.012 ppm2 1.875 CV 1 ASSI { 3842} (( segid " " and resid 1838 and name HA )) (( segid " " and resid 1901 and name HE3 )) 3.600 1.600 1.600 peak 3842 spectrum 1 weight 0.10000E+01 volume 0.83057E-03 ppm1 4.112 ppm2 2.979 CV 1 OR { 3842} (( segid " " and resid 1838 and name HA )) (( segid " " and resid 1901 and name HE2 )) ASSI { 3844} ( segid " " and resid 1838 and name HD2%) (( segid " " and resid 1838 and name HA )) 2.100 0.600 0.600 peak 3844 spectrum 1 weight 0.10000E+01 volume 0.96425E-02 ppm1 0.942 ppm2 4.104 CV 1 ASSI { 3848} ( segid " " and resid 1838 and name HD2%) (( segid " " and resid 1838 and name H )) 3.600 1.600 1.600 peak 3848 spectrum 1 weight 0.10000E+01 volume 0.19789E-02 ppm1 0.939 ppm2 7.401 CV 1 ASSI { 3851} ( segid " " and resid 1838 and name HD2%) (( segid " " and resid 1901 and name H )) 2.900 1.000 1.000 peak 3851 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 0.942 ppm2 7.040 CV 1 ASSI { 3853} (( segid " " and resid 1837 and name HG3 )) (( segid " " and resid 1837 and name HB3 )) 3.000 1.100 1.100 peak 3853 spectrum 1 weight 0.10000E+01 volume 0.28035E-02 ppm1 2.571 ppm2 2.249 CV 1 ASSI { 3854} (( segid " " and resid 1837 and name HG3 )) (( segid " " and resid 1837 and name HB2 )) 2.500 0.800 0.800 peak 3854 spectrum 1 weight 0.10000E+01 volume 0.30014E-02 ppm1 2.571 ppm2 2.074 CV 1 ASSI { 3856} (( segid " " and resid 1969 and name HG2 )) (( segid " " and resid 1969 and name HB2 )) 2.300 0.700 0.700 peak 3856 spectrum 1 weight 0.10000E+01 volume 0.88180E-02 ppm1 2.426 ppm2 2.113 CV 1 ASSI { 3859} (( segid " " and resid 1969 and name HG3 )) (( segid " " and resid 1969 and name HB2 )) 2.500 0.800 0.800 peak 3859 spectrum 1 weight 0.10000E+01 volume 0.83205E-02 ppm1 2.311 ppm2 2.118 CV 1 ASSI { 3860} (( segid " " and resid 1969 and name HG3 )) (( segid " " and resid 1969 and name HG2 )) 1.600 0.300 0.600 peak 3860 spectrum 1 weight 0.10000E+01 volume 0.26487E-01 ppm1 2.312 ppm2 2.421 CV 1 ASSI { 3862} (( segid " " and resid 1837 and name HB3 )) (( segid " " and resid 1837 and name HB2 )) 1.800 0.400 0.400 peak 3862 spectrum 1 weight 0.10000E+01 volume 0.12143E-01 ppm1 2.251 ppm2 2.071 CV 1 ASSI { 3864} (( segid " " and resid 1837 and name HB3 )) (( segid " " and resid 1837 and name HG2 )) 2.400 0.700 0.700 peak 3864 spectrum 1 weight 0.10000E+01 volume 0.36250E-02 ppm1 2.250 ppm2 2.450 CV 1 ASSI { 3866} (( segid " " and resid 1837 and name HB2 )) (( segid " " and resid 1837 and name HG2 )) 2.900 1.100 1.100 peak 3866 spectrum 1 weight 0.10000E+01 volume 0.36010E-02 ppm1 2.081 ppm2 2.459 CV 1 ASSI { 3868} (( segid " " and resid 1837 and name HG3 )) (( segid " " and resid 1837 and name HG2 )) 1.500 0.300 0.700 peak 3868 spectrum 1 weight 0.10000E+01 volume 0.25048E-01 ppm1 2.570 ppm2 2.462 CV 1 ASSI { 3871} (( segid " " and resid 1969 and name HG2 )) (( segid " " and resid 1969 and name HA )) 3.100 1.200 1.200 peak 3871 spectrum 1 weight 0.10000E+01 volume 0.53461E-02 ppm1 2.426 ppm2 4.176 CV 1 ASSI { 3873} (( segid " " and resid 1969 and name HG3 )) (( segid " " and resid 1969 and name HA )) 2.400 0.700 0.700 peak 3873 spectrum 1 weight 0.10000E+01 volume 0.49773E-02 ppm1 2.312 ppm2 4.185 CV 1 ASSI { 3875} (( segid " " and resid 1899 and name HG3 )) (( segid " " and resid 1899 and name HE21)) 3.100 1.200 1.200 peak 3875 spectrum 1 weight 0.10000E+01 volume 0.11964E-02 ppm1 2.453 ppm2 7.181 CV 1 OR { 3875} (( segid " " and resid 1899 and name HG2 )) (( segid " " and resid 1899 and name HE21)) ASSI { 3876} (( segid " " and resid 1899 and name HG2 )) (( segid " " and resid 1899 and name HE21)) 3.100 1.200 1.200 peak 3876 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 2.428 ppm2 7.172 CV 1 ASSI { 3878} (( segid " " and resid 1837 and name HG2 )) (( segid " " and resid 1837 and name HE22)) 4.300 2.300 1.700 peak 3878 spectrum 1 weight 0.10000E+01 volume 0.65067E-03 ppm1 2.469 ppm2 6.681 CV 1 ASSI { 3879} (( segid " " and resid 1899 and name HG3 )) (( segid " " and resid 1899 and name HE22)) 4.000 2.000 2.000 peak 3879 spectrum 1 weight 0.10000E+01 volume 0.74058E-03 ppm1 2.465 ppm2 6.288 CV 1 ASSI { 3880} (( segid " " and resid 1837 and name HB3 )) (( segid " " and resid 1838 and name H )) 4.100 2.100 1.900 peak 3880 spectrum 1 weight 0.10000E+01 volume 0.75861E-03 ppm1 2.250 ppm2 7.400 CV 1 ASSI { 3881} (( segid " " and resid 1837 and name HB2 )) (( segid " " and resid 1838 and name H )) 4.100 2.100 1.900 peak 3881 spectrum 1 weight 0.10000E+01 volume 0.78255E-03 ppm1 2.074 ppm2 7.398 CV 1 ASSI { 3882} (( segid " " and resid 1837 and name HG3 )) (( segid " " and resid 1837 and name HE21)) 2.800 1.000 1.000 peak 3882 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 2.568 ppm2 7.435 CV 1 ASSI { 3883} (( segid " " and resid 1969 and name HG2 )) (( segid " " and resid 1969 and name H )) 3.200 1.300 1.300 peak 3883 spectrum 1 weight 0.10000E+01 volume 0.33042E-02 ppm1 2.423 ppm2 7.787 CV 1 ASSI { 3884} (( segid " " and resid 1969 and name HG3 )) (( segid " " and resid 1969 and name H )) 3.000 1.100 1.100 peak 3884 spectrum 1 weight 0.10000E+01 volume 0.26116E-02 ppm1 2.312 ppm2 7.786 CV 1 ASSI { 3886} (( segid " " and resid 1969 and name HG3 )) (( segid " " and resid 1969 and name HE22)) 4.300 2.300 1.700 peak 3886 spectrum 1 weight 0.10000E+01 volume 0.77058E-03 ppm1 2.313 ppm2 7.291 CV 1 ASSI { 3887} (( segid " " and resid 1837 and name HG3 )) (( segid " " and resid 1837 and name H )) 3.300 1.400 1.400 peak 3887 spectrum 1 weight 0.10000E+01 volume 0.22218E-02 ppm1 2.568 ppm2 8.228 CV 1 ASSI { 3888} (( segid " " and resid 1837 and name HG2 )) (( segid " " and resid 1837 and name H )) 2.500 0.800 0.800 peak 3888 spectrum 1 weight 0.10000E+01 volume 0.26655E-02 ppm1 2.464 ppm2 8.230 CV 1 ASSI { 3889} (( segid " " and resid 1837 and name HB3 )) (( segid " " and resid 1837 and name H )) 2.600 2.600 3.400 peak 3889 spectrum 1 weight 0.10000E+01 volume 0.26565E-02 ppm1 2.250 ppm2 8.227 CV 1 ASSI { 3891} (( segid " " and resid 1836 and name HA )) (( segid " " and resid 1839 and name HB3 )) 3.600 1.600 1.600 peak 3891 spectrum 1 weight 0.10000E+01 volume 0.83958E-03 ppm1 4.443 ppm2 2.637 CV 1 ASSI { 3893} (( segid " " and resid 1836 and name HA )) (( segid " " and resid 1836 and name HB3 )) 2.400 0.700 0.700 peak 3893 spectrum 1 weight 0.10000E+01 volume 0.87852E-02 ppm1 4.447 ppm2 2.846 CV 1 OR { 3893} (( segid " " and resid 1836 and name HA )) (( segid " " and resid 1836 and name HB2 )) ASSI { 3894} (( segid " " and resid 1836 and name HA )) ( segid " " and resid 1835 and name HG2%) 3.000 1.100 1.100 peak 3894 spectrum 1 weight 0.10000E+01 volume 0.21228E-02 ppm1 4.447 ppm2 0.793 CV 1 ASSI { 3896} (( segid " " and resid 1836 and name HA )) (( segid " " and resid 1839 and name H )) 3.200 1.300 1.300 peak 3896 spectrum 1 weight 0.10000E+01 volume 0.14752E-02 ppm1 4.449 ppm2 7.499 CV 1 ASSI { 3897} (( segid " " and resid 1836 and name HA )) (( segid " " and resid 1838 and name H )) 3.400 1.400 1.400 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.10794E-02 ppm1 4.446 ppm2 7.400 CV 1 ASSI { 3898} (( segid " " and resid 1836 and name HA )) (( segid " " and resid 1921 and name HE22)) 3.400 1.500 1.500 peak 3898 spectrum 1 weight 0.10000E+01 volume 0.83353E-03 ppm1 4.452 ppm2 7.294 CV 1 ASSI { 3899} (( segid " " and resid 1836 and name HA )) (( segid " " and resid 1836 and name HD22)) 4.500 2.500 1.500 peak 3899 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 4.444 ppm2 6.799 CV 1 ASSI { 3900} (( segid " " and resid 1836 and name HB2 )) (( segid " " and resid 1836 and name HD21)) 2.500 0.800 0.800 peak 3900 spectrum 1 weight 0.10000E+01 volume 0.38799E-02 ppm1 2.850 ppm2 7.476 CV 1 OR { 3900} (( segid " " and resid 1836 and name HB3 )) (( segid " " and resid 1836 and name HD21)) ASSI { 3901} (( segid " " and resid 1836 and name HA )) (( segid " " and resid 1836 and name H )) 2.600 0.900 0.900 peak 3901 spectrum 1 weight 0.10000E+01 volume 0.38709E-02 ppm1 4.448 ppm2 8.274 CV 1 ASSI { 3902} (( segid " " and resid 1835 and name HA )) (( segid " " and resid 1835 and name H )) 2.900 1.000 1.000 peak 3902 spectrum 1 weight 0.10000E+01 volume 0.15861E-02 ppm1 3.593 ppm2 8.438 CV 1 ASSI { 3903} (( segid " " and resid 1835 and name HA )) (( segid " " and resid 1836 and name H )) 3.300 1.400 1.400 peak 3903 spectrum 1 weight 0.10000E+01 volume 0.75262E-03 ppm1 3.593 ppm2 8.273 CV 1 ASSI { 3904} (( segid " " and resid 1835 and name HB )) (( segid " " and resid 1835 and name H )) 2.900 1.000 1.000 peak 3904 spectrum 1 weight 0.10000E+01 volume 0.18380E-02 ppm1 1.935 ppm2 8.435 CV 1 ASSI { 3906} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1835 and name H )) 3.700 1.700 1.700 peak 3906 spectrum 1 weight 0.10000E+01 volume 0.21168E-02 ppm1 0.106 ppm2 8.439 CV 1 ASSI { 3907} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1836 and name H )) 4.200 2.200 1.800 peak 3907 spectrum 1 weight 0.10000E+01 volume 0.99244E-03 ppm1 0.105 ppm2 8.268 CV 1 ASSI { 3909} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1835 and name H )) 3.700 1.700 1.700 peak 3909 spectrum 1 weight 0.10000E+01 volume 0.21798E-02 ppm1 0.793 ppm2 8.438 CV 1 ASSI { 3910} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1836 and name H )) 3.200 1.300 1.300 peak 3910 spectrum 1 weight 0.10000E+01 volume 0.23837E-02 ppm1 0.795 ppm2 8.275 CV 1 ASSI { 3911} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1925 and name HE1 )) 3.200 1.300 1.300 peak 3911 spectrum 1 weight 0.10000E+01 volume 0.17451E-02 ppm1 0.793 ppm2 7.778 CV 1 ASSI { 3912} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1924 and name H )) 4.400 2.400 1.600 peak 3912 spectrum 1 weight 0.10000E+01 volume 0.93851E-03 ppm1 0.109 ppm2 7.864 CV 1 ASSI { 3913} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1925 and name HE1 )) 3.300 1.300 1.300 peak 3913 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 0.106 ppm2 7.775 CV 1 ASSI { 3914} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1925 and name H )) 3.100 1.200 1.200 peak 3914 spectrum 1 weight 0.10000E+01 volume 0.15681E-02 ppm1 0.106 ppm2 7.586 CV 1 ASSI { 3915} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1921 and name HE21)) 4.700 2.700 1.300 peak 3915 spectrum 1 weight 0.10000E+01 volume 0.67763E-03 ppm1 0.104 ppm2 7.258 CV 1 ASSI { 3916} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1925 and name HD2 )) 3.800 1.800 1.800 peak 3916 spectrum 1 weight 0.10000E+01 volume 0.65363E-03 ppm1 0.109 ppm2 6.942 CV 1 ASSI { 3917} (( segid " " and resid 1835 and name HA )) (( segid " " and resid 1921 and name HE21)) 3.400 1.500 1.500 peak 3917 spectrum 1 weight 0.10000E+01 volume 0.67461E-03 ppm1 3.591 ppm2 7.268 CV 1 ASSI { 3918} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1925 and name HD2 )) 3.700 1.700 1.700 peak 3918 spectrum 1 weight 0.10000E+01 volume 0.70460E-03 ppm1 0.793 ppm2 6.942 CV 1 ASSI { 3919} ( segid " " and resid 1835 and name HG2%) ( segid " " and resid 1893 and name HE% ) 4.400 2.400 1.600 peak 3919 spectrum 1 weight 0.10000E+01 volume 0.67165E-03 ppm1 0.791 ppm2 6.639 CV 1 ASSI { 3920} (( segid " " and resid 1835 and name HG13)) ( segid " " and resid 1893 and name HE% ) 3.600 1.600 1.600 peak 3920 spectrum 1 weight 0.10000E+01 volume 0.47974E-03 ppm1 2.051 ppm2 6.647 CV 1 ASSI { 3921} ( segid " " and resid 1835 and name HD1%) ( segid " " and resid 1893 and name HE% ) 3.900 1.900 1.900 peak 3921 spectrum 1 weight 0.10000E+01 volume 0.89351E-03 ppm1 0.112 ppm2 6.645 CV 1 ASSI { 3924} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1835 and name HA )) 2.500 0.800 0.800 peak 3924 spectrum 1 weight 0.10000E+01 volume 0.55950E-02 ppm1 0.793 ppm2 3.593 CV 1 ASSI { 3925} (( segid " " and resid 1835 and name HG12)) (( segid " " and resid 1832 and name HA )) 4.900 3.000 1.100 peak 3925 spectrum 1 weight 0.10000E+01 volume 0.42577E-03 ppm1 0.939 ppm2 3.675 CV 1 ASSI { 3926} (( segid " " and resid 1835 and name HG12)) (( segid " " and resid 1835 and name HA )) 2.900 1.000 1.000 peak 3926 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 0.946 ppm2 3.587 CV 1 ASSI { 3928} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1832 and name HA )) 2.500 0.800 0.800 peak 3928 spectrum 1 weight 0.10000E+01 volume 0.46535E-02 ppm1 0.107 ppm2 3.658 CV 1 ASSI { 3933} (( segid " " and resid 1835 and name HA )) (( segid " " and resid 1834 and name HA )) 4.200 2.200 1.800 peak 3933 spectrum 1 weight 0.10000E+01 volume 0.23387E-03 ppm1 3.591 ppm2 4.109 CV 1 ASSI { 3936} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1924 and name HA3 )) 2.700 0.900 0.900 peak 3936 spectrum 1 weight 0.10000E+01 volume 0.22038E-02 ppm1 0.108 ppm2 3.356 CV 1 ASSI { 3938} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1927 and name HB2 )) 4.800 2.900 1.200 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.39279E-03 ppm1 0.112 ppm2 2.843 CV 1 ASSI { 3939} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1921 and name HG2 )) 4.900 3.000 1.100 peak 3939 spectrum 1 weight 0.10000E+01 volume 0.42277E-03 ppm1 0.105 ppm2 2.756 CV 1 ASSI { 3941} (( segid " " and resid 1921 and name HB3 )) (( segid " " and resid 1921 and name HG2 )) 3.200 1.300 1.300 peak 3941 spectrum 1 weight 0.10000E+01 volume 0.17031E-02 ppm1 2.131 ppm2 2.741 CV 1 ASSI { 3942} (( segid " " and resid 1921 and name HB3 )) (( segid " " and resid 1921 and name HB2 )) 2.000 0.500 0.500 peak 3942 spectrum 1 weight 0.10000E+01 volume 0.62366E-02 ppm1 2.131 ppm2 2.567 CV 1 ASSI { 3943} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1836 and name HB2 )) 4.100 2.100 1.900 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.95350E-03 ppm1 0.795 ppm2 2.843 CV 1 ASSI { 3944} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1921 and name HG2 )) 3.500 1.500 1.500 peak 3944 spectrum 1 weight 0.10000E+01 volume 0.21318E-02 ppm1 0.795 ppm2 2.746 CV 1 ASSI { 3945} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1921 and name HB2 )) 4.000 2.000 2.000 peak 3945 spectrum 1 weight 0.10000E+01 volume 0.14392E-02 ppm1 0.796 ppm2 2.566 CV 1 ASSI { 3946} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1925 and name HB2 )) 4.800 2.900 1.200 peak 3946 spectrum 1 weight 0.10000E+01 volume 0.25486E-03 ppm1 0.796 ppm2 3.028 CV 1 ASSI { 3948} (( segid " " and resid 1835 and name HA )) (( segid " " and resid 1921 and name HB3 )) 4.100 2.100 1.900 peak 3948 spectrum 1 weight 0.10000E+01 volume 0.12653E-02 ppm1 3.591 ppm2 2.126 CV 1 OR { 3948} (( segid " " and resid 1835 and name HA )) (( segid " " and resid 1921 and name HG3 )) ASSI { 3949} (( segid " " and resid 1835 and name HA )) (( segid " " and resid 1835 and name HG13)) 2.900 1.000 1.000 peak 3949 spectrum 1 weight 0.10000E+01 volume 0.20329E-02 ppm1 3.593 ppm2 2.048 CV 1 ASSI { 3950} (( segid " " and resid 1835 and name HA )) (( segid " " and resid 1835 and name HB )) 3.000 1.100 1.100 peak 3950 spectrum 1 weight 0.10000E+01 volume 0.15861E-02 ppm1 3.592 ppm2 1.929 CV 1 ASSI { 3951} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1924 and name HA2 )) 3.300 1.300 1.300 peak 3951 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 0.108 ppm2 2.231 CV 1 ASSI { 3952} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1835 and name HG13)) 2.400 0.700 0.700 peak 3952 spectrum 1 weight 0.10000E+01 volume 0.50192E-02 ppm1 0.107 ppm2 2.052 CV 1 ASSI { 3953} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1835 and name HB )) 2.500 0.800 0.800 peak 3953 spectrum 1 weight 0.10000E+01 volume 0.46055E-02 ppm1 0.108 ppm2 1.935 CV 1 ASSI { 3954} (( segid " " and resid 1835 and name HG12)) (( segid " " and resid 1835 and name HG13)) 2.100 0.600 0.600 peak 3954 spectrum 1 weight 0.10000E+01 volume 0.29564E-02 ppm1 0.940 ppm2 2.054 CV 1 ASSI { 3955} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1921 and name HB3 )) 2.300 0.700 0.700 peak 3955 spectrum 1 weight 0.10000E+01 volume 0.69231E-02 ppm1 0.794 ppm2 2.130 CV 1 ASSI { 3956} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1835 and name HG13)) 3.200 1.300 1.300 peak 3956 spectrum 1 weight 0.10000E+01 volume 0.34811E-02 ppm1 0.796 ppm2 2.052 CV 1 ASSI { 3957} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1835 and name HB )) 2.300 0.600 0.600 peak 3957 spectrum 1 weight 0.10000E+01 volume 0.71812E-02 ppm1 0.793 ppm2 1.936 CV 1 ASSI { 3958} ( segid " " and resid 1835 and name HD1%) ( segid " " and resid 1834 and name HB% ) 4.300 2.300 1.700 peak 3958 spectrum 1 weight 0.10000E+01 volume 0.65363E-03 ppm1 0.108 ppm2 1.585 CV 1 ASSI { 3959} (( segid " " and resid 1835 and name HA )) ( segid " " and resid 1834 and name HB% ) 3.600 1.600 1.600 peak 3959 spectrum 1 weight 0.10000E+01 volume 0.56070E-03 ppm1 3.591 ppm2 1.589 CV 1 ASSI { 3960} ( segid " " and resid 1835 and name HD1%) ( segid " " and resid 1832 and name HG2%) 3.400 1.400 1.400 peak 3960 spectrum 1 weight 0.10000E+01 volume 0.14872E-02 ppm1 0.108 ppm2 1.184 CV 1 ASSI { 3961} (( segid " " and resid 1835 and name HB )) ( segid " " and resid 1832 and name HG2%) 4.000 2.000 2.000 peak 3961 spectrum 1 weight 0.10000E+01 volume 0.49473E-03 ppm1 1.940 ppm2 1.181 CV 1 ASSI { 3963} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1835 and name HG12)) 2.400 0.700 0.700 peak 3963 spectrum 1 weight 0.10000E+01 volume 0.51362E-02 ppm1 0.108 ppm2 0.933 CV 1 ASSI { 3964} ( segid " " and resid 1835 and name HD1%) ( segid " " and resid 1835 and name HG2%) 2.200 0.600 0.600 peak 3964 spectrum 1 weight 0.10000E+01 volume 0.10455E-01 ppm1 0.107 ppm2 0.793 CV 1 ASSI { 3965} ( segid " " and resid 1835 and name HD1%) ( segid " " and resid 1831 and name HG2%) 2.400 0.700 0.700 peak 3965 spectrum 1 weight 0.10000E+01 volume 0.58798E-02 ppm1 0.107 ppm2 0.600 CV 1 ASSI { 3966} (( segid " " and resid 1835 and name HB )) (( segid " " and resid 1835 and name HG12)) 3.500 1.600 1.600 peak 3966 spectrum 1 weight 0.10000E+01 volume 0.87253E-03 ppm1 1.939 ppm2 0.939 CV 1 ASSI { 3968} (( segid " " and resid 1835 and name HA )) ( segid " " and resid 1838 and name HD1%) 2.800 1.000 1.000 peak 3968 spectrum 1 weight 0.10000E+01 volume 0.36430E-02 ppm1 3.593 ppm2 0.965 CV 1 ASSI { 3970} (( segid " " and resid 1835 and name HG13)) ( segid " " and resid 1831 and name HG2%) 3.500 1.500 1.500 peak 3970 spectrum 1 weight 0.10000E+01 volume 0.59668E-03 ppm1 2.064 ppm2 0.608 CV 1 ASSI { 3971} (( segid " " and resid 1835 and name HG12)) ( segid " " and resid 1831 and name HG2%) 4.600 2.600 1.400 peak 3971 spectrum 1 weight 0.10000E+01 volume 0.35081E-03 ppm1 0.918 ppm2 0.604 CV 1 ASSI { 3976} (( segid " " and resid 1835 and name HA )) ( segid " " and resid 1835 and name HD1%) 3.900 1.900 1.900 peak 3976 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 3.592 ppm2 0.106 CV 1 ASSI { 3977} (( segid " " and resid 1835 and name HB )) (( segid " " and resid 1835 and name HG13)) 3.000 1.100 1.100 peak 3977 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 1.942 ppm2 2.049 CV 1 ASSI { 3979} (( segid " " and resid 1833 and name HA )) ( segid " " and resid 1832 and name HG2%) 3.300 1.300 1.300 peak 3979 spectrum 1 weight 0.10000E+01 volume 0.14272E-02 ppm1 4.034 ppm2 1.178 CV 1 ASSI { 3980} (( segid " " and resid 1870 and name HA )) (( segid " " and resid 1874 and name HG2 )) 3.400 1.500 1.500 peak 3980 spectrum 1 weight 0.10000E+01 volume 0.10015E-02 ppm1 4.099 ppm2 1.415 CV 1 OR { 3980} (( segid " " and resid 1870 and name HA )) (( segid " " and resid 1874 and name HG3 )) ASSI { 3981} (( segid " " and resid 1833 and name HB3 )) ( segid " " and resid 1834 and name HB% ) 3.600 1.600 1.600 peak 3981 spectrum 1 weight 0.10000E+01 volume 0.12473E-02 ppm1 2.110 ppm2 1.586 CV 1 ASSI { 3983} (( segid " " and resid 1833 and name HA )) (( segid " " and resid 1833 and name HB2 )) 2.300 0.700 0.700 peak 3983 spectrum 1 weight 0.10000E+01 volume 0.89802E-02 ppm1 4.028 ppm2 2.112 CV 1 OR { 3983} (( segid " " and resid 1833 and name HA )) (( segid " " and resid 1833 and name HB3 )) ASSI { 3984} (( segid " " and resid 1833 and name HG2 )) (( segid " " and resid 1833 and name HB2 )) 2.300 0.700 0.700 peak 3984 spectrum 1 weight 0.10000E+01 volume 0.78525E-02 ppm1 2.472 ppm2 2.115 CV 1 OR { 3984} (( segid " " and resid 1833 and name HG2 )) (( segid " " and resid 1833 and name HB3 )) ASSI { 3989} (( segid " " and resid 1833 and name HB2 )) (( segid " " and resid 1836 and name HB2 )) 4.200 2.200 1.800 peak 3989 spectrum 1 weight 0.10000E+01 volume 0.68665E-03 ppm1 2.118 ppm2 2.834 CV 1 ASSI { 3991} (( segid " " and resid 1869 and name HG3 )) (( segid " " and resid 1870 and name HA )) 3.000 1.100 1.100 peak 3991 spectrum 1 weight 0.10000E+01 volume 0.12143E-02 ppm1 2.432 ppm2 4.076 CV 1 ASSI { 3992} (( segid " " and resid 1833 and name HG2 )) (( segid " " and resid 1833 and name HA )) 3.100 1.200 1.200 peak 3992 spectrum 1 weight 0.10000E+01 volume 0.24497E-02 ppm1 2.476 ppm2 4.024 CV 1 ASSI { 3993} (( segid " " and resid 1833 and name HG2 )) (( segid " " and resid 1834 and name H )) 4.000 2.000 2.000 peak 3993 spectrum 1 weight 0.10000E+01 volume 0.60567E-03 ppm1 2.468 ppm2 7.770 CV 1 ASSI { 3994} (( segid " " and resid 1833 and name HG3 )) (( segid " " and resid 1834 and name H )) 4.300 2.300 1.700 peak 3994 spectrum 1 weight 0.10000E+01 volume 0.51872E-03 ppm1 2.354 ppm2 7.764 CV 1 ASSI { 3995} (( segid " " and resid 1833 and name HA )) (( segid " " and resid 1836 and name HD21)) 3.200 1.300 1.300 peak 3995 spectrum 1 weight 0.10000E+01 volume 0.98948E-03 ppm1 4.032 ppm2 7.474 CV 1 ASSI { 3996} (( segid " " and resid 1833 and name HG2 )) (( segid " " and resid 1833 and name H )) 3.600 1.700 1.700 peak 3996 spectrum 1 weight 0.10000E+01 volume 0.24707E-02 ppm1 2.476 ppm2 8.191 CV 1 ASSI { 3997} (( segid " " and resid 1833 and name HG3 )) (( segid " " and resid 1833 and name H )) 3.700 1.700 1.700 peak 3997 spectrum 1 weight 0.10000E+01 volume 0.19850E-02 ppm1 2.363 ppm2 8.191 CV 1 ASSI { 4000} (( segid " " and resid 1832 and name HA )) ( segid " " and resid 1835 and name HG2%) 4.100 2.100 1.900 peak 4000 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 3.663 ppm2 0.795 CV 1 ASSI { 4002} (( segid " " and resid 1832 and name HA )) (( segid " " and resid 1835 and name HB )) 2.900 1.100 1.100 peak 4002 spectrum 1 weight 0.10000E+01 volume 0.24826E-02 ppm1 3.661 ppm2 1.934 CV 1 ASSI { 4003} (( segid " " and resid 1873 and name HB )) (( segid " " and resid 1870 and name HG2 )) 4.800 2.900 1.200 peak 4003 spectrum 1 weight 0.10000E+01 volume 0.52472E-03 ppm1 4.211 ppm2 2.334 CV 1 ASSI { 4005} (( segid " " and resid 1832 and name HB )) (( segid " " and resid 1833 and name HB2 )) 4.000 2.000 2.000 peak 4005 spectrum 1 weight 0.10000E+01 volume 0.67461E-03 ppm1 4.336 ppm2 2.114 CV 1 ASSI { 4006} (( segid " " and resid 1855 and name HB )) (( segid " " and resid 1854 and name HG2 )) 3.900 1.900 1.900 peak 4006 spectrum 1 weight 0.10000E+01 volume 0.72559E-03 ppm1 4.216 ppm2 2.054 CV 1 ASSI { 4007} (( segid " " and resid 1832 and name HA )) ( segid " " and resid 1834 and name HB% ) 4.700 2.800 1.300 peak 4007 spectrum 1 weight 0.10000E+01 volume 0.21289E-03 ppm1 3.661 ppm2 1.579 CV 1 ASSI { 4009} ( segid " " and resid 1832 and name HG2%) (( segid " " and resid 1832 and name HA )) 2.400 0.700 0.700 peak 4009 spectrum 1 weight 0.10000E+01 volume 0.77386E-02 ppm1 1.184 ppm2 3.659 CV 1 ASSI { 4010} (( segid " " and resid 1832 and name HA )) (( segid " " and resid 1832 and name HB )) 3.200 1.300 1.300 peak 4010 spectrum 1 weight 0.10000E+01 volume 0.13703E-02 ppm1 3.662 ppm2 4.332 CV 1 ASSI { 4012} (( segid " " and resid 1832 and name HA )) (( segid " " and resid 1834 and name H )) 3.900 1.900 1.900 peak 4012 spectrum 1 weight 0.10000E+01 volume 0.49174E-03 ppm1 3.666 ppm2 7.772 CV 1 ASSI { 4013} (( segid " " and resid 1832 and name HA )) (( segid " " and resid 1836 and name H )) 3.700 1.700 1.700 peak 4013 spectrum 1 weight 0.10000E+01 volume 0.91154E-03 ppm1 3.665 ppm2 8.280 CV 1 ASSI { 4014} (( segid " " and resid 1832 and name HA )) (( segid " " and resid 1832 and name H )) 3.000 1.200 1.200 peak 4014 spectrum 1 weight 0.10000E+01 volume 0.15022E-02 ppm1 3.662 ppm2 8.603 CV 1 ASSI { 4018} ( segid " " and resid 1832 and name HG2%) (( segid " " and resid 1833 and name H )) 3.200 1.300 1.300 peak 4018 spectrum 1 weight 0.10000E+01 volume 0.28335E-02 ppm1 1.188 ppm2 8.200 CV 1 ASSI { 4019} ( segid " " and resid 1832 and name HG2%) (( segid " " and resid 1836 and name HD22)) 2.500 0.800 0.800 peak 4019 spectrum 1 weight 0.10000E+01 volume 0.50463E-02 ppm1 1.186 ppm2 6.789 CV 1 ASSI { 4022} (( segid " " and resid 1831 and name HA )) ( segid " " and resid 1890 and name HG2%) 4.600 2.600 1.400 peak 4022 spectrum 1 weight 0.10000E+01 volume 0.64468E-03 ppm1 3.806 ppm2 1.262 CV 1 ASSI { 4023} (( segid " " and resid 1831 and name HA )) ( segid " " and resid 1897 and name HB% ) 4.500 2.500 1.500 peak 4023 spectrum 1 weight 0.10000E+01 volume 0.57869E-03 ppm1 3.808 ppm2 0.986 CV 1 ASSI { 4024} (( segid " " and resid 1831 and name HA )) ( segid " " and resid 1831 and name HG2%) 2.600 0.800 0.800 peak 4024 spectrum 1 weight 0.10000E+01 volume 0.36580E-02 ppm1 3.807 ppm2 0.608 CV 1 ASSI { 4025} (( segid " " and resid 1831 and name HB )) ( segid " " and resid 1931 and name HG2%) 4.200 2.200 1.800 peak 4025 spectrum 1 weight 0.10000E+01 volume 0.50673E-03 ppm1 1.768 ppm2 0.934 CV 1 ASSI { 4027} ( segid " " and resid 1831 and name HD1%) ( segid " " and resid 1828 and name HG2%) 2.300 0.700 0.700 peak 4027 spectrum 1 weight 0.10000E+01 volume 0.89744E-02 ppm1 0.644 ppm2 0.838 CV 1 ASSI { 4029} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1890 and name HG2%) 4.600 2.700 1.400 peak 4029 spectrum 1 weight 0.10000E+01 volume 0.11634E-02 ppm1 0.601 ppm2 1.262 CV 1 ASSI { 4030} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1832 and name HG2%) 4.300 2.300 1.700 peak 4030 spectrum 1 weight 0.10000E+01 volume 0.56670E-03 ppm1 0.601 ppm2 1.179 CV 1 ASSI { 4031} ( segid " " and resid 1835 and name HG2%) (( segid " " and resid 1835 and name HG12)) 3.700 1.700 1.700 peak 4031 spectrum 1 weight 0.10000E+01 volume 0.35981E-03 ppm1 0.793 ppm2 0.943 CV 1 ASSI { 4033} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1831 and name HB )) 2.300 0.600 0.600 peak 4033 spectrum 1 weight 0.10000E+01 volume 0.63685E-02 ppm1 0.601 ppm2 1.772 CV 1 ASSI { 4034} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1834 and name HB% ) 3.400 1.400 1.400 peak 4034 spectrum 1 weight 0.10000E+01 volume 0.18710E-02 ppm1 0.600 ppm2 1.586 CV 1 ASSI { 4038} (( segid " " and resid 1956 and name HB2 )) (( segid " " and resid 1956 and name HB3 )) 1.900 0.400 0.400 peak 4038 spectrum 1 weight 0.10000E+01 volume 0.11064E-01 ppm1 2.055 ppm2 1.875 CV 1 OR { 4038} (( segid " " and resid 1956 and name HB2 )) (( segid " " and resid 1956 and name HG3 )) ASSI { 4039} (( segid " " and resid 1831 and name HG13)) (( segid " " and resid 1831 and name HB )) 3.000 1.100 1.100 peak 4039 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.066 ppm2 1.774 CV 1 OR { 4039} (( segid " " and resid 1831 and name HG12)) (( segid " " and resid 1831 and name HB )) ASSI { 4040} (( segid " " and resid 1831 and name HA )) (( segid " " and resid 1831 and name HG12)) 2.800 1.000 1.000 peak 4040 spectrum 1 weight 0.10000E+01 volume 0.18919E-02 ppm1 3.807 ppm2 2.078 CV 1 OR { 4040} (( segid " " and resid 1831 and name HA )) (( segid " " and resid 1831 and name HG13)) ASSI { 4044} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1927 and name HB3 )) 2.600 0.900 0.900 peak 4044 spectrum 1 weight 0.10000E+01 volume 0.28994E-02 ppm1 0.644 ppm2 2.233 CV 1 ASSI { 4045} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1831 and name HG12)) 2.300 0.600 0.600 peak 4045 spectrum 1 weight 0.10000E+01 volume 0.59637E-02 ppm1 0.644 ppm2 2.075 CV 1 OR { 4045} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1831 and name HG13)) ASSI { 4046} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1831 and name HB )) 2.500 0.800 0.800 peak 4046 spectrum 1 weight 0.10000E+01 volume 0.39729E-02 ppm1 0.644 ppm2 1.771 CV 1 ASSI { 4049} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1832 and name HA )) 3.200 1.300 1.300 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.12923E-02 ppm1 0.603 ppm2 3.660 CV 1 ASSI { 4050} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1828 and name HA )) 4.100 2.100 1.900 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.12204E-02 ppm1 0.603 ppm2 3.432 CV 1 ASSI { 4051} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1924 and name HA3 )) 3.600 1.600 1.600 peak 4051 spectrum 1 weight 0.10000E+01 volume 0.15502E-02 ppm1 0.600 ppm2 3.354 CV 1 ASSI { 4052} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1927 and name HB2 )) 3.400 1.500 1.500 peak 4052 spectrum 1 weight 0.10000E+01 volume 0.22128E-02 ppm1 0.644 ppm2 2.840 CV 1 ASSI { 4053} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1928 and name HA )) 2.300 0.700 0.700 peak 4053 spectrum 1 weight 0.10000E+01 volume 0.60627E-02 ppm1 0.644 ppm2 3.874 CV 1 ASSI { 4054} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1890 and name HA )) 2.600 0.800 0.800 peak 4054 spectrum 1 weight 0.10000E+01 volume 0.27255E-02 ppm1 0.645 ppm2 3.537 CV 1 ASSI { 4055} (( segid " " and resid 1831 and name HB )) (( segid " " and resid 1828 and name HA )) 3.100 1.200 1.200 peak 4055 spectrum 1 weight 0.10000E+01 volume 0.13193E-02 ppm1 1.774 ppm2 3.436 CV 1 ASSI { 4056} (( segid " " and resid 1831 and name HB )) (( segid " " and resid 1831 and name HA )) 3.200 1.200 1.200 peak 4056 spectrum 1 weight 0.10000E+01 volume 0.12623E-02 ppm1 1.775 ppm2 3.813 CV 1 ASSI { 4057} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1832 and name HB )) 4.900 3.000 1.100 peak 4057 spectrum 1 weight 0.10000E+01 volume 0.30284E-03 ppm1 0.599 ppm2 4.332 CV 1 ASSI { 4060} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1893 and name HE% ) 2.700 0.900 0.900 peak 4060 spectrum 1 weight 0.10000E+01 volume 0.24317E-02 ppm1 0.601 ppm2 6.641 CV 1 ASSI { 4062} (( segid " " and resid 1831 and name HA )) ( segid " " and resid 1893 and name HD% ) 3.400 1.400 1.400 peak 4062 spectrum 1 weight 0.10000E+01 volume 0.72263E-03 ppm1 3.807 ppm2 6.787 CV 1 ASSI { 4063} (( segid " " and resid 1831 and name HA )) ( segid " " and resid 1893 and name HE% ) 3.400 1.400 1.400 peak 4063 spectrum 1 weight 0.10000E+01 volume 0.67165E-03 ppm1 3.802 ppm2 6.643 CV 1 ASSI { 4064} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1927 and name H )) 4.200 2.200 1.800 peak 4064 spectrum 1 weight 0.10000E+01 volume 0.66566E-03 ppm1 0.600 ppm2 8.707 CV 1 ASSI { 4065} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1832 and name H )) 3.400 1.500 1.500 peak 4065 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 0.601 ppm2 8.599 CV 1 ASSI { 4066} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1928 and name H )) 2.700 0.900 0.900 peak 4066 spectrum 1 weight 0.10000E+01 volume 0.27555E-02 ppm1 0.601 ppm2 8.481 CV 1 ASSI { 4067} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1831 and name H )) 3.700 1.700 1.700 peak 4067 spectrum 1 weight 0.10000E+01 volume 0.17751E-02 ppm1 0.602 ppm2 8.304 CV 1 ASSI { 4068} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1924 and name H )) 4.400 2.500 1.600 peak 4068 spectrum 1 weight 0.10000E+01 volume 0.66566E-03 ppm1 0.601 ppm2 7.847 CV 1 ASSI { 4069} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1931 and name H )) 3.900 1.900 1.900 peak 4069 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 0.644 ppm2 8.594 CV 1 ASSI { 4070} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1928 and name H )) 3.300 1.400 1.400 peak 4070 spectrum 1 weight 0.10000E+01 volume 0.12923E-02 ppm1 0.646 ppm2 8.487 CV 1 ASSI { 4071} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1831 and name H )) 3.800 1.800 1.800 peak 4071 spectrum 1 weight 0.10000E+01 volume 0.17630E-02 ppm1 0.643 ppm2 8.303 CV 1 ASSI { 4072} (( segid " " and resid 1831 and name HB )) (( segid " " and resid 1832 and name H )) 3.100 1.200 1.200 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.11244E-02 ppm1 1.773 ppm2 8.608 CV 1 ASSI { 4079} (( segid " " and resid 1830 and name HA )) (( segid " " and resid 1834 and name H )) 3.900 1.900 1.900 peak 4079 spectrum 1 weight 0.10000E+01 volume 0.50673E-03 ppm1 4.148 ppm2 7.772 CV 1 ASSI { 4080} (( segid " " and resid 1962 and name HB2 )) (( segid " " and resid 1962 and name H )) 2.700 0.900 0.900 peak 4080 spectrum 1 weight 0.10000E+01 volume 0.29354E-02 ppm1 4.053 ppm2 7.584 CV 1 ASSI { 4082} (( segid " " and resid 1962 and name HB2 )) (( segid " " and resid 1963 and name H )) 3.500 1.500 1.500 peak 4082 spectrum 1 weight 0.10000E+01 volume 0.13283E-02 ppm1 4.053 ppm2 7.906 CV 1 ASSI { 4083} (( segid " " and resid 1958 and name HB2 )) (( segid " " and resid 1959 and name H )) 3.300 1.300 1.300 peak 4083 spectrum 1 weight 0.10000E+01 volume 0.17151E-02 ppm1 3.922 ppm2 7.868 CV 1 ASSI { 4084} (( segid " " and resid 1958 and name HB3 )) (( segid " " and resid 1958 and name H )) 2.800 1.000 1.000 peak 4084 spectrum 1 weight 0.10000E+01 volume 0.31483E-02 ppm1 3.984 ppm2 8.765 CV 1 ASSI { 4085} (( segid " " and resid 1958 and name HB2 )) (( segid " " and resid 1958 and name H )) 2.600 0.900 0.900 peak 4085 spectrum 1 weight 0.10000E+01 volume 0.29834E-02 ppm1 3.923 ppm2 8.765 CV 1 ASSI { 4086} (( segid " " and resid 1830 and name HA )) (( segid " " and resid 1830 and name HB2 )) 2.400 0.700 0.700 peak 4086 spectrum 1 weight 0.10000E+01 volume 0.81853E-02 ppm1 4.154 ppm2 4.012 CV 1 ASSI { 4087} (( segid " " and resid 1830 and name HA )) (( segid " " and resid 1833 and name HB3 )) 2.800 1.000 1.000 peak 4087 spectrum 1 weight 0.10000E+01 volume 0.29174E-02 ppm1 4.152 ppm2 2.113 CV 1 OR { 4087} (( segid " " and resid 1830 and name HA )) (( segid " " and resid 1833 and name HB2 )) ASSI { 4088} (( segid " " and resid 1814 and name HA )) ( segid " " and resid 1814 and name HG2%) 3.100 1.200 1.200 peak 4088 spectrum 1 weight 0.10000E+01 volume 0.23148E-02 ppm1 4.258 ppm2 1.141 CV 1 ASSI { 4089} (( segid " " and resid 1829 and name HA )) ( segid " " and resid 1832 and name HG2%) 3.800 1.800 1.800 peak 4089 spectrum 1 weight 0.10000E+01 volume 0.13253E-02 ppm1 4.372 ppm2 1.183 CV 1 ASSI { 4090} (( segid " " and resid 1829 and name HA )) ( segid " " and resid 1828 and name HG1%) 3.800 1.800 1.800 peak 4090 spectrum 1 weight 0.10000E+01 volume 0.53371E-03 ppm1 4.376 ppm2 0.935 CV 1 ASSI { 4092} (( segid " " and resid 1829 and name HB2 )) ( segid " " and resid 1828 and name HG1%) 4.600 2.600 1.400 peak 4092 spectrum 1 weight 0.10000E+01 volume 0.23387E-03 ppm1 2.635 ppm2 0.922 CV 1 ASSI { 4093} (( segid " " and resid 1829 and name HB2 )) ( segid " " and resid 1828 and name HG2%) 4.900 3.000 1.100 peak 4093 spectrum 1 weight 0.10000E+01 volume 0.29384E-03 ppm1 2.631 ppm2 0.844 CV 1 ASSI { 4094} (( segid " " and resid 1829 and name HA )) (( segid " " and resid 1829 and name HB3 )) 3.000 1.100 1.100 peak 4094 spectrum 1 weight 0.10000E+01 volume 0.32083E-02 ppm1 4.372 ppm2 2.737 CV 1 ASSI { 4095} (( segid " " and resid 1829 and name HA )) (( segid " " and resid 1829 and name HB2 )) 2.600 0.800 0.800 peak 4095 spectrum 1 weight 0.10000E+01 volume 0.41857E-02 ppm1 4.372 ppm2 2.629 CV 1 ASSI { 4096} (( segid " " and resid 1829 and name HB2 )) (( segid " " and resid 1829 and name HB3 )) 1.800 0.400 0.400 peak 4096 spectrum 1 weight 0.10000E+01 volume 0.16728E-01 ppm1 2.632 ppm2 2.734 CV 1 ASSI { 4098} (( segid " " and resid 1829 and name HB2 )) (( segid " " and resid 1826 and name HA2 )) 3.000 1.100 1.100 peak 4098 spectrum 1 weight 0.10000E+01 volume 0.13133E-02 ppm1 2.634 ppm2 3.956 CV 1 ASSI { 4103} (( segid " " and resid 1829 and name HB3 )) (( segid " " and resid 1830 and name HA )) 3.900 1.900 1.900 peak 4103 spectrum 1 weight 0.10000E+01 volume 0.50673E-03 ppm1 2.745 ppm2 4.152 CV 1 ASSI { 4104} (( segid " " and resid 1829 and name HB2 )) (( segid " " and resid 1830 and name HA )) 4.800 2.900 1.200 peak 4104 spectrum 1 weight 0.10000E+01 volume 0.43177E-03 ppm1 2.635 ppm2 4.149 CV 1 ASSI { 4105} (( segid " " and resid 1829 and name HA )) (( segid " " and resid 1832 and name H )) 3.300 1.400 1.400 peak 4105 spectrum 1 weight 0.10000E+01 volume 0.11154E-02 ppm1 4.371 ppm2 8.610 CV 1 ASSI { 4107} (( segid " " and resid 1829 and name HA )) (( segid " " and resid 1830 and name H )) 3.400 1.400 1.400 peak 4107 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 4.376 ppm2 7.852 CV 1 ASSI { 4111} (( segid " " and resid 1829 and name HB2 )) (( segid " " and resid 1829 and name H )) 2.700 0.900 0.900 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.28364E-02 ppm1 2.632 ppm2 8.376 CV 1 ASSI { 4112} (( segid " " and resid 1828 and name HA )) (( segid " " and resid 1831 and name H )) 3.200 1.300 1.300 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 3.432 ppm2 8.311 CV 1 ASSI { 4114} (( segid " " and resid 1828 and name HA )) ( segid " " and resid 1831 and name HD1%) 2.800 1.000 1.000 peak 4114 spectrum 1 weight 0.10000E+01 volume 0.19729E-02 ppm1 3.434 ppm2 0.638 CV 1 ASSI { 4115} (( segid " " and resid 1828 and name HA )) ( segid " " and resid 1828 and name HG2%) 2.500 0.800 0.800 peak 4115 spectrum 1 weight 0.10000E+01 volume 0.51032E-02 ppm1 3.432 ppm2 0.850 CV 1 ASSI { 4116} (( segid " " and resid 1826 and name HA2 )) (( segid " " and resid 1827 and name H )) 4.100 2.100 1.900 peak 4116 spectrum 1 weight 0.10000E+01 volume 0.67461E-03 ppm1 3.952 ppm2 7.679 CV 1 ASSI { 4119} (( segid " " and resid 1826 and name HA3 )) (( segid " " and resid 1826 and name H )) 3.100 1.200 1.200 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.17241E-02 ppm1 3.875 ppm2 8.109 CV 1 ASSI { 4121} (( segid " " and resid 1826 and name HA2 )) (( segid " " and resid 1829 and name HB3 )) 3.400 1.500 1.500 peak 4121 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 3.947 ppm2 2.737 CV 1 ASSI { 4122} (( segid " " and resid 1826 and name HA3 )) (( segid " " and resid 1829 and name HB3 )) 4.100 2.100 1.900 peak 4122 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 3.877 ppm2 2.739 CV 1 ASSI { 4124} (( segid " " and resid 1826 and name HA3 )) (( segid " " and resid 1829 and name HB2 )) 4.300 2.300 1.700 peak 4124 spectrum 1 weight 0.10000E+01 volume 0.80057E-03 ppm1 3.876 ppm2 2.628 CV 1 ASSI { 4126} (( segid " " and resid 1826 and name HA2 )) ( segid " " and resid 1828 and name HG1%) 4.500 2.500 1.500 peak 4126 spectrum 1 weight 0.10000E+01 volume 0.30584E-03 ppm1 3.949 ppm2 0.932 CV 1 ASSI { 4127} (( segid " " and resid 1826 and name HA3 )) ( segid " " and resid 1828 and name HG1%) 4.500 2.600 1.500 peak 4127 spectrum 1 weight 0.10000E+01 volume 0.58768E-03 ppm1 3.885 ppm2 0.927 CV 1 ASSI { 4130} (( segid " " and resid 1825 and name HA3 )) (( segid " " and resid 1825 and name HA2 )) 2.000 0.500 0.500 peak 4130 spectrum 1 weight 0.10000E+01 volume 0.82065E-02 ppm1 3.875 ppm2 3.730 CV 1 ASSI { 4133} (( segid " " and resid 1825 and name HA3 )) ( segid " " and resid 1828 and name HG1%) 4.300 2.300 1.700 peak 4133 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 3.880 ppm2 0.934 CV 1 ASSI { 4135} (( segid " " and resid 1953 and name HA )) (( segid " " and resid 1952 and name HG3 )) 3.200 3.200 2.800 peak 4135 spectrum 1 weight 0.10000E+01 volume 0.58169E-03 ppm1 4.018 ppm2 2.317 CV 1 OR { 4135} (( segid " " and resid 1953 and name HA )) (( segid " " and resid 1952 and name HG2 )) ASSI { 4136} (( segid " " and resid 1824 and name HA )) (( segid " " and resid 1824 and name HB )) 2.700 0.900 0.900 peak 4136 spectrum 1 weight 0.10000E+01 volume 0.37570E-02 ppm1 4.036 ppm2 2.173 CV 1 ASSI { 4139} (( segid " " and resid 1824 and name HB )) (( segid " " and resid 1824 and name H )) 3.100 1.200 1.200 peak 4139 spectrum 1 weight 0.10000E+01 volume 0.14242E-02 ppm1 2.179 ppm2 8.059 CV 1 ASSI { 4140} (( segid " " and resid 1824 and name HA )) (( segid " " and resid 1827 and name H )) 3.300 3.300 2.700 peak 4140 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 4.035 ppm2 7.678 CV 1 ASSI { 4141} (( segid " " and resid 1824 and name HA )) (( segid " " and resid 1826 and name H )) 2.900 2.900 3.100 peak 4141 spectrum 1 weight 0.10000E+01 volume 0.23837E-02 ppm1 4.025 ppm2 8.116 CV 1 ASSI { 4142} (( segid " " and resid 1824 and name HA )) (( segid " " and resid 1824 and name H )) 3.100 1.200 1.200 peak 4142 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 4.035 ppm2 8.055 CV 1 ASSI { 4143} ( segid " " and resid 1824 and name HG1%) (( segid " " and resid 1932 and name HA )) 2.600 0.800 0.800 peak 4143 spectrum 1 weight 0.10000E+01 volume 0.45455E-02 ppm1 0.890 ppm2 3.824 CV 1 ASSI { 4144} ( segid " " and resid 1824 and name HG1%) (( segid " " and resid 1824 and name HA )) 2.500 0.800 0.800 peak 4144 spectrum 1 weight 0.10000E+01 volume 0.63835E-02 ppm1 0.889 ppm2 4.033 CV 1 ASSI { 4149} (( segid " " and resid 1823 and name HA )) (( segid " " and resid 1823 and name HB )) 2.800 1.000 1.000 peak 4149 spectrum 1 weight 0.10000E+01 volume 0.26775E-02 ppm1 3.994 ppm2 2.130 CV 1 ASSI { 4150} (( segid " " and resid 1822 and name HA3 )) (( segid " " and resid 1822 and name H )) 3.300 1.300 1.300 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 3.909 ppm2 8.126 CV 1 ASSI { 4151} (( segid " " and resid 1821 and name HA )) ( segid " " and resid 1823 and name HG1%) 3.300 3.300 2.700 peak 4151 spectrum 1 weight 0.10000E+01 volume 0.19219E-02 ppm1 4.206 ppm2 0.936 CV 1 ASSI { 4159} (( segid " " and resid 1819 and name HA )) (( segid " " and resid 1819 and name HB2 )) 2.700 0.900 0.900 peak 4159 spectrum 1 weight 0.10000E+01 volume 0.38739E-02 ppm1 4.353 ppm2 3.904 CV 1 ASSI { 4160} (( segid " " and resid 1819 and name HA )) (( segid " " and resid 1819 and name HB3 )) 2.800 1.000 1.000 peak 4160 spectrum 1 weight 0.10000E+01 volume 0.36220E-02 ppm1 4.351 ppm2 3.842 CV 1 ASSI { 4161} (( segid " " and resid 1819 and name HA )) ( segid " " and resid 1820 and name HB% ) 3.700 1.800 1.800 peak 4161 spectrum 1 weight 0.10000E+01 volume 0.64165E-03 ppm1 4.357 ppm2 1.359 CV 1 ASSI { 4162} (( segid " " and resid 1819 and name HB2 )) ( segid " " and resid 1818 and name HB% ) 3.300 1.400 1.400 peak 4162 spectrum 1 weight 0.10000E+01 volume 0.50373E-03 ppm1 3.905 ppm2 1.361 CV 1 ASSI { 4165} (( segid " " and resid 1895 and name HB3 )) ( segid " " and resid 1860 and name HG2%) 3.100 1.200 1.200 peak 4165 spectrum 1 weight 0.10000E+01 volume 0.21738E-02 ppm1 1.983 ppm2 1.155 CV 1 ASSI { 4166} (( segid " " and resid 1859 and name HB2 )) ( segid " " and resid 1856 and name HG2%) 3.200 1.300 1.300 peak 4166 spectrum 1 weight 0.10000E+01 volume 0.16431E-02 ppm1 1.916 ppm2 1.153 CV 1 ASSI { 4169} (( segid " " and resid 1859 and name HB2 )) ( segid " " and resid 1858 and name HG2%) 4.100 2.100 1.900 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.11664E-02 ppm1 1.913 ppm2 0.850 CV 1 OR { 4169} (( segid " " and resid 1859 and name HB3 )) ( segid " " and resid 1858 and name HG2%) ASSI { 4171} (( segid " " and resid 1859 and name HB3 )) (( segid " " and resid 1859 and name HG2 )) 2.400 0.700 0.700 peak 4171 spectrum 1 weight 0.10000E+01 volume 0.58828E-02 ppm1 1.915 ppm2 1.563 CV 1 OR { 4171} (( segid " " and resid 1859 and name HB2 )) (( segid " " and resid 1859 and name HG2 )) ASSI { 4172} (( segid " " and resid 1859 and name HB2 )) (( segid " " and resid 1859 and name HG3 )) 2.100 0.600 0.600 peak 4172 spectrum 1 weight 0.10000E+01 volume 0.11787E-01 ppm1 1.916 ppm2 1.764 CV 1 OR { 4172} (( segid " " and resid 1859 and name HB3 )) (( segid " " and resid 1859 and name HG3 )) ASSI { 4173} (( segid " " and resid 1816 and name HB2 )) (( segid " " and resid 1816 and name HB3 )) 1.600 0.300 0.600 peak 4173 spectrum 1 weight 0.10000E+01 volume 0.32961E-01 ppm1 2.005 ppm2 1.894 CV 1 ASSI { 4174} (( segid " " and resid 1816 and name HA )) (( segid " " and resid 1816 and name HG2 )) 3.300 1.400 1.400 peak 4174 spectrum 1 weight 0.10000E+01 volume 0.18560E-02 ppm1 4.164 ppm2 2.216 CV 1 OR { 4174} (( segid " " and resid 1816 and name HA )) (( segid " " and resid 1816 and name HG3 )) ASSI { 4175} (( segid " " and resid 1933 and name HA )) (( segid " " and resid 1933 and name HB2 )) 2.500 0.800 0.800 peak 4175 spectrum 1 weight 0.10000E+01 volume 0.32862E-02 ppm1 4.105 ppm2 2.008 CV 1 ASSI { 4176} (( segid " " and resid 1816 and name HA )) (( segid " " and resid 1816 and name HB2 )) 3.000 1.100 1.100 peak 4176 spectrum 1 weight 0.10000E+01 volume 0.22068E-02 ppm1 4.162 ppm2 2.011 CV 1 ASSI { 4178} (( segid " " and resid 1895 and name HB3 )) (( segid " " and resid 1895 and name HA )) 2.400 0.700 0.700 peak 4178 spectrum 1 weight 0.10000E+01 volume 0.52951E-02 ppm1 1.980 ppm2 4.018 CV 1 ASSI { 4180} (( segid " " and resid 1859 and name HB2 )) (( segid " " and resid 1859 and name H )) 2.100 0.600 0.600 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.73222E-02 ppm1 1.915 ppm2 7.197 CV 1 ASSI { 4181} (( segid " " and resid 1919 and name HB3 )) (( segid " " and resid 1919 and name H )) 3.900 1.900 1.900 peak 4181 spectrum 1 weight 0.10000E+01 volume 0.98646E-03 ppm1 1.960 ppm2 8.616 CV 1 ASSI { 4182} (( segid " " and resid 1922 and name HB2 )) (( segid " " and resid 1922 and name H )) 3.000 1.200 1.200 peak 4182 spectrum 1 weight 0.10000E+01 volume 0.13553E-02 ppm1 1.926 ppm2 8.446 CV 1 ASSI { 4183} (( segid " " and resid 1969 and name HG2 )) ( segid " " and resid 1858 and name HG1%) 4.000 2.000 2.000 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.12533E-02 ppm1 2.418 ppm2 1.013 CV 1 ASSI { 4184} (( segid " " and resid 1857 and name HG2 )) ( segid " " and resid 1968 and name HD2%) 4.000 2.000 2.000 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.74657E-03 ppm1 2.311 ppm2 0.919 CV 1 OR { 4184} (( segid " " and resid 1857 and name HG2 )) ( segid " " and resid 1968 and name HD1%) ASSI { 4185} (( segid " " and resid 1969 and name HG3 )) ( segid " " and resid 1858 and name HG2%) 3.200 3.200 2.800 peak 4185 spectrum 1 weight 0.10000E+01 volume 0.62966E-03 ppm1 2.303 ppm2 0.836 CV 1 ASSI { 4189} (( segid " " and resid 1962 and name HA )) (( segid " " and resid 1965 and name H )) 3.500 1.600 1.600 peak 4189 spectrum 1 weight 0.10000E+01 volume 0.80958E-03 ppm1 4.153 ppm2 8.389 CV 1 ASSI { 4191} (( segid " " and resid 1962 and name HB3 )) (( segid " " and resid 1963 and name HA )) 3.700 3.700 2.300 peak 4191 spectrum 1 weight 0.10000E+01 volume 0.63566E-03 ppm1 3.989 ppm2 4.677 CV 1 ASSI { 4192} (( segid " " and resid 1962 and name HA )) (( segid " " and resid 1963 and name HA )) 4.400 2.500 1.600 peak 4192 spectrum 1 weight 0.10000E+01 volume 0.25187E-03 ppm1 4.160 ppm2 4.674 CV 1 ASSI { 4193} (( segid " " and resid 1962 and name HB2 )) (( segid " " and resid 1962 and name HA )) 2.700 0.900 0.900 peak 4193 spectrum 1 weight 0.10000E+01 volume 0.34001E-02 ppm1 4.052 ppm2 4.151 CV 1 ASSI { 4194} (( segid " " and resid 1962 and name HA )) (( segid " " and resid 1965 and name HG )) 4.000 2.000 2.000 peak 4194 spectrum 1 weight 0.10000E+01 volume 0.59668E-03 ppm1 4.158 ppm2 1.705 CV 1 ASSI { 4195} (( segid " " and resid 1962 and name HA )) ( segid " " and resid 1966 and name HB% ) 4.400 2.400 1.600 peak 4195 spectrum 1 weight 0.10000E+01 volume 0.29684E-03 ppm1 4.162 ppm2 1.527 CV 1 ASSI { 4197} (( segid " " and resid 1962 and name HA )) ( segid " " and resid 1961 and name HG1%) 3.400 1.500 1.500 peak 4197 spectrum 1 weight 0.10000E+01 volume 0.10944E-02 ppm1 4.151 ppm2 0.917 CV 1 ASSI { 4199} (( segid " " and resid 1962 and name HB2 )) ( segid " " and resid 1965 and name HD1%) 4.100 2.100 1.900 peak 4199 spectrum 1 weight 0.10000E+01 volume 0.81557E-03 ppm1 4.050 ppm2 0.836 CV 1 ASSI { 4201} ( segid " " and resid 1946 and name HG2%) (( segid " " and resid 1937 and name HB3 )) 3.700 1.800 1.800 peak 4201 spectrum 1 weight 0.10000E+01 volume 0.28785E-02 ppm1 1.132 ppm2 1.761 CV 1 ASSI { 4202} ( segid " " and resid 1946 and name HG2%) (( segid " " and resid 1937 and name HG )) 3.000 1.200 1.200 peak 4202 spectrum 1 weight 0.10000E+01 volume 0.36131E-02 ppm1 1.133 ppm2 1.644 CV 1 ASSI { 4204} ( segid " " and resid 1946 and name HG2%) (( segid " " and resid 1937 and name H )) 3.100 1.200 1.200 peak 4204 spectrum 1 weight 0.10000E+01 volume 0.29504E-02 ppm1 1.135 ppm2 8.213 CV 1 ASSI { 4205} ( segid " " and resid 1946 and name HG2%) (( segid " " and resid 1946 and name H )) 3.500 1.500 1.500 peak 4205 spectrum 1 weight 0.10000E+01 volume 0.23298E-02 ppm1 1.135 ppm2 8.131 CV 1 ASSI { 4206} ( segid " " and resid 1946 and name HG2%) (( segid " " and resid 1947 and name H )) 3.500 1.500 1.500 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.16311E-02 ppm1 1.134 ppm2 7.815 CV 1 ASSI { 4208} (( segid " " and resid 1952 and name HG2 )) (( segid " " and resid 1952 and name HB2 )) 2.200 0.600 0.600 peak 4208 spectrum 1 weight 0.10000E+01 volume 0.13325E-01 ppm1 2.324 ppm2 2.084 CV 1 OR { 4208} (( segid " " and resid 1952 and name HG3 )) (( segid " " and resid 1952 and name HB2 )) ASSI { 4209} (( segid " " and resid 1952 and name HG3 )) (( segid " " and resid 1952 and name HB3 )) 2.200 0.600 0.600 peak 4209 spectrum 1 weight 0.10000E+01 volume 0.14470E-01 ppm1 2.324 ppm2 1.998 CV 1 OR { 4209} (( segid " " and resid 1952 and name HG2 )) (( segid " " and resid 1952 and name HB3 )) ASSI { 4210} (( segid " " and resid 1952 and name HG3 )) (( segid " " and resid 1949 and name HA )) 2.800 1.000 1.000 peak 4210 spectrum 1 weight 0.10000E+01 volume 0.29474E-02 ppm1 2.322 ppm2 4.004 CV 1 OR { 4210} (( segid " " and resid 1952 and name HG2 )) (( segid " " and resid 1949 and name HA )) ASSI { 4211} (( segid " " and resid 1952 and name HG2 )) (( segid " " and resid 1952 and name HA )) 2.800 1.000 1.000 peak 4211 spectrum 1 weight 0.10000E+01 volume 0.50852E-02 ppm1 2.325 ppm2 4.156 CV 1 OR { 4211} (( segid " " and resid 1952 and name HG3 )) (( segid " " and resid 1952 and name HA )) ASSI { 4212} (( segid " " and resid 1952 and name HG2 )) (( segid " " and resid 1952 and name H )) 2.400 0.700 0.700 peak 4212 spectrum 1 weight 0.10000E+01 volume 0.56699E-02 ppm1 2.324 ppm2 7.996 CV 1 OR { 4212} (( segid " " and resid 1952 and name HG3 )) (( segid " " and resid 1952 and name H )) ASSI { 4213} (( segid " " and resid 1952 and name HG3 )) (( segid " " and resid 1953 and name H )) 3.200 1.300 1.300 peak 4213 spectrum 1 weight 0.10000E+01 volume 0.17510E-02 ppm1 2.326 ppm2 8.407 CV 1 OR { 4213} (( segid " " and resid 1952 and name HG2 )) (( segid " " and resid 1953 and name H )) ASSI { 4214} (( segid " " and resid 1952 and name HG2 )) (( segid " " and resid 1951 and name H )) 3.900 1.900 1.900 peak 4214 spectrum 1 weight 0.10000E+01 volume 0.96850E-03 ppm1 2.325 ppm2 8.088 CV 1 OR { 4214} (( segid " " and resid 1952 and name HG3 )) (( segid " " and resid 1951 and name H )) ASSI { 4215} (( segid " " and resid 1810 and name HB )) ( segid " " and resid 1810 and name HG2%) 2.900 1.100 1.100 peak 4215 spectrum 1 weight 0.10000E+01 volume 0.21018E-02 ppm1 1.756 ppm2 0.807 CV 1 ASSI { 4218} (( segid " " and resid 1862 and name HG2 )) (( segid " " and resid 1862 and name H )) 3.500 1.500 1.500 peak 4218 spectrum 1 weight 0.10000E+01 volume 0.12083E-02 ppm1 1.347 ppm2 8.272 CV 1 ASSI { 4221} (( segid " " and resid 1813 and name HB3 )) (( segid " " and resid 1813 and name HB2 )) 1.700 0.400 0.500 peak 4221 spectrum 1 weight 0.10000E+01 volume 0.20194E-01 ppm1 3.043 ppm2 3.163 CV 1 ASSI { 4223} (( segid " " and resid 1813 and name HB2 )) ( segid " " and resid 1813 and name HD% ) 3.300 1.300 1.300 peak 4223 spectrum 1 weight 0.10000E+01 volume 0.11634E-02 ppm1 3.175 ppm2 7.247 CV 1 ASSI { 4224} (( segid " " and resid 1813 and name HB3 )) ( segid " " and resid 1813 and name HD% ) 3.100 1.200 1.200 peak 4224 spectrum 1 weight 0.10000E+01 volume 0.16911E-02 ppm1 3.043 ppm2 7.251 CV 1 ASSI { 4225} (( segid " " and resid 1813 and name HA )) ( segid " " and resid 1813 and name HD% ) 3.300 1.300 1.300 peak 4225 spectrum 1 weight 0.10000E+01 volume 0.14842E-02 ppm1 4.589 ppm2 7.250 CV 1 ASSI { 4229} (( segid " " and resid 1846 and name HD2 )) ( segid " " and resid 1905 and name HG2%) 3.800 1.800 1.800 peak 4229 spectrum 1 weight 0.10000E+01 volume 0.14782E-02 ppm1 3.807 ppm2 0.935 CV 1 ASSI { 4231} (( segid " " and resid 1812 and name HD3 )) (( segid " " and resid 1812 and name HB3 )) 4.100 2.100 1.900 peak 4231 spectrum 1 weight 0.10000E+01 volume 0.47375E-03 ppm1 3.682 ppm2 1.564 CV 1 ASSI { 4232} (( segid " " and resid 1812 and name HD2 )) (( segid " " and resid 1812 and name HG3 )) 3.700 1.700 1.700 peak 4232 spectrum 1 weight 0.10000E+01 volume 0.93851E-03 ppm1 3.806 ppm2 1.670 CV 1 ASSI { 4233} (( segid " " and resid 1812 and name HD2 )) (( segid " " and resid 1812 and name HB3 )) 4.500 2.500 1.500 peak 4233 spectrum 1 weight 0.10000E+01 volume 0.52472E-03 ppm1 3.806 ppm2 1.566 CV 1 ASSI { 4234} (( segid " " and resid 1812 and name HD2 )) (( segid " " and resid 1812 and name HG2 )) 2.700 0.900 0.900 peak 4234 spectrum 1 weight 0.10000E+01 volume 0.22428E-02 ppm1 3.807 ppm2 1.848 CV 1 ASSI { 4235} (( segid " " and resid 1812 and name HD3 )) (( segid " " and resid 1812 and name HG2 )) 3.300 1.400 1.400 peak 4235 spectrum 1 weight 0.10000E+01 volume 0.19490E-02 ppm1 3.679 ppm2 1.856 CV 1 ASSI { 4236} (( segid " " and resid 1812 and name HA )) (( segid " " and resid 1812 and name HB2 )) 2.900 1.000 1.000 peak 4236 spectrum 1 weight 0.10000E+01 volume 0.40058E-02 ppm1 4.286 ppm2 2.088 CV 1 ASSI { 4241} (( segid " " and resid 1812 and name HD3 )) (( segid " " and resid 1812 and name HD2 )) 1.700 0.300 0.500 peak 4241 spectrum 1 weight 0.10000E+01 volume 0.23915E-01 ppm1 3.680 ppm2 3.800 CV 1 ASSI { 4246} ( segid " " and resid 1823 and name HG1%) ( segid " " and resid 1821 and name HB% ) 3.100 1.200 1.200 peak 4246 spectrum 1 weight 0.10000E+01 volume 0.25006E-02 ppm1 0.945 ppm2 1.356 CV 1 ASSI { 4247} ( segid " " and resid 1824 and name HG1%) (( segid " " and resid 1824 and name HB )) 2.300 0.600 0.600 peak 4247 spectrum 1 weight 0.10000E+01 volume 0.90188E-02 ppm1 0.889 ppm2 2.175 CV 1 ASSI { 4249} ( segid " " and resid 1824 and name HG1%) (( segid " " and resid 1824 and name H )) 3.500 1.500 1.500 peak 4249 spectrum 1 weight 0.10000E+01 volume 0.12893E-02 ppm1 0.889 ppm2 8.047 CV 1 ASSI { 4251} (( segid " " and resid 1823 and name HB )) (( segid " " and resid 1824 and name H )) 3.100 3.100 2.900 peak 4251 spectrum 1 weight 0.10000E+01 volume 0.15321E-02 ppm1 2.132 ppm2 8.045 CV 1 ASSI { 4253} (( segid " " and resid 1823 and name HA )) ( segid " " and resid 1821 and name HB% ) 5.100 3.200 0.900 peak 4253 spectrum 1 weight 0.10000E+01 volume 0.21289E-03 ppm1 3.992 ppm2 1.366 CV 1 ASSI { 4255} (( segid " " and resid 1816 and name HB2 )) (( segid " " and resid 1816 and name H )) 4.100 2.100 1.900 peak 4255 spectrum 1 weight 0.10000E+01 volume 0.39579E-03 ppm1 2.011 ppm2 8.392 CV 1 ASSI { 4256} (( segid " " and resid 1816 and name HB3 )) (( segid " " and resid 1816 and name HA )) 2.800 1.000 1.000 peak 4256 spectrum 1 weight 0.10000E+01 volume 0.30134E-02 ppm1 1.909 ppm2 4.158 CV 1 ASSI { 4257} (( segid " " and resid 1864 and name HG13)) (( segid " " and resid 1861 and name HA )) 2.900 1.000 1.000 peak 4257 spectrum 1 weight 0.10000E+01 volume 0.25156E-02 ppm1 2.020 ppm2 3.904 CV 1 ASSI { 4258} (( segid " " and resid 1895 and name HB2 )) (( segid " " and resid 1895 and name HA )) 2.700 0.900 0.900 peak 4258 spectrum 1 weight 0.10000E+01 volume 0.47314E-02 ppm1 1.869 ppm2 4.018 CV 1 ASSI { 4260} (( segid " " and resid 1895 and name HB3 )) (( segid " " and resid 1895 and name HD3 )) 2.900 1.100 1.100 peak 4260 spectrum 1 weight 0.10000E+01 volume 0.20899E-02 ppm1 1.974 ppm2 3.175 CV 1 OR { 4260} (( segid " " and resid 1895 and name HB3 )) (( segid " " and resid 1895 and name HD2 )) ASSI { 4263} (( segid " " and resid 1812 and name HD2 )) (( segid " " and resid 1812 and name HA )) 4.100 2.100 1.900 peak 4263 spectrum 1 weight 0.10000E+01 volume 0.56670E-03 ppm1 3.792 ppm2 4.285 CV 1 ASSI { 4265} (( segid " " and resid 1812 and name HD2 )) (( segid " " and resid 1811 and name HA )) 2.500 0.800 0.800 peak 4265 spectrum 1 weight 0.10000E+01 volume 0.55980E-02 ppm1 3.807 ppm2 4.818 CV 1 ASSI { 4269} (( segid " " and resid 1945 and name HB2 )) (( segid " " and resid 1943 and name HA )) 5.100 3.300 0.900 peak 4269 spectrum 1 weight 0.10000E+01 volume 0.27285E-03 ppm1 3.147 ppm2 4.596 CV 1 ASSI { 4270} (( segid " " and resid 1945 and name HA )) ( segid " " and resid 1945 and name HE% ) 5.000 3.100 1.000 peak 4270 spectrum 1 weight 0.10000E+01 volume 0.29384E-03 ppm1 4.154 ppm2 6.787 CV 1 ASSI { 4271} (( segid " " and resid 1850 and name HB3 )) ( segid " " and resid 1853 and name HD% ) 5.300 3.500 0.700 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.22788E-03 ppm1 2.985 ppm2 6.961 CV 1 ASSI { 4272} (( segid " " and resid 1873 and name HB )) (( segid " " and resid 1874 and name HB2 )) 4.500 2.500 1.500 peak 4272 spectrum 1 weight 0.10000E+01 volume 0.39279E-03 ppm1 4.213 ppm2 1.688 CV 1 ASSI { 4273} (( segid " " and resid 1873 and name HB )) (( segid " " and resid 1874 and name HG2 )) 3.200 1.300 1.300 peak 4273 spectrum 1 weight 0.10000E+01 volume 0.87253E-03 ppm1 4.208 ppm2 1.426 CV 1 ASSI { 4274} (( segid " " and resid 1873 and name HA )) (( segid " " and resid 1874 and name HG2 )) 4.500 2.500 1.500 peak 4274 spectrum 1 weight 0.10000E+01 volume 0.30284E-03 ppm1 3.919 ppm2 1.423 CV 1 ASSI { 4276} (( segid " " and resid 1855 and name HB )) ( segid " " and resid 1851 and name HG2%) 3.300 3.300 2.700 peak 4276 spectrum 1 weight 0.10000E+01 volume 0.50373E-03 ppm1 4.214 ppm2 0.912 CV 1 ASSI { 4277} (( segid " " and resid 1873 and name HA )) (( segid " " and resid 1876 and name HD21)) 4.300 2.400 1.700 peak 4277 spectrum 1 weight 0.10000E+01 volume 0.35381E-03 ppm1 3.920 ppm2 7.462 CV 1 ASSI { 4278} (( segid " " and resid 1873 and name HB )) (( segid " " and resid 1872 and name H )) 4.900 3.000 1.100 peak 4278 spectrum 1 weight 0.10000E+01 volume 0.35681E-03 ppm1 4.206 ppm2 7.839 CV 1 ASSI { 4279} (( segid " " and resid 1873 and name HB )) (( segid " " and resid 1870 and name H )) 5.200 3.300 0.800 peak 4279 spectrum 1 weight 0.10000E+01 volume 0.19190E-03 ppm1 4.211 ppm2 8.353 CV 1 ASSI { 4281} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1874 and name H )) 2.900 1.100 1.100 peak 4281 spectrum 1 weight 0.10000E+01 volume 0.29324E-02 ppm1 1.197 ppm2 8.849 CV 1 ASSI { 4282} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1870 and name HA )) 3.400 1.400 1.400 peak 4282 spectrum 1 weight 0.10000E+01 volume 0.23088E-02 ppm1 1.196 ppm2 4.083 CV 1 ASSI { 4283} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1873 and name HA )) 2.400 0.700 0.700 peak 4283 spectrum 1 weight 0.10000E+01 volume 0.97809E-02 ppm1 1.198 ppm2 3.920 CV 1 ASSI { 4284} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1874 and name HE2 )) 3.400 1.400 1.400 peak 4284 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 1.198 ppm2 2.877 CV 1 ASSI { 4285} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1870 and name HG3 )) 3.600 1.700 1.700 peak 4285 spectrum 1 weight 0.10000E+01 volume 0.13103E-02 ppm1 1.199 ppm2 2.243 CV 1 OR { 4285} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1870 and name HB3 )) ASSI { 4286} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1869 and name HG3 )) 3.200 3.200 2.800 peak 4286 spectrum 1 weight 0.10000E+01 volume 0.57569E-03 ppm1 1.199 ppm2 2.414 CV 1 OR { 4286} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1869 and name HG2 )) ASSI { 4287} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1874 and name HD3 )) 5.100 3.300 0.900 peak 4287 spectrum 1 weight 0.10000E+01 volume 0.26086E-03 ppm1 1.204 ppm2 1.540 CV 1 ASSI { 4288} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1874 and name HB2 )) 4.000 2.000 2.000 peak 4288 spectrum 1 weight 0.10000E+01 volume 0.10524E-02 ppm1 1.196 ppm2 1.685 CV 1 OR { 4288} ( segid " " and resid 1873 and name HG2%) (( segid " " and resid 1874 and name HB3 )) ASSI { 4289} (( segid " " and resid 1910 and name HB3 )) (( segid " " and resid 1910 and name H )) 2.800 1.000 1.000 peak 4289 spectrum 1 weight 0.10000E+01 volume 0.26596E-02 ppm1 2.007 ppm2 8.953 CV 1 OR { 4289} (( segid " " and resid 1910 and name HB2 )) (( segid " " and resid 1910 and name H )) ASSI { 4291} (( segid " " and resid 1910 and name HG3 )) (( segid " " and resid 1910 and name H )) 4.500 2.500 1.500 peak 4291 spectrum 1 weight 0.10000E+01 volume 0.67461E-03 ppm1 2.274 ppm2 8.953 CV 1 ASSI { 4292} (( segid " " and resid 1910 and name HG2 )) (( segid " " and resid 1910 and name H )) 4.700 2.700 1.300 peak 4292 spectrum 1 weight 0.10000E+01 volume 0.62366E-03 ppm1 2.308 ppm2 8.947 CV 1 ASSI { 4293} (( segid " " and resid 1955 and name HB3 )) (( segid " " and resid 1958 and name H )) 4.400 2.400 1.600 peak 4293 spectrum 1 weight 0.10000E+01 volume 0.41378E-03 ppm1 1.993 ppm2 8.758 CV 1 ASSI { 4294} (( segid " " and resid 1910 and name HG2 )) (( segid " " and resid 1911 and name H )) 4.000 2.000 2.000 peak 4294 spectrum 1 weight 0.10000E+01 volume 0.86056E-03 ppm1 2.306 ppm2 8.248 CV 1 ASSI { 4300} (( segid " " and resid 1870 and name HA )) ( segid " " and resid 1885 and name HD1%) 4.100 2.100 1.900 peak 4300 spectrum 1 weight 0.10000E+01 volume 0.72263E-03 ppm1 4.081 ppm2 0.757 CV 1 ASSI { 4301} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1909 and name H )) 2.800 1.000 1.000 peak 4301 spectrum 1 weight 0.10000E+01 volume 0.29864E-02 ppm1 4.609 ppm2 7.407 CV 1 ASSI { 4302} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1909 and name HD22)) 3.900 1.900 1.900 peak 4302 spectrum 1 weight 0.10000E+01 volume 0.92351E-03 ppm1 4.609 ppm2 7.713 CV 1 ASSI { 4303} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1912 and name H )) 4.700 2.800 1.300 peak 4303 spectrum 1 weight 0.10000E+01 volume 0.35681E-03 ppm1 4.617 ppm2 7.953 CV 1 ASSI { 4304} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1911 and name H )) 4.400 2.400 1.600 peak 4304 spectrum 1 weight 0.10000E+01 volume 0.74058E-03 ppm1 4.610 ppm2 8.246 CV 1 ASSI { 4305} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1912 and name H )) 3.700 1.700 1.700 peak 4305 spectrum 1 weight 0.10000E+01 volume 0.41978E-03 ppm1 2.905 ppm2 7.949 CV 1 ASSI { 4306} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1911 and name H )) 3.600 1.600 1.600 peak 4306 spectrum 1 weight 0.10000E+01 volume 0.54271E-03 ppm1 2.905 ppm2 8.244 CV 1 ASSI { 4307} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1910 and name H )) 2.800 1.000 1.000 peak 4307 spectrum 1 weight 0.10000E+01 volume 0.24976E-02 ppm1 4.607 ppm2 8.950 CV 1 ASSI { 4309} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1910 and name H )) 3.500 1.500 1.500 peak 4309 spectrum 1 weight 0.10000E+01 volume 0.53671E-03 ppm1 2.903 ppm2 8.954 CV 1 ASSI { 4310} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1909 and name HD21)) 3.100 1.200 1.200 peak 4310 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 2.905 ppm2 6.968 CV 1 ASSI { 4311} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1909 and name HD21)) 4.100 2.100 1.900 peak 4311 spectrum 1 weight 0.10000E+01 volume 0.71664E-03 ppm1 4.606 ppm2 6.966 CV 1 ASSI { 4314} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1910 and name HA )) 3.900 1.900 1.900 peak 4314 spectrum 1 weight 0.10000E+01 volume 0.89654E-03 ppm1 4.613 ppm2 4.102 CV 1 ASSI { 4315} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1910 and name HA )) 4.700 2.700 1.300 peak 4315 spectrum 1 weight 0.10000E+01 volume 0.23687E-03 ppm1 2.908 ppm2 4.101 CV 1 ASSI { 4316} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1912 and name HA )) 5.200 3.400 0.800 peak 4316 spectrum 1 weight 0.10000E+01 volume 0.24287E-03 ppm1 2.903 ppm2 3.816 CV 1 ASSI { 4317} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1909 and name HB2 )) 1.900 0.500 0.500 peak 4317 spectrum 1 weight 0.10000E+01 volume 0.91212E-02 ppm1 2.904 ppm2 2.684 CV 1 ASSI { 4319} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1909 and name HB3 )) 2.600 0.800 0.800 peak 4319 spectrum 1 weight 0.10000E+01 volume 0.46655E-02 ppm1 4.608 ppm2 2.902 CV 1 ASSI { 4320} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1909 and name HB2 )) 2.700 0.900 0.900 peak 4320 spectrum 1 weight 0.10000E+01 volume 0.36610E-02 ppm1 4.607 ppm2 2.682 CV 1 ASSI { 4321} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1910 and name HB2 )) 3.700 1.700 1.700 peak 4321 spectrum 1 weight 0.10000E+01 volume 0.13882E-02 ppm1 4.606 ppm2 1.999 CV 1 ASSI { 4322} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1911 and name HB2 )) 3.600 1.600 1.600 peak 4322 spectrum 1 weight 0.10000E+01 volume 0.57869E-03 ppm1 2.905 ppm2 1.996 CV 1 ASSI { 4323} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1912 and name HB )) 3.400 1.500 1.500 peak 4323 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 2.907 ppm2 1.650 CV 1 ASSI { 4324} (( segid " " and resid 1909 and name HB2 )) (( segid " " and resid 1912 and name HB )) 3.300 1.300 1.300 peak 4324 spectrum 1 weight 0.10000E+01 volume 0.12683E-02 ppm1 2.687 ppm2 1.655 CV 1 ASSI { 4325} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1912 and name HB )) 4.400 2.400 1.600 peak 4325 spectrum 1 weight 0.10000E+01 volume 0.43477E-03 ppm1 4.610 ppm2 1.646 CV 1 ASSI { 4326} (( segid " " and resid 1909 and name HB3 )) (( segid " " and resid 1912 and name HG12)) 3.300 1.400 1.400 peak 4326 spectrum 1 weight 0.10000E+01 volume 0.68665E-03 ppm1 2.905 ppm2 1.139 CV 1 ASSI { 4327} (( segid " " and resid 1909 and name HB3 )) ( segid " " and resid 1912 and name HG2%) 4.800 2.800 1.200 peak 4327 spectrum 1 weight 0.10000E+01 volume 0.51572E-03 ppm1 2.900 ppm2 0.841 CV 1 ASSI { 4328} (( segid " " and resid 1909 and name HB3 )) ( segid " " and resid 1912 and name HD1%) 4.100 2.200 1.900 peak 4328 spectrum 1 weight 0.10000E+01 volume 0.80353E-03 ppm1 2.897 ppm2 0.758 CV 1 ASSI { 4330} (( segid " " and resid 1909 and name HB2 )) ( segid " " and resid 1912 and name HD1%) 4.200 2.200 1.800 peak 4330 spectrum 1 weight 0.10000E+01 volume 0.74058E-03 ppm1 2.689 ppm2 0.759 CV 1 ASSI { 4336} ( segid " " and resid 1890 and name HG2%) ( segid " " and resid 1831 and name HD1%) 2.700 0.900 0.900 peak 4336 spectrum 1 weight 0.10000E+01 volume 0.46744E-02 ppm1 1.266 ppm2 0.644 CV 1 ASSI { 4337} ( segid " " and resid 1890 and name HG2%) ( segid " " and resid 1834 and name HB% ) 4.600 2.600 1.400 peak 4337 spectrum 1 weight 0.10000E+01 volume 0.43777E-03 ppm1 1.263 ppm2 1.580 CV 1 ASSI { 4338} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1827 and name HB3 )) 3.100 1.200 1.200 peak 4338 spectrum 1 weight 0.10000E+01 volume 0.24257E-02 ppm1 1.267 ppm2 2.334 CV 1 ASSI { 4339} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1827 and name HB2 )) 2.800 1.000 1.000 peak 4339 spectrum 1 weight 0.10000E+01 volume 0.19250E-02 ppm1 1.265 ppm2 2.190 CV 1 ASSI { 4340} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1831 and name HG13)) 2.400 0.700 0.700 peak 4340 spectrum 1 weight 0.10000E+01 volume 0.43777E-02 ppm1 1.266 ppm2 2.075 CV 1 OR { 4340} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1831 and name HG12)) ASSI { 4341} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1827 and name HG3 )) 2.800 1.000 1.000 peak 4341 spectrum 1 weight 0.10000E+01 volume 0.39818E-02 ppm1 1.266 ppm2 2.613 CV 1 OR { 4341} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1827 and name HG2 )) ASSI { 4343} (( segid " " and resid 1890 and name HA )) (( segid " " and resid 1893 and name HB3 )) 3.300 1.300 1.300 peak 4343 spectrum 1 weight 0.10000E+01 volume 0.66264E-03 ppm1 3.540 ppm2 2.848 CV 1 ASSI { 4344} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1890 and name HA )) 2.400 0.700 0.700 peak 4344 spectrum 1 weight 0.10000E+01 volume 0.59458E-02 ppm1 1.265 ppm2 3.543 CV 1 ASSI { 4345} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1890 and name HB )) 2.200 0.600 0.600 peak 4345 spectrum 1 weight 0.10000E+01 volume 0.84434E-02 ppm1 1.266 ppm2 4.385 CV 1 ASSI { 4347} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1830 and name HB2 )) 2.600 0.800 0.800 peak 4347 spectrum 1 weight 0.10000E+01 volume 0.44196E-02 ppm1 1.266 ppm2 4.022 CV 1 ASSI { 4348} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1891 and name HB3 )) 2.900 1.000 1.000 peak 4348 spectrum 1 weight 0.10000E+01 volume 0.47974E-02 ppm1 1.266 ppm2 3.954 CV 1 ASSI { 4350} (( segid " " and resid 1890 and name HA )) (( segid " " and resid 1891 and name HB3 )) 4.800 2.800 1.200 peak 4350 spectrum 1 weight 0.10000E+01 volume 0.29084E-03 ppm1 3.540 ppm2 3.943 CV 1 ASSI { 4352} (( segid " " and resid 1890 and name HA )) (( segid " " and resid 1890 and name HB )) 3.000 1.100 1.100 peak 4352 spectrum 1 weight 0.10000E+01 volume 0.15652E-02 ppm1 3.544 ppm2 4.384 CV 1 ASSI { 4353} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1827 and name H )) 3.400 1.400 1.400 peak 4353 spectrum 1 weight 0.10000E+01 volume 0.44376E-03 ppm1 1.268 ppm2 7.667 CV 1 ASSI { 4354} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1830 and name H )) 3.700 1.700 1.700 peak 4354 spectrum 1 weight 0.10000E+01 volume 0.80057E-03 ppm1 1.262 ppm2 7.856 CV 1 ASSI { 4355} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1891 and name H )) 2.900 1.100 1.100 peak 4355 spectrum 1 weight 0.10000E+01 volume 0.28934E-02 ppm1 1.265 ppm2 8.114 CV 1 ASSI { 4356} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1890 and name H )) 3.500 1.500 1.500 peak 4356 spectrum 1 weight 0.10000E+01 volume 0.26775E-02 ppm1 1.265 ppm2 8.036 CV 1 ASSI { 4359} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1831 and name H )) 3.700 1.700 1.700 peak 4359 spectrum 1 weight 0.10000E+01 volume 0.15742E-02 ppm1 1.266 ppm2 8.297 CV 1 ASSI { 4360} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1889 and name H )) 4.500 2.600 1.500 peak 4360 spectrum 1 weight 0.10000E+01 volume 0.50673E-03 ppm1 1.265 ppm2 8.599 CV 1 ASSI { 4361} (( segid " " and resid 1890 and name HA )) (( segid " " and resid 1889 and name H )) 4.900 3.000 1.100 peak 4361 spectrum 1 weight 0.10000E+01 volume 0.20989E-03 ppm1 3.541 ppm2 8.606 CV 1 ASSI { 4362} (( segid " " and resid 1890 and name HA )) (( segid " " and resid 1892 and name H )) 4.500 2.600 1.500 peak 4362 spectrum 1 weight 0.10000E+01 volume 0.20989E-03 ppm1 3.543 ppm2 8.764 CV 1 ASSI { 4363} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1892 and name H )) 4.600 2.700 1.400 peak 4363 spectrum 1 weight 0.10000E+01 volume 0.32383E-03 ppm1 1.266 ppm2 8.757 CV 1 ASSI { 4366} (( segid " " and resid 1879 and name HD2 )) (( segid " " and resid 1878 and name H )) 3.800 1.800 1.800 peak 4366 spectrum 1 weight 0.10000E+01 volume 0.12743E-02 ppm1 3.749 ppm2 8.701 CV 1 ASSI { 4367} (( segid " " and resid 1879 and name HG3 )) (( segid " " and resid 1878 and name H )) 4.500 2.600 1.500 peak 4367 spectrum 1 weight 0.10000E+01 volume 0.47375E-03 ppm1 2.065 ppm2 8.700 CV 1 ASSI { 4368} (( segid " " and resid 1879 and name HA )) (( segid " " and resid 1882 and name H )) 3.400 1.400 1.400 peak 4368 spectrum 1 weight 0.10000E+01 volume 0.11364E-02 ppm1 3.926 ppm2 7.832 CV 1 ASSI { 4369} (( segid " " and resid 1947 and name HB3 )) (( segid " " and resid 1945 and name H )) 3.900 1.900 1.900 peak 4369 spectrum 1 weight 0.10000E+01 volume 0.51572E-03 ppm1 1.908 ppm2 8.107 CV 1 ASSI { 4371} (( segid " " and resid 1879 and name HG3 )) (( segid " " and resid 1941 and name HA )) 4.000 2.000 2.000 peak 4371 spectrum 1 weight 0.10000E+01 volume 0.81557E-03 ppm1 2.064 ppm2 4.541 CV 1 ASSI { 4372} (( segid " " and resid 1879 and name HB2 )) (( segid " " and resid 1941 and name HA )) 4.500 2.500 1.500 peak 4372 spectrum 1 weight 0.10000E+01 volume 0.26986E-03 ppm1 2.176 ppm2 4.543 CV 1 ASSI { 4373} (( segid " " and resid 1879 and name HB3 )) (( segid " " and resid 1941 and name HA )) 4.000 2.000 2.000 peak 4373 spectrum 1 weight 0.10000E+01 volume 0.57869E-03 ppm1 1.892 ppm2 4.546 CV 1 ASSI { 4374} (( segid " " and resid 1879 and name HA )) (( segid " " and resid 1875 and name HA )) 2.600 0.800 0.800 peak 4374 spectrum 1 weight 0.10000E+01 volume 0.27585E-02 ppm1 3.925 ppm2 3.737 CV 1 ASSI { 4375} (( segid " " and resid 1879 and name HB2 )) (( segid " " and resid 1879 and name HA )) 2.500 0.800 0.800 peak 4375 spectrum 1 weight 0.10000E+01 volume 0.47104E-02 ppm1 2.171 ppm2 3.919 CV 1 ASSI { 4376} (( segid " " and resid 1879 and name HB2 )) (( segid " " and resid 1938 and name HA )) 2.700 0.900 0.900 peak 4376 spectrum 1 weight 0.10000E+01 volume 0.26236E-02 ppm1 2.171 ppm2 3.739 CV 1 ASSI { 4377} (( segid " " and resid 1879 and name HD2 )) (( segid " " and resid 1878 and name HB2 )) 4.100 2.100 1.900 peak 4377 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 3.751 ppm2 3.909 CV 1 ASSI { 4378} (( segid " " and resid 1879 and name HG2 )) (( segid " " and resid 1879 and name HD2 )) 2.300 0.700 0.700 peak 4378 spectrum 1 weight 0.10000E+01 volume 0.58978E-02 ppm1 2.065 ppm2 3.743 CV 1 OR { 4378} (( segid " " and resid 1879 and name HG3 )) (( segid " " and resid 1879 and name HD2 )) ASSI { 4380} (( segid " " and resid 1879 and name HB2 )) (( segid " " and resid 1879 and name HD3 )) 4.000 2.000 2.000 peak 4380 spectrum 1 weight 0.10000E+01 volume 0.11214E-02 ppm1 2.168 ppm2 3.399 CV 1 ASSI { 4381} (( segid " " and resid 1879 and name HB3 )) (( segid " " and resid 1879 and name HD3 )) 3.100 1.200 1.200 peak 4381 spectrum 1 weight 0.10000E+01 volume 0.12023E-02 ppm1 1.894 ppm2 3.403 CV 1 ASSI { 4384} (( segid " " and resid 1879 and name HD2 )) (( segid " " and resid 1879 and name HB2 )) 3.800 1.800 1.800 peak 4384 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 3.751 ppm2 2.166 CV 1 ASSI { 4386} (( segid " " and resid 1879 and name HD2 )) (( segid " " and resid 1879 and name HB3 )) 3.700 1.800 1.800 peak 4386 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 3.750 ppm2 1.896 CV 1 ASSI { 4387} (( segid " " and resid 1879 and name HG2 )) (( segid " " and resid 1879 and name HB2 )) 2.200 0.600 0.600 peak 4387 spectrum 1 weight 0.10000E+01 volume 0.82065E-02 ppm1 2.065 ppm2 2.166 CV 1 OR { 4387} (( segid " " and resid 1879 and name HG3 )) (( segid " " and resid 1879 and name HB2 )) ASSI { 4388} (( segid " " and resid 1879 and name HD2 )) ( segid " " and resid 1937 and name HD1%) 5.000 3.200 1.000 peak 4388 spectrum 1 weight 0.10000E+01 volume 0.42877E-03 ppm1 3.759 ppm2 0.940 CV 1 ASSI { 4389} (( segid " " and resid 1874 and name HB3 )) (( segid " " and resid 1874 and name HE3 )) 5.200 3.400 0.800 peak 4389 spectrum 1 weight 0.10000E+01 volume 0.34182E-03 ppm1 1.700 ppm2 2.945 CV 1 OR { 4389} (( segid " " and resid 1874 and name HB2 )) (( segid " " and resid 1874 and name HE3 )) ASSI { 4390} (( segid " " and resid 1874 and name HB3 )) (( segid " " and resid 1874 and name HE2 )) 4.000 2.000 2.000 peak 4390 spectrum 1 weight 0.10000E+01 volume 0.71960E-03 ppm1 1.695 ppm2 2.883 CV 1 OR { 4390} (( segid " " and resid 1874 and name HB2 )) (( segid " " and resid 1874 and name HE2 )) ASSI { 4391} (( segid " " and resid 1874 and name HD2 )) (( segid " " and resid 1874 and name HE3 )) 2.900 1.000 1.000 peak 4391 spectrum 1 weight 0.10000E+01 volume 0.11544E-02 ppm1 1.474 ppm2 2.942 CV 1 ASSI { 4392} (( segid " " and resid 1874 and name HD3 )) (( segid " " and resid 1874 and name HE3 )) 3.300 1.400 1.400 peak 4392 spectrum 1 weight 0.10000E+01 volume 0.14932E-02 ppm1 1.547 ppm2 2.943 CV 1 ASSI { 4393} (( segid " " and resid 1874 and name HD3 )) (( segid " " and resid 1874 and name HE2 )) 2.700 0.900 0.900 peak 4393 spectrum 1 weight 0.10000E+01 volume 0.13553E-02 ppm1 1.547 ppm2 2.888 CV 1 ASSI { 4394} (( segid " " and resid 1874 and name HD2 )) (( segid " " and resid 1874 and name HE2 )) 3.400 1.400 1.400 peak 4394 spectrum 1 weight 0.10000E+01 volume 0.11964E-02 ppm1 1.474 ppm2 2.890 CV 1 ASSI { 4395} (( segid " " and resid 1874 and name HG2 )) (( segid " " and resid 1874 and name HE3 )) 2.500 0.800 0.800 peak 4395 spectrum 1 weight 0.10000E+01 volume 0.27285E-02 ppm1 1.429 ppm2 2.943 CV 1 OR { 4395} (( segid " " and resid 1874 and name HG3 )) (( segid " " and resid 1874 and name HE3 )) ASSI { 4396} (( segid " " and resid 1874 and name HG2 )) (( segid " " and resid 1874 and name HE2 )) 2.800 1.000 1.000 peak 4396 spectrum 1 weight 0.10000E+01 volume 0.28335E-02 ppm1 1.426 ppm2 2.889 CV 1 OR { 4396} (( segid " " and resid 1874 and name HG3 )) (( segid " " and resid 1874 and name HE2 )) ASSI { 4398} (( segid " " and resid 1874 and name HG3 )) (( segid " " and resid 1870 and name HG3 )) 2.800 1.000 1.000 peak 4398 spectrum 1 weight 0.10000E+01 volume 0.93252E-03 ppm1 1.423 ppm2 2.250 CV 1 OR { 4398} (( segid " " and resid 1874 and name HG2 )) (( segid " " and resid 1870 and name HG3 )) ASSI { 4401} (( segid " " and resid 1874 and name HE2 )) (( segid " " and resid 1870 and name HG3 )) 4.600 2.600 1.400 peak 4401 spectrum 1 weight 0.10000E+01 volume 0.73157E-03 ppm1 2.885 ppm2 2.248 CV 1 ASSI { 4402} (( segid " " and resid 1874 and name HE3 )) (( segid " " and resid 1870 and name HG3 )) 4.100 2.100 1.900 peak 4402 spectrum 1 weight 0.10000E+01 volume 0.58169E-03 ppm1 2.951 ppm2 2.257 CV 1 ASSI { 4403} (( segid " " and resid 1874 and name HD3 )) (( segid " " and resid 1881 and name HB2 )) 3.100 1.200 1.200 peak 4403 spectrum 1 weight 0.10000E+01 volume 0.96245E-03 ppm1 1.543 ppm2 2.324 CV 1 OR { 4403} (( segid " " and resid 1874 and name HD3 )) (( segid " " and resid 1881 and name HG2 )) ASSI { 4405} (( segid " " and resid 1874 and name HD2 )) (( segid " " and resid 1870 and name HB3 )) 4.900 3.000 1.100 peak 4405 spectrum 1 weight 0.10000E+01 volume 0.52772E-03 ppm1 1.476 ppm2 2.236 CV 1 ASSI { 4407} (( segid " " and resid 1875 and name HA )) (( segid " " and resid 1879 and name HB2 )) 4.400 2.400 1.600 peak 4407 spectrum 1 weight 0.10000E+01 volume 0.94752E-03 ppm1 3.727 ppm2 2.171 CV 1 ASSI { 4409} (( segid " " and resid 1874 and name HG3 )) (( segid " " and resid 1874 and name HD3 )) 2.300 0.700 0.700 peak 4409 spectrum 1 weight 0.10000E+01 volume 0.60897E-02 ppm1 1.427 ppm2 1.543 CV 1 OR { 4409} (( segid " " and resid 1874 and name HG2 )) (( segid " " and resid 1874 and name HD3 )) ASSI { 4410} (( segid " " and resid 1874 and name HD2 )) (( segid " " and resid 1881 and name HB3 )) 3.800 1.800 1.800 peak 4410 spectrum 1 weight 0.10000E+01 volume 0.54271E-03 ppm1 1.472 ppm2 1.889 CV 1 ASSI { 4411} (( segid " " and resid 1874 and name HD2 )) (( segid " " and resid 1874 and name HB3 )) 3.900 1.900 1.900 peak 4411 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 1.473 ppm2 1.691 CV 1 OR { 4411} (( segid " " and resid 1874 and name HD2 )) (( segid " " and resid 1874 and name HB2 )) ASSI { 4412} (( segid " " and resid 1874 and name HD2 )) (( segid " " and resid 1874 and name HD3 )) 1.700 0.400 0.500 peak 4412 spectrum 1 weight 0.10000E+01 volume 0.10641E-01 ppm1 1.474 ppm2 1.542 CV 1 ASSI { 4413} (( segid " " and resid 1875 and name HA )) (( segid " " and resid 1879 and name HB3 )) 4.000 2.000 2.000 peak 4413 spectrum 1 weight 0.10000E+01 volume 0.50973E-03 ppm1 3.726 ppm2 1.895 CV 1 ASSI { 4414} (( segid " " and resid 1875 and name HA )) (( segid " " and resid 1874 and name HB3 )) 3.400 1.400 1.400 peak 4414 spectrum 1 weight 0.10000E+01 volume 0.89654E-03 ppm1 3.727 ppm2 1.693 CV 1 OR { 4414} (( segid " " and resid 1875 and name HA )) (( segid " " and resid 1874 and name HB2 )) ASSI { 4415} (( segid " " and resid 1874 and name HD2 )) ( segid " " and resid 1873 and name HG2%) 5.000 3.100 1.000 peak 4415 spectrum 1 weight 0.10000E+01 volume 0.28185E-03 ppm1 1.473 ppm2 1.196 CV 1 ASSI { 4416} (( segid " " and resid 1874 and name HD2 )) ( segid " " and resid 1885 and name HD2%) 4.700 2.700 1.300 peak 4416 spectrum 1 weight 0.10000E+01 volume 0.25486E-03 ppm1 1.471 ppm2 0.934 CV 1 ASSI { 4417} (( segid " " and resid 1895 and name HG3 )) ( segid " " and resid 1860 and name HG2%) 3.900 1.900 1.900 peak 4417 spectrum 1 weight 0.10000E+01 volume 0.11694E-02 ppm1 1.555 ppm2 1.161 CV 1 ASSI { 4418} (( segid " " and resid 1874 and name HD2 )) ( segid " " and resid 1885 and name HD1%) 4.300 2.300 1.700 peak 4418 spectrum 1 weight 0.10000E+01 volume 0.75262E-03 ppm1 1.471 ppm2 0.758 CV 1 ASSI { 4420} (( segid " " and resid 1875 and name HA )) ( segid " " and resid 1950 and name HD2%) 3.600 1.600 1.600 peak 4420 spectrum 1 weight 0.10000E+01 volume 0.17751E-02 ppm1 3.727 ppm2 0.756 CV 1 ASSI { 4421} (( segid " " and resid 1874 and name HD2 )) (( segid " " and resid 1874 and name HA )) 4.000 2.000 2.000 peak 4421 spectrum 1 weight 0.10000E+01 volume 0.15082E-02 ppm1 1.475 ppm2 4.217 CV 1 ASSI { 4425} (( segid " " and resid 1874 and name HD3 )) (( segid " " and resid 1878 and name HB2 )) 3.200 1.300 1.300 peak 4425 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 1.547 ppm2 3.904 CV 1 ASSI { 4426} (( segid " " and resid 1874 and name HE2 )) (( segid " " and resid 1878 and name HB3 )) 3.400 1.400 1.400 peak 4426 spectrum 1 weight 0.10000E+01 volume 0.11334E-02 ppm1 2.881 ppm2 3.673 CV 1 ASSI { 4431} (( segid " " and resid 1874 and name HB2 )) (( segid " " and resid 1874 and name H )) 2.600 0.800 0.800 peak 4431 spectrum 1 weight 0.10000E+01 volume 0.28095E-02 ppm1 1.694 ppm2 8.844 CV 1 OR { 4431} (( segid " " and resid 1874 and name HB3 )) (( segid " " and resid 1874 and name H )) ASSI { 4433} (( segid " " and resid 1875 and name HA )) (( segid " " and resid 1874 and name H )) 5.000 3.100 1.000 peak 4433 spectrum 1 weight 0.10000E+01 volume 0.28485E-03 ppm1 3.730 ppm2 8.851 CV 1 ASSI { 4434} (( segid " " and resid 1874 and name HD2 )) (( segid " " and resid 1874 and name H )) 5.100 3.200 0.900 peak 4434 spectrum 1 weight 0.10000E+01 volume 0.46175E-03 ppm1 1.477 ppm2 8.841 CV 1 ASSI { 4435} (( segid " " and resid 1874 and name HD3 )) (( segid " " and resid 1874 and name H )) 4.800 2.800 1.200 peak 4435 spectrum 1 weight 0.10000E+01 volume 0.52172E-03 ppm1 1.548 ppm2 8.842 CV 1 ASSI { 4436} (( segid " " and resid 1874 and name HE2 )) (( segid " " and resid 1874 and name H )) 5.000 3.100 1.000 peak 4436 spectrum 1 weight 0.10000E+01 volume 0.26686E-03 ppm1 2.881 ppm2 8.846 CV 1 ASSI { 4439} (( segid " " and resid 1917 and name HG3 )) (( segid " " and resid 1918 and name H )) 3.800 1.800 1.800 peak 4439 spectrum 1 weight 0.10000E+01 volume 0.26986E-03 ppm1 1.600 ppm2 8.667 CV 1 ASSI { 4440} (( segid " " and resid 1917 and name HG3 )) (( segid " " and resid 1914 and name HA )) 4.100 2.100 1.900 peak 4440 spectrum 1 weight 0.10000E+01 volume 0.39579E-03 ppm1 1.597 ppm2 3.964 CV 1 ASSI { 4442} (( segid " " and resid 1917 and name HG3 )) (( segid " " and resid 1917 and name HE3 )) 4.200 2.200 1.800 peak 4442 spectrum 1 weight 0.10000E+01 volume 0.50973E-03 ppm1 1.607 ppm2 2.869 CV 1 ASSI { 4443} (( segid " " and resid 1917 and name HG3 )) (( segid " " and resid 1917 and name HE2 )) 3.800 1.800 1.800 peak 4443 spectrum 1 weight 0.10000E+01 volume 0.71664E-03 ppm1 1.600 ppm2 2.758 CV 1 ASSI { 4444} (( segid " " and resid 1917 and name HG3 )) (( segid " " and resid 1917 and name HB2 )) 2.700 0.900 0.900 peak 4444 spectrum 1 weight 0.10000E+01 volume 0.19279E-02 ppm1 1.596 ppm2 1.861 CV 1 ASSI { 4446} (( segid " " and resid 1960 and name HD2 )) (( segid " " and resid 1960 and name HE3 )) 2.900 1.000 1.000 peak 4446 spectrum 1 weight 0.10000E+01 volume 0.19340E-02 ppm1 1.737 ppm2 2.977 CV 1 OR { 4446} (( segid " " and resid 1960 and name HD2 )) (( segid " " and resid 1960 and name HE2 )) ASSI { 4448} (( segid " " and resid 1859 and name HG3 )) (( segid " " and resid 1858 and name HB )) 4.300 2.300 1.700 peak 4448 spectrum 1 weight 0.10000E+01 volume 0.77360E-03 ppm1 1.746 ppm2 2.107 CV 1 ASSI { 4449} (( segid " " and resid 1960 and name HD2 )) (( segid " " and resid 1960 and name HA )) 3.600 1.600 1.600 peak 4449 spectrum 1 weight 0.10000E+01 volume 0.13193E-02 ppm1 1.737 ppm2 4.029 CV 1 ASSI { 4450} (( segid " " and resid 1960 and name HG3 )) (( segid " " and resid 1923 and name H )) 4.200 2.300 1.800 peak 4450 spectrum 1 weight 0.10000E+01 volume 0.29084E-03 ppm1 1.688 ppm2 8.169 CV 1 ASSI { 4451} (( segid " " and resid 1960 and name HG2 )) (( segid " " and resid 1923 and name H )) 5.200 3.400 0.800 peak 4451 spectrum 1 weight 0.10000E+01 volume 0.29984E-03 ppm1 1.622 ppm2 8.162 CV 1 ASSI { 4452} (( segid " " and resid 1933 and name HG2 )) (( segid " " and resid 1949 and name H )) 3.700 1.700 1.700 peak 4452 spectrum 1 weight 0.10000E+01 volume 0.12653E-02 ppm1 1.649 ppm2 8.043 CV 1 ASSI { 4453} (( segid " " and resid 1960 and name HG3 )) (( segid " " and resid 1960 and name H )) 4.500 2.500 1.500 peak 4453 spectrum 1 weight 0.10000E+01 volume 0.92351E-03 ppm1 1.680 ppm2 7.984 CV 1 ASSI { 4455} (( segid " " and resid 1960 and name HD2 )) (( segid " " and resid 1960 and name H )) 5.000 3.200 1.000 peak 4455 spectrum 1 weight 0.10000E+01 volume 0.41378E-03 ppm1 1.741 ppm2 7.985 CV 1 ASSI { 4456} (( segid " " and resid 1960 and name HD3 )) (( segid " " and resid 1960 and name H )) 4.000 2.000 2.000 peak 4456 spectrum 1 weight 0.10000E+01 volume 0.45576E-03 ppm1 1.896 ppm2 7.988 CV 1 ASSI { 4457} (( segid " " and resid 1870 and name HG2 )) (( segid " " and resid 1871 and name H )) 4.400 2.400 1.600 peak 4457 spectrum 1 weight 0.10000E+01 volume 0.48274E-03 ppm1 2.332 ppm2 8.472 CV 1 ASSI { 4459} (( segid " " and resid 1870 and name HB3 )) (( segid " " and resid 1869 and name H )) 4.600 2.600 1.400 peak 4459 spectrum 1 weight 0.10000E+01 volume 0.40178E-03 ppm1 2.249 ppm2 7.542 CV 1 ASSI { 4460} (( segid " " and resid 1870 and name HB2 )) (( segid " " and resid 1869 and name H )) 4.600 2.600 1.400 peak 4460 spectrum 1 weight 0.10000E+01 volume 0.46175E-03 ppm1 2.054 ppm2 7.543 CV 1 ASSI { 4461} (( segid " " and resid 1870 and name HA )) (( segid " " and resid 1869 and name H )) 4.400 2.400 1.600 peak 4461 spectrum 1 weight 0.10000E+01 volume 0.55770E-03 ppm1 4.079 ppm2 7.540 CV 1 ASSI { 4462} (( segid " " and resid 1870 and name HB3 )) (( segid " " and resid 1870 and name HA )) 2.900 1.000 1.000 peak 4462 spectrum 1 weight 0.10000E+01 volume 0.30224E-02 ppm1 2.247 ppm2 4.080 CV 1 ASSI { 4463} (( segid " " and resid 1870 and name HG2 )) (( segid " " and resid 1870 and name HA )) 3.200 1.300 1.300 peak 4463 spectrum 1 weight 0.10000E+01 volume 0.28454E-02 ppm1 2.340 ppm2 4.078 CV 1 ASSI { 4464} (( segid " " and resid 1922 and name HG2 )) (( segid " " and resid 1922 and name HA )) 2.800 1.000 1.000 peak 4464 spectrum 1 weight 0.10000E+01 volume 0.24707E-02 ppm1 2.427 ppm2 4.087 CV 1 ASSI { 4466} (( segid " " and resid 1870 and name HB2 )) (( segid " " and resid 1870 and name HA )) 2.400 0.700 0.700 peak 4466 spectrum 1 weight 0.10000E+01 volume 0.44976E-02 ppm1 2.054 ppm2 4.082 CV 1 ASSI { 4467} (( segid " " and resid 1870 and name HB2 )) (( segid " " and resid 1867 and name HA )) 3.100 1.200 1.200 peak 4467 spectrum 1 weight 0.10000E+01 volume 0.21408E-02 ppm1 2.055 ppm2 3.794 CV 1 ASSI { 4469} (( segid " " and resid 1870 and name HB3 )) (( segid " " and resid 1871 and name HA )) 4.000 2.000 2.000 peak 4469 spectrum 1 weight 0.10000E+01 volume 0.41378E-03 ppm1 2.248 ppm2 3.678 CV 1 ASSI { 4470} (( segid " " and resid 1880 and name HG2 )) (( segid " " and resid 1878 and name HB3 )) 3.800 1.800 1.800 peak 4470 spectrum 1 weight 0.10000E+01 volume 0.59368E-03 ppm1 2.353 ppm2 3.680 CV 1 ASSI { 4471} (( segid " " and resid 1870 and name HA )) (( segid " " and resid 1873 and name HB )) 2.400 0.700 0.700 peak 4471 spectrum 1 weight 0.10000E+01 volume 0.37090E-02 ppm1 4.081 ppm2 4.205 CV 1 ASSI { 4472} (( segid " " and resid 1922 and name HA )) (( segid " " and resid 1925 and name HB2 )) 3.000 1.100 1.100 peak 4472 spectrum 1 weight 0.10000E+01 volume 0.15802E-02 ppm1 4.084 ppm2 3.042 CV 1 ASSI { 4473} (( segid " " and resid 1870 and name HB3 )) (( segid " " and resid 1870 and name HG2 )) 2.200 2.200 3.800 peak 4473 spectrum 1 weight 0.10000E+01 volume 0.44286E-02 ppm1 2.248 ppm2 2.336 CV 1 ASSI { 4474} (( segid " " and resid 1870 and name HB3 )) (( segid " " and resid 1870 and name HB2 )) 1.900 0.400 0.400 peak 4474 spectrum 1 weight 0.10000E+01 volume 0.92203E-02 ppm1 2.247 ppm2 2.056 CV 1 ASSI { 4476} (( segid " " and resid 1870 and name HB3 )) (( segid " " and resid 1874 and name HG3 )) 4.900 3.000 1.100 peak 4476 spectrum 1 weight 0.10000E+01 volume 0.39279E-03 ppm1 2.249 ppm2 1.414 CV 1 OR { 4476} (( segid " " and resid 1870 and name HB3 )) (( segid " " and resid 1874 and name HG2 )) ASSI { 4477} (( segid " " and resid 1870 and name HG2 )) (( segid " " and resid 1874 and name HG3 )) 3.500 1.500 1.500 peak 4477 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 2.337 ppm2 1.431 CV 1 OR { 4477} (( segid " " and resid 1870 and name HG2 )) (( segid " " and resid 1874 and name HG2 )) ASSI { 4479} (( segid " " and resid 1870 and name HG2 )) ( segid " " and resid 1873 and name HG2%) 4.700 2.700 1.300 peak 4479 spectrum 1 weight 0.10000E+01 volume 0.50973E-03 ppm1 2.348 ppm2 1.195 CV 1 ASSI { 4482} (( segid " " and resid 1870 and name HB3 )) ( segid " " and resid 1885 and name HD1%) 2.900 1.100 1.100 peak 4482 spectrum 1 weight 0.10000E+01 volume 0.16521E-02 ppm1 2.248 ppm2 0.754 CV 1 ASSI { 4483} (( segid " " and resid 1870 and name HG2 )) ( segid " " and resid 1885 and name HD1%) 3.000 1.100 1.100 peak 4483 spectrum 1 weight 0.10000E+01 volume 0.19639E-02 ppm1 2.341 ppm2 0.754 CV 1 ASSI { 4484} (( segid " " and resid 1870 and name HB2 )) ( segid " " and resid 1885 and name HD1%) 3.500 1.500 1.500 peak 4484 spectrum 1 weight 0.10000E+01 volume 0.34781E-02 ppm1 2.060 ppm2 0.756 CV 1 ASSI { 4485} (( segid " " and resid 1870 and name HB2 )) ( segid " " and resid 1885 and name HD2%) 3.400 1.500 1.500 peak 4485 spectrum 1 weight 0.10000E+01 volume 0.39938E-02 ppm1 2.055 ppm2 0.935 CV 1 ASSI { 4486} (( segid " " and resid 1870 and name HB2 )) ( segid " " and resid 1867 and name HG2%) 4.200 2.200 1.800 peak 4486 spectrum 1 weight 0.10000E+01 volume 0.75861E-03 ppm1 2.065 ppm2 1.177 CV 1 ASSI { 4487} (( segid " " and resid 1871 and name HG3 )) (( segid " " and resid 1871 and name H )) 2.800 1.000 1.000 peak 4487 spectrum 1 weight 0.10000E+01 volume 0.21378E-02 ppm1 3.034 ppm2 8.466 CV 1 ASSI { 4488} (( segid " " and resid 1871 and name HG2 )) (( segid " " and resid 1871 and name H )) 3.100 1.200 1.200 peak 4488 spectrum 1 weight 0.10000E+01 volume 0.13703E-02 ppm1 2.110 ppm2 8.467 CV 1 ASSI { 4489} ( segid " " and resid 1871 and name HE% ) (( segid " " and resid 1886 and name H )) 2.600 0.800 0.800 peak 4489 spectrum 1 weight 0.10000E+01 volume 0.53311E-02 ppm1 1.805 ppm2 8.455 CV 1 ASSI { 4494} (( segid " " and resid 1871 and name HG3 )) (( segid " " and resid 1872 and name H )) 4.800 2.900 1.200 peak 4494 spectrum 1 weight 0.10000E+01 volume 0.33882E-03 ppm1 3.036 ppm2 7.838 CV 1 ASSI { 4495} (( segid " " and resid 1871 and name HG2 )) (( segid " " and resid 1872 and name H )) 4.800 2.900 1.200 peak 4495 spectrum 1 weight 0.10000E+01 volume 0.30584E-03 ppm1 2.110 ppm2 7.835 CV 1 ASSI { 4496} (( segid " " and resid 1871 and name HG2 )) (( segid " " and resid 1882 and name HA )) 4.100 2.100 1.900 peak 4496 spectrum 1 weight 0.10000E+01 volume 0.46475E-03 ppm1 2.104 ppm2 3.959 CV 1 ASSI { 4497} (( segid " " and resid 1871 and name HG2 )) (( segid " " and resid 1871 and name HA )) 2.700 0.900 0.900 peak 4497 spectrum 1 weight 0.10000E+01 volume 0.15592E-02 ppm1 2.110 ppm2 3.677 CV 1 ASSI { 4498} (( segid " " and resid 1871 and name HG3 )) (( segid " " and resid 1871 and name HA )) 3.700 1.700 1.700 peak 4498 spectrum 1 weight 0.10000E+01 volume 0.14332E-02 ppm1 3.033 ppm2 3.677 CV 1 ASSI { 4504} (( segid " " and resid 1871 and name HG2 )) (( segid " " and resid 1871 and name HG3 )) 2.000 0.500 0.500 peak 4504 spectrum 1 weight 0.10000E+01 volume 0.46625E-02 ppm1 2.110 ppm2 3.030 CV 1 ASSI { 4510} (( segid " " and resid 1871 and name HG3 )) (( segid " " and resid 1871 and name HB2 )) 2.800 1.000 1.000 peak 4510 spectrum 1 weight 0.10000E+01 volume 0.12503E-02 ppm1 3.033 ppm2 2.421 CV 1 ASSI { 4511} (( segid " " and resid 1871 and name HG2 )) (( segid " " and resid 1871 and name HB2 )) 3.300 1.400 1.400 peak 4511 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 2.107 ppm2 2.419 CV 1 ASSI { 4512} ( segid " " and resid 1871 and name HE% ) (( segid " " and resid 1871 and name HB2 )) 3.000 1.100 1.100 peak 4512 spectrum 1 weight 0.10000E+01 volume 0.39579E-02 ppm1 1.806 ppm2 2.422 CV 1 ASSI { 4513} ( segid " " and resid 1871 and name HE% ) (( segid " " and resid 1871 and name HG3 )) 2.500 0.800 0.800 peak 4513 spectrum 1 weight 0.10000E+01 volume 0.40478E-02 ppm1 1.804 ppm2 3.029 CV 1 ASSI { 4514} (( segid " " and resid 1871 and name HG2 )) (( segid " " and resid 1871 and name HB3 )) 2.700 0.900 0.900 peak 4514 spectrum 1 weight 0.10000E+01 volume 0.29804E-02 ppm1 2.105 ppm2 1.847 CV 1 ASSI { 4515} (( segid " " and resid 1871 and name HG2 )) ( segid " " and resid 1871 and name HE% ) 2.700 0.900 0.900 peak 4515 spectrum 1 weight 0.10000E+01 volume 0.29324E-02 ppm1 2.109 ppm2 1.815 CV 1 ASSI { 4516} (( segid " " and resid 1871 and name HG3 )) (( segid " " and resid 1871 and name HB3 )) 2.900 1.100 1.100 peak 4516 spectrum 1 weight 0.10000E+01 volume 0.24947E-02 ppm1 3.034 ppm2 1.823 CV 1 ASSI { 4519} (( segid " " and resid 1871 and name HG2 )) ( segid " " and resid 1867 and name HG2%) 3.600 1.600 1.600 peak 4519 spectrum 1 weight 0.10000E+01 volume 0.67461E-03 ppm1 2.107 ppm2 1.182 CV 1 ASSI { 4521} (( segid " " and resid 1871 and name HG3 )) (( segid " " and resid 1885 and name HB3 )) 3.700 1.700 1.700 peak 4521 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 3.032 ppm2 1.280 CV 1 ASSI { 4523} (( segid " " and resid 1871 and name HB3 )) ( segid " " and resid 1954 and name HB% ) 4.200 2.200 1.800 peak 4523 spectrum 1 weight 0.10000E+01 volume 0.36580E-03 ppm1 1.837 ppm2 1.306 CV 1 ASSI { 4524} (( segid " " and resid 1871 and name HB3 )) ( segid " " and resid 1867 and name HG2%) 5.100 3.300 0.900 peak 4524 spectrum 1 weight 0.10000E+01 volume 0.27585E-03 ppm1 1.841 ppm2 1.184 CV 1 ASSI { 4527} ( segid " " and resid 1871 and name HE% ) ( segid " " and resid 1886 and name HB% ) 2.100 0.600 0.600 peak 4527 spectrum 1 weight 0.10000E+01 volume 0.14830E-01 ppm1 1.805 ppm2 1.461 CV 1 ASSI { 4528} ( segid " " and resid 1871 and name HE% ) ( segid " " and resid 1934 and name HB% ) 1.900 0.500 0.500 peak 4528 spectrum 1 weight 0.10000E+01 volume 0.21139E-01 ppm1 1.805 ppm2 1.347 CV 1 ASSI { 4530} ( segid " " and resid 1871 and name HE% ) ( segid " " and resid 1930 and name HD2%) 1.900 0.400 0.400 peak 4530 spectrum 1 weight 0.10000E+01 volume 0.23915E-01 ppm1 1.805 ppm2 0.920 CV 1 ASSI { 4532} (( segid " " and resid 1871 and name HG2 )) ( segid " " and resid 1885 and name HD1%) 2.700 0.900 0.900 peak 4532 spectrum 1 weight 0.10000E+01 volume 0.16521E-02 ppm1 2.111 ppm2 0.756 CV 1 ASSI { 4536} (( segid " " and resid 1864 and name HG12)) (( segid " " and resid 1865 and name H )) 5.500 3.800 0.500 peak 4536 spectrum 1 weight 0.10000E+01 volume 0.28185E-03 ppm1 1.099 ppm2 7.801 CV 1 ASSI { 4538} (( segid " " and resid 1862 and name HA )) (( segid " " and resid 1863 and name H )) 3.200 1.300 1.300 peak 4538 spectrum 1 weight 0.10000E+01 volume 0.15352E-02 ppm1 3.903 ppm2 7.650 CV 1 ASSI { 4540} (( segid " " and resid 1862 and name HB2 )) (( segid " " and resid 1863 and name H )) 3.300 1.400 1.400 peak 4540 spectrum 1 weight 0.10000E+01 volume 0.93851E-03 ppm1 1.846 ppm2 7.652 CV 1 OR { 4540} (( segid " " and resid 1862 and name HB3 )) (( segid " " and resid 1863 and name H )) ASSI { 4542} (( segid " " and resid 1862 and name HB3 )) (( segid " " and resid 1863 and name H )) 4.000 2.000 2.000 peak 4542 spectrum 1 weight 0.10000E+01 volume 0.95949E-03 ppm1 1.853 ppm2 7.650 CV 1 ASSI { 4543} (( segid " " and resid 1862 and name HD2 )) (( segid " " and resid 1863 and name H )) 3.600 3.600 2.400 peak 4543 spectrum 1 weight 0.10000E+01 volume 0.31183E-03 ppm1 1.572 ppm2 7.656 CV 1 ASSI { 4544} (( segid " " and resid 1862 and name HG2 )) (( segid " " and resid 1863 and name H )) 5.200 3.400 0.800 peak 4544 spectrum 1 weight 0.10000E+01 volume 0.27285E-03 ppm1 1.344 ppm2 7.657 CV 1 ASSI { 4545} (( segid " " and resid 1862 and name HE3 )) (( segid " " and resid 1862 and name H )) 4.800 2.900 1.200 peak 4545 spectrum 1 weight 0.10000E+01 volume 0.43777E-03 ppm1 2.841 ppm2 8.279 CV 1 ASSI { 4546} (( segid " " and resid 1862 and name HE2 )) (( segid " " and resid 1862 and name H )) 5.100 3.200 0.900 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.38379E-03 ppm1 2.780 ppm2 8.266 CV 1 ASSI { 4547} (( segid " " and resid 1862 and name HG3 )) (( segid " " and resid 1863 and name H )) 4.600 2.700 1.400 peak 4547 spectrum 1 weight 0.10000E+01 volume 0.35381E-03 ppm1 1.730 ppm2 7.643 CV 1 ASSI { 4548} (( segid " " and resid 1857 and name HA )) (( segid " " and resid 1861 and name H )) 3.600 1.600 1.600 peak 4548 spectrum 1 weight 0.10000E+01 volume 0.75558E-03 ppm1 3.907 ppm2 8.937 CV 1 ASSI { 4551} (( segid " " and resid 1857 and name HA )) (( segid " " and resid 1856 and name HB )) 4.300 2.300 1.700 peak 4551 spectrum 1 weight 0.10000E+01 volume 0.29984E-03 ppm1 3.902 ppm2 4.162 CV 1 ASSI { 4553} (( segid " " and resid 1862 and name HG3 )) (( segid " " and resid 1862 and name HA )) 3.100 1.200 1.200 peak 4553 spectrum 1 weight 0.10000E+01 volume 0.32023E-02 ppm1 1.728 ppm2 3.903 CV 1 ASSI { 4554} (( segid " " and resid 1862 and name HG2 )) (( segid " " and resid 1862 and name HA )) 2.600 0.800 0.800 peak 4554 spectrum 1 weight 0.10000E+01 volume 0.29114E-02 ppm1 1.348 ppm2 3.900 CV 1 ASSI { 4555} (( segid " " and resid 1862 and name HE3 )) (( segid " " and resid 1859 and name HA )) 3.000 1.100 1.100 peak 4555 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 2.840 ppm2 3.900 CV 1 ASSI { 4557} (( segid " " and resid 1862 and name HD3 )) (( segid " " and resid 1862 and name HA )) 3.500 1.500 1.500 peak 4557 spectrum 1 weight 0.10000E+01 volume 0.28604E-02 ppm1 1.591 ppm2 3.900 CV 1 OR { 4557} (( segid " " and resid 1862 and name HD2 )) (( segid " " and resid 1862 and name HA )) ASSI { 4560} (( segid " " and resid 1862 and name HG3 )) (( segid " " and resid 1862 and name HE2 )) 3.400 1.400 1.400 peak 4560 spectrum 1 weight 0.10000E+01 volume 0.79755E-03 ppm1 1.729 ppm2 2.787 CV 1 ASSI { 4563} (( segid " " and resid 1862 and name HG3 )) (( segid " " and resid 1862 and name HE3 )) 3.100 1.200 1.200 peak 4563 spectrum 1 weight 0.10000E+01 volume 0.74959E-03 ppm1 1.729 ppm2 2.838 CV 1 ASSI { 4564} (( segid " " and resid 1862 and name HD2 )) (( segid " " and resid 1862 and name HE3 )) 2.700 0.900 0.900 peak 4564 spectrum 1 weight 0.10000E+01 volume 0.28754E-02 ppm1 1.568 ppm2 2.824 CV 1 OR { 4564} (( segid " " and resid 1862 and name HD3 )) (( segid " " and resid 1862 and name HE3 )) ASSI { 4566} (( segid " " and resid 1862 and name HG2 )) (( segid " " and resid 1862 and name HD2 )) 2.600 0.800 0.800 peak 4566 spectrum 1 weight 0.10000E+01 volume 0.32562E-02 ppm1 1.347 ppm2 1.575 CV 1 OR { 4566} (( segid " " and resid 1862 and name HG2 )) (( segid " " and resid 1862 and name HD3 )) ASSI { 4567} (( segid " " and resid 1862 and name HG2 )) (( segid " " and resid 1862 and name HB2 )) 3.000 1.100 1.100 peak 4567 spectrum 1 weight 0.10000E+01 volume 0.30044E-02 ppm1 1.351 ppm2 1.815 CV 1 ASSI { 4568} (( segid " " and resid 1862 and name HG2 )) (( segid " " and resid 1862 and name HG3 )) 1.900 0.500 0.500 peak 4568 spectrum 1 weight 0.10000E+01 volume 0.62816E-02 ppm1 1.346 ppm2 1.726 CV 1 ASSI { 4570} (( segid " " and resid 1862 and name HE3 )) (( segid " " and resid 1862 and name HG2 )) 3.300 1.300 1.300 peak 4570 spectrum 1 weight 0.10000E+01 volume 0.23987E-02 ppm1 2.842 ppm2 1.345 CV 1 ASSI { 4571} (( segid " " and resid 1862 and name HE2 )) (( segid " " and resid 1862 and name HG2 )) 2.800 1.000 1.000 peak 4571 spectrum 1 weight 0.10000E+01 volume 0.22008E-02 ppm1 2.779 ppm2 1.348 CV 1 ASSI { 4573} (( segid " " and resid 1862 and name HE2 )) (( segid " " and resid 1862 and name HD3 )) 2.400 0.700 0.700 peak 4573 spectrum 1 weight 0.10000E+01 volume 0.58228E-02 ppm1 2.779 ppm2 1.569 CV 1 OR { 4573} (( segid " " and resid 1862 and name HE2 )) (( segid " " and resid 1862 and name HD2 )) ASSI { 4576} (( segid " " and resid 1862 and name HG2 )) ( segid " " and resid 1965 and name HD2%) 3.400 1.400 1.400 peak 4576 spectrum 1 weight 0.10000E+01 volume 0.66264E-03 ppm1 1.350 ppm2 0.925 CV 1 ASSI { 4577} (( segid " " and resid 1862 and name HG2 )) ( segid " " and resid 1965 and name HD1%) 2.900 1.000 1.000 peak 4577 spectrum 1 weight 0.10000E+01 volume 0.15171E-02 ppm1 1.357 ppm2 0.843 CV 1 ASSI { 4580} (( segid " " and resid 1859 and name HG2 )) (( segid " " and resid 1859 and name H )) 4.200 2.200 1.800 peak 4580 spectrum 1 weight 0.10000E+01 volume 0.86056E-03 ppm1 1.567 ppm2 7.194 CV 1 ASSI { 4581} (( segid " " and resid 1859 and name HG3 )) (( segid " " and resid 1859 and name H )) 2.600 0.900 0.900 peak 4581 spectrum 1 weight 0.10000E+01 volume 0.21798E-02 ppm1 1.765 ppm2 7.199 CV 1 ASSI { 4582} (( segid " " and resid 1956 and name HD3 )) (( segid " " and resid 1956 and name H )) 4.700 2.700 1.300 peak 4582 spectrum 1 weight 0.10000E+01 volume 0.43777E-03 ppm1 3.146 ppm2 7.714 CV 1 ASSI { 4583} (( segid " " and resid 1859 and name HG3 )) (( segid " " and resid 1859 and name HA )) 2.800 1.000 1.000 peak 4583 spectrum 1 weight 0.10000E+01 volume 0.38319E-02 ppm1 1.764 ppm2 3.902 CV 1 ASSI { 4584} (( segid " " and resid 1859 and name HG2 )) (( segid " " and resid 1859 and name HA )) 2.600 0.800 0.800 peak 4584 spectrum 1 weight 0.10000E+01 volume 0.32083E-02 ppm1 1.566 ppm2 3.898 CV 1 ASSI { 4585} (( segid " " and resid 1960 and name HD2 )) (( segid " " and resid 1963 and name HB2 )) 3.600 1.600 1.600 peak 4585 spectrum 1 weight 0.10000E+01 volume 0.86352E-03 ppm1 1.731 ppm2 3.461 CV 1 ASSI { 4586} (( segid " " and resid 1933 and name HD3 )) ( segid " " and resid 1946 and name HG2%) 4.000 2.000 2.000 peak 4586 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 1.578 ppm2 1.145 CV 1 ASSI { 4587} (( segid " " and resid 1859 and name HG3 )) ( segid " " and resid 1856 and name HG2%) 4.100 2.100 1.900 peak 4587 spectrum 1 weight 0.10000E+01 volume 0.61767E-03 ppm1 1.763 ppm2 1.162 CV 1 ASSI { 4590} (( segid " " and resid 1857 and name HB3 )) (( segid " " and resid 1858 and name H )) 4.500 2.600 1.500 peak 4590 spectrum 1 weight 0.10000E+01 volume 0.23687E-03 ppm1 1.875 ppm2 8.531 CV 1 ASSI { 4592} (( segid " " and resid 1857 and name HG3 )) (( segid " " and resid 1858 and name H )) 5.100 3.200 0.900 peak 4592 spectrum 1 weight 0.10000E+01 volume 0.22188E-03 ppm1 2.889 ppm2 8.519 CV 1 ASSI { 4595} ( segid " " and resid 1857 and name HE% ) (( segid " " and resid 1857 and name H )) 4.500 2.500 1.500 peak 4595 spectrum 1 weight 0.10000E+01 volume 0.12623E-02 ppm1 1.784 ppm2 8.840 CV 1 ASSI { 4596} ( segid " " and resid 1857 and name HE% ) (( segid " " and resid 1920 and name H )) 3.900 1.900 1.900 peak 4596 spectrum 1 weight 0.10000E+01 volume 0.11154E-02 ppm1 1.784 ppm2 8.522 CV 1 ASSI { 4597} ( segid " " and resid 1857 and name HE% ) (( segid " " and resid 1900 and name H )) 2.900 1.000 1.000 peak 4597 spectrum 1 weight 0.10000E+01 volume 0.28964E-02 ppm1 1.788 ppm2 7.838 CV 1 ASSI { 4598} (( segid " " and resid 1969 and name HG3 )) (( segid " " and resid 1969 and name HE21)) 3.500 1.500 1.500 peak 4598 spectrum 1 weight 0.10000E+01 volume 0.32982E-03 ppm1 2.311 ppm2 6.781 CV 1 ASSI { 4599} (( segid " " and resid 1969 and name HG3 )) (( segid " " and resid 1854 and name HE22)) 4.100 2.100 1.900 peak 4599 spectrum 1 weight 0.10000E+01 volume 0.38080E-03 ppm1 2.318 ppm2 6.960 CV 1 ASSI { 4601} (( segid " " and resid 1857 and name HB3 )) (( segid " " and resid 1857 and name HA )) 3.200 1.300 1.300 peak 4601 spectrum 1 weight 0.10000E+01 volume 0.77959E-03 ppm1 1.870 ppm2 3.908 CV 1 ASSI { 4602} (( segid " " and resid 1857 and name HB2 )) (( segid " " and resid 1857 and name HA )) 3.700 1.800 1.800 peak 4602 spectrum 1 weight 0.10000E+01 volume 0.62366E-03 ppm1 2.044 ppm2 3.907 CV 1 ASSI { 4606} ( segid " " and resid 1857 and name HE% ) (( segid " " and resid 1900 and name HA )) 2.300 0.700 0.700 peak 4606 spectrum 1 weight 0.10000E+01 volume 0.84942E-02 ppm1 1.786 ppm2 3.857 CV 1 ASSI { 4607} ( segid " " and resid 1857 and name HE% ) (( segid " " and resid 1899 and name HA )) 3.700 3.700 2.300 peak 4607 spectrum 1 weight 0.10000E+01 volume 0.11664E-02 ppm1 1.793 ppm2 4.129 CV 1 ASSI { 4608} (( segid " " and resid 1857 and name HB2 )) (( segid " " and resid 1857 and name HG3 )) 3.200 1.200 1.200 peak 4608 spectrum 1 weight 0.10000E+01 volume 0.67763E-03 ppm1 2.046 ppm2 2.883 CV 1 ASSI { 4610} (( segid " " and resid 1857 and name HB3 )) (( segid " " and resid 1857 and name HG2 )) 3.300 1.300 1.300 peak 4610 spectrum 1 weight 0.10000E+01 volume 0.68362E-03 ppm1 1.867 ppm2 2.340 CV 1 ASSI { 4612} (( segid " " and resid 1857 and name HG2 )) (( segid " " and resid 1857 and name HG3 )) 2.400 0.700 0.700 peak 4612 spectrum 1 weight 0.10000E+01 volume 0.18800E-02 ppm1 2.354 ppm2 2.871 CV 1 ASSI { 4613} ( segid " " and resid 1857 and name HE% ) (( segid " " and resid 1857 and name HG3 )) 3.200 1.300 1.300 peak 4613 spectrum 1 weight 0.10000E+01 volume 0.30163E-02 ppm1 1.786 ppm2 2.880 CV 1 ASSI { 4614} ( segid " " and resid 1857 and name HE% ) (( segid " " and resid 1857 and name HG2 )) 2.600 0.800 0.800 peak 4614 spectrum 1 weight 0.10000E+01 volume 0.38080E-02 ppm1 1.784 ppm2 2.350 CV 1 ASSI { 4615} ( segid " " and resid 1857 and name HE% ) (( segid " " and resid 1857 and name HB2 )) 3.500 1.500 1.500 peak 4615 spectrum 1 weight 0.10000E+01 volume 0.30434E-02 ppm1 1.785 ppm2 2.042 CV 1 ASSI { 4616} (( segid " " and resid 1857 and name HG3 )) (( segid " " and resid 1899 and name HB2 )) 3.900 1.900 1.900 peak 4616 spectrum 1 weight 0.10000E+01 volume 0.44976E-03 ppm1 2.878 ppm2 2.174 CV 1 ASSI { 4617} (( segid " " and resid 1857 and name HG3 )) (( segid " " and resid 1857 and name HB3 )) 3.600 1.600 1.600 peak 4617 spectrum 1 weight 0.10000E+01 volume 0.93851E-03 ppm1 2.882 ppm2 1.867 CV 1 ASSI { 4619} (( segid " " and resid 1857 and name HB2 )) (( segid " " and resid 1857 and name HB3 )) 2.500 0.800 0.800 peak 4619 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 2.050 ppm2 1.867 CV 1 ASSI { 4621} (( segid " " and resid 1857 and name HB3 )) ( segid " " and resid 1857 and name HE% ) 2.900 1.100 1.100 peak 4621 spectrum 1 weight 0.10000E+01 volume 0.12233E-02 ppm1 1.872 ppm2 1.796 CV 1 ASSI { 4624} ( segid " " and resid 1857 and name HE% ) ( segid " " and resid 1900 and name HB% ) 2.200 0.600 0.600 peak 4624 spectrum 1 weight 0.10000E+01 volume 0.16854E-01 ppm1 1.786 ppm2 1.386 CV 1 ASSI { 4625} ( segid " " and resid 1857 and name HE% ) ( segid " " and resid 1903 and name HB% ) 2.900 1.000 1.000 peak 4625 spectrum 1 weight 0.10000E+01 volume 0.47674E-02 ppm1 1.784 ppm2 1.263 CV 1 ASSI { 4627} (( segid " " and resid 1857 and name HG3 )) ( segid " " and resid 1856 and name HG2%) 4.800 2.800 1.200 peak 4627 spectrum 1 weight 0.10000E+01 volume 0.25786E-03 ppm1 2.875 ppm2 1.138 CV 1 ASSI { 4628} ( segid " " and resid 1857 and name HE% ) ( segid " " and resid 1920 and name HG2%) 2.100 0.500 0.500 peak 4628 spectrum 1 weight 0.10000E+01 volume 0.13999E-01 ppm1 1.785 ppm2 0.966 CV 1 ASSI { 4629} ( segid " " and resid 1857 and name HE% ) ( segid " " and resid 1896 and name HD2%) 2.000 0.500 0.500 peak 4629 spectrum 1 weight 0.10000E+01 volume 0.18422E-01 ppm1 1.786 ppm2 0.897 CV 1 ASSI { 4630} ( segid " " and resid 1857 and name HE% ) ( segid " " and resid 1916 and name HG2%) 2.000 0.500 0.500 peak 4630 spectrum 1 weight 0.10000E+01 volume 0.15643E-01 ppm1 1.785 ppm2 0.778 CV 1 ASSI { 4631} (( segid " " and resid 1857 and name HG3 )) ( segid " " and resid 1858 and name HG1%) 5.300 3.500 0.700 peak 4631 spectrum 1 weight 0.10000E+01 volume 0.24887E-03 ppm1 2.881 ppm2 1.014 CV 1 ASSI { 4632} (( segid " " and resid 1857 and name HG3 )) ( segid " " and resid 1896 and name HD2%) 4.300 2.300 1.700 peak 4632 spectrum 1 weight 0.10000E+01 volume 0.89351E-03 ppm1 2.884 ppm2 0.897 CV 1 ASSI { 4633} (( segid " " and resid 1857 and name HG3 )) (( segid " " and resid 1968 and name HG )) 4.500 2.500 1.500 peak 4633 spectrum 1 weight 0.10000E+01 volume 0.41078E-03 ppm1 2.890 ppm2 0.788 CV 1 ASSI { 4635} (( segid " " and resid 1857 and name HB3 )) (( segid " " and resid 1968 and name HG )) 3.800 1.800 1.800 peak 4635 spectrum 1 weight 0.10000E+01 volume 0.63866E-03 ppm1 1.870 ppm2 0.793 CV 1 ASSI { 4638} (( segid " " and resid 1899 and name HB3 )) (( segid " " and resid 1900 and name H )) 3.900 1.900 1.900 peak 4638 spectrum 1 weight 0.10000E+01 volume 0.78255E-03 ppm1 2.072 ppm2 7.837 CV 1 ASSI { 4639} (( segid " " and resid 1899 and name HG3 )) (( segid " " and resid 1899 and name H )) 2.500 0.800 0.800 peak 4639 spectrum 1 weight 0.10000E+01 volume 0.32712E-02 ppm1 2.458 ppm2 7.621 CV 1 ASSI { 4640} (( segid " " and resid 1899 and name HG3 )) (( segid " " and resid 1899 and name H )) 2.700 0.900 0.900 peak 4640 spectrum 1 weight 0.10000E+01 volume 0.33672E-02 ppm1 2.434 ppm2 7.622 CV 1 OR { 4640} (( segid " " and resid 1899 and name HG2 )) (( segid " " and resid 1899 and name H )) ASSI { 4642} (( segid " " and resid 1899 and name HG2 )) (( segid " " and resid 1899 and name HE22)) 4.100 2.100 1.900 peak 4642 spectrum 1 weight 0.10000E+01 volume 0.70164E-03 ppm1 2.429 ppm2 6.294 CV 1 ASSI { 4643} (( segid " " and resid 1899 and name HG2 )) ( segid " " and resid 1856 and name HG2%) 3.400 1.400 1.400 peak 4643 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 2.433 ppm2 1.144 CV 1 OR { 4643} (( segid " " and resid 1899 and name HG3 )) ( segid " " and resid 1856 and name HG2%) ASSI { 4644} (( segid " " and resid 1921 and name HA )) (( segid " " and resid 1921 and name H )) 2.800 1.000 1.000 peak 4644 spectrum 1 weight 0.10000E+01 volume 0.20839E-02 ppm1 3.857 ppm2 9.021 CV 1 ASSI { 4645} (( segid " " and resid 1921 and name HB2 )) (( segid " " and resid 1921 and name H )) 2.800 0.900 0.900 peak 4645 spectrum 1 weight 0.10000E+01 volume 0.21199E-02 ppm1 2.571 ppm2 9.020 CV 1 ASSI { 4646} (( segid " " and resid 1921 and name HB2 )) (( segid " " and resid 1922 and name H )) 2.900 1.000 1.000 peak 4646 spectrum 1 weight 0.10000E+01 volume 0.12354E-02 ppm1 2.571 ppm2 8.449 CV 1 ASSI { 4647} (( segid " " and resid 1921 and name HG2 )) (( segid " " and resid 1922 and name H )) 4.500 2.500 1.500 peak 4647 spectrum 1 weight 0.10000E+01 volume 0.45276E-03 ppm1 2.747 ppm2 8.451 CV 1 ASSI { 4648} (( segid " " and resid 1921 and name HG2 )) (( segid " " and resid 1921 and name H )) 2.500 0.800 0.800 peak 4648 spectrum 1 weight 0.10000E+01 volume 0.21258E-02 ppm1 2.747 ppm2 9.021 CV 1 ASSI { 4650} (( segid " " and resid 1921 and name HA )) (( segid " " and resid 1923 and name H )) 4.300 2.300 1.700 peak 4650 spectrum 1 weight 0.10000E+01 volume 0.27585E-03 ppm1 3.859 ppm2 8.168 CV 1 ASSI { 4651} (( segid " " and resid 1921 and name HA )) (( segid " " and resid 1924 and name H )) 3.200 1.300 1.300 peak 4651 spectrum 1 weight 0.10000E+01 volume 0.95048E-03 ppm1 3.856 ppm2 7.859 CV 1 ASSI { 4652} (( segid " " and resid 1921 and name HB3 )) (( segid " " and resid 1921 and name H )) 3.800 1.800 1.800 peak 4652 spectrum 1 weight 0.10000E+01 volume 0.15082E-02 ppm1 2.128 ppm2 9.022 CV 1 ASSI { 4653} (( segid " " and resid 1921 and name HB3 )) (( segid " " and resid 1922 and name H )) 3.700 1.700 1.700 peak 4653 spectrum 1 weight 0.10000E+01 volume 0.12204E-02 ppm1 2.131 ppm2 8.445 CV 1 ASSI { 4654} (( segid " " and resid 1921 and name HG3 )) (( segid " " and resid 1922 and name H )) 4.900 3.000 1.100 peak 4654 spectrum 1 weight 0.10000E+01 volume 0.36580E-03 ppm1 2.134 ppm2 8.448 CV 1 ASSI { 4655} (( segid " " and resid 1921 and name HG3 )) (( segid " " and resid 1921 and name HE21)) 3.200 1.300 1.300 peak 4655 spectrum 1 weight 0.10000E+01 volume 0.27705E-02 ppm1 2.135 ppm2 7.273 CV 1 ASSI { 4656} (( segid " " and resid 1921 and name HG2 )) (( segid " " and resid 1921 and name HE21)) 2.500 0.800 0.800 peak 4656 spectrum 1 weight 0.10000E+01 volume 0.16191E-02 ppm1 2.747 ppm2 7.271 CV 1 ASSI { 4659} (( segid " " and resid 1921 and name HB3 )) (( segid " " and resid 1921 and name HE21)) 3.600 1.600 1.600 peak 4659 spectrum 1 weight 0.10000E+01 volume 0.53971E-03 ppm1 2.130 ppm2 7.269 CV 1 ASSI { 4660} (( segid " " and resid 1921 and name HB2 )) (( segid " " and resid 1921 and name HE21)) 4.600 2.600 1.400 peak 4660 spectrum 1 weight 0.10000E+01 volume 0.40478E-03 ppm1 2.567 ppm2 7.273 CV 1 ASSI { 4661} (( segid " " and resid 1921 and name HA )) ( segid " " and resid 1893 and name HE% ) 4.100 2.100 1.900 peak 4661 spectrum 1 weight 0.10000E+01 volume 0.50073E-03 ppm1 3.855 ppm2 6.642 CV 1 ASSI { 4662} (( segid " " and resid 1921 and name HG2 )) (( segid " " and resid 1921 and name HA )) 3.000 1.100 1.100 peak 4662 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 2.749 ppm2 3.854 CV 1 ASSI { 4663} (( segid " " and resid 1921 and name HG2 )) (( segid " " and resid 1835 and name HA )) 4.500 2.500 1.500 peak 4663 spectrum 1 weight 0.10000E+01 volume 0.72559E-03 ppm1 2.753 ppm2 3.596 CV 1 ASSI { 4664} (( segid " " and resid 1921 and name HB2 )) (( segid " " and resid 1922 and name HA )) 4.300 2.300 1.700 peak 4664 spectrum 1 weight 0.10000E+01 volume 0.27585E-03 ppm1 2.569 ppm2 4.085 CV 1 ASSI { 4666} (( segid " " and resid 1921 and name HB2 )) (( segid " " and resid 1835 and name HA )) 5.700 4.100 0.300 peak 4666 spectrum 1 weight 0.10000E+01 volume 0.30883E-03 ppm1 2.566 ppm2 3.600 CV 1 ASSI { 4669} (( segid " " and resid 1921 and name HB3 )) (( segid " " and resid 1918 and name HA )) 4.700 2.800 1.300 peak 4669 spectrum 1 weight 0.10000E+01 volume 0.62067E-03 ppm1 2.133 ppm2 4.595 CV 1 ASSI { 4670} (( segid " " and resid 1921 and name HA )) (( segid " " and resid 1918 and name HA )) 5.400 3.700 0.600 peak 4670 spectrum 1 weight 0.10000E+01 volume 0.23088E-03 ppm1 3.853 ppm2 4.593 CV 1 ASSI { 4671} (( segid " " and resid 1921 and name HG3 )) (( segid " " and resid 1835 and name HA )) 4.800 2.900 1.200 peak 4671 spectrum 1 weight 0.10000E+01 volume 0.84556E-03 ppm1 2.134 ppm2 3.594 CV 1 ASSI { 4672} (( segid " " and resid 1921 and name HA )) (( segid " " and resid 1835 and name HA )) 3.700 1.700 1.700 peak 4672 spectrum 1 weight 0.10000E+01 volume 0.10884E-02 ppm1 3.858 ppm2 3.594 CV 1 ASSI { 4675} (( segid " " and resid 1921 and name HG2 )) (( segid " " and resid 1921 and name HB2 )) 3.000 1.100 1.100 peak 4675 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 2.747 ppm2 2.566 CV 1 ASSI { 4676} (( segid " " and resid 1921 and name HG3 )) (( segid " " and resid 1921 and name HB2 )) 2.800 1.000 1.000 peak 4676 spectrum 1 weight 0.10000E+01 volume 0.15052E-02 ppm1 2.131 ppm2 2.569 CV 1 ASSI { 4677} (( segid " " and resid 1921 and name HG3 )) (( segid " " and resid 1921 and name HG2 )) 2.000 0.500 0.500 peak 4677 spectrum 1 weight 0.10000E+01 volume 0.66656E-02 ppm1 2.138 ppm2 2.743 CV 1 ASSI { 4679} (( segid " " and resid 1921 and name HA )) (( segid " " and resid 1921 and name HB2 )) 3.200 1.300 1.300 peak 4679 spectrum 1 weight 0.10000E+01 volume 0.18530E-02 ppm1 3.857 ppm2 2.568 CV 1 ASSI { 4681} (( segid " " and resid 1921 and name HB2 )) (( segid " " and resid 1921 and name HB3 )) 2.000 0.500 0.500 peak 4681 spectrum 1 weight 0.10000E+01 volume 0.73131E-02 ppm1 2.572 ppm2 2.131 CV 1 OR { 4681} (( segid " " and resid 1921 and name HB2 )) (( segid " " and resid 1921 and name HG3 )) ASSI { 4682} (( segid " " and resid 1921 and name HA )) (( segid " " and resid 1921 and name HB3 )) 2.500 0.800 0.800 peak 4682 spectrum 1 weight 0.10000E+01 volume 0.51032E-02 ppm1 3.858 ppm2 2.133 CV 1 OR { 4682} (( segid " " and resid 1921 and name HA )) (( segid " " and resid 1921 and name HG3 )) ASSI { 4685} (( segid " " and resid 1921 and name HB2 )) ( segid " " and resid 1838 and name HD1%) 4.500 2.500 1.500 peak 4685 spectrum 1 weight 0.10000E+01 volume 0.83057E-03 ppm1 2.567 ppm2 0.972 CV 1 ASSI { 4688} (( segid " " and resid 1921 and name HA )) ( segid " " and resid 1838 and name HD1%) 3.000 1.100 1.100 peak 4688 spectrum 1 weight 0.10000E+01 volume 0.40388E-02 ppm1 3.862 ppm2 0.972 CV 1 ASSI { 4689} (( segid " " and resid 1921 and name HA )) ( segid " " and resid 1835 and name HG2%) 2.800 1.000 1.000 peak 4689 spectrum 1 weight 0.10000E+01 volume 0.28125E-02 ppm1 3.858 ppm2 0.796 CV 1 ASSI { 4690} (( segid " " and resid 1921 and name HG2 )) (( segid " " and resid 1838 and name HB3 )) 4.000 2.000 2.000 peak 4690 spectrum 1 weight 0.10000E+01 volume 0.35381E-03 ppm1 2.751 ppm2 1.465 CV 1 ASSI { 4691} (( segid " " and resid 1938 and name HG2 )) (( segid " " and resid 1938 and name HE21)) 3.400 1.400 1.400 peak 4691 spectrum 1 weight 0.10000E+01 volume 0.11604E-02 ppm1 2.334 ppm2 6.683 CV 1 ASSI { 4692} (( segid " " and resid 1969 and name HB3 )) (( segid " " and resid 1969 and name HE21)) 5.700 4.000 0.300 peak 4692 spectrum 1 weight 0.10000E+01 volume 0.14992E-03 ppm1 2.200 ppm2 6.790 CV 1 ASSI { 4695} (( segid " " and resid 1811 and name HB3 )) (( segid " " and resid 1811 and name HA )) 3.000 1.100 1.100 peak 4695 spectrum 1 weight 0.10000E+01 volume 0.16371E-02 ppm1 2.494 ppm2 4.818 CV 1 ASSI { 4698} (( segid " " and resid 1811 and name HA )) (( segid " " and resid 1812 and name HD3 )) 2.400 0.700 0.700 peak 4698 spectrum 1 weight 0.10000E+01 volume 0.46625E-02 ppm1 4.823 ppm2 3.679 CV 1 ASSI { 4699} (( segid " " and resid 1811 and name HB3 )) (( segid " " and resid 1812 and name HD2 )) 4.700 2.800 1.300 peak 4699 spectrum 1 weight 0.10000E+01 volume 0.20989E-03 ppm1 2.486 ppm2 3.791 CV 1 ASSI { 4700} (( segid " " and resid 1811 and name HB3 )) (( segid " " and resid 1812 and name HD3 )) 5.600 3.900 0.400 peak 4700 spectrum 1 weight 0.10000E+01 volume 0.18290E-03 ppm1 2.485 ppm2 3.678 CV 1 ASSI { 4701} (( segid " " and resid 1811 and name HB2 )) (( segid " " and resid 1812 and name HD3 )) 4.600 2.700 1.400 peak 4701 spectrum 1 weight 0.10000E+01 volume 0.55770E-03 ppm1 2.711 ppm2 3.674 CV 1 ASSI { 4702} (( segid " " and resid 1811 and name HB3 )) (( segid " " and resid 1811 and name HB2 )) 2.100 0.500 0.500 peak 4702 spectrum 1 weight 0.10000E+01 volume 0.88901E-02 ppm1 2.479 ppm2 2.716 CV 1 ASSI { 4706} (( segid " " and resid 1972 and name HB2 )) (( segid " " and resid 1973 and name H )) 4.300 2.300 1.700 peak 4706 spectrum 1 weight 0.10000E+01 volume 0.67763E-03 ppm1 2.812 ppm2 7.846 CV 1 ASSI { 4707} (( segid " " and resid 1972 and name HB3 )) (( segid " " and resid 1973 and name H )) 3.900 1.900 1.900 peak 4707 spectrum 1 weight 0.10000E+01 volume 0.62366E-03 ppm1 2.732 ppm2 7.849 CV 1 ASSI { 4711} (( segid " " and resid 1928 and name HB3 )) (( segid " " and resid 1928 and name H )) 2.900 1.000 1.000 peak 4711 spectrum 1 weight 0.10000E+01 volume 0.33432E-02 ppm1 3.894 ppm2 8.486 CV 1 ASSI { 4712} (( segid " " and resid 1928 and name HB2 )) (( segid " " and resid 1928 and name H )) 2.600 2.600 3.400 peak 4712 spectrum 1 weight 0.10000E+01 volume 0.30074E-02 ppm1 3.847 ppm2 8.488 CV 1 ASSI { 4713} (( segid " " and resid 1928 and name HB2 )) (( segid " " and resid 1929 and name H )) 3.300 1.400 1.400 peak 4713 spectrum 1 weight 0.10000E+01 volume 0.15112E-02 ppm1 3.848 ppm2 7.263 CV 1 ASSI { 4714} (( segid " " and resid 1928 and name HB2 )) ( segid " " and resid 1929 and name HB% ) 4.500 2.500 1.500 peak 4714 spectrum 1 weight 0.10000E+01 volume 0.55170E-03 ppm1 3.849 ppm2 1.493 CV 1 ASSI { 4715} (( segid " " and resid 1928 and name HB3 )) ( segid " " and resid 1931 and name HG2%) 3.700 1.700 1.700 peak 4715 spectrum 1 weight 0.10000E+01 volume 0.16671E-02 ppm1 3.901 ppm2 0.935 CV 1 ASSI { 4716} (( segid " " and resid 1928 and name HB2 )) ( segid " " and resid 1931 and name HG2%) 3.900 1.900 1.900 peak 4716 spectrum 1 weight 0.10000E+01 volume 0.14272E-02 ppm1 3.848 ppm2 0.937 CV 1 ASSI { 4717} (( segid " " and resid 1928 and name HB3 )) ( segid " " and resid 1828 and name HG2%) 3.400 1.500 1.500 peak 4717 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 3.895 ppm2 0.848 CV 1 ASSI { 4718} (( segid " " and resid 1928 and name HB2 )) ( segid " " and resid 1828 and name HG2%) 3.600 1.600 1.600 peak 4718 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 3.845 ppm2 0.848 CV 1 ASSI { 4719} (( segid " " and resid 1928 and name HB3 )) ( segid " " and resid 1831 and name HG2%) 3.300 1.400 1.400 peak 4719 spectrum 1 weight 0.10000E+01 volume 0.28485E-02 ppm1 3.894 ppm2 0.608 CV 1 ASSI { 4720} (( segid " " and resid 1928 and name HB2 )) ( segid " " and resid 1831 and name HG2%) 2.600 0.800 0.800 peak 4720 spectrum 1 weight 0.10000E+01 volume 0.29684E-02 ppm1 3.847 ppm2 0.609 CV 1 ASSI { 4722} (( segid " " and resid 1928 and name HB3 )) ( segid " " and resid 1929 and name HB% ) 3.700 1.700 1.700 peak 4722 spectrum 1 weight 0.10000E+01 volume 0.11214E-02 ppm1 3.893 ppm2 1.494 CV 1 ASSI { 4723} (( segid " " and resid 1921 and name HA )) ( segid " " and resid 1835 and name HD1%) 4.100 2.100 1.900 peak 4723 spectrum 1 weight 0.10000E+01 volume 0.78557E-03 ppm1 3.855 ppm2 0.107 CV 1 ASSI { 4724} (( segid " " and resid 1928 and name HB3 )) ( segid " " and resid 1835 and name HD1%) 3.900 1.900 1.900 peak 4724 spectrum 1 weight 0.10000E+01 volume 0.54571E-03 ppm1 3.895 ppm2 0.103 CV 1 ASSI { 4725} (( segid " " and resid 1928 and name HB2 )) ( segid " " and resid 1835 and name HD1%) 3.600 1.700 1.700 peak 4725 spectrum 1 weight 0.10000E+01 volume 0.46175E-03 ppm1 3.848 ppm2 0.109 CV 1 ASSI { 4726} (( segid " " and resid 1928 and name HB3 )) (( segid " " and resid 1831 and name HB )) 4.100 2.100 1.900 peak 4726 spectrum 1 weight 0.10000E+01 volume 0.60268E-03 ppm1 3.893 ppm2 1.775 CV 1 ASSI { 4727} (( segid " " and resid 1928 and name HB2 )) (( segid " " and resid 1831 and name HB )) 3.900 1.900 1.900 peak 4727 spectrum 1 weight 0.10000E+01 volume 0.39879E-03 ppm1 3.845 ppm2 1.774 CV 1 ASSI { 4728} (( segid " " and resid 1928 and name HB2 )) (( segid " " and resid 1925 and name HA )) 3.400 3.400 2.600 peak 4728 spectrum 1 weight 0.10000E+01 volume 0.87852E-03 ppm1 3.848 ppm2 4.220 CV 1 ASSI { 4729} (( segid " " and resid 1919 and name HB2 )) (( segid " " and resid 1919 and name H )) 3.300 1.300 1.300 peak 4729 spectrum 1 weight 0.10000E+01 volume 0.63566E-03 ppm1 1.773 ppm2 8.616 CV 1 ASSI { 4730} (( segid " " and resid 1919 and name HB2 )) (( segid " " and resid 1964 and name HA )) 3.200 1.300 1.300 peak 4730 spectrum 1 weight 0.10000E+01 volume 0.84852E-03 ppm1 1.779 ppm2 3.477 CV 1 ASSI { 4733} (( segid " " and resid 1919 and name HB3 )) (( segid " " and resid 1916 and name HA )) 4.500 2.500 1.500 peak 4733 spectrum 1 weight 0.10000E+01 volume 0.60268E-03 ppm1 1.969 ppm2 3.355 CV 1 ASSI { 4734} (( segid " " and resid 1919 and name HB2 )) (( segid " " and resid 1919 and name HB3 )) 2.300 0.600 0.600 peak 4734 spectrum 1 weight 0.10000E+01 volume 0.21678E-02 ppm1 1.786 ppm2 1.971 CV 1 ASSI { 4736} (( segid " " and resid 1919 and name HB2 )) ( segid " " and resid 1967 and name HB% ) 3.600 1.600 1.600 peak 4736 spectrum 1 weight 0.10000E+01 volume 0.67763E-03 ppm1 1.782 ppm2 1.386 CV 1 ASSI { 4737} (( segid " " and resid 1919 and name HB3 )) (( segid " " and resid 1919 and name HG3 )) 3.100 1.200 1.200 peak 4737 spectrum 1 weight 0.10000E+01 volume 0.10614E-02 ppm1 1.965 ppm2 1.468 CV 1 ASSI { 4740} (( segid " " and resid 1962 and name HB3 )) (( segid " " and resid 1961 and name H )) 4.700 2.700 1.300 peak 4740 spectrum 1 weight 0.10000E+01 volume 0.38679E-03 ppm1 3.987 ppm2 8.883 CV 1 ASSI { 4742} (( segid " " and resid 1958 and name HA )) (( segid " " and resid 1959 and name H )) 3.400 1.400 1.400 peak 4742 spectrum 1 weight 0.10000E+01 volume 0.84852E-03 ppm1 3.910 ppm2 7.863 CV 1 ASSI { 4744} (( segid " " and resid 1958 and name HB3 )) (( segid " " and resid 1959 and name HG3 )) 3.300 1.400 1.400 peak 4744 spectrum 1 weight 0.10000E+01 volume 0.95949E-03 ppm1 3.995 ppm2 1.978 CV 1 ASSI { 4746} (( segid " " and resid 1958 and name HB2 )) (( segid " " and resid 1957 and name HB )) 4.200 2.200 1.800 peak 4746 spectrum 1 weight 0.10000E+01 volume 0.52172E-03 ppm1 3.922 ppm2 2.134 CV 1 ASSI { 4748} (( segid " " and resid 1958 and name HB2 )) ( segid " " and resid 1865 and name HB% ) 4.100 2.100 1.900 peak 4748 spectrum 1 weight 0.10000E+01 volume 0.49174E-03 ppm1 3.918 ppm2 1.565 CV 1 ASSI { 4749} (( segid " " and resid 1958 and name HB3 )) ( segid " " and resid 1865 and name HB% ) 4.100 2.100 1.900 peak 4749 spectrum 1 weight 0.10000E+01 volume 0.52172E-03 ppm1 3.988 ppm2 1.550 CV 1 ASSI { 4750} (( segid " " and resid 1958 and name HB2 )) ( segid " " and resid 1868 and name HG2%) 3.100 1.200 1.200 peak 4750 spectrum 1 weight 0.10000E+01 volume 0.14452E-02 ppm1 3.920 ppm2 0.918 CV 1 ASSI { 4751} (( segid " " and resid 1962 and name HB3 )) ( segid " " and resid 1965 and name HD1%) 4.200 2.200 1.800 peak 4751 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 3.993 ppm2 0.827 CV 1 ASSI { 4752} (( segid " " and resid 1949 and name HG2 )) (( segid " " and resid 1950 and name H )) 3.000 3.000 3.000 peak 4752 spectrum 1 weight 0.10000E+01 volume 0.80958E-03 ppm1 1.996 ppm2 8.399 CV 1 ASSI { 4754} (( segid " " and resid 1949 and name HG3 )) (( segid " " and resid 1950 and name H )) 4.300 2.300 1.700 peak 4754 spectrum 1 weight 0.10000E+01 volume 0.62366E-03 ppm1 2.310 ppm2 8.397 CV 1 ASSI { 4756} (( segid " " and resid 1949 and name HG2 )) (( segid " " and resid 1949 and name HA )) 2.500 2.500 3.500 peak 4756 spectrum 1 weight 0.10000E+01 volume 0.46925E-02 ppm1 1.998 ppm2 3.995 CV 1 ASSI { 4757} (( segid " " and resid 1949 and name HG2 )) (( segid " " and resid 1946 and name HA )) 4.000 2.000 2.000 peak 4757 spectrum 1 weight 0.10000E+01 volume 0.12413E-02 ppm1 1.996 ppm2 3.863 CV 1 ASSI { 4758} (( segid " " and resid 1949 and name HG3 )) (( segid " " and resid 1949 and name HA )) 3.100 1.200 1.200 peak 4758 spectrum 1 weight 0.10000E+01 volume 0.29234E-02 ppm1 2.316 ppm2 3.994 CV 1 ASSI { 4759} (( segid " " and resid 1949 and name HG3 )) (( segid " " and resid 1946 and name HA )) 3.000 1.100 1.100 peak 4759 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 2.309 ppm2 3.861 CV 1 ASSI { 4760} (( segid " " and resid 1949 and name HG2 )) (( segid " " and resid 1949 and name HG3 )) 1.800 0.400 0.400 peak 4760 spectrum 1 weight 0.10000E+01 volume 0.15348E-01 ppm1 1.996 ppm2 2.313 CV 1 ASSI { 4761} (( segid " " and resid 1949 and name HG2 )) (( segid " " and resid 1949 and name HB2 )) 2.900 1.000 1.000 peak 4761 spectrum 1 weight 0.10000E+01 volume 0.44826E-02 ppm1 1.998 ppm2 2.198 CV 1 ASSI { 4762} (( segid " " and resid 1949 and name HG2 )) (( segid " " and resid 1949 and name HB3 )) 2.400 0.700 0.700 peak 4762 spectrum 1 weight 0.10000E+01 volume 0.53761E-02 ppm1 1.997 ppm2 1.811 CV 1 ASSI { 4764} (( segid " " and resid 1949 and name HG3 )) (( segid " " and resid 1949 and name HB3 )) 2.900 1.100 1.100 peak 4764 spectrum 1 weight 0.10000E+01 volume 0.38499E-02 ppm1 2.314 ppm2 1.812 CV 1 ASSI { 4765} (( segid " " and resid 1827 and name HB2 )) (( segid " " and resid 1827 and name HG2 )) 3.100 1.200 1.200 peak 4765 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 2.201 ppm2 2.617 CV 1 OR { 4765} (( segid " " and resid 1827 and name HB2 )) (( segid " " and resid 1827 and name HG3 )) ASSI { 4766} (( segid " " and resid 1827 and name HB3 )) (( segid " " and resid 1827 and name HG3 )) 3.000 1.100 1.100 peak 4766 spectrum 1 weight 0.10000E+01 volume 0.19459E-02 ppm1 2.330 ppm2 2.616 CV 1 OR { 4766} (( segid " " and resid 1827 and name HB3 )) (( segid " " and resid 1827 and name HG2 )) ASSI { 4767} (( segid " " and resid 1827 and name HA )) (( segid " " and resid 1827 and name HG3 )) 3.000 1.100 1.100 peak 4767 spectrum 1 weight 0.10000E+01 volume 0.36640E-02 ppm1 4.182 ppm2 2.615 CV 1 OR { 4767} (( segid " " and resid 1827 and name HA )) (( segid " " and resid 1827 and name HG2 )) ASSI { 4768} (( segid " " and resid 1827 and name HA )) (( segid " " and resid 1827 and name HB2 )) 3.100 1.200 1.200 peak 4768 spectrum 1 weight 0.10000E+01 volume 0.16641E-02 ppm1 4.182 ppm2 2.195 CV 1 ASSI { 4771} ( segid " " and resid 1827 and name HE% ) (( segid " " and resid 1827 and name HB2 )) 2.900 1.100 1.100 peak 4771 spectrum 1 weight 0.10000E+01 volume 0.28604E-02 ppm1 2.009 ppm2 2.191 CV 1 ASSI { 4772} ( segid " " and resid 1827 and name HE% ) (( segid " " and resid 1827 and name HB3 )) 3.300 1.300 1.300 peak 4772 spectrum 1 weight 0.10000E+01 volume 0.19669E-02 ppm1 2.012 ppm2 2.328 CV 1 ASSI { 4773} ( segid " " and resid 1827 and name HE% ) (( segid " " and resid 1827 and name HG2 )) 2.200 0.600 0.600 peak 4773 spectrum 1 weight 0.10000E+01 volume 0.10896E-01 ppm1 2.012 ppm2 2.618 CV 1 ASSI { 4776} (( segid " " and resid 1827 and name HG2 )) ( segid " " and resid 1827 and name HE% ) 3.000 1.100 1.100 peak 4776 spectrum 1 weight 0.10000E+01 volume 0.20389E-02 ppm1 2.616 ppm2 2.010 CV 1 OR { 4776} (( segid " " and resid 1827 and name HG3 )) ( segid " " and resid 1827 and name HE% ) ASSI { 4777} (( segid " " and resid 1827 and name HB2 )) (( segid " " and resid 1827 and name HB3 )) 2.500 0.800 0.800 peak 4777 spectrum 1 weight 0.10000E+01 volume 0.19219E-02 ppm1 2.205 ppm2 2.316 CV 1 ASSI { 4779} (( segid " " and resid 1827 and name HG2 )) ( segid " " and resid 1824 and name HG2%) 3.700 1.800 1.800 peak 4779 spectrum 1 weight 0.10000E+01 volume 0.12503E-02 ppm1 2.618 ppm2 0.937 CV 1 OR { 4779} (( segid " " and resid 1827 and name HG3 )) ( segid " " and resid 1824 and name HG2%) ASSI { 4782} (( segid " " and resid 1827 and name HA )) ( segid " " and resid 1828 and name HG1%) 4.000 2.000 2.000 peak 4782 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 4.181 ppm2 0.935 CV 1 ASSI { 4783} (( segid " " and resid 1827 and name HA )) ( segid " " and resid 1890 and name HG2%) 2.800 1.000 1.000 peak 4783 spectrum 1 weight 0.10000E+01 volume 0.37599E-02 ppm1 4.183 ppm2 1.264 CV 1 ASSI { 4784} ( segid " " and resid 1827 and name HE% ) ( segid " " and resid 1824 and name HG2%) 2.000 0.500 0.500 peak 4784 spectrum 1 weight 0.10000E+01 volume 0.20791E-01 ppm1 2.010 ppm2 0.929 CV 1 ASSI { 4791} (( segid " " and resid 1827 and name HG3 )) (( segid " " and resid 1891 and name H )) 4.400 2.400 1.600 peak 4791 spectrum 1 weight 0.10000E+01 volume 0.47974E-03 ppm1 2.619 ppm2 8.128 CV 1 OR { 4791} (( segid " " and resid 1827 and name HG2 )) (( segid " " and resid 1891 and name H )) ASSI { 4792} (( segid " " and resid 1827 and name HB2 )) (( segid " " and resid 1828 and name H )) 3.900 1.900 1.900 peak 4792 spectrum 1 weight 0.10000E+01 volume 0.37780E-03 ppm1 2.215 ppm2 8.142 CV 1 ASSI { 4794} ( segid " " and resid 1827 and name HE% ) (( segid " " and resid 1827 and name H )) 3.200 1.300 1.300 peak 4794 spectrum 1 weight 0.10000E+01 volume 0.18530E-02 ppm1 2.008 ppm2 7.672 CV 1 ASSI { 4795} ( segid " " and resid 1827 and name HE% ) (( segid " " and resid 1887 and name H )) 2.900 1.000 1.000 peak 4795 spectrum 1 weight 0.10000E+01 volume 0.32772E-02 ppm1 2.009 ppm2 8.231 CV 1 ASSI { 4796} ( segid " " and resid 1827 and name HE% ) (( segid " " and resid 1827 and name HA )) 3.900 1.900 1.900 peak 4796 spectrum 1 weight 0.10000E+01 volume 0.15412E-02 ppm1 2.012 ppm2 4.165 CV 1 ASSI { 4797} ( segid " " and resid 1827 and name HE% ) (( segid " " and resid 1887 and name HA )) 2.500 0.800 0.800 peak 4797 spectrum 1 weight 0.10000E+01 volume 0.48604E-02 ppm1 2.009 ppm2 4.405 CV 1 ASSI { 4798} ( segid " " and resid 1827 and name HE% ) (( segid " " and resid 1887 and name HB2 )) 2.800 1.000 1.000 peak 4798 spectrum 1 weight 0.10000E+01 volume 0.49024E-02 ppm1 2.011 ppm2 2.758 CV 1 ASSI { 4801} (( segid " " and resid 1833 and name HG3 )) (( segid " " and resid 1833 and name HE22)) 4.400 2.500 1.600 peak 4801 spectrum 1 weight 0.10000E+01 volume 0.54271E-03 ppm1 2.378 ppm2 7.425 CV 1 ASSI { 4802} (( segid " " and resid 1833 and name HB2 )) (( segid " " and resid 1833 and name HE22)) 4.800 2.900 1.200 peak 4802 spectrum 1 weight 0.10000E+01 volume 0.29684E-03 ppm1 2.119 ppm2 7.418 CV 1 OR { 4802} (( segid " " and resid 1833 and name HB3 )) (( segid " " and resid 1833 and name HE22)) ASSI { 4803} (( segid " " and resid 1833 and name HG2 )) (( segid " " and resid 1833 and name HE21)) 3.500 1.500 1.500 peak 4803 spectrum 1 weight 0.10000E+01 volume 0.64468E-03 ppm1 2.471 ppm2 6.774 CV 1 ASSI { 4804} (( segid " " and resid 1833 and name HA )) (( segid " " and resid 1836 and name HD22)) 4.600 2.700 1.400 peak 4804 spectrum 1 weight 0.10000E+01 volume 0.50373E-03 ppm1 4.025 ppm2 6.791 CV 1 ASSI { 4805} (( segid " " and resid 1833 and name HB2 )) ( segid " " and resid 1832 and name HG2%) 4.300 2.300 1.700 peak 4805 spectrum 1 weight 0.10000E+01 volume 0.48874E-03 ppm1 2.113 ppm2 1.183 CV 1 ASSI { 4806} (( segid " " and resid 1951 and name HA )) (( segid " " and resid 1954 and name H )) 3.100 1.200 1.200 peak 4806 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 3.455 ppm2 8.968 CV 1 ASSI { 4807} (( segid " " and resid 1933 and name HG3 )) ( segid " " and resid 1946 and name HG2%) 3.500 1.500 1.500 peak 4807 spectrum 1 weight 0.10000E+01 volume 0.68362E-03 ppm1 1.449 ppm2 1.143 CV 1 ASSI { 4808} (( segid " " and resid 1933 and name HG3 )) (( segid " " and resid 1933 and name HG2 )) 1.800 0.400 0.400 peak 4808 spectrum 1 weight 0.10000E+01 volume 0.98227E-02 ppm1 1.451 ppm2 1.648 CV 1 OR { 4808} (( segid " " and resid 1933 and name HG3 )) (( segid " " and resid 1933 and name HD2 )) ASSI { 4810} (( segid " " and resid 1933 and name HG2 )) (( segid " " and resid 1933 and name HG3 )) 2.000 0.500 0.500 peak 4810 spectrum 1 weight 0.10000E+01 volume 0.49503E-02 ppm1 1.650 ppm2 1.451 CV 1 ASSI { 4811} (( segid " " and resid 1933 and name HG2 )) (( segid " " and resid 1933 and name HB2 )) 2.700 0.900 0.900 peak 4811 spectrum 1 weight 0.10000E+01 volume 0.19250E-02 ppm1 1.650 ppm2 2.007 CV 1 ASSI { 4812} (( segid " " and resid 1933 and name HG2 )) (( segid " " and resid 1949 and name HB3 )) 3.500 1.500 1.500 peak 4812 spectrum 1 weight 0.10000E+01 volume 0.72559E-03 ppm1 1.664 ppm2 1.821 CV 1 ASSI { 4814} (( segid " " and resid 1933 and name HB2 )) (( segid " " and resid 1933 and name HE3 )) 4.800 2.900 1.200 peak 4814 spectrum 1 weight 0.10000E+01 volume 0.37480E-03 ppm1 2.037 ppm2 2.847 CV 1 ASSI { 4816} (( segid " " and resid 1933 and name HG2 )) (( segid " " and resid 1933 and name HE3 )) 3.200 1.300 1.300 peak 4816 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 1.649 ppm2 2.854 CV 1 ASSI { 4817} (( segid " " and resid 1933 and name HG3 )) (( segid " " and resid 1953 and name HB2 )) 5.000 3.100 1.000 peak 4817 spectrum 1 weight 0.10000E+01 volume 0.36880E-03 ppm1 1.448 ppm2 3.085 CV 1 ASSI { 4819} (( segid " " and resid 1933 and name HG2 )) (( segid " " and resid 1950 and name HA )) 3.200 1.300 1.300 peak 4819 spectrum 1 weight 0.10000E+01 volume 0.57869E-03 ppm1 1.645 ppm2 3.685 CV 1 ASSI { 4820} (( segid " " and resid 1933 and name HG3 )) (( segid " " and resid 1933 and name HA )) 3.100 1.200 1.200 peak 4820 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 1.452 ppm2 4.104 CV 1 ASSI { 4822} (( segid " " and resid 1933 and name HG3 )) (( segid " " and resid 1949 and name H )) 3.900 1.900 1.900 peak 4822 spectrum 1 weight 0.10000E+01 volume 0.10015E-02 ppm1 1.449 ppm2 8.048 CV 1 ASSI { 4823} (( segid " " and resid 1925 and name HA )) ( segid " " and resid 1835 and name HG2%) 4.400 2.400 1.600 peak 4823 spectrum 1 weight 0.10000E+01 volume 0.38080E-03 ppm1 4.217 ppm2 0.796 CV 1 ASSI { 4824} (( segid " " and resid 1922 and name HG2 )) (( segid " " and resid 1921 and name H )) 4.700 2.700 1.300 peak 4824 spectrum 1 weight 0.10000E+01 volume 0.30284E-03 ppm1 2.432 ppm2 9.017 CV 1 ASSI { 4825} (( segid " " and resid 1922 and name HG2 )) (( segid " " and resid 1922 and name H )) 2.200 0.600 0.600 peak 4825 spectrum 1 weight 0.10000E+01 volume 0.30463E-02 ppm1 2.428 ppm2 8.448 CV 1 ASSI { 4826} (( segid " " and resid 1922 and name HG2 )) (( segid " " and resid 1923 and name H )) 4.500 2.500 1.500 peak 4826 spectrum 1 weight 0.10000E+01 volume 0.49174E-03 ppm1 2.426 ppm2 8.158 CV 1 ASSI { 4827} (( segid " " and resid 1922 and name HG2 )) (( segid " " and resid 1925 and name HD2 )) 4.500 2.500 1.500 peak 4827 spectrum 1 weight 0.10000E+01 volume 0.31183E-03 ppm1 2.429 ppm2 6.950 CV 1 ASSI { 4828} (( segid " " and resid 1922 and name HG2 )) (( segid " " and resid 1919 and name HD3 )) 4.700 2.800 1.300 peak 4828 spectrum 1 weight 0.10000E+01 volume 0.37180E-03 ppm1 2.430 ppm2 2.985 CV 1 ASSI { 4831} (( segid " " and resid 1922 and name HG2 )) (( segid " " and resid 1922 and name HG3 )) 1.700 0.400 0.500 peak 4831 spectrum 1 weight 0.10000E+01 volume 0.99579E-02 ppm1 2.428 ppm2 2.234 CV 1 ASSI { 4832} (( segid " " and resid 1922 and name HB3 )) (( segid " " and resid 1922 and name HG2 )) 3.100 1.200 1.200 peak 4832 spectrum 1 weight 0.10000E+01 volume 0.16011E-02 ppm1 2.298 ppm2 2.422 CV 1 ASSI { 4833} (( segid " " and resid 1922 and name HG2 )) (( segid " " and resid 1922 and name HB2 )) 2.800 1.000 1.000 peak 4833 spectrum 1 weight 0.10000E+01 volume 0.23027E-02 ppm1 2.428 ppm2 1.930 CV 1 ASSI { 4834} (( segid " " and resid 1922 and name HG2 )) (( segid " " and resid 1960 and name HD2 )) 5.600 3.900 0.400 peak 4834 spectrum 1 weight 0.10000E+01 volume 0.17691E-03 ppm1 2.423 ppm2 1.725 CV 1 ASSI { 4836} (( segid " " and resid 1922 and name HB3 )) (( segid " " and resid 1960 and name HD2 )) 2.800 1.000 1.000 peak 4836 spectrum 1 weight 0.10000E+01 volume 0.63566E-03 ppm1 2.300 ppm2 1.741 CV 1 ASSI { 4840} (( segid " " and resid 1895 and name HA )) (( segid " " and resid 1899 and name H )) 3.900 1.900 1.900 peak 4840 spectrum 1 weight 0.10000E+01 volume 0.46775E-03 ppm1 4.018 ppm2 7.610 CV 1 ASSI { 4841} (( segid " " and resid 1956 and name HG3 )) (( segid " " and resid 1956 and name H )) 2.500 0.800 0.800 peak 4841 spectrum 1 weight 0.10000E+01 volume 0.28305E-02 ppm1 1.872 ppm2 7.720 CV 1 ASSI { 4843} (( segid " " and resid 1956 and name HG2 )) (( segid " " and resid 1957 and name H )) 4.800 2.900 1.200 peak 4843 spectrum 1 weight 0.10000E+01 volume 0.34182E-03 ppm1 1.618 ppm2 8.293 CV 1 ASSI { 4845} (( segid " " and resid 1956 and name HG3 )) (( segid " " and resid 1956 and name HD3 )) 2.800 1.000 1.000 peak 4845 spectrum 1 weight 0.10000E+01 volume 0.21168E-02 ppm1 1.873 ppm2 3.167 CV 1 ASSI { 4847} (( segid " " and resid 1956 and name HG3 )) (( segid " " and resid 1956 and name HB2 )) 2.300 0.600 0.600 peak 4847 spectrum 1 weight 0.10000E+01 volume 0.60897E-02 ppm1 1.872 ppm2 2.048 CV 1 ASSI { 4849} (( segid " " and resid 1895 and name HG2 )) (( segid " " and resid 1895 and name HA )) 2.900 1.100 1.100 peak 4849 spectrum 1 weight 0.10000E+01 volume 0.18290E-02 ppm1 1.775 ppm2 4.019 CV 1 ASSI { 4852} (( segid " " and resid 1895 and name HG2 )) (( segid " " and resid 1895 and name HB3 )) 2.400 0.700 0.700 peak 4852 spectrum 1 weight 0.10000E+01 volume 0.40808E-02 ppm1 1.769 ppm2 1.974 CV 1 ASSI { 4853} (( segid " " and resid 1895 and name HG2 )) (( segid " " and resid 1895 and name HB2 )) 2.700 0.900 0.900 peak 4853 spectrum 1 weight 0.10000E+01 volume 0.60387E-02 ppm1 1.771 ppm2 1.872 CV 1 ASSI { 4857} (( segid " " and resid 1895 and name HG2 )) (( segid " " and resid 1896 and name H )) 4.400 2.400 1.600 peak 4857 spectrum 1 weight 0.10000E+01 volume 0.66264E-03 ppm1 1.769 ppm2 8.095 CV 1 ASSI { 4858} (( segid " " and resid 1895 and name HD2 )) (( segid " " and resid 1895 and name HG2 )) 2.200 0.600 0.600 peak 4858 spectrum 1 weight 0.10000E+01 volume 0.98137E-02 ppm1 3.178 ppm2 1.767 CV 1 OR { 4858} (( segid " " and resid 1895 and name HD3 )) (( segid " " and resid 1895 and name HG2 )) ASSI { 4859} (( segid " " and resid 1895 and name HD3 )) (( segid " " and resid 1895 and name HG3 )) 2.100 0.600 0.600 peak 4859 spectrum 1 weight 0.10000E+01 volume 0.11355E-01 ppm1 3.173 ppm2 1.555 CV 1 OR { 4859} (( segid " " and resid 1895 and name HD2 )) (( segid " " and resid 1895 and name HG3 )) ASSI { 4860} (( segid " " and resid 1911 and name HG3 )) (( segid " " and resid 1911 and name H )) 2.900 1.000 1.000 peak 4860 spectrum 1 weight 0.10000E+01 volume 0.24167E-02 ppm1 2.185 ppm2 8.246 CV 1 ASSI { 4861} (( segid " " and resid 1911 and name HG2 )) (( segid " " and resid 1911 and name H )) 3.200 1.300 1.300 peak 4861 spectrum 1 weight 0.10000E+01 volume 0.22128E-02 ppm1 2.102 ppm2 8.247 CV 1 ASSI { 4862} (( segid " " and resid 1911 and name HG3 )) (( segid " " and resid 1912 and name H )) 4.100 2.100 1.900 peak 4862 spectrum 1 weight 0.10000E+01 volume 0.89049E-03 ppm1 2.188 ppm2 7.949 CV 1 ASSI { 4863} (( segid " " and resid 1911 and name HG3 )) (( segid " " and resid 1911 and name HA )) 2.800 1.000 1.000 peak 4863 spectrum 1 weight 0.10000E+01 volume 0.36640E-02 ppm1 2.184 ppm2 4.005 CV 1 ASSI { 4864} (( segid " " and resid 1911 and name HG2 )) (( segid " " and resid 1911 and name HA )) 2.800 1.000 1.000 peak 4864 spectrum 1 weight 0.10000E+01 volume 0.32352E-02 ppm1 2.101 ppm2 4.004 CV 1 ASSI { 4865} (( segid " " and resid 1911 and name HA )) ( segid " " and resid 1914 and name HB% ) 2.500 0.800 0.800 peak 4865 spectrum 1 weight 0.10000E+01 volume 0.49623E-02 ppm1 4.007 ppm2 1.408 CV 1 ASSI { 4867} (( segid " " and resid 1911 and name HG2 )) ( segid " " and resid 1914 and name HB% ) 4.300 2.300 1.700 peak 4867 spectrum 1 weight 0.10000E+01 volume 0.64764E-03 ppm1 2.112 ppm2 1.407 CV 1 ASSI { 4868} (( segid " " and resid 1915 and name HB2 )) (( segid " " and resid 1911 and name HB3 )) 3.100 1.200 1.200 peak 4868 spectrum 1 weight 0.10000E+01 volume 0.88450E-03 ppm1 3.350 ppm2 2.028 CV 1 ASSI { 4869} (( segid " " and resid 1918 and name HA )) (( segid " " and resid 1917 and name HA )) 3.800 1.800 1.800 peak 4869 spectrum 1 weight 0.10000E+01 volume 0.57269E-03 ppm1 4.614 ppm2 3.602 CV 1 ASSI { 4872} (( segid " " and resid 1919 and name HB2 )) (( segid " " and resid 1919 and name HD3 )) 4.300 2.300 1.700 peak 4872 spectrum 1 weight 0.10000E+01 volume 0.49773E-03 ppm1 1.774 ppm2 2.990 CV 1 ASSI { 4875} (( segid " " and resid 1919 and name HG3 )) (( segid " " and resid 1919 and name HB2 )) 2.900 1.000 1.000 peak 4875 spectrum 1 weight 0.10000E+01 volume 0.12443E-02 ppm1 1.472 ppm2 1.779 CV 1 ASSI { 4876} (( segid " " and resid 1919 and name HG3 )) (( segid " " and resid 1919 and name HG2 )) 2.200 0.600 0.600 peak 4876 spectrum 1 weight 0.10000E+01 volume 0.32622E-02 ppm1 1.474 ppm2 2.009 CV 1 ASSI { 4877} (( segid " " and resid 1919 and name HG3 )) ( segid " " and resid 1964 and name HG2%) 4.600 2.600 1.400 peak 4877 spectrum 1 weight 0.10000E+01 volume 0.50073E-03 ppm1 1.474 ppm2 1.012 CV 1 ASSI { 4878} (( segid " " and resid 1919 and name HD2 )) ( segid " " and resid 1964 and name HG2%) 4.600 2.700 1.400 peak 4878 spectrum 1 weight 0.10000E+01 volume 0.51872E-03 ppm1 3.059 ppm2 1.014 CV 1 ASSI { 4880} (( segid " " and resid 1919 and name HD2 )) (( segid " " and resid 1919 and name HG3 )) 2.700 0.900 0.900 peak 4880 spectrum 1 weight 0.10000E+01 volume 0.13493E-02 ppm1 3.058 ppm2 1.469 CV 1 ASSI { 4881} (( segid " " and resid 1919 and name HD3 )) (( segid " " and resid 1919 and name HG3 )) 3.200 1.300 1.300 peak 4881 spectrum 1 weight 0.10000E+01 volume 0.13223E-02 ppm1 2.991 ppm2 1.470 CV 1 ASSI { 4882} (( segid " " and resid 1919 and name HD3 )) ( segid " " and resid 1967 and name HB% ) 4.400 2.400 1.600 peak 4882 spectrum 1 weight 0.10000E+01 volume 0.85451E-03 ppm1 2.988 ppm2 1.393 CV 1 ASSI { 4883} (( segid " " and resid 1919 and name HD2 )) ( segid " " and resid 1967 and name HB% ) 4.200 2.200 1.800 peak 4883 spectrum 1 weight 0.10000E+01 volume 0.76459E-03 ppm1 3.060 ppm2 1.392 CV 1 ASSI { 4884} (( segid " " and resid 1919 and name HD2 )) (( segid " " and resid 1919 and name HB2 )) 4.500 2.500 1.500 peak 4884 spectrum 1 weight 0.10000E+01 volume 0.48574E-03 ppm1 3.056 ppm2 1.785 CV 1 ASSI { 4886} (( segid " " and resid 1919 and name HD2 )) (( segid " " and resid 1919 and name HG2 )) 3.100 1.200 1.200 peak 4886 spectrum 1 weight 0.10000E+01 volume 0.14542E-02 ppm1 3.058 ppm2 2.016 CV 1 ASSI { 4887} (( segid " " and resid 1919 and name HD3 )) (( segid " " and resid 1919 and name HG2 )) 2.900 1.000 1.000 peak 4887 spectrum 1 weight 0.10000E+01 volume 0.15292E-02 ppm1 2.990 ppm2 2.007 CV 1 ASSI { 4888} (( segid " " and resid 1919 and name HD2 )) (( segid " " and resid 1963 and name HA )) 4.300 2.300 1.700 peak 4888 spectrum 1 weight 0.10000E+01 volume 0.71059E-03 ppm1 3.055 ppm2 4.681 CV 1 ASSI { 4889} (( segid " " and resid 1919 and name HD3 )) (( segid " " and resid 1963 and name HA )) 4.500 2.500 1.500 peak 4889 spectrum 1 weight 0.10000E+01 volume 0.94752E-03 ppm1 2.995 ppm2 4.682 CV 1 ASSI { 4890} (( segid " " and resid 1919 and name HG3 )) (( segid " " and resid 1963 and name HA )) 4.200 2.200 1.800 peak 4890 spectrum 1 weight 0.10000E+01 volume 0.37180E-03 ppm1 1.462 ppm2 4.681 CV 1 ASSI { 4891} (( segid " " and resid 1919 and name HD2 )) (( segid " " and resid 1919 and name H )) 4.700 2.800 1.300 peak 4891 spectrum 1 weight 0.10000E+01 volume 0.57569E-03 ppm1 3.049 ppm2 8.624 CV 1 ASSI { 4892} (( segid " " and resid 1919 and name HD3 )) (( segid " " and resid 1919 and name H )) 4.200 2.200 1.800 peak 4892 spectrum 1 weight 0.10000E+01 volume 0.55170E-03 ppm1 2.991 ppm2 8.618 CV 1 ASSI { 4893} (( segid " " and resid 1919 and name HG3 )) (( segid " " and resid 1919 and name H )) 4.400 2.400 1.600 peak 4893 spectrum 1 weight 0.10000E+01 volume 0.83353E-03 ppm1 1.474 ppm2 8.619 CV 1 ASSI { 4894} (( segid " " and resid 1919 and name HG2 )) (( segid " " and resid 1919 and name H )) 2.900 1.000 1.000 peak 4894 spectrum 1 weight 0.10000E+01 volume 0.10884E-02 ppm1 2.014 ppm2 8.620 CV 1 ASSI { 4895} (( segid " " and resid 1919 and name HG2 )) (( segid " " and resid 1919 and name HA )) 3.400 1.400 1.400 peak 4895 spectrum 1 weight 0.10000E+01 volume 0.64468E-03 ppm1 2.018 ppm2 4.122 CV 1 ASSI { 4896} (( segid " " and resid 1919 and name HG2 )) (( segid " " and resid 1964 and name HA )) 4.700 2.800 1.300 peak 4896 spectrum 1 weight 0.10000E+01 volume 0.48574E-03 ppm1 2.024 ppm2 3.480 CV 1 ASSI { 4899} (( segid " " and resid 1919 and name HG2 )) (( segid " " and resid 1919 and name HB2 )) 3.100 1.200 1.200 peak 4899 spectrum 1 weight 0.10000E+01 volume 0.94449E-03 ppm1 2.018 ppm2 1.774 CV 1 ASSI { 4900} (( segid " " and resid 1919 and name HG2 )) ( segid " " and resid 1964 and name HG2%) 5.300 3.500 0.700 peak 4900 spectrum 1 weight 0.10000E+01 volume 0.41678E-03 ppm1 2.018 ppm2 1.020 CV 1 ASSI { 4901} (( segid " " and resid 1922 and name HB3 )) (( segid " " and resid 1922 and name HA )) 2.800 1.000 1.000 peak 4901 spectrum 1 weight 0.10000E+01 volume 0.16881E-02 ppm1 2.296 ppm2 4.093 CV 1 ASSI { 4902} (( segid " " and resid 1922 and name HA )) (( segid " " and resid 1925 and name HD2 )) 2.800 1.000 1.000 peak 4902 spectrum 1 weight 0.10000E+01 volume 0.28814E-02 ppm1 4.086 ppm2 6.948 CV 1 ASSI { 4906} (( segid " " and resid 1939 and name HB2 )) ( segid " " and resid 1936 and name HB% ) 4.200 2.200 1.800 peak 4906 spectrum 1 weight 0.10000E+01 volume 0.63566E-03 ppm1 2.999 ppm2 1.507 CV 1 ASSI { 4908} (( segid " " and resid 1968 and name HB2 )) (( segid " " and resid 1965 and name HA )) 3.100 1.200 1.200 peak 4908 spectrum 1 weight 0.10000E+01 volume 0.90549E-03 ppm1 2.017 ppm2 3.893 CV 1 ASSI { 4909} (( segid " " and resid 1838 and name HB2 )) (( segid " " and resid 1837 and name H )) 4.900 3.000 1.100 peak 4909 spectrum 1 weight 0.10000E+01 volume 0.24587E-03 ppm1 2.002 ppm2 8.226 CV 1 ASSI { 4910} ( segid " " and resid 1920 and name HG1%) (( segid " " and resid 1924 and name H )) 3.200 1.300 1.300 peak 4910 spectrum 1 weight 0.10000E+01 volume 0.15112E-02 ppm1 0.810 ppm2 7.856 CV 1 ASSI { 4912} (( segid " " and resid 1838 and name HB2 )) (( segid " " and resid 1921 and name HE22)) 2.700 0.900 0.900 peak 4912 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 1.990 ppm2 7.300 CV 1 ASSI { 4913} (( segid " " and resid 1968 and name HG )) (( segid " " and resid 1968 and name H )) 3.600 1.600 1.600 peak 4913 spectrum 1 weight 0.10000E+01 volume 0.21408E-02 ppm1 0.787 ppm2 7.888 CV 1 ASSI { 4916} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1947 and name HG2 )) 3.100 1.200 1.200 peak 4916 spectrum 1 weight 0.10000E+01 volume 0.22338E-02 ppm1 3.785 ppm2 1.369 CV 1 ASSI { 4918} (( segid " " and resid 1927 and name HB3 )) ( segid " " and resid 1923 and name HD2%) 4.000 2.000 2.000 peak 4918 spectrum 1 weight 0.10000E+01 volume 0.87556E-03 ppm1 2.239 ppm2 0.995 CV 1 ASSI { 4919} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1888 and name H )) 3.200 1.300 1.300 peak 4919 spectrum 1 weight 0.10000E+01 volume 0.13853E-02 ppm1 4.415 ppm2 7.993 CV 1 ASSI { 1} (( segid " " and resid 1971 and name H )) (( segid " " and resid 1970 and name H )) 3.100 1.200 1.200 peak 1 spectrum 1 weight 0.10000E+01 volume 0.14674E-02 ppm1 8.188 ppm2 7.643 CV 1 ASSI { 2} (( segid " " and resid 1881 and name H )) (( segid " " and resid 1882 and name H )) 2.400 0.700 0.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.43294E-02 ppm1 8.070 ppm2 7.827 CV 1 ASSI { 3} (( segid " " and resid 1971 and name H )) (( segid " " and resid 1972 and name H )) 4.200 2.200 1.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.35775E-03 ppm1 8.185 ppm2 8.084 CV 1 ASSI { 5} (( segid " " and resid 1973 and name H )) (( segid " " and resid 1972 and name HA )) 2.400 0.700 0.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.63163E-02 ppm1 7.845 ppm2 4.683 CV 1 ASSI { 6} (( segid " " and resid 1973 and name H )) (( segid " " and resid 1973 and name HA )) 2.600 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.45861E-02 ppm1 7.845 ppm2 4.131 CV 1 ASSI { 8} (( segid " " and resid 1972 and name H )) (( segid " " and resid 1972 and name HB3 )) 3.600 1.600 1.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.97017E-03 ppm1 8.091 ppm2 2.735 CV 1 ASSI { 9} (( segid " " and resid 1972 and name H )) (( segid " " and resid 1971 and name HA3 )) 3.700 1.700 1.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.66296E-03 ppm1 8.088 ppm2 3.717 CV 1 ASSI { 10} (( segid " " and resid 1973 and name H )) (( segid " " and resid 1973 and name HB2 )) 3.300 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11036E-02 ppm1 7.845 ppm2 1.804 CV 1 ASSI { 11} (( segid " " and resid 1973 and name H )) (( segid " " and resid 1973 and name HB3 )) 3.000 1.200 1.200 peak 11 spectrum 1 weight 0.10000E+01 volume 0.29328E-02 ppm1 7.845 ppm2 1.674 CV 1 ASSI { 12} (( segid " " and resid 1973 and name H )) (( segid " " and resid 1973 and name HG3 )) 3.000 1.100 1.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.24578E-02 ppm1 7.845 ppm2 1.543 CV 1 OR { 12} (( segid " " and resid 1973 and name H )) (( segid " " and resid 1973 and name HG2 )) ASSI { 13} (( segid " " and resid 1949 and name H )) (( segid " " and resid 1949 and name HG3 )) 2.300 0.600 0.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.63244E-02 ppm1 8.070 ppm2 2.311 CV 1 ASSI { 15} (( segid " " and resid 1881 and name H )) (( segid " " and resid 1881 and name HB3 )) 3.100 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.51500E-02 ppm1 8.069 ppm2 1.879 CV 1 ASSI { 17} (( segid " " and resid 1971 and name H )) ( segid " " and resid 1970 and name HB% ) 3.100 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.19181E-02 ppm1 8.188 ppm2 1.422 CV 1 ASSI { 18} (( segid " " and resid 1971 and name H )) ( segid " " and resid 1912 and name HG2%) 4.100 2.100 1.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.41031E-03 ppm1 8.187 ppm2 0.830 CV 1 ASSI { 19} (( segid " " and resid 1971 and name H )) ( segid " " and resid 1912 and name HD1%) 4.200 2.200 1.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.37190E-03 ppm1 8.187 ppm2 0.758 CV 1 ASSI { 20} (( segid " " and resid 1971 and name H )) (( segid " " and resid 1970 and name HA )) 3.000 1.100 1.100 peak 20 spectrum 1 weight 0.10000E+01 volume 0.26235E-02 ppm1 8.189 ppm2 4.241 CV 1 ASSI { 21} (( segid " " and resid 1971 and name H )) (( segid " " and resid 1971 and name HA2 )) 3.000 1.100 1.100 peak 21 spectrum 1 weight 0.10000E+01 volume 0.29874E-02 ppm1 8.188 ppm2 3.918 CV 1 ASSI { 23} (( segid " " and resid 1971 and name H )) (( segid " " and resid 1969 and name H )) 4.900 3.000 1.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.16372E-03 ppm1 8.183 ppm2 7.783 CV 1 ASSI { 24} (( segid " " and resid 1970 and name H )) (( segid " " and resid 1969 and name H )) 2.400 0.700 0.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.48873E-02 ppm1 7.642 ppm2 7.782 CV 1 ASSI { 29} (( segid " " and resid 1969 and name H )) (( segid " " and resid 1969 and name HA )) 2.200 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.98794E-02 ppm1 7.779 ppm2 4.178 CV 1 ASSI { 33} (( segid " " and resid 1969 and name H )) (( segid " " and resid 1969 and name HB3 )) 3.500 1.500 1.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.28903E-02 ppm1 7.779 ppm2 2.195 CV 1 ASSI { 34} (( segid " " and resid 1969 and name H )) (( segid " " and resid 1969 and name HB2 )) 2.400 0.700 0.700 peak 34 spectrum 1 weight 0.10000E+01 volume 0.43294E-02 ppm1 7.779 ppm2 2.111 CV 1 ASSI { 35} (( segid " " and resid 1969 and name H )) (( segid " " and resid 1968 and name HB2 )) 2.700 0.900 0.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.17464E-02 ppm1 7.779 ppm2 2.016 CV 1 ASSI { 36} (( segid " " and resid 1970 and name H )) (( segid " " and resid 1969 and name HB3 )) 3.600 1.600 1.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.12006E-02 ppm1 7.642 ppm2 2.195 CV 1 ASSI { 37} (( segid " " and resid 1970 and name H )) (( segid " " and resid 1969 and name HB2 )) 3.100 1.200 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.13784E-02 ppm1 7.642 ppm2 2.112 CV 1 ASSI { 38} (( segid " " and resid 1970 and name H )) (( segid " " and resid 1968 and name HB2 )) 4.200 2.200 1.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.56796E-03 ppm1 7.642 ppm2 2.011 CV 1 ASSI { 39} (( segid " " and resid 1970 and name H )) (( segid " " and resid 1969 and name HG3 )) 3.600 1.600 1.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.29712E-03 ppm1 7.645 ppm2 2.310 CV 1 ASSI { 40} (( segid " " and resid 1970 and name H )) (( segid " " and resid 1969 and name HG2 )) 3.800 1.800 1.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.22031E-03 ppm1 7.643 ppm2 2.415 CV 1 ASSI { 41} (( segid " " and resid 1969 and name H )) ( segid " " and resid 1966 and name HB% ) 4.600 2.700 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.37796E-03 ppm1 7.778 ppm2 1.522 CV 1 ASSI { 42} (( segid " " and resid 1969 and name H )) (( segid " " and resid 1968 and name HB3 )) 2.900 1.100 1.100 peak 42 spectrum 1 weight 0.10000E+01 volume 0.20899E-02 ppm1 7.778 ppm2 1.410 CV 1 ASSI { 44} (( segid " " and resid 1969 and name H )) ( segid " " and resid 1858 and name HG1%) 4.800 2.800 1.200 peak 44 spectrum 1 weight 0.10000E+01 volume 0.32946E-03 ppm1 7.775 ppm2 1.014 CV 1 ASSI { 45} (( segid " " and resid 1969 and name H )) ( segid " " and resid 1968 and name HD2%) 4.200 2.200 1.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.79027E-03 ppm1 7.779 ppm2 0.921 CV 1 ASSI { 46} (( segid " " and resid 1969 and name H )) (( segid " " and resid 1968 and name HG )) 4.400 2.400 1.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.82670E-03 ppm1 7.779 ppm2 0.793 CV 1 ASSI { 47} (( segid " " and resid 1970 and name H )) ( segid " " and resid 1968 and name HD2%) 3.300 1.400 1.400 peak 47 spectrum 1 weight 0.10000E+01 volume 0.48509E-03 ppm1 7.643 ppm2 0.927 CV 1 OR { 47} (( segid " " and resid 1970 and name H )) ( segid " " and resid 1968 and name HD1%) ASSI { 48} (( segid " " and resid 1970 and name H )) ( segid " " and resid 1912 and name HG2%) 4.100 2.100 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.56189E-03 ppm1 7.642 ppm2 0.830 CV 1 ASSI { 49} (( segid " " and resid 1968 and name H )) (( segid " " and resid 1966 and name H )) 4.400 2.400 1.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.33956E-03 ppm1 7.884 ppm2 8.054 CV 1 ASSI { 52} (( segid " " and resid 1968 and name H )) (( segid " " and resid 1969 and name H )) 2.400 0.700 0.700 peak 52 spectrum 1 weight 0.10000E+01 volume 0.52066E-02 ppm1 7.881 ppm2 7.790 CV 1 ASSI { 53} (( segid " " and resid 1968 and name H )) (( segid " " and resid 1970 and name H )) 4.100 2.100 1.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.32744E-03 ppm1 7.881 ppm2 7.644 CV 1 ASSI { 55} (( segid " " and resid 1968 and name H )) (( segid " " and resid 1968 and name HA )) 2.500 0.800 0.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.37938E-02 ppm1 7.882 ppm2 4.170 CV 1 ASSI { 58} (( segid " " and resid 1967 and name H )) (( segid " " and resid 1916 and name HA )) 6.000 4.500 0.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.17585E-03 ppm1 7.806 ppm2 3.350 CV 1 ASSI { 60} (( segid " " and resid 1968 and name H )) (( segid " " and resid 1968 and name HB2 )) 2.400 0.700 0.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.31814E-02 ppm1 7.882 ppm2 2.013 CV 1 ASSI { 61} (( segid " " and resid 1967 and name H )) ( segid " " and resid 1966 and name HB% ) 2.800 1.000 1.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.39737E-02 ppm1 7.806 ppm2 1.522 CV 1 ASSI { 62} (( segid " " and resid 1967 and name H )) ( segid " " and resid 1967 and name HB% ) 2.300 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.70196E-02 ppm1 7.805 ppm2 1.388 CV 1 ASSI { 63} (( segid " " and resid 1968 and name H )) ( segid " " and resid 1967 and name HB% ) 2.500 0.800 0.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.45174E-02 ppm1 7.882 ppm2 1.398 CV 1 ASSI { 64} (( segid " " and resid 1967 and name H )) ( segid " " and resid 1964 and name HG2%) 3.400 3.400 2.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.39615E-03 ppm1 7.806 ppm2 1.006 CV 1 ASSI { 65} (( segid " " and resid 1967 and name H )) ( segid " " and resid 1968 and name HD2%) 4.700 2.800 1.300 peak 65 spectrum 1 weight 0.10000E+01 volume 0.28297E-03 ppm1 7.806 ppm2 0.927 CV 1 OR { 65} (( segid " " and resid 1967 and name H )) ( segid " " and resid 1968 and name HD1%) ASSI { 66} (( segid " " and resid 1968 and name H )) ( segid " " and resid 1916 and name HD1%) 4.100 2.100 1.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.76807E-03 ppm1 7.883 ppm2 0.994 CV 1 ASSI { 67} (( segid " " and resid 1968 and name H )) ( segid " " and resid 1968 and name HD2%) 2.900 1.100 1.100 peak 67 spectrum 1 weight 0.10000E+01 volume 0.20657E-02 ppm1 7.882 ppm2 0.921 CV 1 ASSI { 69} (( segid " " and resid 1968 and name H )) (( segid " " and resid 1916 and name HG12)) 4.600 2.600 1.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.22233E-03 ppm1 7.888 ppm2 0.688 CV 1 OR { 69} (( segid " " and resid 1968 and name H )) (( segid " " and resid 1916 and name HG13)) ASSI { 70} (( segid " " and resid 1955 and name H )) (( segid " " and resid 1954 and name H )) 2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.31551E-02 ppm1 8.081 ppm2 8.962 CV 1 ASSI { 71} (( segid " " and resid 1953 and name H )) (( segid " " and resid 1954 and name H )) 2.700 0.900 0.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.33107E-02 ppm1 8.413 ppm2 8.962 CV 1 ASSI { 73} (( segid " " and resid 1965 and name H )) (( segid " " and resid 1963 and name H )) 4.000 2.000 2.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.49520E-03 ppm1 8.385 ppm2 7.897 CV 1 ASSI { 74} (( segid " " and resid 1965 and name H )) (( segid " " and resid 1967 and name H )) 4.300 2.300 1.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.30318E-03 ppm1 8.389 ppm2 7.805 CV 1 ASSI { 76} (( segid " " and resid 1965 and name H )) (( segid " " and resid 1966 and name H )) 2.800 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.22638E-02 ppm1 8.387 ppm2 8.059 CV 1 ASSI { 77} (( segid " " and resid 1953 and name H )) (( segid " " and resid 1952 and name H )) 2.600 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.35795E-02 ppm1 8.412 ppm2 7.987 CV 1 ASSI { 79} (( segid " " and resid 1966 and name H )) (( segid " " and resid 1967 and name H )) 2.600 0.800 0.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.36624E-02 ppm1 8.059 ppm2 7.804 CV 1 ASSI { 80} (( segid " " and resid 1955 and name H )) (( segid " " and resid 1956 and name H )) 2.600 0.900 0.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.31066E-02 ppm1 8.081 ppm2 7.716 CV 1 ASSI { 87} (( segid " " and resid 1965 and name H )) (( segid " " and resid 1964 and name HB )) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.21748E-02 ppm1 8.387 ppm2 2.500 CV 1 ASSI { 88} (( segid " " and resid 1951 and name H )) (( segid " " and resid 1950 and name HB3 )) 2.700 0.900 0.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.18878E-02 ppm1 8.082 ppm2 2.121 CV 1 ASSI { 89} (( segid " " and resid 1951 and name H )) (( segid " " and resid 1951 and name HB )) 2.000 0.500 0.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.13740E-01 ppm1 8.080 ppm2 1.977 CV 1 ASSI { 91} (( segid " " and resid 1965 and name H )) (( segid " " and resid 1965 and name HB2 )) 2.400 0.700 0.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.36180E-02 ppm1 8.410 ppm2 1.988 CV 1 ASSI { 94} (( segid " " and resid 1965 and name H )) (( segid " " and resid 1965 and name HB3 )) 3.600 1.600 1.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.23911E-02 ppm1 8.386 ppm2 1.438 CV 1 ASSI { 95} (( segid " " and resid 1965 and name H )) (( segid " " and resid 1965 and name HG )) 2.500 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.35412E-02 ppm1 8.386 ppm2 1.700 CV 1 ASSI { 101} (( segid " " and resid 1966 and name H )) ( segid " " and resid 1964 and name HG2%) 3.700 1.700 1.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.24659E-03 ppm1 8.060 ppm2 1.011 CV 1 ASSI { 104} (( segid " " and resid 1964 and name H )) (( segid " " and resid 1961 and name H )) 4.700 2.800 1.300 peak 104 spectrum 1 weight 0.10000E+01 volume 0.13542E-03 ppm1 8.179 ppm2 8.877 CV 1 ASSI { 105} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1961 and name H )) 4.200 2.200 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.30116E-03 ppm1 7.899 ppm2 8.875 CV 1 ASSI { 106} (( segid " " and resid 1964 and name H )) (( segid " " and resid 1965 and name H )) 2.700 0.900 0.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.22233E-02 ppm1 8.175 ppm2 8.386 CV 1 ASSI { 108} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1964 and name H )) 2.700 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.23365E-02 ppm1 7.903 ppm2 8.174 CV 1 ASSI { 110} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1962 and name H )) 2.700 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.28256E-02 ppm1 7.902 ppm2 7.577 CV 1 ASSI { 111} (( segid " " and resid 1964 and name H )) (( segid " " and resid 1962 and name H )) 4.500 2.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.27893E-03 ppm1 8.179 ppm2 7.579 CV 1 ASSI { 112} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1963 and name HD2 )) 3.400 1.500 1.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.83275E-03 ppm1 7.902 ppm2 6.927 CV 1 ASSI { 113} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1962 and name HA )) 3.400 1.400 1.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.10995E-02 ppm1 7.902 ppm2 4.146 CV 1 ASSI { 114} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1960 and name HA )) 2.600 0.800 0.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.38989E-02 ppm1 7.902 ppm2 4.023 CV 1 ASSI { 115} (( segid " " and resid 1964 and name H )) (( segid " " and resid 1962 and name HA )) 4.000 2.000 2.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.39009E-03 ppm1 8.174 ppm2 4.145 CV 1 ASSI { 117} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1963 and name HB2 )) 2.500 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.33451E-02 ppm1 7.902 ppm2 3.464 CV 1 ASSI { 119} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1963 and name HB3 )) 3.700 1.700 1.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 7.902 ppm2 3.025 CV 1 ASSI { 122} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1961 and name HB )) 4.900 3.000 1.100 peak 122 spectrum 1 weight 0.10000E+01 volume 0.29307E-03 ppm1 7.904 ppm2 2.357 CV 1 ASSI { 123} (( segid " " and resid 1964 and name H )) (( segid " " and resid 1964 and name HB )) 2.500 0.800 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.41334E-02 ppm1 8.175 ppm2 2.500 CV 1 ASSI { 124} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1960 and name HB3 )) 3.800 1.800 1.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.61647E-03 ppm1 7.901 ppm2 1.936 CV 1 ASSI { 125} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1960 and name HB2 )) 3.900 1.900 1.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.17787E-03 ppm1 7.901 ppm2 2.122 CV 1 ASSI { 126} (( segid " " and resid 1964 and name H )) (( segid " " and resid 1919 and name HB3 )) 3.800 1.800 1.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.65285E-03 ppm1 8.176 ppm2 1.969 CV 1 ASSI { 127} (( segid " " and resid 1964 and name H )) (( segid " " and resid 1965 and name HG )) 4.400 2.400 1.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.54370E-03 ppm1 8.175 ppm2 1.706 CV 1 ASSI { 128} (( segid " " and resid 1963 and name H )) (( segid " " and resid 1965 and name HG )) 4.500 2.500 1.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.35775E-03 ppm1 7.905 ppm2 1.704 CV 1 ASSI { 129} (( segid " " and resid 1963 and name H )) ( segid " " and resid 1966 and name HB% ) 4.100 2.100 1.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.64680E-03 ppm1 7.902 ppm2 1.524 CV 1 ASSI { 130} (( segid " " and resid 1964 and name H )) ( segid " " and resid 1966 and name HB% ) 4.400 2.500 1.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.34765E-03 ppm1 8.173 ppm2 1.519 CV 1 ASSI { 133} (( segid " " and resid 1963 and name H )) ( segid " " and resid 1961 and name HG1%) 4.300 2.300 1.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.45073E-03 ppm1 7.902 ppm2 0.909 CV 1 ASSI { 134} (( segid " " and resid 1963 and name H )) ( segid " " and resid 1965 and name HD1%) 4.400 2.400 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.52349E-03 ppm1 7.903 ppm2 0.829 CV 1 ASSI { 136} (( segid " " and resid 1964 and name H )) ( segid " " and resid 1961 and name HG1%) 3.800 1.800 1.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.85902E-03 ppm1 8.175 ppm2 0.915 CV 1 ASSI { 137} (( segid " " and resid 1964 and name H )) ( segid " " and resid 1964 and name HG1%) 3.800 1.800 1.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.20373E-02 ppm1 8.175 ppm2 0.828 CV 1 ASSI { 138} (( segid " " and resid 1962 and name H )) (( segid " " and resid 1961 and name H )) 2.600 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.32521E-02 ppm1 7.578 ppm2 8.875 CV 1 ASSI { 141} (( segid " " and resid 1961 and name H )) (( segid " " and resid 1960 and name H )) 2.600 0.900 0.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.22152E-02 ppm1 8.875 ppm2 7.976 CV 1 ASSI { 143} (( segid " " and resid 1962 and name H )) (( segid " " and resid 1962 and name HA )) 2.600 0.900 0.900 peak 143 spectrum 1 weight 0.10000E+01 volume 0.38160E-02 ppm1 7.578 ppm2 4.148 CV 1 ASSI { 144} (( segid " " and resid 1962 and name H )) (( segid " " and resid 1962 and name HB3 )) 2.500 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.54613E-02 ppm1 7.578 ppm2 4.013 CV 1 ASSI { 145} (( segid " " and resid 1961 and name H )) (( segid " " and resid 1960 and name HA )) 3.200 1.300 1.300 peak 145 spectrum 1 weight 0.10000E+01 volume 0.10955E-02 ppm1 8.875 ppm2 4.019 CV 1 ASSI { 146} (( segid " " and resid 1961 and name H )) (( segid " " and resid 1958 and name HA )) 3.200 1.300 1.300 peak 146 spectrum 1 weight 0.10000E+01 volume 0.19586E-02 ppm1 8.875 ppm2 3.906 CV 1 ASSI { 147} (( segid " " and resid 1961 and name H )) (( segid " " and resid 1961 and name HA )) 2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.31430E-02 ppm1 8.876 ppm2 3.466 CV 1 ASSI { 148} (( segid " " and resid 1962 and name H )) (( segid " " and resid 1961 and name HA )) 3.200 1.300 1.300 peak 148 spectrum 1 weight 0.10000E+01 volume 0.14290E-02 ppm1 7.579 ppm2 3.468 CV 1 ASSI { 149} (( segid " " and resid 1962 and name H )) (( segid " " and resid 1961 and name HB )) 2.500 0.800 0.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.38969E-02 ppm1 7.578 ppm2 2.356 CV 1 ASSI { 150} (( segid " " and resid 1961 and name H )) (( segid " " and resid 1961 and name HB )) 2.500 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.46892E-02 ppm1 8.875 ppm2 2.356 CV 1 ASSI { 151} (( segid " " and resid 1961 and name H )) (( segid " " and resid 1960 and name HB2 )) 3.000 1.100 1.100 peak 151 spectrum 1 weight 0.10000E+01 volume 0.10409E-02 ppm1 8.875 ppm2 2.118 CV 1 ASSI { 152} (( segid " " and resid 1962 and name H )) (( segid " " and resid 1960 and name HB2 )) 3.900 1.900 1.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.18797E-03 ppm1 7.577 ppm2 2.114 CV 1 ASSI { 153} (( segid " " and resid 1961 and name H )) (( segid " " and resid 1960 and name HB3 )) 3.700 1.700 1.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.10692E-02 ppm1 8.875 ppm2 1.944 CV 1 ASSI { 154} (( segid " " and resid 1962 and name H )) ( segid " " and resid 1865 and name HB% ) 3.700 1.700 1.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.26882E-03 ppm1 7.582 ppm2 1.544 CV 1 ASSI { 155} (( segid " " and resid 1962 and name H )) (( segid " " and resid 1965 and name HG )) 4.600 2.700 1.400 peak 155 spectrum 1 weight 0.10000E+01 volume 0.23648E-03 ppm1 7.577 ppm2 1.699 CV 1 ASSI { 156} (( segid " " and resid 1961 and name H )) (( segid " " and resid 1960 and name HG3 )) 3.400 3.400 2.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.43860E-03 ppm1 8.876 ppm2 1.679 CV 1 ASSI { 157} (( segid " " and resid 1961 and name H )) ( segid " " and resid 1865 and name HB% ) 5.700 4.100 0.300 peak 157 spectrum 1 weight 0.10000E+01 volume 0.37392E-03 ppm1 8.877 ppm2 1.573 CV 1 ASSI { 160} (( segid " " and resid 1962 and name H )) ( segid " " and resid 1965 and name HD1%) 3.800 1.800 1.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.91965E-03 ppm1 7.577 ppm2 0.829 CV 1 ASSI { 163} (( segid " " and resid 1961 and name H )) ( segid " " and resid 1957 and name HG1%) 3.700 1.700 1.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.95196E-03 ppm1 8.876 ppm2 0.798 CV 1 ASSI { 164} (( segid " " and resid 1961 and name H )) ( segid " " and resid 1864 and name HD1%) 5.800 4.200 0.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.32340E-03 ppm1 8.873 ppm2 0.710 CV 1 ASSI { 166} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1958 and name H )) 4.400 2.400 1.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.29105E-03 ppm1 7.977 ppm2 8.764 CV 1 ASSI { 167} (( segid " " and resid 1959 and name H )) (( segid " " and resid 1961 and name H )) 4.100 2.100 1.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.36382E-03 ppm1 7.864 ppm2 8.874 CV 1 ASSI { 168} (( segid " " and resid 1959 and name H )) (( segid " " and resid 1958 and name H )) 2.700 0.900 0.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.28014E-02 ppm1 7.864 ppm2 8.762 CV 1 ASSI { 169} (( segid " " and resid 1959 and name H )) (( segid " " and resid 1957 and name H )) 4.200 2.200 1.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.27893E-03 ppm1 7.862 ppm2 8.280 CV 1 ASSI { 171} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1959 and name H )) 2.600 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.28903E-02 ppm1 7.976 ppm2 7.868 CV 1 ASSI { 172} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1962 and name H )) 4.300 2.300 1.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.30318E-03 ppm1 7.975 ppm2 7.578 CV 1 ASSI { 174} (( segid " " and resid 1959 and name H )) (( segid " " and resid 1959 and name HA )) 2.400 0.700 0.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.78905E-02 ppm1 7.865 ppm2 3.950 CV 1 ASSI { 175} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1960 and name HA )) 2.700 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.26296E-02 ppm1 7.975 ppm2 4.024 CV 1 ASSI { 176} (( segid " " and resid 1930 and name H )) (( segid " " and resid 1930 and name HA )) 2.700 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.27448E-02 ppm1 7.941 ppm2 4.028 CV 1 ASSI { 177} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1959 and name HA )) 3.100 1.200 1.200 peak 177 spectrum 1 weight 0.10000E+01 volume 0.16291E-02 ppm1 7.976 ppm2 3.962 CV 1 ASSI { 179} (( segid " " and resid 1959 and name H )) (( segid " " and resid 1957 and name HA )) 4.300 2.300 1.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.24457E-03 ppm1 7.865 ppm2 3.449 CV 1 ASSI { 180} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1960 and name HE2 )) 4.600 2.600 1.400 peak 180 spectrum 1 weight 0.10000E+01 volume 0.45275E-03 ppm1 7.975 ppm2 2.972 CV 1 ASSI { 183} (( segid " " and resid 1959 and name H )) (( segid " " and resid 1959 and name HG3 )) 2.300 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.55542E-02 ppm1 7.865 ppm2 1.983 CV 1 ASSI { 184} (( segid " " and resid 1959 and name H )) (( segid " " and resid 1956 and name HB3 )) 4.400 2.400 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.29307E-03 ppm1 7.861 ppm2 1.871 CV 1 ASSI { 186} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1960 and name HB3 )) 3.200 1.300 1.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.37089E-02 ppm1 7.975 ppm2 1.963 CV 1 ASSI { 187} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1959 and name HG2 )) 3.600 1.600 1.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.29712E-03 ppm1 7.970 ppm2 2.271 CV 1 ASSI { 190} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1960 and name HG2 )) 2.600 0.800 0.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.15725E-02 ppm1 7.976 ppm2 1.626 CV 1 ASSI { 191} (( segid " " and resid 1959 and name H )) (( segid " " and resid 1960 and name HG2 )) 4.600 2.700 1.400 peak 191 spectrum 1 weight 0.10000E+01 volume 0.30722E-03 ppm1 7.865 ppm2 1.606 CV 1 ASSI { 193} (( segid " " and resid 1930 and name H )) (( segid " " and resid 1930 and name HB3 )) 2.800 1.000 1.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.47781E-02 ppm1 7.940 ppm2 1.399 CV 1 ASSI { 194} (( segid " " and resid 1959 and name H )) ( segid " " and resid 1961 and name HG2%) 4.200 2.300 1.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.41031E-03 ppm1 7.865 ppm2 0.994 CV 1 ASSI { 196} (( segid " " and resid 1959 and name H )) ( segid " " and resid 1957 and name HG1%) 4.800 2.800 1.200 peak 196 spectrum 1 weight 0.10000E+01 volume 0.22233E-03 ppm1 7.868 ppm2 0.799 CV 1 ASSI { 198} (( segid " " and resid 1960 and name H )) ( segid " " and resid 1957 and name HG1%) 4.200 2.200 1.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.42041E-03 ppm1 7.973 ppm2 0.797 CV 1 ASSI { 199} (( segid " " and resid 1958 and name H )) (( segid " " and resid 1957 and name H )) 2.600 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.29651E-02 ppm1 8.761 ppm2 8.282 CV 1 ASSI { 205} (( segid " " and resid 1957 and name H )) (( segid " " and resid 1956 and name H )) 2.700 0.900 0.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.24578E-02 ppm1 8.283 ppm2 7.717 CV 1 ASSI { 206} (( segid " " and resid 1958 and name H )) (( segid " " and resid 1956 and name HA )) 4.700 2.800 1.300 peak 206 spectrum 1 weight 0.10000E+01 volume 0.17382E-03 ppm1 8.759 ppm2 4.105 CV 1 ASSI { 207} (( segid " " and resid 1958 and name H )) (( segid " " and resid 1958 and name HB2 )) 2.200 0.600 0.600 peak 207 spectrum 1 weight 0.10000E+01 volume 0.81068E-02 ppm1 8.761 ppm2 3.918 CV 1 OR { 207} (( segid " " and resid 1958 and name H )) (( segid " " and resid 1958 and name HA )) ASSI { 208} (( segid " " and resid 1957 and name H )) (( segid " " and resid 1956 and name HA )) 3.500 1.500 1.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.82870E-03 ppm1 8.285 ppm2 4.104 CV 1 ASSI { 209} (( segid " " and resid 1957 and name H )) (( segid " " and resid 1957 and name HA )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.23021E-02 ppm1 8.283 ppm2 3.446 CV 1 ASSI { 210} (( segid " " and resid 1958 and name H )) (( segid " " and resid 1957 and name HA )) 3.400 1.400 1.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.10733E-02 ppm1 8.761 ppm2 3.445 CV 1 ASSI { 211} (( segid " " and resid 1958 and name H )) (( segid " " and resid 1961 and name HB )) 5.200 3.300 0.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.20212E-03 ppm1 8.768 ppm2 2.359 CV 1 ASSI { 212} (( segid " " and resid 1958 and name H )) (( segid " " and resid 1957 and name HB )) 2.500 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.32925E-02 ppm1 8.762 ppm2 2.142 CV 1 ASSI { 213} (( segid " " and resid 1957 and name H )) (( segid " " and resid 1957 and name HB )) 2.400 0.700 0.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.43072E-02 ppm1 8.283 ppm2 2.143 CV 1 ASSI { 214} (( segid " " and resid 1957 and name H )) (( segid " " and resid 1956 and name HB2 )) 2.900 1.000 1.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.15846E-02 ppm1 8.283 ppm2 2.045 CV 1 ASSI { 215} (( segid " " and resid 1958 and name H )) (( segid " " and resid 1959 and name HG3 )) 3.900 1.900 1.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.82265E-03 ppm1 8.761 ppm2 1.980 CV 1 ASSI { 216} (( segid " " and resid 1815 and name H )) (( segid " " and resid 1815 and name HB2 )) 4.400 2.400 1.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.24659E-03 ppm1 8.301 ppm2 2.702 CV 1 ASSI { 217} (( segid " " and resid 1957 and name H )) (( segid " " and resid 1956 and name HG3 )) 3.500 1.500 1.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.15766E-02 ppm1 8.283 ppm2 1.869 CV 1 ASSI { 218} (( segid " " and resid 1958 and name H )) ( segid " " and resid 1865 and name HB% ) 5.200 3.400 0.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.20818E-03 ppm1 8.760 ppm2 1.572 CV 1 ASSI { 220} (( segid " " and resid 1957 and name H )) ( segid " " and resid 1954 and name HB% ) 3.300 1.400 1.400 peak 220 spectrum 1 weight 0.10000E+01 volume 0.47094E-03 ppm1 8.280 ppm2 1.308 CV 1 ASSI { 221} (( segid " " and resid 1958 and name H )) ( segid " " and resid 1954 and name HB% ) 3.300 1.400 1.400 peak 221 spectrum 1 weight 0.10000E+01 volume 0.47700E-03 ppm1 8.762 ppm2 1.302 CV 1 ASSI { 223} (( segid " " and resid 1958 and name H )) ( segid " " and resid 1957 and name HG1%) 3.300 1.400 1.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.16978E-02 ppm1 8.761 ppm2 0.790 CV 1 ASSI { 224} (( segid " " and resid 1957 and name H )) ( segid " " and resid 1957 and name HG2%) 2.300 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.60616E-02 ppm1 8.283 ppm2 0.911 CV 1 ASSI { 225} (( segid " " and resid 1957 and name H )) ( segid " " and resid 1957 and name HG1%) 3.800 1.800 1.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.17382E-02 ppm1 8.282 ppm2 0.790 CV 1 ASSI { 226} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1954 and name H )) 4.000 2.000 2.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.41839E-03 ppm1 7.719 ppm2 8.963 CV 1 ASSI { 227} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1958 and name H )) 4.400 2.400 1.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.30520E-03 ppm1 7.715 ppm2 8.759 CV 1 ASSI { 230} (( segid " " and resid 1957 and name H )) (( segid " " and resid 1955 and name H )) 4.200 2.200 1.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.35371E-03 ppm1 8.284 ppm2 8.076 CV 1 ASSI { 234} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1955 and name HA )) 3.200 1.300 1.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.15159E-02 ppm1 7.717 ppm2 3.960 CV 1 ASSI { 235} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1954 and name HA )) 4.500 2.500 1.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.16372E-03 ppm1 7.717 ppm2 3.827 CV 1 ASSI { 237} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1957 and name HA )) 5.300 3.500 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.19606E-03 ppm1 7.719 ppm2 3.448 CV 1 ASSI { 238} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1955 and name HD2 )) 3.600 1.600 1.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.29712E-03 ppm1 7.719 ppm2 3.212 CV 1 ASSI { 240} (( segid " " and resid 1951 and name H )) (( segid " " and resid 1953 and name HB2 )) 4.500 2.500 1.500 peak 240 spectrum 1 weight 0.10000E+01 volume 0.16574E-03 ppm1 8.083 ppm2 3.093 CV 1 ASSI { 242} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1955 and name HG2 )) 4.400 2.400 1.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.37594E-03 ppm1 7.718 ppm2 1.739 CV 1 ASSI { 243} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1956 and name HG2 )) 3.500 1.500 1.500 peak 243 spectrum 1 weight 0.10000E+01 volume 0.19020E-02 ppm1 7.718 ppm2 1.615 CV 1 ASSI { 244} (( segid " " and resid 1956 and name H )) ( segid " " and resid 1954 and name HB% ) 3.400 1.500 1.500 peak 244 spectrum 1 weight 0.10000E+01 volume 0.39211E-03 ppm1 7.718 ppm2 1.306 CV 1 ASSI { 246} (( segid " " and resid 1956 and name H )) ( segid " " and resid 1957 and name HG2%) 3.900 1.900 1.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.10975E-02 ppm1 7.718 ppm2 0.907 CV 1 ASSI { 249} (( segid " " and resid 1954 and name H )) (( segid " " and resid 1952 and name H )) 3.900 1.900 1.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.55381E-03 ppm1 8.962 ppm2 7.985 CV 1 ASSI { 251} (( segid " " and resid 1954 and name H )) (( segid " " and resid 1952 and name HA )) 4.200 2.200 1.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.31126E-03 ppm1 8.961 ppm2 4.145 CV 1 ASSI { 252} (( segid " " and resid 1954 and name H )) (( segid " " and resid 1953 and name HA )) 3.300 1.300 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.14816E-02 ppm1 8.962 ppm2 4.010 CV 1 ASSI { 253} (( segid " " and resid 1953 and name H )) (( segid " " and resid 1953 and name HA )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.45113E-02 ppm1 8.413 ppm2 4.008 CV 1 ASSI { 255} (( segid " " and resid 1953 and name H )) (( segid " " and resid 1950 and name HA )) 3.500 1.500 1.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.97622E-03 ppm1 8.414 ppm2 3.676 CV 1 ASSI { 264} (( segid " " and resid 1954 and name H )) (( segid " " and resid 1957 and name HB )) 4.600 2.700 1.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.43860E-03 ppm1 8.962 ppm2 2.132 CV 1 ASSI { 265} (( segid " " and resid 1954 and name H )) (( segid " " and resid 1950 and name HG )) 3.700 1.700 1.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.50328E-03 ppm1 8.962 ppm2 1.560 CV 1 ASSI { 266} (( segid " " and resid 1954 and name H )) (( segid " " and resid 1955 and name HG2 )) 5.200 3.400 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.19606E-03 ppm1 8.967 ppm2 1.755 CV 1 ASSI { 267} (( segid " " and resid 1953 and name H )) ( segid " " and resid 1954 and name HB% ) 4.100 2.100 1.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.92370E-03 ppm1 8.413 ppm2 1.308 CV 1 ASSI { 268} (( segid " " and resid 1954 and name H )) (( segid " " and resid 1930 and name HG )) 4.100 2.100 1.900 peak 268 spectrum 1 weight 0.10000E+01 volume 0.30722E-03 ppm1 8.962 ppm2 1.404 CV 1 ASSI { 270} (( segid " " and resid 1954 and name H )) ( segid " " and resid 1930 and name HD2%) 2.700 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.47781E-02 ppm1 8.962 ppm2 0.908 CV 1 ASSI { 274} (( segid " " and resid 1952 and name H )) (( segid " " and resid 1952 and name HA )) 2.600 0.800 0.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.38302E-02 ppm1 7.988 ppm2 4.154 CV 1 ASSI { 275} (( segid " " and resid 1952 and name H )) (( segid " " and resid 1949 and name HA )) 3.000 1.100 1.100 peak 275 spectrum 1 weight 0.10000E+01 volume 0.17585E-02 ppm1 7.987 ppm2 3.994 CV 1 ASSI { 276} (( segid " " and resid 1952 and name H )) (( segid " " and resid 1948 and name HA )) 4.200 2.200 1.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.50126E-03 ppm1 7.987 ppm2 3.893 CV 1 ASSI { 277} (( segid " " and resid 1952 and name H )) (( segid " " and resid 1951 and name HA )) 3.500 1.500 1.500 peak 277 spectrum 1 weight 0.10000E+01 volume 0.87517E-03 ppm1 7.988 ppm2 3.446 CV 1 ASSI { 281} (( segid " " and resid 1952 and name H )) (( segid " " and resid 1951 and name HB )) 2.200 0.600 0.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.69553E-02 ppm1 7.987 ppm2 1.981 CV 1 ASSI { 283} (( segid " " and resid 1952 and name H )) (( segid " " and resid 1948 and name HG3 )) 3.400 3.400 2.600 peak 283 spectrum 1 weight 0.10000E+01 volume 0.45073E-03 ppm1 7.985 ppm2 1.569 CV 1 ASSI { 284} (( segid " " and resid 1952 and name H )) ( segid " " and resid 1954 and name HB% ) 4.400 2.400 1.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.32744E-03 ppm1 7.986 ppm2 1.324 CV 1 ASSI { 286} (( segid " " and resid 1949 and name H )) (( segid " " and resid 1950 and name H )) 2.700 0.900 0.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.24477E-02 ppm1 8.041 ppm2 8.395 CV 1 ASSI { 287} (( segid " " and resid 1950 and name H )) (( segid " " and resid 1948 and name H )) 4.000 2.000 2.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.56594E-03 ppm1 8.395 ppm2 7.804 CV 1 ASSI { 288} (( segid " " and resid 1949 and name H )) (( segid " " and resid 1948 and name H )) 2.500 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.39858E-02 ppm1 8.043 ppm2 7.803 CV 1 ASSI { 289} (( segid " " and resid 1950 and name H )) (( segid " " and resid 1949 and name HA )) 3.500 1.500 1.500 peak 289 spectrum 1 weight 0.10000E+01 volume 0.83681E-03 ppm1 8.395 ppm2 3.993 CV 1 ASSI { 290} (( segid " " and resid 1950 and name H )) (( segid " " and resid 1946 and name HA )) 3.900 1.900 1.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.60636E-03 ppm1 8.398 ppm2 3.862 CV 1 ASSI { 292} (( segid " " and resid 1950 and name H )) (( segid " " and resid 1950 and name HA )) 2.800 1.000 1.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.24092E-02 ppm1 8.396 ppm2 3.676 CV 1 ASSI { 293} (( segid " " and resid 1949 and name H )) (( segid " " and resid 1946 and name HA )) 2.900 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.22557E-02 ppm1 8.042 ppm2 3.867 CV 1 ASSI { 295} (( segid " " and resid 1950 and name H )) (( segid " " and resid 1950 and name HB3 )) 2.600 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.35593E-02 ppm1 8.395 ppm2 2.134 CV 1 ASSI { 296} (( segid " " and resid 1950 and name H )) (( segid " " and resid 1951 and name HB )) 3.700 1.800 1.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.10409E-02 ppm1 8.396 ppm2 1.984 CV 1 ASSI { 298} (( segid " " and resid 1950 and name H )) (( segid " " and resid 1949 and name HB3 )) 3.600 1.700 1.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.12794E-02 ppm1 8.396 ppm2 1.805 CV 1 ASSI { 299} (( segid " " and resid 1949 and name H )) (( segid " " and resid 1949 and name HG2 )) 3.200 1.300 1.300 peak 299 spectrum 1 weight 0.10000E+01 volume 0.43901E-02 ppm1 8.048 ppm2 2.008 CV 1 ASSI { 301} (( segid " " and resid 1949 and name H )) (( segid " " and resid 1949 and name HB3 )) 3.400 1.500 1.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.29692E-02 ppm1 8.042 ppm2 1.812 CV 1 ASSI { 302} (( segid " " and resid 1949 and name H )) (( segid " " and resid 1948 and name HG3 )) 3.800 1.800 1.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.13057E-02 ppm1 8.042 ppm2 1.571 CV 1 ASSI { 303} (( segid " " and resid 1950 and name H )) (( segid " " and resid 1950 and name HB2 )) 2.400 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.46286E-02 ppm1 8.395 ppm2 1.559 CV 1 ASSI { 304} (( segid " " and resid 1950 and name H )) (( segid " " and resid 1933 and name HG3 )) 4.000 2.000 2.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.56189E-03 ppm1 8.398 ppm2 1.443 CV 1 ASSI { 306} (( segid " " and resid 1950 and name H )) ( segid " " and resid 1946 and name HG2%) 3.200 1.300 1.300 peak 306 spectrum 1 weight 0.10000E+01 volume 0.57402E-03 ppm1 8.396 ppm2 1.133 CV 1 ASSI { 308} (( segid " " and resid 1947 and name H )) (( segid " " and resid 1946 and name H )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.27387E-02 ppm1 7.808 ppm2 8.132 CV 1 ASSI { 310} (( segid " " and resid 1947 and name H )) (( segid " " and resid 1946 and name HB )) 2.700 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.21405E-02 ppm1 7.808 ppm2 4.053 CV 1 ASSI { 311} (( segid " " and resid 1947 and name H )) (( segid " " and resid 1947 and name HA )) 2.700 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.29307E-02 ppm1 7.808 ppm2 3.775 CV 1 ASSI { 313} (( segid " " and resid 1948 and name H )) (( segid " " and resid 1947 and name HA )) 3.500 1.500 1.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.73569E-03 ppm1 7.799 ppm2 3.775 CV 1 ASSI { 315} (( segid " " and resid 1948 and name H )) (( segid " " and resid 1944 and name HA )) 3.700 1.700 1.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.66495E-03 ppm1 7.800 ppm2 3.643 CV 1 ASSI { 317} (( segid " " and resid 1948 and name H )) (( segid " " and resid 1948 and name HB3 )) 2.100 0.600 0.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.10654E-01 ppm1 7.800 ppm2 1.898 CV 1 OR { 317} (( segid " " and resid 1948 and name H )) (( segid " " and resid 1948 and name HB2 )) ASSI { 318} (( segid " " and resid 1947 and name H )) (( segid " " and resid 1937 and name HG )) 4.000 2.000 2.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.75191E-03 ppm1 7.808 ppm2 1.640 CV 1 ASSI { 320} (( segid " " and resid 1900 and name H )) ( segid " " and resid 1903 and name HB% ) 4.200 2.200 1.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.45881E-03 ppm1 7.834 ppm2 1.256 CV 1 ASSI { 322} (( segid " " and resid 1948 and name H )) ( segid " " and resid 1946 and name HG2%) 4.800 2.800 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.25063E-03 ppm1 7.802 ppm2 1.134 CV 1 ASSI { 323} (( segid " " and resid 1900 and name H )) ( segid " " and resid 1920 and name HG2%) 3.800 1.800 1.800 peak 323 spectrum 1 weight 0.10000E+01 volume 0.15402E-02 ppm1 7.833 ppm2 0.969 CV 1 ASSI { 324} (( segid " " and resid 1891 and name H )) (( segid " " and resid 1892 and name H )) 2.700 0.900 0.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.28539E-02 ppm1 8.116 ppm2 8.750 CV 1 ASSI { 326} (( segid " " and resid 1891 and name H )) (( segid " " and resid 1893 and name H )) 4.400 2.400 1.600 peak 326 spectrum 1 weight 0.10000E+01 volume 0.23648E-03 ppm1 8.114 ppm2 9.133 CV 1 ASSI { 327} (( segid " " and resid 1945 and name H )) (( segid " " and resid 1944 and name H )) 2.700 0.900 0.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.25730E-02 ppm1 8.108 ppm2 8.295 CV 1 ASSI { 329} (( segid " " and resid 1945 and name H )) (( segid " " and resid 1947 and name H )) 3.500 1.500 1.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.10308E-02 ppm1 8.108 ppm2 7.805 CV 1 ASSI { 330} (( segid " " and resid 1945 and name H )) ( segid " " and resid 1945 and name HD% ) 4.100 2.100 1.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.12148E-02 ppm1 8.108 ppm2 7.155 CV 1 ASSI { 331} (( segid " " and resid 1946 and name H )) ( segid " " and resid 1945 and name HD% ) 4.700 2.800 1.300 peak 331 spectrum 1 weight 0.10000E+01 volume 0.25063E-03 ppm1 8.141 ppm2 7.157 CV 1 ASSI { 333} (( segid " " and resid 1891 and name H )) (( segid " " and resid 1891 and name HA )) 2.600 0.800 0.800 peak 333 spectrum 1 weight 0.10000E+01 volume 0.44163E-02 ppm1 8.117 ppm2 4.163 CV 1 ASSI { 334} (( segid " " and resid 1946 and name H )) (( segid " " and resid 1946 and name HB )) 2.500 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.35109E-02 ppm1 8.136 ppm2 4.056 CV 1 ASSI { 335} (( segid " " and resid 1891 and name H )) (( segid " " and resid 1888 and name HA )) 2.400 0.700 0.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.70724E-02 ppm1 8.116 ppm2 3.922 CV 1 ASSI { 337} (( segid " " and resid 1946 and name H )) (( segid " " and resid 1944 and name HA )) 4.600 2.600 1.400 peak 337 spectrum 1 weight 0.10000E+01 volume 0.20616E-03 ppm1 8.138 ppm2 3.642 CV 1 ASSI { 338} (( segid " " and resid 1946 and name H )) (( segid " " and resid 1945 and name HB3 )) 2.600 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.36826E-02 ppm1 8.137 ppm2 3.139 CV 1 OR { 338} (( segid " " and resid 1946 and name H )) (( segid " " and resid 1945 and name HB2 )) ASSI { 341} (( segid " " and resid 1946 and name H )) (( segid " " and resid 1943 and name HB2 )) 4.700 2.700 1.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.43860E-03 ppm1 8.139 ppm2 2.660 CV 1 ASSI { 346} (( segid " " and resid 1946 and name H )) ( segid " " and resid 1944 and name HG1%) 4.100 2.100 1.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.64474E-03 ppm1 8.135 ppm2 0.880 CV 1 ASSI { 347} (( segid " " and resid 1943 and name H )) (( segid " " and resid 1942 and name H )) 2.500 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.47519E-02 ppm1 7.675 ppm2 8.121 CV 1 ASSI { 349} (( segid " " and resid 1944 and name H )) (( segid " " and resid 1947 and name H )) 4.500 2.500 1.500 peak 349 spectrum 1 weight 0.10000E+01 volume 0.22840E-03 ppm1 8.297 ppm2 7.805 CV 1 ASSI { 350} (( segid " " and resid 1944 and name H )) (( segid " " and resid 1943 and name H )) 4.500 2.500 1.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.53764E-03 ppm1 8.294 ppm2 7.676 CV 1 ASSI { 352} (( segid " " and resid 1943 and name H )) (( segid " " and resid 1940 and name HB3 )) 2.900 2.900 3.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.19242E-02 ppm1 7.675 ppm2 4.022 CV 1 ASSI { 354} (( segid " " and resid 1944 and name H )) (( segid " " and resid 1944 and name HA )) 2.600 0.800 0.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.38706E-02 ppm1 8.294 ppm2 3.641 CV 1 ASSI { 355} (( segid " " and resid 1943 and name H )) (( segid " " and resid 1941 and name HD3 )) 4.100 2.100 1.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.13744E-03 ppm1 7.674 ppm2 3.620 CV 1 ASSI { 356} (( segid " " and resid 1943 and name H )) (( segid " " and resid 1943 and name HB3 )) 2.900 1.000 1.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.44487E-02 ppm1 7.675 ppm2 3.024 CV 1 ASSI { 357} (( segid " " and resid 1944 and name H )) (( segid " " and resid 1945 and name HB2 )) 4.800 2.800 1.200 peak 357 spectrum 1 weight 0.10000E+01 volume 0.43658E-03 ppm1 8.292 ppm2 3.137 CV 1 ASSI { 359} (( segid " " and resid 1943 and name H )) (( segid " " and resid 1943 and name HB2 )) 2.400 0.700 0.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.49884E-02 ppm1 7.675 ppm2 2.660 CV 1 ASSI { 364} (( segid " " and resid 1942 and name H )) (( segid " " and resid 1940 and name HA )) 3.400 1.500 1.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.82464E-03 ppm1 8.120 ppm2 4.822 CV 1 ASSI { 365} (( segid " " and resid 1942 and name H )) (( segid " " and resid 1942 and name HA )) 2.600 0.900 0.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.46508E-02 ppm1 8.121 ppm2 4.526 CV 1 ASSI { 368} (( segid " " and resid 1942 and name H )) (( segid " " and resid 1941 and name HD2 )) 3.400 1.400 1.400 peak 368 spectrum 1 weight 0.10000E+01 volume 0.69733E-03 ppm1 8.121 ppm2 3.400 CV 1 ASSI { 369} (( segid " " and resid 1942 and name H )) (( segid " " and resid 1943 and name HB3 )) 5.100 3.300 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.46690E-03 ppm1 8.124 ppm2 3.022 CV 1 ASSI { 370} (( segid " " and resid 1942 and name H )) (( segid " " and resid 1943 and name HB2 )) 4.700 2.700 1.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.54168E-03 ppm1 8.121 ppm2 2.659 CV 1 ASSI { 371} (( segid " " and resid 1942 and name H )) (( segid " " and resid 1941 and name HB3 )) 4.100 2.100 1.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.57402E-03 ppm1 8.122 ppm2 2.135 CV 1 ASSI { 372} (( segid " " and resid 1942 and name H )) ( segid " " and resid 1937 and name HD2%) 3.800 1.800 1.800 peak 372 spectrum 1 weight 0.10000E+01 volume 0.60030E-03 ppm1 8.119 ppm2 0.959 CV 1 ASSI { 373} (( segid " " and resid 1938 and name H )) (( segid " " and resid 1937 and name H )) 2.600 0.800 0.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.33047E-02 ppm1 7.923 ppm2 8.211 CV 1 ASSI { 374} (( segid " " and resid 1939 and name H )) (( segid " " and resid 1937 and name H )) 4.300 2.300 1.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.32137E-03 ppm1 7.184 ppm2 8.210 CV 1 ASSI { 375} (( segid " " and resid 1939 and name H )) (( segid " " and resid 1938 and name H )) 2.600 0.900 0.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.30924E-02 ppm1 7.181 ppm2 7.922 CV 1 ASSI { 376} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1938 and name H )) 4.200 2.200 1.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.45679E-03 ppm1 7.447 ppm2 7.924 CV 1 ASSI { 380} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1939 and name H )) 2.400 0.700 0.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.56493E-02 ppm1 7.451 ppm2 7.181 CV 1 ASSI { 381} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1940 and name HA )) 2.700 0.900 0.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.35694E-02 ppm1 7.451 ppm2 4.823 CV 1 ASSI { 387} (( segid " " and resid 1939 and name H )) (( segid " " and resid 1937 and name HA )) 3.700 1.700 1.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.55381E-03 ppm1 7.182 ppm2 4.039 CV 1 ASSI { 390} (( segid " " and resid 1939 and name H )) (( segid " " and resid 1938 and name HA )) 3.100 1.200 1.200 peak 390 spectrum 1 weight 0.10000E+01 volume 0.18049E-02 ppm1 7.181 ppm2 3.739 CV 1 ASSI { 391} (( segid " " and resid 1939 and name H )) (( segid " " and resid 1941 and name HD3 )) 4.800 2.800 1.200 peak 391 spectrum 1 weight 0.10000E+01 volume 0.16776E-03 ppm1 7.178 ppm2 3.621 CV 1 ASSI { 393} (( segid " " and resid 1938 and name H )) (( segid " " and resid 1941 and name HD3 )) 4.500 2.600 1.500 peak 393 spectrum 1 weight 0.10000E+01 volume 0.26276E-03 ppm1 7.925 ppm2 3.632 CV 1 ASSI { 394} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1941 and name HD2 )) 3.400 1.500 1.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.18999E-02 ppm1 7.451 ppm2 3.404 CV 1 ASSI { 396} (( segid " " and resid 1938 and name H )) (( segid " " and resid 1938 and name HB2 )) 2.300 0.700 0.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.44447E-02 ppm1 7.923 ppm2 2.199 CV 1 ASSI { 397} (( segid " " and resid 1938 and name H )) (( segid " " and resid 1938 and name HB3 )) 3.400 1.500 1.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.37554E-02 ppm1 7.923 ppm2 2.117 CV 1 ASSI { 399} (( segid " " and resid 1939 and name H )) (( segid " " and resid 1938 and name HB2 )) 3.100 1.200 1.200 peak 399 spectrum 1 weight 0.10000E+01 volume 0.14816E-02 ppm1 7.183 ppm2 2.198 CV 1 ASSI { 400} (( segid " " and resid 1939 and name H )) (( segid " " and resid 1938 and name HB3 )) 3.200 1.300 1.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.18433E-02 ppm1 7.181 ppm2 2.117 CV 1 ASSI { 401} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1938 and name HB3 )) 4.100 2.100 1.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.53562E-03 ppm1 7.452 ppm2 2.125 CV 1 ASSI { 402} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1941 and name HG3 )) 4.600 2.700 1.400 peak 402 spectrum 1 weight 0.10000E+01 volume 0.57200E-03 ppm1 7.452 ppm2 1.976 CV 1 ASSI { 404} (( segid " " and resid 1940 and name H )) ( segid " " and resid 1936 and name HB% ) 4.600 2.700 1.400 peak 404 spectrum 1 weight 0.10000E+01 volume 0.23850E-03 ppm1 7.454 ppm2 1.506 CV 1 ASSI { 405} (( segid " " and resid 1939 and name H )) ( segid " " and resid 1936 and name HB% ) 4.700 2.700 1.300 peak 405 spectrum 1 weight 0.10000E+01 volume 0.29105E-03 ppm1 7.185 ppm2 1.502 CV 1 ASSI { 406} (( segid " " and resid 1938 and name H )) (( segid " " and resid 1937 and name HB3 )) 2.700 0.900 0.900 peak 406 spectrum 1 weight 0.10000E+01 volume 0.18130E-02 ppm1 7.923 ppm2 1.759 CV 1 ASSI { 407} (( segid " " and resid 1938 and name H )) (( segid " " and resid 1937 and name HG )) 4.600 2.700 1.400 peak 407 spectrum 1 weight 0.10000E+01 volume 0.50328E-03 ppm1 7.922 ppm2 1.628 CV 1 ASSI { 408} (( segid " " and resid 1938 and name H )) ( segid " " and resid 1936 and name HB% ) 4.700 2.700 1.300 peak 408 spectrum 1 weight 0.10000E+01 volume 0.42850E-03 ppm1 7.927 ppm2 1.504 CV 1 ASSI { 409} (( segid " " and resid 1938 and name H )) ( segid " " and resid 1934 and name HB% ) 3.900 1.900 1.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.60030E-03 ppm1 7.918 ppm2 1.353 CV 1 ASSI { 410} (( segid " " and resid 1938 and name H )) (( segid " " and resid 1937 and name HB2 )) 3.800 1.800 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.14492E-02 ppm1 7.923 ppm2 1.248 CV 1 ASSI { 411} (( segid " " and resid 1938 and name H )) ( segid " " and resid 1946 and name HG2%) 4.900 3.000 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.36584E-03 ppm1 7.922 ppm2 1.130 CV 1 ASSI { 413} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1937 and name HB2 )) 5.200 3.400 0.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.19201E-03 ppm1 7.449 ppm2 1.245 CV 1 ASSI { 415} (( segid " " and resid 1939 and name H )) ( segid " " and resid 1937 and name HD1%) 4.100 2.100 1.900 peak 415 spectrum 1 weight 0.10000E+01 volume 0.54977E-03 ppm1 7.181 ppm2 0.941 CV 1 ASSI { 417} (( segid " " and resid 1867 and name H )) (( segid " " and resid 1868 and name H )) 2.700 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 8.215 ppm2 8.453 CV 1 ASSI { 420} (( segid " " and resid 1867 and name H )) (( segid " " and resid 1866 and name H )) 2.600 0.800 0.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.35593E-02 ppm1 8.214 ppm2 7.823 CV 1 ASSI { 421} (( segid " " and resid 1937 and name H )) (( segid " " and resid 1936 and name H )) 2.700 0.900 0.900 peak 421 spectrum 1 weight 0.10000E+01 volume 0.28014E-02 ppm1 8.210 ppm2 7.653 CV 1 ASSI { 423} (( segid " " and resid 1938 and name H )) (( segid " " and resid 1936 and name H )) 4.300 2.300 1.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.39009E-03 ppm1 7.924 ppm2 7.653 CV 1 ASSI { 425} (( segid " " and resid 1867 and name H )) (( segid " " and resid 1867 and name HB )) 2.500 0.800 0.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.38585E-02 ppm1 8.215 ppm2 4.270 CV 1 ASSI { 426} (( segid " " and resid 1936 and name H )) (( segid " " and resid 1936 and name HA )) 2.600 0.800 0.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.53724E-02 ppm1 7.655 ppm2 4.123 CV 1 ASSI { 428} (( segid " " and resid 1867 and name H )) (( segid " " and resid 1867 and name HA )) 2.600 0.900 0.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.33370E-02 ppm1 8.215 ppm2 3.787 CV 1 ASSI { 429} (( segid " " and resid 1936 and name H )) (( segid " " and resid 1934 and name HA )) 4.800 2.900 1.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.13138E-03 ppm1 7.658 ppm2 3.917 CV 1 ASSI { 430} (( segid " " and resid 1936 and name H )) (( segid " " and resid 1935 and name HA2 )) 3.400 1.400 1.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.17928E-02 ppm1 7.655 ppm2 3.737 CV 1 ASSI { 431} (( segid " " and resid 1867 and name H )) (( segid " " and resid 1866 and name HB )) 3.100 1.200 1.200 peak 431 spectrum 1 weight 0.10000E+01 volume 0.42263E-02 ppm1 8.215 ppm2 2.192 CV 1 ASSI { 432} (( segid " " and resid 1936 and name H )) (( segid " " and resid 1937 and name HB3 )) 5.000 3.100 1.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.30722E-03 ppm1 7.654 ppm2 1.755 CV 1 ASSI { 434} (( segid " " and resid 1937 and name H )) (( segid " " and resid 1937 and name HB3 )) 2.600 0.800 0.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.31592E-02 ppm1 8.211 ppm2 1.760 CV 1 ASSI { 435} (( segid " " and resid 1937 and name H )) (( segid " " and resid 1937 and name HG )) 4.500 2.500 1.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.85702E-03 ppm1 8.211 ppm2 1.623 CV 1 ASSI { 437} (( segid " " and resid 1936 and name H )) ( segid " " and resid 1934 and name HB% ) 4.000 2.000 2.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.84485E-03 ppm1 7.653 ppm2 1.345 CV 1 ASSI { 438} (( segid " " and resid 1936 and name H )) (( segid " " and resid 1937 and name HB2 )) 4.800 2.900 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.40424E-03 ppm1 7.656 ppm2 1.255 CV 1 ASSI { 439} (( segid " " and resid 1936 and name H )) ( segid " " and resid 1946 and name HG2%) 4.000 2.000 2.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.90349E-03 ppm1 7.654 ppm2 1.141 CV 1 ASSI { 440} (( segid " " and resid 1937 and name H )) (( segid " " and resid 1937 and name HB2 )) 2.600 0.800 0.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.36382E-02 ppm1 8.211 ppm2 1.245 CV 1 ASSI { 442} (( segid " " and resid 1867 and name H )) ( segid " " and resid 1866 and name HG2%) 2.800 1.000 1.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.58251E-02 ppm1 8.213 ppm2 0.931 CV 1 ASSI { 444} (( segid " " and resid 1936 and name H )) ( segid " " and resid 1950 and name HD1%) 5.000 3.100 1.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.19808E-03 ppm1 7.655 ppm2 0.790 CV 1 ASSI { 446} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1935 and name H )) 2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.29752E-02 ppm1 8.773 ppm2 8.208 CV 1 ASSI { 447} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1933 and name H )) 2.700 0.900 0.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.25568E-02 ppm1 8.772 ppm2 8.020 CV 1 ASSI { 448} (( segid " " and resid 1935 and name H )) (( segid " " and resid 1933 and name H )) 4.300 2.300 1.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.30924E-03 ppm1 8.208 ppm2 8.027 CV 1 ASSI { 449} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1936 and name H )) 3.900 1.900 1.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.51137E-03 ppm1 8.774 ppm2 7.661 CV 1 ASSI { 450} (( segid " " and resid 1935 and name H )) (( segid " " and resid 1936 and name H )) 2.700 0.900 0.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.32400E-02 ppm1 8.209 ppm2 7.652 CV 1 ASSI { 451} (( segid " " and resid 1935 and name H )) (( segid " " and resid 1938 and name H )) 4.800 2.900 1.200 peak 451 spectrum 1 weight 0.10000E+01 volume 0.18999E-03 ppm1 8.213 ppm2 7.930 CV 1 ASSI { 452} (( segid " " and resid 1935 and name H )) (( segid " " and resid 1933 and name HA )) 3.700 1.800 1.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.54775E-03 ppm1 8.209 ppm2 4.111 CV 1 ASSI { 453} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1933 and name HA )) 3.300 1.400 1.400 peak 453 spectrum 1 weight 0.10000E+01 volume 0.10935E-02 ppm1 8.772 ppm2 4.093 CV 1 ASSI { 455} (( segid " " and resid 1935 and name H )) (( segid " " and resid 1934 and name HA )) 3.500 1.600 1.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.77611E-03 ppm1 8.210 ppm2 3.915 CV 1 ASSI { 457} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1932 and name HA )) 4.400 2.500 1.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.23648E-03 ppm1 8.771 ppm2 3.815 CV 1 ASSI { 459} (( segid " " and resid 1935 and name H )) (( segid " " and resid 1931 and name HA )) 3.700 1.700 1.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.61647E-03 ppm1 8.207 ppm2 3.505 CV 1 ASSI { 460} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1950 and name HB3 )) 4.700 2.800 1.300 peak 460 spectrum 1 weight 0.10000E+01 volume 0.28701E-03 ppm1 8.774 ppm2 2.135 CV 1 ASSI { 461} (( segid " " and resid 1935 and name H )) (( segid " " and resid 1823 and name HB )) 4.500 2.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.41031E-03 ppm1 8.208 ppm2 2.127 CV 1 ASSI { 463} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1950 and name HG )) 4.200 2.200 1.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.63668E-03 ppm1 8.772 ppm2 1.556 CV 1 OR { 463} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1950 and name HB2 )) ASSI { 464} (( segid " " and resid 1935 and name H )) ( segid " " and resid 1936 and name HB% ) 4.100 2.100 1.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 8.210 ppm2 1.496 CV 1 ASSI { 466} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1933 and name HG3 )) 3.800 1.800 1.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.88933E-03 ppm1 8.772 ppm2 1.446 CV 1 ASSI { 468} (( segid " " and resid 1934 and name H )) ( segid " " and resid 1932 and name HG2%) 3.500 1.500 1.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.36180E-03 ppm1 8.774 ppm2 1.170 CV 1 ASSI { 469} (( segid " " and resid 1935 and name H )) ( segid " " and resid 1950 and name HD1%) 5.000 3.100 1.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.29307E-03 ppm1 8.204 ppm2 0.785 CV 1 ASSI { 470} (( segid " " and resid 1934 and name H )) ( segid " " and resid 1930 and name HD2%) 3.000 1.100 1.100 peak 470 spectrum 1 weight 0.10000E+01 volume 0.20576E-02 ppm1 8.773 ppm2 0.923 CV 1 ASSI { 473} (( segid " " and resid 1932 and name H )) (( segid " " and resid 1934 and name H )) 4.500 2.500 1.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.30520E-03 ppm1 7.714 ppm2 8.770 CV 1 ASSI { 474} (( segid " " and resid 1932 and name H )) (( segid " " and resid 1931 and name H )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.20313E-02 ppm1 7.714 ppm2 8.578 CV 1 ASSI { 476} (( segid " " and resid 1932 and name H )) (( segid " " and resid 1933 and name H )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.20131E-02 ppm1 7.715 ppm2 8.018 CV 1 ASSI { 477} (( segid " " and resid 1932 and name H )) (( segid " " and resid 1935 and name H )) 4.900 3.100 1.100 peak 477 spectrum 1 weight 0.10000E+01 volume 0.13744E-03 ppm1 7.714 ppm2 8.211 CV 1 ASSI { 478} (( segid " " and resid 1864 and name H )) (( segid " " and resid 1865 and name H )) 2.600 0.900 0.900 peak 478 spectrum 1 weight 0.10000E+01 volume 0.24012E-02 ppm1 8.015 ppm2 7.792 CV 1 ASSI { 479} (( segid " " and resid 1864 and name H )) (( segid " " and resid 1863 and name H )) 2.600 0.900 0.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.26963E-02 ppm1 8.016 ppm2 7.651 CV 1 ASSI { 482} (( segid " " and resid 1932 and name H )) (( segid " " and resid 1932 and name HB )) 2.600 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.34684E-02 ppm1 7.714 ppm2 4.324 CV 1 ASSI { 484} (( segid " " and resid 1933 and name H )) (( segid " " and resid 1933 and name HA )) 2.600 0.900 0.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.34926E-02 ppm1 8.018 ppm2 4.100 CV 1 ASSI { 485} (( segid " " and resid 1932 and name H )) (( segid " " and resid 1932 and name HA )) 2.700 0.900 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.31005E-02 ppm1 7.714 ppm2 3.817 CV 1 ASSI { 486} (( segid " " and resid 1864 and name H )) (( segid " " and resid 1864 and name HA )) 2.500 0.800 0.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.45316E-02 ppm1 8.016 ppm2 3.899 CV 1 ASSI { 488} (( segid " " and resid 1932 and name H )) (( segid " " and resid 1931 and name HA )) 3.500 1.500 1.500 peak 488 spectrum 1 weight 0.10000E+01 volume 0.71349E-03 ppm1 7.717 ppm2 3.499 CV 1 ASSI { 490} (( segid " " and resid 1864 and name H )) (( segid " " and resid 1864 and name HB )) 3.100 1.200 1.200 peak 490 spectrum 1 weight 0.10000E+01 volume 0.36483E-02 ppm1 8.016 ppm2 2.218 CV 1 ASSI { 491} (( segid " " and resid 1933 and name H )) (( segid " " and resid 1933 and name HB2 )) 2.300 0.700 0.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.49742E-02 ppm1 8.018 ppm2 2.012 CV 1 ASSI { 492} (( segid " " and resid 1932 and name H )) (( segid " " and resid 1931 and name HB )) 3.300 1.400 1.400 peak 492 spectrum 1 weight 0.10000E+01 volume 0.17241E-02 ppm1 7.714 ppm2 2.138 CV 1 ASSI { 493} (( segid " " and resid 1932 and name H )) (( segid " " and resid 1933 and name HB2 )) 5.300 3.500 0.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.19808E-03 ppm1 7.714 ppm2 2.004 CV 1 ASSI { 494} (( segid " " and resid 1933 and name H )) (( segid " " and resid 1933 and name HD2 )) 3.500 1.500 1.500 peak 494 spectrum 1 weight 0.10000E+01 volume 0.27933E-02 ppm1 8.019 ppm2 1.662 CV 1 ASSI { 495} (( segid " " and resid 1933 and name H )) ( segid " " and resid 1934 and name HB% ) 3.900 1.900 1.900 peak 495 spectrum 1 weight 0.10000E+01 volume 0.13178E-02 ppm1 8.019 ppm2 1.359 CV 1 ASSI { 496} (( segid " " and resid 1932 and name H )) ( segid " " and resid 1934 and name HB% ) 4.500 2.600 1.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.29105E-03 ppm1 7.714 ppm2 1.358 CV 1 ASSI { 497} (( segid " " and resid 1932 and name H )) ( segid " " and resid 1932 and name HG2%) 3.100 1.200 1.200 peak 497 spectrum 1 weight 0.10000E+01 volume 0.17868E-02 ppm1 7.715 ppm2 1.166 CV 1 ASSI { 498} (( segid " " and resid 1932 and name H )) ( segid " " and resid 1931 and name HG2%) 2.700 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.28297E-02 ppm1 7.714 ppm2 0.951 CV 1 ASSI { 503} (( segid " " and resid 1930 and name H )) (( segid " " and resid 1931 and name H )) 2.800 1.000 1.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.18939E-02 ppm1 7.941 ppm2 8.580 CV 1 ASSI { 506} (( segid " " and resid 1930 and name H )) (( segid " " and resid 1932 and name H )) 4.300 2.300 1.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.25063E-03 ppm1 7.939 ppm2 7.715 CV 1 ASSI { 507} (( segid " " and resid 1930 and name H )) (( segid " " and resid 1929 and name H )) 2.700 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.23971E-02 ppm1 7.939 ppm2 7.251 CV 1 ASSI { 508} (( segid " " and resid 1931 and name H )) (( segid " " and resid 1929 and name H )) 4.700 2.700 1.300 peak 508 spectrum 1 weight 0.10000E+01 volume 0.24659E-03 ppm1 8.585 ppm2 7.253 CV 1 ASSI { 509} (( segid " " and resid 1931 and name H )) (( segid " " and resid 1930 and name HA )) 3.600 1.600 1.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.69733E-03 ppm1 8.578 ppm2 4.028 CV 1 ASSI { 510} (( segid " " and resid 1931 and name H )) (( segid " " and resid 1928 and name HA )) 3.400 1.500 1.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.13866E-02 ppm1 8.580 ppm2 3.878 CV 1 ASSI { 512} (( segid " " and resid 1930 and name H )) (( segid " " and resid 1953 and name HB3 )) 4.100 2.100 1.900 peak 512 spectrum 1 weight 0.10000E+01 volume 0.35775E-03 ppm1 7.941 ppm2 2.735 CV 1 ASSI { 513} (( segid " " and resid 1931 and name H )) (( segid " " and resid 1931 and name HB )) 3.100 1.200 1.200 peak 513 spectrum 1 weight 0.10000E+01 volume 0.34381E-02 ppm1 8.580 ppm2 2.140 CV 1 ASSI { 514} (( segid " " and resid 1931 and name H )) (( segid " " and resid 1930 and name HB2 )) 3.500 1.500 1.500 peak 514 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 8.580 ppm2 1.935 CV 1 ASSI { 515} (( segid " " and resid 1931 and name H )) ( segid " " and resid 1871 and name HE% ) 4.800 2.900 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.22031E-03 ppm1 8.580 ppm2 1.800 CV 1 ASSI { 516} (( segid " " and resid 1930 and name H )) (( segid " " and resid 1930 and name HB2 )) 2.400 0.700 0.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.31308E-02 ppm1 7.941 ppm2 1.935 CV 1 ASSI { 517} (( segid " " and resid 1931 and name H )) (( segid " " and resid 1930 and name HB3 )) 2.600 0.900 0.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.19747E-02 ppm1 8.580 ppm2 1.399 CV 1 ASSI { 518} (( segid " " and resid 1930 and name H )) ( segid " " and resid 1957 and name HG2%) 3.100 1.200 1.200 peak 518 spectrum 1 weight 0.10000E+01 volume 0.35290E-02 ppm1 7.940 ppm2 0.920 CV 1 ASSI { 520} (( segid " " and resid 1930 and name H )) (( segid " " and resid 1928 and name H )) 4.200 2.200 1.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.34361E-03 ppm1 7.940 ppm2 8.478 CV 1 ASSI { 522} (( segid " " and resid 1929 and name H )) (( segid " " and resid 1928 and name H )) 2.700 0.900 0.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.25386E-02 ppm1 7.251 ppm2 8.479 CV 1 ASSI { 524} (( segid " " and resid 1928 and name H )) (( segid " " and resid 1927 and name H )) 2.900 1.000 1.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.20697E-02 ppm1 8.479 ppm2 8.702 CV 1 ASSI { 528} (( segid " " and resid 1929 and name H )) (( segid " " and resid 1928 and name HA )) 2.700 0.900 0.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.40869E-02 ppm1 7.252 ppm2 3.873 CV 1 ASSI { 531} (( segid " " and resid 1928 and name H )) (( segid " " and resid 1928 and name HA )) 2.200 0.600 0.600 peak 531 spectrum 1 weight 0.10000E+01 volume 0.89416E-02 ppm1 8.480 ppm2 3.867 CV 1 ASSI { 532} (( segid " " and resid 1928 and name H )) (( segid " " and resid 1927 and name HB2 )) 3.700 1.700 1.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.15482E-02 ppm1 8.480 ppm2 2.830 CV 1 ASSI { 533} (( segid " " and resid 1928 and name H )) (( segid " " and resid 1927 and name HB3 )) 2.800 1.000 1.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.15402E-02 ppm1 8.479 ppm2 2.228 CV 1 ASSI { 535} (( segid " " and resid 1929 and name H )) (( segid " " and resid 1930 and name HB3 )) 4.900 2.900 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.57200E-03 ppm1 7.251 ppm2 1.397 CV 1 ASSI { 537} (( segid " " and resid 1928 and name H )) ( segid " " and resid 1957 and name HG2%) 3.800 1.800 1.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.84891E-03 ppm1 8.481 ppm2 0.927 CV 1 ASSI { 538} (( segid " " and resid 1928 and name H )) ( segid " " and resid 1828 and name HG2%) 4.300 2.300 1.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.65485E-03 ppm1 8.481 ppm2 0.838 CV 1 ASSI { 539} (( segid " " and resid 1929 and name H )) ( segid " " and resid 1957 and name HG2%) 3.900 1.900 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.71548E-03 ppm1 7.253 ppm2 0.919 CV 1 ASSI { 540} (( segid " " and resid 1929 and name H )) ( segid " " and resid 1831 and name HG2%) 3.300 1.400 1.400 peak 540 spectrum 1 weight 0.10000E+01 volume 0.48307E-03 ppm1 7.250 ppm2 0.610 CV 1 ASSI { 545} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1926 and name H )) 3.700 1.700 1.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.48104E-03 ppm1 8.702 ppm2 7.779 CV 1 ASSI { 546} (( segid " " and resid 1926 and name H )) (( segid " " and resid 1925 and name H )) 3.900 1.900 1.900 peak 546 spectrum 1 weight 0.10000E+01 volume 0.31531E-03 ppm1 7.783 ppm2 7.584 CV 1 ASSI { 548} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1929 and name H )) 4.300 2.300 1.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.29914E-03 ppm1 8.700 ppm2 7.251 CV 1 ASSI { 550} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1926 and name HA2 )) 3.900 1.900 1.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.11097E-02 ppm1 8.700 ppm2 3.558 CV 1 ASSI { 551} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1927 and name HA )) 2.600 0.900 0.900 peak 551 spectrum 1 weight 0.10000E+01 volume 0.34765E-02 ppm1 8.701 ppm2 3.909 CV 1 ASSI { 552} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1924 and name HA3 )) 4.700 2.700 1.300 peak 552 spectrum 1 weight 0.10000E+01 volume 0.25063E-03 ppm1 8.705 ppm2 3.353 CV 1 ASSI { 554} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1927 and name HB2 )) 2.700 0.900 0.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.21930E-02 ppm1 8.701 ppm2 2.832 CV 1 ASSI { 555} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1927 and name HB3 )) 3.000 1.100 1.100 peak 555 spectrum 1 weight 0.10000E+01 volume 0.24881E-02 ppm1 8.701 ppm2 2.229 CV 1 ASSI { 556} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1923 and name HG )) 4.300 2.400 1.700 peak 556 spectrum 1 weight 0.10000E+01 volume 0.52754E-03 ppm1 8.700 ppm2 1.660 CV 1 ASSI { 557} (( segid " " and resid 1927 and name H )) ( segid " " and resid 1929 and name HB% ) 4.600 2.600 1.400 peak 557 spectrum 1 weight 0.10000E+01 volume 0.36382E-03 ppm1 8.698 ppm2 1.487 CV 1 ASSI { 558} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1930 and name HB3 )) 5.300 3.500 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.21425E-03 ppm1 8.696 ppm2 1.406 CV 1 ASSI { 559} (( segid " " and resid 1927 and name H )) ( segid " " and resid 1923 and name HD2%) 3.200 1.300 1.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.13784E-02 ppm1 8.701 ppm2 0.987 CV 1 ASSI { 560} (( segid " " and resid 1927 and name H )) ( segid " " and resid 1957 and name HG2%) 3.200 1.300 1.300 peak 560 spectrum 1 weight 0.10000E+01 volume 0.15199E-02 ppm1 8.701 ppm2 0.916 CV 1 ASSI { 562} (( segid " " and resid 1928 and name H )) ( segid " " and resid 1835 and name HD1%) 4.100 2.100 1.900 peak 562 spectrum 1 weight 0.10000E+01 volume 0.37392E-03 ppm1 8.482 ppm2 0.101 CV 1 ASSI { 563} (( segid " " and resid 1927 and name H )) ( segid " " and resid 1835 and name HD1%) 5.300 3.500 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.12329E-03 ppm1 8.699 ppm2 0.105 CV 1 ASSI { 564} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1927 and name H )) 4.900 3.000 1.100 peak 564 spectrum 1 weight 0.10000E+01 volume 0.21222E-03 ppm1 7.584 ppm2 8.694 CV 1 ASSI { 565} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1928 and name H )) 4.400 2.400 1.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.25467E-03 ppm1 7.589 ppm2 8.469 CV 1 ASSI { 566} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1922 and name H )) 4.200 2.200 1.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.25669E-03 ppm1 7.861 ppm2 8.444 CV 1 ASSI { 568} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1923 and name H )) 4.900 3.000 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.19606E-03 ppm1 7.587 ppm2 8.159 CV 1 ASSI { 569} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1924 and name H )) 3.000 1.100 1.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.17180E-02 ppm1 7.583 ppm2 7.855 CV 1 ASSI { 571} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1925 and name HD2 )) 3.300 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.10894E-02 ppm1 7.584 ppm2 6.945 CV 1 ASSI { 572} (( segid " " and resid 1924 and name H )) ( segid " " and resid 1893 and name HE% ) 3.300 1.300 1.300 peak 572 spectrum 1 weight 0.10000E+01 volume 0.11784E-02 ppm1 7.857 ppm2 6.639 CV 1 ASSI { 574} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1922 and name HA )) 3.300 1.400 1.400 peak 574 spectrum 1 weight 0.10000E+01 volume 0.11258E-02 ppm1 7.584 ppm2 4.081 CV 1 ASSI { 576} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1920 and name HA )) 3.900 1.900 1.900 peak 576 spectrum 1 weight 0.10000E+01 volume 0.47902E-03 ppm1 7.852 ppm2 3.595 CV 1 ASSI { 578} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1921 and name HA )) 3.800 1.800 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.51945E-03 ppm1 7.583 ppm2 3.858 CV 1 ASSI { 579} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1926 and name HA2 )) 5.700 4.100 0.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.18595E-03 ppm1 7.588 ppm2 3.573 CV 1 ASSI { 580} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1924 and name HA3 )) 3.000 1.100 1.100 peak 580 spectrum 1 weight 0.10000E+01 volume 0.10652E-02 ppm1 7.583 ppm2 3.352 CV 1 ASSI { 581} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1924 and name HA3 )) 2.600 0.800 0.800 peak 581 spectrum 1 weight 0.10000E+01 volume 0.22213E-02 ppm1 7.856 ppm2 3.352 CV 1 ASSI { 582} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1925 and name HB2 )) 2.500 0.800 0.800 peak 582 spectrum 1 weight 0.10000E+01 volume 0.38828E-02 ppm1 7.584 ppm2 3.040 CV 1 ASSI { 583} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1925 and name HB2 )) 5.100 3.200 0.900 peak 583 spectrum 1 weight 0.10000E+01 volume 0.20212E-03 ppm1 7.859 ppm2 3.036 CV 1 ASSI { 584} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1923 and name HB2 )) 3.300 1.400 1.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.97622E-03 ppm1 7.856 ppm2 2.400 CV 1 ASSI { 585} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1924 and name HA2 )) 3.000 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.22718E-02 ppm1 7.856 ppm2 2.230 CV 1 ASSI { 586} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1922 and name HB2 )) 5.000 3.100 1.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.24053E-03 ppm1 7.857 ppm2 1.935 CV 1 ASSI { 588} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1924 and name HA2 )) 3.700 1.700 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 7.583 ppm2 2.231 CV 1 ASSI { 589} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1923 and name HB3 )) 3.700 1.700 1.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.63466E-03 ppm1 7.857 ppm2 1.462 CV 1 ASSI { 590} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1923 and name HG )) 4.400 2.400 1.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.46892E-03 ppm1 7.853 ppm2 1.659 CV 1 ASSI { 591} (( segid " " and resid 1925 and name H )) ( segid " " and resid 1835 and name HG2%) 4.100 2.100 1.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.48913E-03 ppm1 7.583 ppm2 0.792 CV 1 ASSI { 592} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1835 and name HG12)) 4.300 2.300 1.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.41233E-03 ppm1 7.580 ppm2 0.939 CV 1 ASSI { 593} (( segid " " and resid 1924 and name H )) ( segid " " and resid 1923 and name HD2%) 3.700 1.700 1.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.13421E-02 ppm1 7.856 ppm2 0.991 CV 1 ASSI { 596} (( segid " " and resid 1925 and name H )) ( segid " " and resid 1831 and name HG2%) 4.600 2.700 1.400 peak 596 spectrum 1 weight 0.10000E+01 volume 0.32542E-03 ppm1 7.582 ppm2 0.599 CV 1 ASSI { 599} (( segid " " and resid 1923 and name H )) (( segid " " and resid 1921 and name H )) 4.500 2.500 1.500 peak 599 spectrum 1 weight 0.10000E+01 volume 0.20010E-03 ppm1 8.157 ppm2 9.016 CV 1 ASSI { 600} (( segid " " and resid 1922 and name H )) (( segid " " and resid 1921 and name H )) 2.700 0.900 0.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.16755E-02 ppm1 8.439 ppm2 9.017 CV 1 ASSI { 601} (( segid " " and resid 1923 and name H )) (( segid " " and resid 1922 and name H )) 2.800 1.000 1.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.16755E-02 ppm1 8.155 ppm2 8.433 CV 1 ASSI { 603} (( segid " " and resid 1835 and name H )) (( segid " " and resid 1836 and name H )) 2.800 1.000 1.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 8.444 ppm2 8.277 CV 1 ASSI { 606} (( segid " " and resid 1923 and name H )) (( segid " " and resid 1924 and name H )) 2.900 1.000 1.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.16311E-02 ppm1 8.156 ppm2 7.853 CV 1 ASSI { 608} (( segid " " and resid 1828 and name H )) (( segid " " and resid 1827 and name H )) 2.900 1.000 1.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.16271E-02 ppm1 8.152 ppm2 7.669 CV 1 ASSI { 609} (( segid " " and resid 1923 and name H )) ( segid " " and resid 1893 and name HE% ) 4.700 2.800 1.300 peak 609 spectrum 1 weight 0.10000E+01 volume 0.25063E-03 ppm1 8.157 ppm2 6.634 CV 1 ASSI { 610} (( segid " " and resid 1835 and name H )) ( segid " " and resid 1893 and name HE% ) 4.400 2.400 1.600 peak 610 spectrum 1 weight 0.10000E+01 volume 0.31531E-03 ppm1 8.442 ppm2 6.637 CV 1 ASSI { 611} (( segid " " and resid 1922 and name H )) (( segid " " and resid 1918 and name HA )) 3.800 1.800 1.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.21829E-03 ppm1 8.436 ppm2 4.602 CV 1 ASSI { 613} (( segid " " and resid 1922 and name H )) (( segid " " and resid 1921 and name HA )) 3.500 1.500 1.500 peak 613 spectrum 1 weight 0.10000E+01 volume 0.65691E-03 ppm1 8.440 ppm2 3.845 CV 1 ASSI { 614} (( segid " " and resid 1923 and name H )) (( segid " " and resid 1923 and name HA )) 2.700 0.900 0.900 peak 614 spectrum 1 weight 0.10000E+01 volume 0.27710E-02 ppm1 8.157 ppm2 4.085 CV 1 ASSI { 617} (( segid " " and resid 1828 and name H )) (( segid " " and resid 1825 and name HA2 )) 4.500 2.600 1.500 peak 617 spectrum 1 weight 0.10000E+01 volume 0.25265E-03 ppm1 8.151 ppm2 3.719 CV 1 ASSI { 619} (( segid " " and resid 1828 and name H )) (( segid " " and resid 1828 and name HA )) 2.900 1.000 1.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.18615E-02 ppm1 8.153 ppm2 3.425 CV 1 ASSI { 623} (( segid " " and resid 1828 and name H )) (( segid " " and resid 1829 and name HB3 )) 5.700 4.100 0.300 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15766E-03 ppm1 8.150 ppm2 2.736 CV 1 ASSI { 624} (( segid " " and resid 1828 and name H )) (( segid " " and resid 1827 and name HG2 )) 3.600 1.600 1.600 peak 624 spectrum 1 weight 0.10000E+01 volume 0.72765E-03 ppm1 8.152 ppm2 2.613 CV 1 OR { 624} (( segid " " and resid 1828 and name H )) (( segid " " and resid 1827 and name HG3 )) ASSI { 625} (( segid " " and resid 1923 and name H )) (( segid " " and resid 1923 and name HB2 )) 2.500 0.800 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.26256E-02 ppm1 8.156 ppm2 2.405 CV 1 ASSI { 626} (( segid " " and resid 1828 and name H )) (( segid " " and resid 1827 and name HB3 )) 3.400 1.400 1.400 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15705E-02 ppm1 8.154 ppm2 2.314 CV 1 ASSI { 627} (( segid " " and resid 1923 and name H )) (( segid " " and resid 1922 and name HG3 )) 3.700 1.700 1.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.17847E-02 ppm1 8.154 ppm2 2.220 CV 1 ASSI { 628} (( segid " " and resid 1923 and name H )) (( segid " " and resid 1922 and name HB2 )) 2.800 1.000 1.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.12834E-02 ppm1 8.156 ppm2 1.929 CV 1 ASSI { 629} (( segid " " and resid 1835 and name H )) (( segid " " and resid 1835 and name HG13)) 2.500 0.800 0.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.18939E-02 ppm1 8.442 ppm2 2.060 CV 1 ASSI { 632} (( segid " " and resid 1923 and name H )) (( segid " " and resid 1923 and name HG )) 3.300 1.400 1.400 peak 632 spectrum 1 weight 0.10000E+01 volume 0.10065E-02 ppm1 8.156 ppm2 1.660 CV 1 ASSI { 633} (( segid " " and resid 1923 and name H )) (( segid " " and resid 1923 and name HB3 )) 3.400 1.500 1.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.22355E-02 ppm1 8.156 ppm2 1.460 CV 1 ASSI { 634} (( segid " " and resid 1835 and name H )) (( segid " " and resid 1835 and name HG12)) 3.900 1.900 1.900 peak 634 spectrum 1 weight 0.10000E+01 volume 0.14876E-02 ppm1 8.440 ppm2 0.951 CV 1 ASSI { 636} (( segid " " and resid 1835 and name H )) ( segid " " and resid 1831 and name HG2%) 4.300 2.300 1.700 peak 636 spectrum 1 weight 0.10000E+01 volume 0.44264E-03 ppm1 8.445 ppm2 0.596 CV 1 ASSI { 638} (( segid " " and resid 1828 and name H )) ( segid " " and resid 1828 and name HG2%) 3.700 1.700 1.700 peak 638 spectrum 1 weight 0.10000E+01 volume 0.21506E-02 ppm1 8.153 ppm2 0.843 CV 1 ASSI { 641} (( segid " " and resid 1921 and name H )) (( segid " " and resid 1920 and name H )) 2.700 0.900 0.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 9.017 ppm2 8.523 CV 1 ASSI { 644} (( segid " " and resid 1920 and name H )) (( segid " " and resid 1923 and name H )) 4.700 2.700 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.20212E-03 ppm1 8.528 ppm2 8.158 CV 1 ASSI { 646} (( segid " " and resid 1921 and name H )) (( segid " " and resid 1924 and name H )) 4.900 3.000 1.100 peak 646 spectrum 1 weight 0.10000E+01 volume 0.13542E-03 ppm1 9.020 ppm2 7.865 CV 1 ASSI { 647} (( segid " " and resid 1921 and name H )) (( segid " " and resid 1921 and name HE21)) 4.600 2.600 1.400 peak 647 spectrum 1 weight 0.10000E+01 volume 0.30318E-03 ppm1 9.016 ppm2 7.256 CV 1 ASSI { 649} (( segid " " and resid 1920 and name H )) (( segid " " and resid 1918 and name HA )) 4.600 2.700 1.400 peak 649 spectrum 1 weight 0.10000E+01 volume 0.18393E-03 ppm1 8.524 ppm2 4.598 CV 1 ASSI { 650} (( segid " " and resid 1920 and name H )) (( segid " " and resid 1919 and name HA )) 3.800 1.800 1.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.37392E-03 ppm1 8.524 ppm2 4.116 CV 1 ASSI { 652} (( segid " " and resid 1920 and name H )) (( segid " " and resid 1920 and name HA )) 2.800 1.000 1.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.25952E-02 ppm1 8.523 ppm2 3.603 CV 1 ASSI { 653} (( segid " " and resid 1921 and name H )) (( segid " " and resid 1920 and name HA )) 3.200 1.200 1.200 peak 653 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 9.015 ppm2 3.600 CV 1 ASSI { 657} (( segid " " and resid 1920 and name H )) (( segid " " and resid 1921 and name HB2 )) 5.300 3.500 0.700 peak 657 spectrum 1 weight 0.10000E+01 volume 0.15766E-03 ppm1 8.523 ppm2 2.570 CV 1 ASSI { 658} (( segid " " and resid 1921 and name H )) (( segid " " and resid 1920 and name HB )) 2.700 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.20899E-02 ppm1 9.018 ppm2 2.259 CV 1 ASSI { 659} (( segid " " and resid 1921 and name H )) (( segid " " and resid 1921 and name HG3 )) 3.200 1.300 1.300 peak 659 spectrum 1 weight 0.10000E+01 volume 0.33350E-02 ppm1 9.017 ppm2 2.126 CV 1 ASSI { 660} (( segid " " and resid 1920 and name H )) (( segid " " and resid 1920 and name HB )) 2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.36261E-02 ppm1 8.523 ppm2 2.258 CV 1 ASSI { 661} (( segid " " and resid 1920 and name H )) (( segid " " and resid 1919 and name HB3 )) 3.800 1.900 1.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.83069E-03 ppm1 8.524 ppm2 1.966 CV 1 ASSI { 662} (( segid " " and resid 1920 and name H )) (( segid " " and resid 1919 and name HB2 )) 3.200 1.300 1.300 peak 662 spectrum 1 weight 0.10000E+01 volume 0.70744E-03 ppm1 8.524 ppm2 1.769 CV 1 ASSI { 663} (( segid " " and resid 1921 and name H )) (( segid " " and resid 1919 and name HB2 )) 4.800 2.900 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.22436E-03 ppm1 9.014 ppm2 1.759 CV 1 ASSI { 664} (( segid " " and resid 1921 and name H )) ( segid " " and resid 1900 and name HB% ) 3.500 3.500 2.500 peak 664 spectrum 1 weight 0.10000E+01 volume 0.36382E-03 ppm1 9.016 ppm2 1.389 CV 1 ASSI { 665} (( segid " " and resid 1920 and name H )) ( segid " " and resid 1900 and name HB% ) 4.700 2.700 1.300 peak 665 spectrum 1 weight 0.10000E+01 volume 0.73975E-03 ppm1 8.523 ppm2 1.389 CV 1 ASSI { 667} (( segid " " and resid 1920 and name H )) ( segid " " and resid 1920 and name HG1%) 3.700 1.700 1.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.19363E-02 ppm1 8.524 ppm2 0.797 CV 1 ASSI { 669} (( segid " " and resid 1921 and name H )) ( segid " " and resid 1835 and name HG2%) 3.900 1.900 1.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.16574E-02 ppm1 9.018 ppm2 0.796 CV 1 ASSI { 670} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1920 and name H )) 2.700 0.900 0.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.21829E-02 ppm1 8.620 ppm2 8.525 CV 1 ASSI { 671} (( segid " " and resid 1832 and name H )) (( segid " " and resid 1831 and name H )) 2.900 1.000 1.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.17585E-02 ppm1 8.606 ppm2 8.304 CV 1 ASSI { 672} (( segid " " and resid 1832 and name H )) (( segid " " and resid 1833 and name H )) 2.900 1.000 1.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.19282E-02 ppm1 8.608 ppm2 8.197 CV 1 ASSI { 673} (( segid " " and resid 1918 and name H )) (( segid " " and resid 1916 and name H )) 4.400 2.500 1.600 peak 673 spectrum 1 weight 0.10000E+01 volume 0.20818E-03 ppm1 8.671 ppm2 8.060 CV 1 ASSI { 674} (( segid " " and resid 1918 and name H )) (( segid " " and resid 1917 and name H )) 2.700 0.900 0.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.23749E-02 ppm1 8.672 ppm2 7.888 CV 1 ASSI { 675} (( segid " " and resid 1832 and name H )) (( segid " " and resid 1830 and name H )) 4.500 2.500 1.500 peak 675 spectrum 1 weight 0.10000E+01 volume 0.32946E-03 ppm1 8.611 ppm2 7.834 CV 1 ASSI { 676} (( segid " " and resid 1832 and name H )) (( segid " " and resid 1834 and name H )) 4.200 2.200 1.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.32542E-03 ppm1 8.608 ppm2 7.776 CV 1 ASSI { 679} (( segid " " and resid 1832 and name H )) (( segid " " and resid 1832 and name HB )) 2.600 0.900 0.900 peak 679 spectrum 1 weight 0.10000E+01 volume 0.35412E-02 ppm1 8.607 ppm2 4.340 CV 1 ASSI { 682} (( segid " " and resid 1832 and name H )) (( segid " " and resid 1831 and name HA )) 3.800 1.800 1.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.49318E-03 ppm1 8.605 ppm2 3.799 CV 1 ASSI { 683} (( segid " " and resid 1918 and name H )) (( segid " " and resid 1917 and name HA )) 3.300 1.400 1.400 peak 683 spectrum 1 weight 0.10000E+01 volume 0.10288E-02 ppm1 8.672 ppm2 3.602 CV 1 ASSI { 684} (( segid " " and resid 1832 and name H )) (( segid " " and resid 1828 and name HA )) 4.000 2.000 2.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.54370E-03 ppm1 8.608 ppm2 3.422 CV 1 ASSI { 685} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1918 and name HB2 )) 2.800 1.000 1.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.27994E-02 ppm1 8.620 ppm2 3.278 CV 1 OR { 685} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1918 and name HB3 )) ASSI { 687} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1920 and name HB )) 4.600 2.700 1.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.41839E-03 ppm1 8.618 ppm2 2.262 CV 1 ASSI { 688} (( segid " " and resid 1832 and name H )) (( segid " " and resid 1831 and name HG13)) 4.000 2.000 2.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.10086E-02 ppm1 8.608 ppm2 2.088 CV 1 ASSI { 691} (( segid " " and resid 1918 and name H )) (( segid " " and resid 1917 and name HB2 )) 3.100 1.200 1.200 peak 691 spectrum 1 weight 0.10000E+01 volume 0.19444E-02 ppm1 8.671 ppm2 1.853 CV 1 ASSI { 692} (( segid " " and resid 1918 and name H )) (( segid " " and resid 1917 and name HB3 )) 3.300 1.400 1.400 peak 692 spectrum 1 weight 0.10000E+01 volume 0.21101E-02 ppm1 8.672 ppm2 1.749 CV 1 ASSI { 693} (( segid " " and resid 1918 and name H )) ( segid " " and resid 1914 and name HB% ) 3.800 1.800 1.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.84485E-03 ppm1 8.673 ppm2 1.402 CV 1 ASSI { 695} (( segid " " and resid 1919 and name H )) ( segid " " and resid 1967 and name HB% ) 3.900 1.900 1.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.98433E-03 ppm1 8.621 ppm2 1.398 CV 1 ASSI { 699} (( segid " " and resid 1832 and name H )) ( segid " " and resid 1828 and name HG2%) 3.500 1.600 1.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.87923E-03 ppm1 8.610 ppm2 0.838 CV 1 ASSI { 701} (( segid " " and resid 1918 and name H )) ( segid " " and resid 1916 and name HG2%) 4.600 2.600 1.400 peak 701 spectrum 1 weight 0.10000E+01 volume 0.34158E-03 ppm1 8.673 ppm2 0.768 CV 1 ASSI { 702} (( segid " " and resid 1832 and name H )) ( segid " " and resid 1835 and name HD1%) 4.500 2.500 1.500 peak 702 spectrum 1 weight 0.10000E+01 volume 0.41233E-03 ppm1 8.605 ppm2 0.101 CV 1 ASSI { 705} (( segid " " and resid 1917 and name H )) (( segid " " and resid 1916 and name H )) 2.800 1.000 1.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.17443E-02 ppm1 7.887 ppm2 8.059 CV 1 ASSI { 710} (( segid " " and resid 1916 and name H )) (( segid " " and resid 1913 and name HA2 )) 3.500 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.54370E-03 ppm1 8.063 ppm2 3.592 CV 1 ASSI { 714} (( segid " " and resid 1917 and name H )) (( segid " " and resid 1918 and name HB2 )) 4.700 2.700 1.300 peak 714 spectrum 1 weight 0.10000E+01 volume 0.40627E-03 ppm1 7.884 ppm2 3.272 CV 1 ASSI { 715} (( segid " " and resid 1917 and name H )) (( segid " " and resid 1916 and name HB )) 2.500 0.800 0.800 peak 715 spectrum 1 weight 0.10000E+01 volume 0.29146E-02 ppm1 7.889 ppm2 2.036 CV 1 ASSI { 718} (( segid " " and resid 1917 and name H )) (( segid " " and resid 1917 and name HG3 )) 3.200 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.16736E-02 ppm1 7.888 ppm2 1.602 CV 1 ASSI { 719} (( segid " " and resid 1916 and name H )) (( segid " " and resid 1916 and name HB )) 2.300 0.600 0.600 peak 719 spectrum 1 weight 0.10000E+01 volume 0.68600E-02 ppm1 8.062 ppm2 2.037 CV 1 ASSI { 722} (( segid " " and resid 1917 and name H )) ( segid " " and resid 1920 and name HG2%) 3.600 1.700 1.700 peak 722 spectrum 1 weight 0.10000E+01 volume 0.10369E-02 ppm1 7.890 ppm2 0.975 CV 1 ASSI { 726} (( segid " " and resid 1916 and name H )) (( segid " " and resid 1916 and name HG13)) 2.800 1.000 1.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.16755E-02 ppm1 8.059 ppm2 0.682 CV 1 OR { 726} (( segid " " and resid 1916 and name H )) (( segid " " and resid 1916 and name HG12)) ASSI { 728} (( segid " " and resid 1915 and name H )) (( segid " " and resid 1916 and name H )) 2.700 0.900 0.900 peak 728 spectrum 1 weight 0.10000E+01 volume 0.22557E-02 ppm1 7.969 ppm2 8.066 CV 1 ASSI { 729} (( segid " " and resid 1914 and name H )) (( segid " " and resid 1913 and name H )) 2.700 0.900 0.900 peak 729 spectrum 1 weight 0.10000E+01 volume 0.27974E-02 ppm1 8.214 ppm2 8.095 CV 1 ASSI { 730} (( segid " " and resid 1914 and name H )) (( segid " " and resid 1915 and name H )) 2.600 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.35533E-02 ppm1 8.214 ppm2 7.964 CV 1 ASSI { 731} (( segid " " and resid 1915 and name H )) (( segid " " and resid 1915 and name HD2 )) 4.700 2.800 1.300 peak 731 spectrum 1 weight 0.10000E+01 volume 0.34765E-03 ppm1 7.968 ppm2 7.025 CV 1 ASSI { 734} (( segid " " and resid 1914 and name H )) (( segid " " and resid 1913 and name HA3 )) 2.800 1.000 1.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.24012E-02 ppm1 8.213 ppm2 4.078 CV 1 ASSI { 735} (( segid " " and resid 1914 and name H )) (( segid " " and resid 1914 and name HA )) 2.500 0.800 0.800 peak 735 spectrum 1 weight 0.10000E+01 volume 0.51925E-02 ppm1 8.214 ppm2 3.962 CV 1 ASSI { 736} (( segid " " and resid 1915 and name H )) (( segid " " and resid 1914 and name HA )) 3.300 1.300 1.300 peak 736 spectrum 1 weight 0.10000E+01 volume 0.12896E-02 ppm1 7.968 ppm2 3.965 CV 1 ASSI { 744} (( segid " " and resid 1914 and name H )) (( segid " " and resid 1912 and name HB )) 4.900 3.000 1.100 peak 744 spectrum 1 weight 0.10000E+01 volume 0.34967E-03 ppm1 8.217 ppm2 1.652 CV 1 ASSI { 747} (( segid " " and resid 1915 and name H )) (( segid " " and resid 1917 and name HG2 )) 4.600 2.700 1.400 peak 747 spectrum 1 weight 0.10000E+01 volume 0.21829E-03 ppm1 7.979 ppm2 1.130 CV 1 ASSI { 748} (( segid " " and resid 1915 and name H )) ( segid " " and resid 1916 and name HD1%) 5.000 3.100 1.000 peak 748 spectrum 1 weight 0.10000E+01 volume 0.27084E-03 ppm1 7.967 ppm2 0.980 CV 1 ASSI { 750} (( segid " " and resid 1914 and name H )) ( segid " " and resid 1916 and name HD1%) 5.600 3.900 0.400 peak 750 spectrum 1 weight 0.10000E+01 volume 0.14351E-03 ppm1 8.213 ppm2 0.986 CV 1 ASSI { 751} (( segid " " and resid 1914 and name H )) ( segid " " and resid 1912 and name HG2%) 4.900 3.000 1.100 peak 751 spectrum 1 weight 0.10000E+01 volume 0.26680E-03 ppm1 8.214 ppm2 0.834 CV 1 ASSI { 752} (( segid " " and resid 1914 and name H )) ( segid " " and resid 1912 and name HD1%) 5.200 3.400 0.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.20212E-03 ppm1 8.214 ppm2 0.756 CV 1 ASSI { 753} (( segid " " and resid 1915 and name H )) ( segid " " and resid 1912 and name HG2%) 4.500 2.600 1.500 peak 753 spectrum 1 weight 0.10000E+01 volume 0.28903E-03 ppm1 7.967 ppm2 0.830 CV 1 ASSI { 754} (( segid " " and resid 1915 and name H )) ( segid " " and resid 1912 and name HD1%) 5.000 3.100 1.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.29105E-03 ppm1 7.968 ppm2 0.753 CV 1 ASSI { 755} (( segid " " and resid 1912 and name H )) (( segid " " and resid 1911 and name H )) 2.500 0.800 0.800 peak 755 spectrum 1 weight 0.10000E+01 volume 0.35896E-02 ppm1 7.948 ppm2 8.236 CV 1 ASSI { 756} (( segid " " and resid 1912 and name H )) (( segid " " and resid 1913 and name H )) 2.700 0.900 0.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.29408E-02 ppm1 7.947 ppm2 8.089 CV 1 ASSI { 759} (( segid " " and resid 1913 and name H )) (( segid " " and resid 1909 and name H )) 3.900 1.900 1.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.17180E-03 ppm1 8.099 ppm2 7.402 CV 1 ASSI { 761} (( segid " " and resid 1912 and name H )) (( segid " " and resid 1910 and name HA )) 4.000 2.000 2.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.44264E-03 ppm1 7.952 ppm2 4.088 CV 1 ASSI { 762} (( segid " " and resid 1823 and name H )) (( segid " " and resid 1823 and name HA )) 2.700 0.900 0.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.35492E-02 ppm1 7.934 ppm2 3.981 CV 1 ASSI { 763} (( segid " " and resid 1912 and name H )) (( segid " " and resid 1912 and name HA )) 2.700 0.900 0.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.26963E-02 ppm1 7.949 ppm2 3.795 CV 1 ASSI { 764} (( segid " " and resid 1913 and name H )) (( segid " " and resid 1912 and name HA )) 3.700 1.700 1.700 peak 764 spectrum 1 weight 0.10000E+01 volume 0.57200E-03 ppm1 8.096 ppm2 3.798 CV 1 ASSI { 768} (( segid " " and resid 1823 and name H )) (( segid " " and resid 1823 and name HB )) 2.800 1.000 1.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.35068E-02 ppm1 7.933 ppm2 2.123 CV 1 ASSI { 769} (( segid " " and resid 1912 and name H )) (( segid " " and resid 1911 and name HB2 )) 2.700 0.900 0.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.24598E-02 ppm1 7.950 ppm2 1.983 CV 1 ASSI { 772} (( segid " " and resid 1913 and name H )) ( segid " " and resid 1907 and name HB% ) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.15705E-02 ppm1 8.097 ppm2 1.131 CV 1 ASSI { 773} (( segid " " and resid 1823 and name H )) ( segid " " and resid 1823 and name HG1%) 2.600 0.800 0.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.56675E-02 ppm1 7.932 ppm2 0.925 CV 1 ASSI { 777} (( segid " " and resid 1913 and name H )) ( segid " " and resid 1912 and name HD1%) 4.900 3.000 1.100 peak 777 spectrum 1 weight 0.10000E+01 volume 0.43052E-03 ppm1 8.101 ppm2 0.754 CV 1 ASSI { 778} (( segid " " and resid 1911 and name H )) (( segid " " and resid 1910 and name H )) 3.300 1.400 1.400 peak 778 spectrum 1 weight 0.10000E+01 volume 0.79233E-03 ppm1 8.240 ppm2 8.944 CV 1 ASSI { 781} (( segid " " and resid 1911 and name H )) (( segid " " and resid 1913 and name H )) 4.200 2.200 1.800 peak 781 spectrum 1 weight 0.10000E+01 volume 0.36988E-03 ppm1 8.242 ppm2 8.099 CV 1 ASSI { 789} (( segid " " and resid 1911 and name H )) (( segid " " and resid 1909 and name HB2 )) 4.700 2.800 1.300 peak 789 spectrum 1 weight 0.10000E+01 volume 0.32946E-03 ppm1 8.240 ppm2 2.682 CV 1 ASSI { 791} (( segid " " and resid 1910 and name H )) (( segid " " and resid 1909 and name HB2 )) 4.300 2.300 1.700 peak 791 spectrum 1 weight 0.10000E+01 volume 0.46083E-03 ppm1 8.944 ppm2 2.682 CV 1 ASSI { 794} (( segid " " and resid 1911 and name H )) (( segid " " and resid 1910 and name HB3 )) 2.200 0.600 0.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.90407E-02 ppm1 8.239 ppm2 2.001 CV 1 ASSI { 795} (( segid " " and resid 1911 and name H )) ( segid " " and resid 1914 and name HB% ) 4.500 2.500 1.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.44871E-03 ppm1 8.242 ppm2 1.401 CV 1 ASSI { 796} (( segid " " and resid 1911 and name H )) (( segid " " and resid 1912 and name HG12)) 4.400 2.400 1.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.44467E-03 ppm1 8.240 ppm2 1.133 CV 1 ASSI { 797} (( segid " " and resid 1911 and name H )) ( segid " " and resid 1912 and name HD1%) 5.100 3.200 0.900 peak 797 spectrum 1 weight 0.10000E+01 volume 0.28499E-03 ppm1 8.241 ppm2 0.753 CV 1 ASSI { 798} (( segid " " and resid 1907 and name H )) (( segid " " and resid 1906 and name H )) 2.700 0.900 0.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.32359E-02 ppm1 7.308 ppm2 8.020 CV 1 ASSI { 799} (( segid " " and resid 1908 and name H )) (( segid " " and resid 1909 and name H )) 3.100 1.200 1.200 peak 799 spectrum 1 weight 0.10000E+01 volume 0.13885E-02 ppm1 8.064 ppm2 7.401 CV 1 ASSI { 800} (( segid " " and resid 1908 and name H )) (( segid " " and resid 1907 and name H )) 4.100 2.100 1.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.95402E-03 ppm1 8.064 ppm2 7.307 CV 1 ASSI { 801} (( segid " " and resid 1907 and name H )) (( segid " " and resid 1905 and name H )) 4.000 2.000 2.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.64274E-03 ppm1 7.310 ppm2 7.099 CV 1 ASSI { 802} (( segid " " and resid 1821 and name H )) (( segid " " and resid 1821 and name HA )) 2.600 0.900 0.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.46083E-02 ppm1 8.062 ppm2 4.181 CV 1 ASSI { 805} (( segid " " and resid 1907 and name H )) (( segid " " and resid 1904 and name HA )) 3.300 1.400 1.400 peak 805 spectrum 1 weight 0.10000E+01 volume 0.99849E-03 ppm1 7.309 ppm2 3.892 CV 1 ASSI { 806} (( segid " " and resid 1907 and name H )) (( segid " " and resid 1905 and name HA )) 3.900 1.900 1.900 peak 806 spectrum 1 weight 0.10000E+01 volume 0.43254E-03 ppm1 7.310 ppm2 3.743 CV 1 ASSI { 807} (( segid " " and resid 1907 and name H )) (( segid " " and resid 1907 and name HA )) 2.800 0.900 0.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.32319E-02 ppm1 7.308 ppm2 3.397 CV 1 ASSI { 809} (( segid " " and resid 1908 and name H )) (( segid " " and resid 1908 and name HG2 )) 3.500 1.500 1.500 peak 809 spectrum 1 weight 0.10000E+01 volume 0.92570E-03 ppm1 8.063 ppm2 2.243 CV 1 ASSI { 810} (( segid " " and resid 1908 and name H )) (( segid " " and resid 1908 and name HB2 )) 2.500 0.800 0.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.38140E-02 ppm1 8.063 ppm2 1.956 CV 1 ASSI { 811} (( segid " " and resid 1907 and name H )) (( segid " " and resid 1905 and name HB )) 3.900 1.900 1.900 peak 811 spectrum 1 weight 0.10000E+01 volume 0.19201E-03 ppm1 7.310 ppm2 2.059 CV 1 ASSI { 812} (( segid " " and resid 1907 and name H )) (( segid " " and resid 1846 and name HG3 )) 3.800 1.800 1.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.22638E-03 ppm1 7.308 ppm2 1.949 CV 1 ASSI { 814} (( segid " " and resid 1907 and name H )) ( segid " " and resid 1904 and name HB% ) 4.500 2.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.37999E-03 ppm1 7.311 ppm2 1.452 CV 1 ASSI { 817} (( segid " " and resid 1907 and name H )) ( segid " " and resid 1905 and name HG2%) 3.400 1.500 1.500 peak 817 spectrum 1 weight 0.10000E+01 volume 0.40627E-03 ppm1 7.307 ppm2 0.934 CV 1 ASSI { 818} (( segid " " and resid 1907 and name H )) ( segid " " and resid 1912 and name HG2%) 5.200 3.300 0.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.31935E-03 ppm1 7.309 ppm2 0.832 CV 1 ASSI { 819} (( segid " " and resid 1908 and name H )) ( segid " " and resid 1912 and name HG2%) 4.600 2.600 1.400 peak 819 spectrum 1 weight 0.10000E+01 volume 0.25872E-03 ppm1 8.067 ppm2 0.836 CV 1 ASSI { 820} (( segid " " and resid 1908 and name H )) ( segid " " and resid 1912 and name HD1%) 5.100 3.300 0.900 peak 820 spectrum 1 weight 0.10000E+01 volume 0.21829E-03 ppm1 8.063 ppm2 0.753 CV 1 ASSI { 822} (( segid " " and resid 1905 and name H )) (( segid " " and resid 1906 and name H )) 2.600 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.34765E-02 ppm1 7.091 ppm2 8.012 CV 1 ASSI { 823} (( segid " " and resid 1904 and name H )) (( segid " " and resid 1906 and name H )) 4.200 2.200 1.800 peak 823 spectrum 1 weight 0.10000E+01 volume 0.35169E-03 ppm1 7.786 ppm2 8.009 CV 1 ASSI { 824} (( segid " " and resid 1904 and name H )) (( segid " " and resid 1903 and name H )) 2.800 1.000 1.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.23547E-02 ppm1 7.785 ppm2 7.376 CV 1 ASSI { 826} (( segid " " and resid 1904 and name H )) (( segid " " and resid 1905 and name H )) 2.700 0.900 0.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.30459E-02 ppm1 7.785 ppm2 7.090 CV 1 ASSI { 827} (( segid " " and resid 1905 and name H )) (( segid " " and resid 1904 and name HA )) 3.600 1.600 1.600 peak 827 spectrum 1 weight 0.10000E+01 volume 0.70943E-03 ppm1 7.091 ppm2 3.891 CV 1 ASSI { 830} (( segid " " and resid 1904 and name H )) (( segid " " and resid 1901 and name HA )) 3.300 1.400 1.400 peak 830 spectrum 1 weight 0.10000E+01 volume 0.95807E-03 ppm1 7.784 ppm2 4.049 CV 1 ASSI { 833} (( segid " " and resid 1904 and name H )) (( segid " " and resid 1905 and name HA )) 5.400 3.700 0.600 peak 833 spectrum 1 weight 0.10000E+01 volume 0.17382E-03 ppm1 7.786 ppm2 3.748 CV 1 ASSI { 840} (( segid " " and resid 1905 and name H )) ( segid " " and resid 1904 and name HB% ) 2.800 1.000 1.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.27387E-02 ppm1 7.091 ppm2 1.448 CV 1 ASSI { 841} (( segid " " and resid 1905 and name H )) ( segid " " and resid 1903 and name HB% ) 4.600 2.700 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.40222E-03 ppm1 7.091 ppm2 1.255 CV 1 ASSI { 842} (( segid " " and resid 1904 and name H )) ( segid " " and resid 1904 and name HB% ) 2.400 0.700 0.700 peak 842 spectrum 1 weight 0.10000E+01 volume 0.71612E-02 ppm1 7.785 ppm2 1.449 CV 1 ASSI { 844} (( segid " " and resid 1904 and name H )) ( segid " " and resid 1906 and name HB% ) 4.700 2.700 1.300 peak 844 spectrum 1 weight 0.10000E+01 volume 0.26882E-03 ppm1 7.787 ppm2 1.567 CV 1 ASSI { 845} (( segid " " and resid 1904 and name H )) ( segid " " and resid 1907 and name HB% ) 4.300 2.300 1.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.46083E-03 ppm1 7.786 ppm2 1.137 CV 1 ASSI { 848} (( segid " " and resid 1903 and name H )) (( segid " " and resid 1901 and name H )) 4.000 2.000 2.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.47296E-03 ppm1 7.376 ppm2 7.034 CV 1 ASSI { 849} (( segid " " and resid 1903 and name H )) ( segid " " and resid 1853 and name HD% ) 4.200 2.300 1.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.37594E-03 ppm1 7.375 ppm2 6.957 CV 1 ASSI { 850} (( segid " " and resid 1903 and name H )) ( segid " " and resid 1853 and name HE% ) 5.000 3.100 1.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.17180E-03 ppm1 7.361 ppm2 6.665 CV 1 ASSI { 852} (( segid " " and resid 1903 and name H )) (( segid " " and resid 1902 and name HD2 )) 3.000 1.100 1.100 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10389E-02 ppm1 7.375 ppm2 4.009 CV 1 ASSI { 857} (( segid " " and resid 1903 and name H )) (( segid " " and resid 1902 and name HB2 )) 2.700 0.900 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.23789E-02 ppm1 7.376 ppm2 1.920 CV 1 ASSI { 858} (( segid " " and resid 1903 and name H )) (( segid " " and resid 1902 and name HG2 )) 3.200 1.300 1.300 peak 858 spectrum 1 weight 0.10000E+01 volume 0.22759E-02 ppm1 7.376 ppm2 1.848 CV 1 ASSI { 859} (( segid " " and resid 1903 and name H )) ( segid " " and resid 1906 and name HB% ) 4.500 2.600 1.500 peak 859 spectrum 1 weight 0.10000E+01 volume 0.40020E-03 ppm1 7.376 ppm2 1.562 CV 1 ASSI { 860} (( segid " " and resid 1903 and name H )) ( segid " " and resid 1904 and name HB% ) 4.500 2.500 1.500 peak 860 spectrum 1 weight 0.10000E+01 volume 0.63668E-03 ppm1 7.374 ppm2 1.442 CV 1 ASSI { 862} (( segid " " and resid 1903 and name H )) ( segid " " and resid 1916 and name HD1%) 5.400 3.600 0.600 peak 862 spectrum 1 weight 0.10000E+01 volume 0.25872E-03 ppm1 7.373 ppm2 1.002 CV 1 ASSI { 863} (( segid " " and resid 1903 and name H )) ( segid " " and resid 1838 and name HD2%) 4.800 2.900 1.200 peak 863 spectrum 1 weight 0.10000E+01 volume 0.20818E-03 ppm1 7.376 ppm2 0.931 CV 1 ASSI { 864} (( segid " " and resid 1903 and name H )) ( segid " " and resid 1916 and name HG2%) 5.300 3.600 0.700 peak 864 spectrum 1 weight 0.10000E+01 volume 0.18595E-03 ppm1 7.374 ppm2 0.773 CV 1 ASSI { 867} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1897 and name H )) 4.500 2.500 1.500 peak 867 spectrum 1 weight 0.10000E+01 volume 0.32340E-03 ppm1 7.618 ppm2 8.489 CV 1 ASSI { 868} (( segid " " and resid 1900 and name H )) (( segid " " and resid 1899 and name H )) 2.600 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.33673E-02 ppm1 7.833 ppm2 7.615 CV 1 ASSI { 871} (( segid " " and resid 1900 and name H )) (( segid " " and resid 1901 and name H )) 2.900 1.000 1.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 7.834 ppm2 7.028 CV 1 ASSI { 872} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1901 and name H )) 5.000 3.100 1.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.16372E-03 ppm1 7.615 ppm2 7.031 CV 1 ASSI { 875} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1899 and name HA )) 2.600 0.900 0.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.33714E-02 ppm1 7.616 ppm2 4.128 CV 1 ASSI { 878} (( segid " " and resid 1900 and name H )) (( segid " " and resid 1902 and name HD2 )) 3.600 1.600 1.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.65285E-03 ppm1 7.831 ppm2 4.006 CV 1 ASSI { 883} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1899 and name HB2 )) 2.600 0.900 0.900 peak 883 spectrum 1 weight 0.10000E+01 volume 0.23749E-02 ppm1 7.616 ppm2 2.177 CV 1 ASSI { 884} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1899 and name HB3 )) 3.500 1.500 1.500 peak 884 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 7.617 ppm2 2.072 CV 1 ASSI { 885} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1902 and name HG2 )) 4.900 3.000 1.100 peak 885 spectrum 1 weight 0.10000E+01 volume 0.29509E-03 ppm1 7.610 ppm2 1.857 CV 1 OR { 885} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1902 and name HG3 )) ASSI { 886} (( segid " " and resid 1899 and name H )) ( segid " " and resid 1857 and name HE% ) 4.000 2.000 2.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.56796E-03 ppm1 7.617 ppm2 1.784 CV 1 ASSI { 888} (( segid " " and resid 1901 and name H )) (( segid " " and resid 1901 and name HB2 )) 2.600 0.800 0.800 peak 888 spectrum 1 weight 0.10000E+01 volume 0.26619E-02 ppm1 7.027 ppm2 1.947 CV 1 ASSI { 889} (( segid " " and resid 1901 and name H )) (( segid " " and resid 1901 and name HB3 )) 3.200 1.300 1.300 peak 889 spectrum 1 weight 0.10000E+01 volume 0.29105E-02 ppm1 7.028 ppm2 1.820 CV 1 ASSI { 891} (( segid " " and resid 1899 and name H )) ( segid " " and resid 1900 and name HB% ) 4.000 2.000 2.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.10611E-02 ppm1 7.617 ppm2 1.380 CV 1 ASSI { 894} (( segid " " and resid 1901 and name H )) ( segid " " and resid 1903 and name HB% ) 4.500 2.600 1.500 peak 894 spectrum 1 weight 0.10000E+01 volume 0.27893E-03 ppm1 7.030 ppm2 1.261 CV 1 ASSI { 896} (( segid " " and resid 1899 and name H )) ( segid " " and resid 1897 and name HB% ) 4.200 2.200 1.800 peak 896 spectrum 1 weight 0.10000E+01 volume 0.66901E-03 ppm1 7.617 ppm2 0.979 CV 1 ASSI { 897} (( segid " " and resid 1898 and name H )) (( segid " " and resid 1897 and name H )) 2.700 0.900 0.900 peak 897 spectrum 1 weight 0.10000E+01 volume 0.29186E-02 ppm1 7.847 ppm2 8.482 CV 1 ASSI { 898} (( segid " " and resid 1898 and name H )) (( segid " " and resid 1896 and name H )) 4.600 2.600 1.400 peak 898 spectrum 1 weight 0.10000E+01 volume 0.17180E-03 ppm1 7.847 ppm2 8.096 CV 1 ASSI { 899} (( segid " " and resid 1897 and name H )) (( segid " " and resid 1896 and name H )) 2.700 0.900 0.900 peak 899 spectrum 1 weight 0.10000E+01 volume 0.26195E-02 ppm1 8.484 ppm2 8.094 CV 1 ASSI { 901} (( segid " " and resid 1897 and name H )) (( segid " " and resid 1895 and name H )) 4.400 2.400 1.600 peak 901 spectrum 1 weight 0.10000E+01 volume 0.33956E-03 ppm1 8.487 ppm2 7.700 CV 1 ASSI { 903} (( segid " " and resid 1898 and name H )) (( segid " " and resid 1899 and name H )) 2.600 0.900 0.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.30965E-02 ppm1 7.847 ppm2 7.615 CV 1 ASSI { 904} (( segid " " and resid 1898 and name H )) (( segid " " and resid 1898 and name HB2 )) 2.400 0.700 0.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.77495E-02 ppm1 7.847 ppm2 3.991 CV 1 OR { 904} (( segid " " and resid 1898 and name H )) (( segid " " and resid 1898 and name HB3 )) ASSI { 905} (( segid " " and resid 1897 and name H )) (( segid " " and resid 1896 and name HA )) 3.200 1.300 1.300 peak 905 spectrum 1 weight 0.10000E+01 volume 0.15280E-02 ppm1 8.484 ppm2 3.954 CV 1 ASSI { 908} (( segid " " and resid 1898 and name H )) (( segid " " and resid 1897 and name HA )) 3.400 1.400 1.400 peak 908 spectrum 1 weight 0.10000E+01 volume 0.88328E-03 ppm1 7.847 ppm2 3.675 CV 1 ASSI { 911} (( segid " " and resid 1898 and name H )) (( segid " " and resid 1899 and name HB2 )) 5.200 3.400 0.800 peak 911 spectrum 1 weight 0.10000E+01 volume 0.19808E-03 ppm1 7.850 ppm2 2.178 CV 1 ASSI { 912} (( segid " " and resid 1897 and name H )) (( segid " " and resid 1896 and name HB3 )) 2.800 1.000 1.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.29126E-02 ppm1 8.483 ppm2 1.797 CV 1 ASSI { 914} (( segid " " and resid 1897 and name H )) ( segid " " and resid 1834 and name HB% ) 5.200 3.300 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.51137E-03 ppm1 8.484 ppm2 1.578 CV 1 ASSI { 916} (( segid " " and resid 1898 and name H )) ( segid " " and resid 1900 and name HB% ) 3.800 1.800 1.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.63870E-03 ppm1 7.847 ppm2 1.375 CV 1 ASSI { 917} (( segid " " and resid 1899 and name H )) ( segid " " and resid 1856 and name HG2%) 5.500 3.800 0.500 peak 917 spectrum 1 weight 0.10000E+01 volume 0.16170E-03 ppm1 7.619 ppm2 1.138 CV 1 ASSI { 918} (( segid " " and resid 1897 and name H )) ( segid " " and resid 1860 and name HG2%) 3.300 3.300 2.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.46892E-03 ppm1 8.485 ppm2 1.150 CV 1 ASSI { 921} (( segid " " and resid 1898 and name H )) ( segid " " and resid 1920 and name HG1%) 4.800 2.900 1.200 peak 921 spectrum 1 weight 0.10000E+01 volume 0.45477E-03 ppm1 7.844 ppm2 0.799 CV 1 ASSI { 922} (( segid " " and resid 1896 and name H )) (( segid " " and resid 1895 and name H )) 2.700 0.900 0.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.24699E-02 ppm1 8.097 ppm2 7.700 CV 1 ASSI { 925} (( segid " " and resid 1895 and name H )) (( segid " " and resid 1893 and name H )) 4.200 2.200 1.800 peak 925 spectrum 1 weight 0.10000E+01 volume 0.35573E-03 ppm1 7.703 ppm2 9.130 CV 1 ASSI { 926} (( segid " " and resid 1896 and name H )) (( segid " " and resid 1893 and name H )) 4.800 2.900 1.200 peak 926 spectrum 1 weight 0.10000E+01 volume 0.17180E-03 ppm1 8.096 ppm2 9.131 CV 1 ASSI { 927} (( segid " " and resid 1895 and name H )) (( segid " " and resid 1892 and name HA )) 3.100 1.200 1.200 peak 927 spectrum 1 weight 0.10000E+01 volume 0.16331E-02 ppm1 7.702 ppm2 4.522 CV 1 ASSI { 928} (( segid " " and resid 1896 and name H )) (( segid " " and resid 1892 and name HA )) 4.500 2.500 1.500 peak 928 spectrum 1 weight 0.10000E+01 volume 0.29307E-03 ppm1 8.098 ppm2 4.521 CV 1 ASSI { 929} (( segid " " and resid 1896 and name H )) (( segid " " and resid 1896 and name HA )) 2.700 0.900 0.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.26983E-02 ppm1 8.097 ppm2 3.949 CV 1 ASSI { 930} (( segid " " and resid 1896 and name H )) (( segid " " and resid 1893 and name HA )) 3.200 1.300 1.300 peak 930 spectrum 1 weight 0.10000E+01 volume 0.10834E-02 ppm1 8.097 ppm2 3.813 CV 1 ASSI { 932} (( segid " " and resid 1895 and name H )) (( segid " " and resid 1894 and name HA3 )) 2.800 1.000 1.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.24154E-02 ppm1 7.701 ppm2 3.901 CV 1 ASSI { 934} (( segid " " and resid 1895 and name H )) (( segid " " and resid 1895 and name HD2 )) 4.400 2.400 1.600 peak 934 spectrum 1 weight 0.10000E+01 volume 0.53360E-03 ppm1 7.702 ppm2 3.171 CV 1 OR { 934} (( segid " " and resid 1895 and name H )) (( segid " " and resid 1895 and name HD3 )) ASSI { 935} (( segid " " and resid 1896 and name H )) (( segid " " and resid 1896 and name HB3 )) 3.100 1.200 1.200 peak 935 spectrum 1 weight 0.10000E+01 volume 0.33936E-02 ppm1 8.097 ppm2 1.799 CV 1 ASSI { 936} (( segid " " and resid 1895 and name H )) (( segid " " and resid 1895 and name HB3 )) 3.200 1.300 1.300 peak 936 spectrum 1 weight 0.10000E+01 volume 0.40788E-02 ppm1 7.701 ppm2 1.974 CV 1 ASSI { 937} (( segid " " and resid 1895 and name H )) (( segid " " and resid 1895 and name HG2 )) 3.300 1.300 1.300 peak 937 spectrum 1 weight 0.10000E+01 volume 0.28297E-02 ppm1 7.702 ppm2 1.770 CV 1 ASSI { 938} (( segid " " and resid 1896 and name H )) (( segid " " and resid 1895 and name HG3 )) 4.900 3.000 1.100 peak 938 spectrum 1 weight 0.10000E+01 volume 0.27488E-03 ppm1 8.100 ppm2 1.555 CV 1 ASSI { 943} (( segid " " and resid 1895 and name H )) (( segid " " and resid 1896 and name HB2 )) 4.400 2.400 1.600 peak 943 spectrum 1 weight 0.10000E+01 volume 0.57200E-03 ppm1 7.702 ppm2 1.371 CV 1 ASSI { 946} (( segid " " and resid 1895 and name H )) ( segid " " and resid 1897 and name HB% ) 4.300 2.300 1.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.41031E-03 ppm1 7.700 ppm2 0.980 CV 1 ASSI { 947} (( segid " " and resid 1894 and name H )) (( segid " " and resid 1892 and name H )) 5.000 3.100 1.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.12329E-03 ppm1 8.064 ppm2 8.751 CV 1 ASSI { 948} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1892 and name H )) 2.800 1.000 1.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.25912E-02 ppm1 9.129 ppm2 8.751 CV 1 ASSI { 950} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1894 and name H )) 2.700 0.900 0.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.29793E-02 ppm1 9.129 ppm2 8.058 CV 1 ASSI { 952} (( segid " " and resid 1894 and name H )) (( segid " " and resid 1895 and name H )) 2.700 0.900 0.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.26700E-02 ppm1 8.058 ppm2 7.700 CV 1 ASSI { 953} (( segid " " and resid 1893 and name H )) ( segid " " and resid 1893 and name HD% ) 4.500 2.600 1.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.67107E-03 ppm1 9.128 ppm2 6.783 CV 1 ASSI { 954} (( segid " " and resid 1894 and name H )) ( segid " " and resid 1893 and name HD% ) 3.900 1.900 1.900 peak 954 spectrum 1 weight 0.10000E+01 volume 0.51339E-03 ppm1 8.059 ppm2 6.782 CV 1 ASSI { 955} (( segid " " and resid 1894 and name H )) (( segid " " and resid 1892 and name HA )) 4.800 2.800 1.200 peak 955 spectrum 1 weight 0.10000E+01 volume 0.15159E-03 ppm1 8.059 ppm2 4.520 CV 1 ASSI { 958} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1891 and name HA )) 4.500 2.500 1.500 peak 958 spectrum 1 weight 0.10000E+01 volume 0.22436E-03 ppm1 9.130 ppm2 4.161 CV 1 ASSI { 959} (( segid " " and resid 1894 and name H )) (( segid " " and resid 1891 and name HA )) 3.300 1.300 1.300 peak 959 spectrum 1 weight 0.10000E+01 volume 0.10632E-02 ppm1 8.058 ppm2 4.164 CV 1 ASSI { 960} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1894 and name HA3 )) 4.100 2.100 1.900 peak 960 spectrum 1 weight 0.10000E+01 volume 0.10611E-02 ppm1 9.129 ppm2 3.905 CV 1 ASSI { 961} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1893 and name HA )) 2.800 1.000 1.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.26660E-02 ppm1 9.130 ppm2 3.811 CV 1 ASSI { 962} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1890 and name HA )) 3.400 1.400 1.400 peak 962 spectrum 1 weight 0.10000E+01 volume 0.91965E-03 ppm1 9.130 ppm2 3.533 CV 1 ASSI { 964} (( segid " " and resid 1894 and name H )) (( segid " " and resid 1890 and name HA )) 3.900 1.900 1.900 peak 964 spectrum 1 weight 0.10000E+01 volume 0.40020E-03 ppm1 8.055 ppm2 3.533 CV 1 ASSI { 965} (( segid " " and resid 1894 and name H )) (( segid " " and resid 1894 and name HA2 )) 2.800 1.000 1.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.43557E-02 ppm1 8.058 ppm2 3.373 CV 1 ASSI { 968} (( segid " " and resid 1894 and name H )) (( segid " " and resid 1893 and name HB3 )) 2.900 1.000 1.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.16190E-02 ppm1 8.058 ppm2 2.845 CV 1 ASSI { 969} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1893 and name HB2 )) 2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.31227E-02 ppm1 9.129 ppm2 3.058 CV 1 ASSI { 970} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1893 and name HB3 )) 2.600 0.800 0.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.33694E-02 ppm1 9.129 ppm2 2.843 CV 1 ASSI { 971} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1892 and name HB3 )) 3.600 1.600 1.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.15482E-02 ppm1 9.130 ppm2 2.759 CV 1 ASSI { 972} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1896 and name HB3 )) 5.100 3.300 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.30116E-03 ppm1 9.137 ppm2 1.795 CV 1 ASSI { 974} (( segid " " and resid 1894 and name H )) (( segid " " and resid 1895 and name HG2 )) 5.100 3.300 0.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.32340E-03 ppm1 8.059 ppm2 1.775 CV 1 ASSI { 975} (( segid " " and resid 1893 and name H )) ( segid " " and resid 1890 and name HG2%) 3.800 1.800 1.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.22233E-03 ppm1 9.126 ppm2 1.264 CV 1 ASSI { 976} (( segid " " and resid 1894 and name H )) ( segid " " and resid 1890 and name HG2%) 3.500 1.600 1.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.32137E-03 ppm1 8.058 ppm2 1.261 CV 1 ASSI { 977} (( segid " " and resid 1893 and name H )) ( segid " " and resid 1860 and name HG2%) 4.200 2.200 1.800 peak 977 spectrum 1 weight 0.10000E+01 volume 0.48509E-03 ppm1 9.130 ppm2 1.143 CV 1 ASSI { 978} (( segid " " and resid 1893 and name H )) ( segid " " and resid 1889 and name HD1%) 3.700 1.700 1.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.94185E-03 ppm1 9.129 ppm2 1.002 CV 1 ASSI { 979} (( segid " " and resid 1893 and name H )) ( segid " " and resid 1864 and name HG2%) 3.300 1.300 1.300 peak 979 spectrum 1 weight 0.10000E+01 volume 0.17767E-02 ppm1 9.129 ppm2 0.815 CV 1 ASSI { 980} (( segid " " and resid 1893 and name H )) ( segid " " and resid 1864 and name HD1%) 4.600 2.600 1.400 peak 980 spectrum 1 weight 0.10000E+01 volume 0.33350E-03 ppm1 9.128 ppm2 0.711 CV 1 ASSI { 981} (( segid " " and resid 1894 and name H )) ( segid " " and resid 1831 and name HG2%) 3.900 1.900 1.900 peak 981 spectrum 1 weight 0.10000E+01 volume 0.18393E-03 ppm1 8.055 ppm2 0.612 CV 1 ASSI { 982} (( segid " " and resid 1894 and name H )) ( segid " " and resid 1897 and name HB% ) 4.100 2.100 1.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.68517E-03 ppm1 8.058 ppm2 0.990 CV 1 ASSI { 983} (( segid " " and resid 1894 and name H )) ( segid " " and resid 1864 and name HG2%) 4.200 2.200 1.800 peak 983 spectrum 1 weight 0.10000E+01 volume 0.59626E-03 ppm1 8.058 ppm2 0.817 CV 1 ASSI { 986} (( segid " " and resid 1892 and name H )) (( segid " " and resid 1888 and name HE21)) 3.600 3.600 2.400 peak 986 spectrum 1 weight 0.10000E+01 volume 0.27488E-03 ppm1 8.753 ppm2 7.687 CV 1 ASSI { 987} (( segid " " and resid 1892 and name H )) (( segid " " and resid 1892 and name HA )) 2.700 0.900 0.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.33067E-02 ppm1 8.752 ppm2 4.522 CV 1 ASSI { 988} (( segid " " and resid 1892 and name H )) (( segid " " and resid 1889 and name HA )) 3.400 1.500 1.500 peak 988 spectrum 1 weight 0.10000E+01 volume 0.90755E-03 ppm1 8.752 ppm2 4.274 CV 1 ASSI { 990} (( segid " " and resid 1891 and name H )) (( segid " " and resid 1890 and name HB )) 2.500 0.800 0.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.41778E-02 ppm1 8.116 ppm2 4.381 CV 1 ASSI { 991} (( segid " " and resid 1891 and name H )) (( segid " " and resid 1890 and name HA )) 3.500 1.500 1.500 peak 991 spectrum 1 weight 0.10000E+01 volume 0.84286E-03 ppm1 8.115 ppm2 3.533 CV 1 ASSI { 992} (( segid " " and resid 1892 and name H )) (( segid " " and resid 1892 and name HB2 )) 2.600 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.28964E-02 ppm1 8.752 ppm2 2.335 CV 1 ASSI { 993} (( segid " " and resid 1891 and name H )) (( segid " " and resid 1892 and name HB2 )) 4.500 2.500 1.500 peak 993 spectrum 1 weight 0.10000E+01 volume 0.36988E-03 ppm1 8.117 ppm2 2.354 CV 1 ASSI { 994} (( segid " " and resid 1891 and name H )) (( segid " " and resid 1888 and name HB3 )) 3.600 1.600 1.600 peak 994 spectrum 1 weight 0.10000E+01 volume 0.29509E-03 ppm1 8.118 ppm2 2.226 CV 1 OR { 994} (( segid " " and resid 1891 and name H )) (( segid " " and resid 1888 and name HB2 )) ASSI { 997} (( segid " " and resid 1892 and name H )) ( segid " " and resid 1889 and name HD1%) 4.500 2.500 1.500 peak 997 spectrum 1 weight 0.10000E+01 volume 0.45679E-03 ppm1 8.752 ppm2 1.005 CV 1 ASSI { 998} (( segid " " and resid 1892 and name H )) ( segid " " and resid 1864 and name HG2%) 4.900 3.000 1.100 peak 998 spectrum 1 weight 0.10000E+01 volume 0.58008E-03 ppm1 8.752 ppm2 0.817 CV 1 ASSI { 999} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1889 and name H )) 2.800 1.000 1.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.15624E-02 ppm1 8.035 ppm2 8.603 CV 1 ASSI { 1000} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1892 and name H )) 4.800 2.800 1.200 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.20616E-03 ppm1 8.034 ppm2 8.749 CV 1 ASSI { 1001} (( segid " " and resid 1889 and name H )) (( segid " " and resid 1887 and name H )) 4.300 2.300 1.700 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.35169E-03 ppm1 8.602 ppm2 8.233 CV 1 ASSI { 1002} (( segid " " and resid 1889 and name H )) (( segid " " and resid 1888 and name H )) 2.600 0.800 0.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.30459E-02 ppm1 8.602 ppm2 7.994 CV 1 ASSI { 1003} (( segid " " and resid 1889 and name H )) (( segid " " and resid 1890 and name HB )) 4.900 3.000 1.100 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.28297E-03 ppm1 8.604 ppm2 4.389 CV 1 ASSI { 1005} (( segid " " and resid 1889 and name H )) (( segid " " and resid 1888 and name HA )) 3.300 1.400 1.400 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.11804E-02 ppm1 8.602 ppm2 3.928 CV 1 ASSI { 1007} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1890 and name HB )) 2.500 0.800 0.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.41576E-02 ppm1 8.035 ppm2 4.383 CV 1 ASSI { 1009} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1888 and name HA )) 3.900 1.900 1.900 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.46083E-03 ppm1 8.036 ppm2 3.923 CV 1 ASSI { 1011} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1890 and name HA )) 2.900 1.000 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.18535E-02 ppm1 8.035 ppm2 3.534 CV 1 ASSI { 1013} (( segid " " and resid 1889 and name H )) (( segid " " and resid 1888 and name HB3 )) 2.400 0.700 0.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.29550E-02 ppm1 8.603 ppm2 2.231 CV 1 ASSI { 1014} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1892 and name HB2 )) 4.500 2.600 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.20212E-03 ppm1 8.033 ppm2 2.354 CV 1 ASSI { 1015} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1888 and name HB3 )) 4.500 2.500 1.500 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.33552E-03 ppm1 8.038 ppm2 2.230 CV 1 ASSI { 1016} (( segid " " and resid 1889 and name H )) (( segid " " and resid 1889 and name HB3 )) 2.700 0.900 0.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.29105E-02 ppm1 8.603 ppm2 1.951 CV 1 ASSI { 1017} (( segid " " and resid 1889 and name H )) ( segid " " and resid 1871 and name HE% ) 4.300 2.300 1.700 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.36988E-03 ppm1 8.604 ppm2 1.800 CV 1 ASSI { 1018} (( segid " " and resid 1889 and name H )) (( segid " " and resid 1889 and name HB2 )) 2.400 0.700 0.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.31915E-02 ppm1 8.603 ppm2 1.578 CV 1 ASSI { 1023} (( segid " " and resid 1890 and name H )) ( segid " " and resid 1931 and name HG1%) 3.500 1.500 1.500 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.85902E-03 ppm1 8.036 ppm2 0.993 CV 1 ASSI { 1025} (( segid " " and resid 1890 and name H )) ( segid " " and resid 1831 and name HD1%) 4.800 2.900 1.200 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.33754E-03 ppm1 8.035 ppm2 0.639 CV 1 ASSI { 1028} (( segid " " and resid 1888 and name H )) (( segid " " and resid 1886 and name H )) 4.300 2.300 1.700 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.40424E-03 ppm1 7.983 ppm2 8.458 CV 1 ASSI { 1030} (( segid " " and resid 1887 and name H )) (( segid " " and resid 1886 and name H )) 2.600 0.800 0.800 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.30156E-02 ppm1 8.234 ppm2 8.456 CV 1 ASSI { 1031} (( segid " " and resid 1887 and name H )) (( segid " " and resid 1888 and name H )) 2.600 0.800 0.800 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.31551E-02 ppm1 8.235 ppm2 7.982 CV 1 ASSI { 1032} (( segid " " and resid 1887 and name H )) (( segid " " and resid 1885 and name H )) 4.000 2.000 2.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.33148E-03 ppm1 8.235 ppm2 7.240 CV 1 ASSI { 1034} (( segid " " and resid 1888 and name H )) (( segid " " and resid 1884 and name HA )) 3.900 1.900 1.900 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.74985E-03 ppm1 7.982 ppm2 4.270 CV 1 ASSI { 1035} (( segid " " and resid 1888 and name H )) (( segid " " and resid 1885 and name HA )) 3.000 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.15684E-02 ppm1 7.982 ppm2 4.109 CV 1 ASSI { 1044} (( segid " " and resid 1837 and name H )) (( segid " " and resid 1833 and name HG3 )) 4.000 2.000 2.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.38605E-03 ppm1 8.236 ppm2 2.362 CV 1 ASSI { 1046} (( segid " " and resid 1888 and name H )) (( segid " " and resid 1889 and name HB2 )) 5.300 3.600 0.700 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.21425E-03 ppm1 7.977 ppm2 1.575 CV 1 ASSI { 1047} (( segid " " and resid 1888 and name H )) ( segid " " and resid 1886 and name HB% ) 4.500 2.600 1.500 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.43456E-03 ppm1 7.982 ppm2 1.459 CV 1 ASSI { 1048} (( segid " " and resid 1888 and name H )) (( segid " " and resid 1885 and name HB3 )) 4.600 2.700 1.400 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.23244E-03 ppm1 7.981 ppm2 1.265 CV 1 ASSI { 1049} (( segid " " and resid 1888 and name H )) ( segid " " and resid 1867 and name HG2%) 4.500 2.500 1.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.53764E-03 ppm1 7.980 ppm2 1.176 CV 1 ASSI { 1050} (( segid " " and resid 1887 and name H )) (( segid " " and resid 1885 and name HB3 )) 4.900 3.100 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.21222E-03 ppm1 8.240 ppm2 1.279 CV 1 ASSI { 1051} (( segid " " and resid 1888 and name H )) ( segid " " and resid 1885 and name HD2%) 4.400 2.400 1.600 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.58615E-03 ppm1 7.980 ppm2 0.930 CV 1 ASSI { 1054} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1888 and name H )) 5.000 3.100 1.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.14957E-03 ppm1 7.241 ppm2 7.986 CV 1 ASSI { 1055} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1883 and name H )) 4.200 2.200 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.35169E-03 ppm1 7.235 ppm2 7.800 CV 1 ASSI { 1058} (( segid " " and resid 1886 and name H )) (( segid " " and resid 1883 and name H )) 4.600 2.700 1.400 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.17989E-03 ppm1 8.459 ppm2 7.799 CV 1 ASSI { 1059} (( segid " " and resid 1886 and name H )) (( segid " " and resid 1885 and name H )) 2.600 0.800 0.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.31895E-02 ppm1 8.455 ppm2 7.235 CV 1 ASSI { 1060} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1881 and name HA )) 3.900 1.900 1.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.83681E-03 ppm1 7.236 ppm2 4.268 CV 1 ASSI { 1064} (( segid " " and resid 1886 and name H )) (( segid " " and resid 1882 and name HA )) 3.600 1.700 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.59019E-03 ppm1 8.455 ppm2 3.955 CV 1 ASSI { 1066} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1884 and name HD2 )) 2.900 1.000 1.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.12552E-02 ppm1 7.236 ppm2 3.660 CV 1 ASSI { 1068} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1888 and name HB3 )) 4.700 2.700 1.300 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.33350E-03 ppm1 7.237 ppm2 2.234 CV 1 ASSI { 1069} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1885 and name HG )) 2.200 0.600 0.600 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.62840E-02 ppm1 7.237 ppm2 1.857 CV 1 OR { 1069} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1885 and name HB2 )) ASSI { 1070} (( segid " " and resid 1886 and name H )) (( segid " " and resid 1885 and name HB2 )) 2.500 0.800 0.800 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.24174E-02 ppm1 8.455 ppm2 1.855 CV 1 ASSI { 1073} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1885 and name HB3 )) 3.500 1.600 1.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.18029E-02 ppm1 7.237 ppm2 1.275 CV 1 ASSI { 1075} (( segid " " and resid 1886 and name H )) (( segid " " and resid 1885 and name HB3 )) 3.700 1.700 1.700 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.14088E-02 ppm1 8.454 ppm2 1.273 CV 1 ASSI { 1076} (( segid " " and resid 1886 and name H )) ( segid " " and resid 1867 and name HG2%) 4.600 2.600 1.400 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.33956E-03 ppm1 8.451 ppm2 1.182 CV 1 ASSI { 1080} (( segid " " and resid 1886 and name H )) ( segid " " and resid 1885 and name HD1%) 3.100 1.200 1.200 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.73170E-03 ppm1 8.454 ppm2 0.750 CV 1 ASSI { 1082} (( segid " " and resid 1882 and name H )) (( segid " " and resid 1880 and name H )) 4.100 2.100 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.44062E-03 ppm1 7.834 ppm2 9.463 CV 1 ASSI { 1085} (( segid " " and resid 1883 and name H )) (( segid " " and resid 1938 and name HE21)) 4.400 2.400 1.600 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.25872E-03 ppm1 7.794 ppm2 6.669 CV 1 ASSI { 1086} (( segid " " and resid 1881 and name H )) (( segid " " and resid 1881 and name HA )) 2.500 0.800 0.800 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.44527E-02 ppm1 8.072 ppm2 4.254 CV 1 ASSI { 1087} (( segid " " and resid 1883 and name H )) (( segid " " and resid 1881 and name HA )) 3.500 1.600 1.600 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.99038E-03 ppm1 7.796 ppm2 4.258 CV 1 ASSI { 1089} (( segid " " and resid 1883 and name H )) (( segid " " and resid 1883 and name HA3 )) 2.400 0.700 0.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.43375E-02 ppm1 7.795 ppm2 4.080 CV 1 ASSI { 1090} (( segid " " and resid 1883 and name H )) (( segid " " and resid 1882 and name HA )) 3.400 1.500 1.500 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.64274E-03 ppm1 7.792 ppm2 3.955 CV 1 ASSI { 1091} (( segid " " and resid 1949 and name H )) (( segid " " and resid 1948 and name HA )) 2.900 1.100 1.100 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.17362E-02 ppm1 8.071 ppm2 3.907 CV 1 ASSI { 1093} (( segid " " and resid 1882 and name H )) (( segid " " and resid 1882 and name HG )) 2.400 0.700 0.700 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.42284E-02 ppm1 7.831 ppm2 1.704 CV 1 ASSI { 1094} (( segid " " and resid 1883 and name H )) (( segid " " and resid 1882 and name HG )) 5.000 3.100 1.000 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.26074E-03 ppm1 7.797 ppm2 1.701 CV 1 ASSI { 1095} (( segid " " and resid 1883 and name H )) (( segid " " and resid 1882 and name HB3 )) 3.500 1.600 1.600 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.10207E-02 ppm1 7.795 ppm2 1.970 CV 1 ASSI { 1096} (( segid " " and resid 1883 and name H )) (( segid " " and resid 1884 and name HG3 )) 4.700 2.700 1.300 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.97828E-03 ppm1 7.795 ppm2 1.915 CV 1 ASSI { 1097} (( segid " " and resid 1883 and name H )) (( segid " " and resid 1884 and name HG2 )) 4.800 2.900 1.200 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.58008E-03 ppm1 7.794 ppm2 2.130 CV 1 ASSI { 1098} (( segid " " and resid 1883 and name H )) (( segid " " and resid 1881 and name HB2 )) 4.400 2.400 1.600 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.43658E-03 ppm1 7.793 ppm2 2.323 CV 1 ASSI { 1099} (( segid " " and resid 1882 and name H )) (( segid " " and resid 1881 and name HB2 )) 3.300 1.300 1.300 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.10834E-02 ppm1 7.833 ppm2 2.321 CV 1 ASSI { 1100} (( segid " " and resid 1882 and name H )) (( segid " " and resid 1882 and name HB3 )) 3.200 1.300 1.300 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.35351E-02 ppm1 7.831 ppm2 1.974 CV 1 ASSI { 1102} (( segid " " and resid 1883 and name H )) (( segid " " and resid 1882 and name HB2 )) 3.400 1.400 1.400 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.67911E-03 ppm1 7.795 ppm2 1.268 CV 1 ASSI { 1103} (( segid " " and resid 1882 and name H )) (( segid " " and resid 1882 and name HB2 )) 2.600 0.800 0.800 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.24214E-02 ppm1 7.830 ppm2 1.269 CV 1 ASSI { 1104} (( segid " " and resid 1916 and name H )) ( segid " " and resid 1903 and name HB% ) 5.900 4.300 0.100 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.17989E-03 ppm1 8.074 ppm2 1.260 CV 1 ASSI { 1106} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1881 and name H )) 2.400 0.700 0.700 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.43981E-02 ppm1 9.463 ppm2 8.071 CV 1 ASSI { 1108} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1878 and name HA )) 3.300 1.400 1.400 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.13562E-02 ppm1 9.462 ppm2 4.887 CV 1 ASSI { 1109} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1880 and name HA )) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.50469E-02 ppm1 9.462 ppm2 4.251 CV 1 ASSI { 1110} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1879 and name HD2 )) 2.700 0.900 0.900 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.19505E-02 ppm1 9.462 ppm2 3.738 CV 1 ASSI { 1112} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1880 and name HG3 )) 3.600 1.600 1.600 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.21323E-02 ppm1 9.463 ppm2 2.266 CV 1 ASSI { 1113} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1879 and name HB2 )) 3.300 1.300 1.300 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.11076E-02 ppm1 9.462 ppm2 2.165 CV 1 ASSI { 1114} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1879 and name HG2 )) 2.100 2.100 3.900 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.81274E-02 ppm1 9.463 ppm2 2.056 CV 1 ASSI { 1115} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1879 and name HB3 )) 3.500 1.500 1.500 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.18352E-02 ppm1 9.462 ppm2 1.886 CV 1 ASSI { 1116} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1882 and name HG )) 4.200 2.200 1.800 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.37796E-03 ppm1 9.462 ppm2 1.704 CV 1 ASSI { 1117} (( segid " " and resid 1880 and name H )) ( segid " " and resid 1937 and name HD1%) 4.300 2.400 1.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.52349E-03 ppm1 9.463 ppm2 0.930 CV 1 ASSI { 1119} (( segid " " and resid 1876 and name H )) (( segid " " and resid 1874 and name H )) 4.300 2.300 1.700 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.31126E-03 ppm1 7.095 ppm2 8.839 CV 1 ASSI { 1120} (( segid " " and resid 1876 and name H )) (( segid " " and resid 1878 and name H )) 4.200 2.200 1.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.48509E-03 ppm1 7.091 ppm2 8.694 CV 1 ASSI { 1121} (( segid " " and resid 1876 and name H )) (( segid " " and resid 1875 and name H )) 2.800 1.000 1.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.23244E-02 ppm1 7.092 ppm2 8.121 CV 1 ASSI { 1122} (( segid " " and resid 1877 and name H )) (( segid " " and resid 1875 and name H )) 5.100 3.300 0.900 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.15563E-03 ppm1 7.602 ppm2 8.116 CV 1 ASSI { 1123} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1875 and name H )) 4.900 3.000 1.100 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.14351E-03 ppm1 8.696 ppm2 8.115 CV 1 ASSI { 1124} (( segid " " and resid 1876 and name H )) (( segid " " and resid 1877 and name H )) 3.200 1.300 1.300 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.11763E-02 ppm1 7.092 ppm2 7.603 CV 1 ASSI { 1125} (( segid " " and resid 1876 and name H )) (( segid " " and resid 1876 and name HD21)) 4.500 2.600 1.500 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.18595E-03 ppm1 7.090 ppm2 7.466 CV 1 ASSI { 1126} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1877 and name H )) 2.700 0.900 0.900 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.22638E-02 ppm1 8.694 ppm2 7.601 CV 1 ASSI { 1129} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1878 and name HA )) 2.600 0.900 0.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.33896E-02 ppm1 8.694 ppm2 4.888 CV 1 ASSI { 1131} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1874 and name HA )) 2.500 0.800 0.800 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.41556E-02 ppm1 8.694 ppm2 4.206 CV 1 ASSI { 1133} (( segid " " and resid 1876 and name H )) (( segid " " and resid 1874 and name HA )) 3.400 1.400 1.400 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.64274E-03 ppm1 7.094 ppm2 4.210 CV 1 ASSI { 1134} (( segid " " and resid 1876 and name H )) (( segid " " and resid 1873 and name HA )) 3.600 1.600 1.600 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.68722E-03 ppm1 7.093 ppm2 3.913 CV 1 ASSI { 1135} (( segid " " and resid 1876 and name H )) (( segid " " and resid 1875 and name HA )) 3.100 1.200 1.200 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 7.092 ppm2 3.714 CV 1 ASSI { 1137} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1875 and name HA )) 2.900 1.000 1.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.22132E-02 ppm1 8.695 ppm2 3.732 CV 1 ASSI { 1139} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1879 and name HD3 )) 2.800 1.000 1.000 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.28196E-02 ppm1 8.694 ppm2 3.398 CV 1 ASSI { 1140} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1874 and name HE2 )) 4.100 2.100 1.900 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.32137E-03 ppm1 8.694 ppm2 2.866 CV 1 ASSI { 1141} (( segid " " and resid 1877 and name H )) (( segid " " and resid 1876 and name HB2 )) 3.100 1.200 1.200 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.88122E-03 ppm1 7.603 ppm2 2.861 CV 1 ASSI { 1143} (( segid " " and resid 1876 and name H )) (( segid " " and resid 1947 and name HD2 )) 3.800 1.800 1.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.42243E-03 ppm1 7.093 ppm2 1.674 CV 1 ASSI { 1144} (( segid " " and resid 1877 and name H )) (( segid " " and resid 1874 and name HB3 )) 4.800 2.800 1.200 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.21020E-03 ppm1 7.609 ppm2 1.687 CV 1 ASSI { 1146} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1874 and name HB3 )) 3.000 1.200 1.200 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.13926E-02 ppm1 8.695 ppm2 1.686 CV 1 ASSI { 1147} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1874 and name HD3 )) 3.700 1.700 1.700 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.55785E-03 ppm1 8.696 ppm2 1.536 CV 1 ASSI { 1148} (( segid " " and resid 1876 and name H )) ( segid " " and resid 1877 and name HG2%) 4.300 2.300 1.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.81254E-03 ppm1 7.091 ppm2 1.154 CV 1 ASSI { 1149} (( segid " " and resid 1876 and name H )) ( segid " " and resid 1872 and name HG2%) 4.000 2.000 2.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.44062E-03 ppm1 7.088 ppm2 0.832 CV 1 ASSI { 1150} (( segid " " and resid 1876 and name H )) ( segid " " and resid 1950 and name HD2%) 4.700 2.700 1.300 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.28701E-03 ppm1 7.088 ppm2 0.758 CV 1 ASSI { 1151} (( segid " " and resid 1877 and name H )) ( segid " " and resid 1877 and name HG2%) 3.200 1.300 1.300 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 7.602 ppm2 1.148 CV 1 ASSI { 1153} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1874 and name H )) 2.700 0.900 0.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.25851E-02 ppm1 8.121 ppm2 8.840 CV 1 ASSI { 1155} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1872 and name H )) 4.800 2.800 1.200 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.16978E-03 ppm1 8.120 ppm2 7.827 CV 1 ASSI { 1156} (( segid " " and resid 1854 and name H )) (( segid " " and resid 1853 and name H )) 2.700 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.26862E-02 ppm1 8.839 ppm2 7.186 CV 1 ASSI { 1159} (( segid " " and resid 1854 and name H )) ( segid " " and resid 1853 and name HD% ) 4.500 2.500 1.500 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.54370E-03 ppm1 8.838 ppm2 6.952 CV 1 ASSI { 1160} (( segid " " and resid 1874 and name H )) (( segid " " and resid 1873 and name HB )) 2.300 0.700 0.700 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.67854E-02 ppm1 8.840 ppm2 4.204 CV 1 ASSI { 1161} (( segid " " and resid 1874 and name H )) (( segid " " and resid 1870 and name HA )) 3.300 1.300 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.14573E-02 ppm1 8.839 ppm2 4.084 CV 1 ASSI { 1163} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1874 and name HA )) 3.200 1.300 1.300 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.10813E-02 ppm1 8.121 ppm2 4.209 CV 1 ASSI { 1165} (( segid " " and resid 1854 and name H )) (( segid " " and resid 1851 and name HA )) 3.100 1.200 1.200 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.22981E-02 ppm1 8.840 ppm2 3.722 CV 1 ASSI { 1166} (( segid " " and resid 1854 and name H )) (( segid " " and resid 1854 and name HA )) 2.800 1.000 1.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.24962E-02 ppm1 8.838 ppm2 3.445 CV 1 ASSI { 1167} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1875 and name HA )) 2.400 0.700 0.700 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.58756E-02 ppm1 8.121 ppm2 3.713 CV 1 ASSI { 1169} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1874 and name HE2 )) 4.900 3.000 1.100 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.40222E-03 ppm1 8.123 ppm2 2.869 CV 1 ASSI { 1170} (( segid " " and resid 1854 and name H )) (( segid " " and resid 1853 and name HB2 )) 3.200 1.300 1.300 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.86101E-03 ppm1 8.837 ppm2 2.818 CV 1 ASSI { 1171} (( segid " " and resid 1854 and name H )) (( segid " " and resid 1853 and name HB3 )) 3.700 1.700 1.700 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.12410E-02 ppm1 8.840 ppm2 2.531 CV 1 ASSI { 1172} (( segid " " and resid 1874 and name H )) (( segid " " and resid 1870 and name HG2 )) 5.500 3.800 0.500 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.25669E-03 ppm1 8.845 ppm2 2.325 CV 1 ASSI { 1173} (( segid " " and resid 1874 and name H )) (( segid " " and resid 1870 and name HG3 )) 3.900 1.900 1.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.52754E-03 ppm1 8.840 ppm2 2.250 CV 1 ASSI { 1174} (( segid " " and resid 1854 and name H )) (( segid " " and resid 1854 and name HB3 )) 2.400 0.700 0.700 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.43011E-02 ppm1 8.839 ppm2 2.047 CV 1 ASSI { 1176} (( segid " " and resid 1874 and name H )) (( segid " " and resid 1874 and name HB2 )) 2.200 0.600 0.600 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.52592E-02 ppm1 8.840 ppm2 1.686 CV 1 ASSI { 1177} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1874 and name HB2 )) 2.900 1.000 1.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.19848E-02 ppm1 8.120 ppm2 1.686 CV 1 OR { 1177} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1874 and name HB3 )) ASSI { 1179} (( segid " " and resid 1874 and name H )) (( segid " " and resid 1874 and name HG2 )) 2.500 0.800 0.800 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.36119E-02 ppm1 8.841 ppm2 1.422 CV 1 ASSI { 1180} (( segid " " and resid 1854 and name H )) (( segid " " and resid 1854 and name HB2 )) 2.700 0.900 0.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.31753E-02 ppm1 8.839 ppm2 1.303 CV 1 ASSI { 1182} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1874 and name HG2 )) 4.300 2.300 1.700 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.69128E-03 ppm1 8.124 ppm2 1.423 CV 1 OR { 1182} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1874 and name HG3 )) ASSI { 1183} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1951 and name HG12)) 4.300 2.300 1.700 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.26276E-03 ppm1 8.121 ppm2 1.174 CV 1 ASSI { 1184} (( segid " " and resid 1854 and name H )) ( segid " " and resid 1851 and name HG1%) 3.500 1.500 1.500 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.36988E-03 ppm1 8.839 ppm2 1.020 CV 1 ASSI { 1186} (( segid " " and resid 1875 and name H )) ( segid " " and resid 1950 and name HD2%) 3.500 1.600 1.600 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 8.122 ppm2 0.753 CV 1 ASSI { 1187} (( segid " " and resid 1860 and name H )) (( segid " " and resid 1861 and name H )) 2.700 0.900 0.900 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.25831E-02 ppm1 8.192 ppm2 8.929 CV 1 ASSI { 1188} (( segid " " and resid 1873 and name H )) (( segid " " and resid 1874 and name H )) 2.600 0.800 0.800 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.27832E-02 ppm1 8.177 ppm2 8.839 CV 1 ASSI { 1189} (( segid " " and resid 1872 and name H )) (( segid " " and resid 1871 and name H )) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.25487E-02 ppm1 7.829 ppm2 8.459 CV 1 ASSI { 1190} (( segid " " and resid 1872 and name H )) (( segid " " and resid 1870 and name H )) 4.500 2.500 1.500 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.28499E-03 ppm1 7.832 ppm2 8.335 CV 1 ASSI { 1191} (( segid " " and resid 1872 and name H )) (( segid " " and resid 1873 and name H )) 2.400 0.700 0.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.42041E-02 ppm1 7.829 ppm2 8.196 CV 1 ASSI { 1192} (( segid " " and resid 1873 and name H )) (( segid " " and resid 1871 and name H )) 4.400 2.400 1.600 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.22436E-03 ppm1 8.178 ppm2 8.470 CV 1 ASSI { 1195} (( segid " " and resid 1860 and name H )) (( segid " " and resid 1859 and name H )) 2.700 0.900 0.900 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.26963E-02 ppm1 8.191 ppm2 7.191 CV 1 ASSI { 1198} (( segid " " and resid 1860 and name H )) (( segid " " and resid 1860 and name HB )) 2.400 0.700 0.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.43901E-02 ppm1 8.186 ppm2 4.079 CV 1 ASSI { 1200} (( segid " " and resid 1872 and name H )) (( segid " " and resid 1868 and name HA )) 4.300 2.300 1.700 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.31935E-03 ppm1 7.829 ppm2 3.435 CV 1 ASSI { 1203} (( segid " " and resid 1872 and name H )) (( segid " " and resid 1871 and name HB2 )) 2.700 0.900 0.900 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.15947E-02 ppm1 7.829 ppm2 2.417 CV 1 ASSI { 1204} (( segid " " and resid 1872 and name H )) (( segid " " and resid 1872 and name HB )) 2.400 0.700 0.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.55846E-02 ppm1 7.830 ppm2 2.255 CV 1 ASSI { 1205} (( segid " " and resid 1873 and name H )) (( segid " " and resid 1871 and name HB2 )) 4.700 2.700 1.300 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.33956E-03 ppm1 8.176 ppm2 2.416 CV 1 ASSI { 1206} (( segid " " and resid 1873 and name H )) (( segid " " and resid 1872 and name HB )) 2.900 1.100 1.100 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.47033E-02 ppm1 8.177 ppm2 2.260 CV 1 ASSI { 1207} (( segid " " and resid 1872 and name H )) (( segid " " and resid 1871 and name HB3 )) 3.600 1.600 1.600 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.11056E-02 ppm1 7.829 ppm2 1.826 CV 1 ASSI { 1208} (( segid " " and resid 1860 and name H )) (( segid " " and resid 1859 and name HB2 )) 2.400 0.700 0.700 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.38908E-02 ppm1 8.191 ppm2 1.906 CV 1 ASSI { 1209} (( segid " " and resid 1860 and name H )) (( segid " " and resid 1859 and name HG3 )) 4.500 2.500 1.500 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.53360E-03 ppm1 8.190 ppm2 1.765 CV 1 ASSI { 1210} (( segid " " and resid 1872 and name H )) ( segid " " and resid 1954 and name HB% ) 4.000 2.000 2.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.40627E-03 ppm1 7.830 ppm2 1.309 CV 1 ASSI { 1211} (( segid " " and resid 1872 and name H )) ( segid " " and resid 1873 and name HG2%) 5.600 3.900 0.400 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.24659E-03 ppm1 7.835 ppm2 1.185 CV 1 ASSI { 1212} (( segid " " and resid 1860 and name H )) ( segid " " and resid 1863 and name HB% ) 4.000 2.000 2.000 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.79632E-03 ppm1 8.191 ppm2 1.533 CV 1 ASSI { 1213} (( segid " " and resid 1860 and name H )) ( segid " " and resid 1861 and name HB% ) 4.100 2.100 1.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.93986E-03 ppm1 8.190 ppm2 1.376 CV 1 ASSI { 1217} (( segid " " and resid 1873 and name H )) ( segid " " and resid 1872 and name HG2%) 3.000 1.100 1.100 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.32723E-02 ppm1 8.179 ppm2 0.842 CV 1 ASSI { 1219} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1870 and name H )) 2.600 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.28135E-02 ppm1 8.461 ppm2 8.340 CV 1 ASSI { 1224} (( segid " " and resid 1870 and name H )) (( segid " " and resid 1869 and name H )) 2.400 0.700 0.700 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.36867E-02 ppm1 8.337 ppm2 7.534 CV 1 ASSI { 1225} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1869 and name H )) 4.300 2.300 1.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.29914E-03 ppm1 8.460 ppm2 7.530 CV 1 ASSI { 1228} (( segid " " and resid 1870 and name H )) (( segid " " and resid 1867 and name HA )) 3.100 1.200 1.200 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 8.338 ppm2 3.791 CV 1 ASSI { 1229} (( segid " " and resid 1870 and name H )) (( segid " " and resid 1866 and name HA )) 3.900 1.900 1.900 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.78828E-03 ppm1 8.339 ppm2 3.663 CV 1 ASSI { 1230} (( segid " " and resid 1870 and name H )) (( segid " " and resid 1868 and name HA )) 4.200 2.200 1.800 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.27893E-03 ppm1 8.336 ppm2 3.435 CV 1 ASSI { 1231} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1868 and name HA )) 3.100 1.200 1.200 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.13017E-02 ppm1 8.461 ppm2 3.432 CV 1 ASSI { 1233} (( segid " " and resid 1870 and name H )) (( segid " " and resid 1869 and name HG3 )) 3.100 1.200 1.200 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 8.337 ppm2 2.417 CV 1 OR { 1233} (( segid " " and resid 1870 and name H )) (( segid " " and resid 1869 and name HG2 )) ASSI { 1235} (( segid " " and resid 1870 and name H )) (( segid " " and resid 1870 and name HB3 )) 2.100 0.600 0.600 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.87820E-02 ppm1 8.338 ppm2 2.234 CV 1 ASSI { 1236} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1871 and name HB2 )) 2.500 0.800 0.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.26720E-02 ppm1 8.462 ppm2 2.418 CV 1 ASSI { 1237} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1870 and name HB3 )) 2.600 0.900 0.900 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.23870E-02 ppm1 8.462 ppm2 2.241 CV 1 ASSI { 1238} (( segid " " and resid 1870 and name H )) (( segid " " and resid 1870 and name HB2 )) 2.600 0.900 0.900 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.32481E-02 ppm1 8.338 ppm2 2.053 CV 1 ASSI { 1239} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1871 and name HB3 )) 3.400 1.500 1.500 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.26761E-02 ppm1 8.463 ppm2 1.827 CV 1 ASSI { 1240} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1874 and name HB2 )) 4.700 2.700 1.300 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.22436E-03 ppm1 8.463 ppm2 1.694 CV 1 ASSI { 1243} (( segid " " and resid 1871 and name H )) ( segid " " and resid 1868 and name HG2%) 3.100 1.200 1.200 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.26357E-02 ppm1 8.462 ppm2 0.915 CV 1 ASSI { 1245} (( segid " " and resid 1871 and name H )) ( segid " " and resid 1867 and name HG2%) 3.800 1.800 1.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.58008E-03 ppm1 8.460 ppm2 1.181 CV 1 ASSI { 1246} (( segid " " and resid 1869 and name H )) (( segid " " and resid 1868 and name H )) 2.500 0.800 0.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.32218E-02 ppm1 7.535 ppm2 8.454 CV 1 ASSI { 1248} (( segid " " and resid 1869 and name H )) (( segid " " and resid 1867 and name H )) 4.200 2.200 1.800 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.26478E-03 ppm1 7.534 ppm2 8.215 CV 1 ASSI { 1249} (( segid " " and resid 1868 and name H )) (( segid " " and resid 1870 and name H )) 3.900 1.900 1.900 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.47700E-03 ppm1 8.451 ppm2 8.344 CV 1 ASSI { 1251} (( segid " " and resid 1868 and name H )) (( segid " " and resid 1866 and name H )) 4.000 2.000 2.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.44467E-03 ppm1 8.451 ppm2 7.820 CV 1 ASSI { 1254} (( segid " " and resid 1868 and name H )) (( segid " " and resid 1867 and name HB )) 2.700 0.900 0.900 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.22092E-02 ppm1 8.453 ppm2 4.271 CV 1 ASSI { 1257} (( segid " " and resid 1869 and name H )) (( segid " " and resid 1867 and name HA )) 4.700 2.700 1.300 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.16372E-03 ppm1 7.528 ppm2 3.796 CV 1 ASSI { 1259} (( segid " " and resid 1868 and name H )) (( segid " " and resid 1865 and name HA )) 3.400 1.500 1.500 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.18676E-02 ppm1 8.453 ppm2 3.887 CV 1 ASSI { 1262} (( segid " " and resid 1868 and name H )) (( segid " " and resid 1868 and name HA )) 2.700 0.900 0.900 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.25790E-02 ppm1 8.452 ppm2 3.432 CV 1 ASSI { 1266} (( segid " " and resid 1868 and name H )) (( segid " " and resid 1868 and name HB )) 2.400 0.700 0.700 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.46589E-02 ppm1 8.453 ppm2 2.069 CV 1 ASSI { 1267} (( segid " " and resid 1869 and name H )) (( segid " " and resid 1869 and name HG3 )) 3.000 1.100 1.100 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.28782E-02 ppm1 7.535 ppm2 2.418 CV 1 ASSI { 1269} (( segid " " and resid 1869 and name H )) (( segid " " and resid 1868 and name HB )) 3.100 1.200 1.200 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.33047E-02 ppm1 7.534 ppm2 2.069 CV 1 ASSI { 1271} (( segid " " and resid 1869 and name H )) ( segid " " and resid 1865 and name HB% ) 3.600 1.600 1.600 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.28701E-03 ppm1 7.534 ppm2 1.550 CV 1 ASSI { 1273} (( segid " " and resid 1869 and name H )) ( segid " " and resid 1868 and name HG2%) 3.000 1.100 1.100 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.35977E-02 ppm1 7.534 ppm2 0.920 CV 1 ASSI { 1276} (( segid " " and resid 1866 and name H )) (( segid " " and resid 1865 and name HA )) 3.000 1.100 1.100 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.18009E-02 ppm1 7.827 ppm2 3.889 CV 1 ASSI { 1277} (( segid " " and resid 1866 and name H )) (( segid " " and resid 1866 and name HB )) 2.400 0.700 0.700 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.74322E-02 ppm1 7.826 ppm2 2.194 CV 1 ASSI { 1278} (( segid " " and resid 1866 and name H )) ( segid " " and resid 1865 and name HB% ) 2.600 0.900 0.900 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.38140E-02 ppm1 7.826 ppm2 1.550 CV 1 ASSI { 1280} (( segid " " and resid 1865 and name H )) (( segid " " and resid 1867 and name H )) 4.400 2.400 1.600 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.35775E-03 ppm1 7.796 ppm2 8.227 CV 1 ASSI { 1281} (( segid " " and resid 1865 and name H )) (( segid " " and resid 1868 and name H )) 4.700 2.800 1.300 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.17382E-03 ppm1 7.801 ppm2 8.454 CV 1 ASSI { 1282} (( segid " " and resid 1865 and name H )) (( segid " " and resid 1863 and name H )) 4.100 2.100 1.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.43860E-03 ppm1 7.792 ppm2 7.646 CV 1 ASSI { 1283} (( segid " " and resid 1865 and name H )) (( segid " " and resid 1865 and name HA )) 2.300 0.700 0.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.69553E-02 ppm1 7.793 ppm2 3.889 CV 1 ASSI { 1284} (( segid " " and resid 1865 and name H )) (( segid " " and resid 1863 and name HA )) 4.600 2.600 1.400 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.18595E-03 ppm1 7.798 ppm2 4.108 CV 1 ASSI { 1286} (( segid " " and resid 1865 and name H )) (( segid " " and resid 1864 and name HB )) 3.200 1.300 1.300 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.30480E-02 ppm1 7.793 ppm2 2.215 CV 1 ASSI { 1287} (( segid " " and resid 1865 and name H )) (( segid " " and resid 1864 and name HG13)) 3.300 1.300 1.300 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.47296E-03 ppm1 7.794 ppm2 2.023 CV 1 ASSI { 1290} (( segid " " and resid 1865 and name H )) ( segid " " and resid 1961 and name HG1%) 3.300 1.400 1.400 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.22739E-02 ppm1 7.793 ppm2 0.912 CV 1 ASSI { 1294} (( segid " " and resid 1863 and name H )) (( segid " " and resid 1861 and name H )) 3.900 1.900 1.900 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.47296E-03 ppm1 7.645 ppm2 8.930 CV 1 ASSI { 1295} (( segid " " and resid 1863 and name H )) (( segid " " and resid 1862 and name H )) 2.600 0.800 0.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.35432E-02 ppm1 7.646 ppm2 8.268 CV 1 ASSI { 1297} (( segid " " and resid 1862 and name H )) (( segid " " and resid 1864 and name H )) 4.200 2.200 1.800 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.32542E-03 ppm1 8.270 ppm2 8.014 CV 1 ASSI { 1299} (( segid " " and resid 1863 and name H )) (( segid " " and resid 1863 and name HA )) 2.600 0.900 0.900 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.44588E-02 ppm1 7.646 ppm2 4.109 CV 1 ASSI { 1300} (( segid " " and resid 1862 and name H )) (( segid " " and resid 1860 and name HB )) 4.900 3.000 1.100 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.24255E-03 ppm1 8.265 ppm2 4.100 CV 1 ASSI { 1301} (( segid " " and resid 1862 and name H )) (( segid " " and resid 1862 and name HA )) 2.400 0.700 0.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.54654E-02 ppm1 8.267 ppm2 3.895 CV 1 ASSI { 1302} (( segid " " and resid 1827 and name H )) (( segid " " and resid 1826 and name HA3 )) 2.500 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.51601E-02 ppm1 7.646 ppm2 3.889 CV 1 ASSI { 1303} (( segid " " and resid 1862 and name H )) (( segid " " and resid 1858 and name HA )) 4.200 2.200 1.800 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.36382E-03 ppm1 8.264 ppm2 3.380 CV 1 ASSI { 1304} (( segid " " and resid 1862 and name H )) (( segid " " and resid 1862 and name HB2 )) 2.400 0.700 0.700 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.46164E-02 ppm1 8.267 ppm2 1.829 CV 1 ASSI { 1305} (( segid " " and resid 1862 and name H )) (( segid " " and resid 1862 and name HG3 )) 2.400 0.700 0.700 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.31955E-02 ppm1 8.267 ppm2 1.727 CV 1 ASSI { 1307} (( segid " " and resid 1863 and name H )) (( segid " " and resid 1862 and name HB2 )) 2.600 0.900 0.900 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.26781E-02 ppm1 7.646 ppm2 1.831 CV 1 ASSI { 1309} (( segid " " and resid 1862 and name H )) ( segid " " and resid 1860 and name HG2%) 4.900 3.000 1.100 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.19606E-03 ppm1 8.270 ppm2 1.145 CV 1 ASSI { 1314} (( segid " " and resid 1863 and name H )) ( segid " " and resid 1866 and name HG1%) 4.300 2.400 1.700 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.58210E-03 ppm1 7.647 ppm2 1.043 CV 1 ASSI { 1315} (( segid " " and resid 1863 and name H )) ( segid " " and resid 1864 and name HG2%) 4.200 2.300 1.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.65285E-03 ppm1 7.645 ppm2 0.826 CV 1 ASSI { 1316} (( segid " " and resid 1861 and name H )) (( segid " " and resid 1862 and name H )) 2.700 0.900 0.900 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.26437E-02 ppm1 8.930 ppm2 8.265 CV 1 ASSI { 1318} (( segid " " and resid 1860 and name H )) (( segid " " and resid 1858 and name H )) 4.500 2.500 1.500 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.26882E-03 ppm1 8.198 ppm2 8.520 CV 1 ASSI { 1320} (( segid " " and resid 1861 and name H )) (( segid " " and resid 1859 and name H )) 4.200 2.200 1.800 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.30722E-03 ppm1 8.931 ppm2 7.195 CV 1 ASSI { 1322} (( segid " " and resid 1861 and name H )) (( segid " " and resid 1860 and name HB )) 2.600 0.900 0.900 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.26437E-02 ppm1 8.930 ppm2 4.084 CV 1 ASSI { 1323} (( segid " " and resid 1861 and name H )) (( segid " " and resid 1858 and name HA )) 3.200 1.300 1.300 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 8.930 ppm2 3.378 CV 1 ASSI { 1324} (( segid " " and resid 1861 and name H )) (( segid " " and resid 1857 and name HB3 )) 3.600 1.600 1.600 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.73569E-03 ppm1 8.930 ppm2 1.878 CV 1 ASSI { 1325} (( segid " " and resid 1861 and name H )) ( segid " " and resid 1863 and name HB% ) 4.200 2.200 1.800 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.48711E-03 ppm1 8.929 ppm2 1.526 CV 1 ASSI { 1328} (( segid " " and resid 1861 and name H )) ( segid " " and resid 1896 and name HD2%) 2.700 0.900 0.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.30763E-02 ppm1 8.930 ppm2 0.883 CV 1 ASSI { 1331} (( segid " " and resid 1858 and name H )) (( segid " " and resid 1857 and name H )) 2.800 1.000 1.000 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.18858E-02 ppm1 8.524 ppm2 8.839 CV 1 ASSI { 1334} (( segid " " and resid 1859 and name H )) (( segid " " and resid 1858 and name H )) 2.600 0.900 0.900 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.25104E-02 ppm1 7.192 ppm2 8.524 CV 1 ASSI { 1338} (( segid " " and resid 1853 and name H )) ( segid " " and resid 1853 and name HD% ) 2.900 1.000 1.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.22112E-02 ppm1 7.185 ppm2 6.951 CV 1 ASSI { 1341} (( segid " " and resid 1859 and name H )) (( segid " " and resid 1859 and name HA )) 2.400 0.700 0.700 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.55523E-02 ppm1 7.192 ppm2 3.892 CV 1 ASSI { 1343} (( segid " " and resid 1858 and name H )) (( segid " " and resid 1857 and name HA )) 3.100 1.200 1.200 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.13562E-02 ppm1 8.524 ppm2 3.894 CV 1 ASSI { 1348} (( segid " " and resid 1859 and name H )) (( segid " " and resid 1859 and name HD2 )) 5.100 3.300 0.900 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.26882E-03 ppm1 7.192 ppm2 3.137 CV 1 OR { 1348} (( segid " " and resid 1859 and name H )) (( segid " " and resid 1859 and name HD3 )) ASSI { 1349} (( segid " " and resid 1853 and name H )) (( segid " " and resid 1853 and name HB2 )) 2.900 1.000 1.000 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.13643E-02 ppm1 7.188 ppm2 2.815 CV 1 ASSI { 1350} (( segid " " and resid 1853 and name H )) (( segid " " and resid 1852 and name HB3 )) 2.500 0.800 0.800 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.32278E-02 ppm1 7.186 ppm2 2.531 CV 1 ASSI { 1355} (( segid " " and resid 1859 and name H )) ( segid " " and resid 1856 and name HG2%) 4.000 2.000 2.000 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.62657E-03 ppm1 7.191 ppm2 1.151 CV 1 ASSI { 1357} (( segid " " and resid 1858 and name H )) ( segid " " and resid 1856 and name HG2%) 4.100 2.100 1.900 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.39009E-03 ppm1 8.524 ppm2 1.153 CV 1 ASSI { 1362} (( segid " " and resid 1856 and name H )) (( segid " " and resid 1857 and name H )) 2.700 0.900 0.900 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.29833E-02 ppm1 7.459 ppm2 8.839 CV 1 ASSI { 1363} (( segid " " and resid 1856 and name H )) (( segid " " and resid 1858 and name H )) 4.300 2.300 1.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.36180E-03 ppm1 7.462 ppm2 8.520 CV 1 ASSI { 1364} (( segid " " and resid 1856 and name H )) (( segid " " and resid 1855 and name H )) 2.900 1.000 1.000 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.20394E-02 ppm1 7.459 ppm2 8.111 CV 1 ASSI { 1365} (( segid " " and resid 1857 and name H )) (( segid " " and resid 1855 and name H )) 4.700 2.800 1.300 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.20010E-03 ppm1 8.836 ppm2 8.115 CV 1 ASSI { 1372} (( segid " " and resid 1857 and name H )) (( segid " " and resid 1857 and name HA )) 2.700 0.900 0.900 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.28964E-02 ppm1 8.840 ppm2 3.897 CV 1 ASSI { 1375} (( segid " " and resid 1856 and name H )) (( segid " " and resid 1855 and name HA )) 3.400 1.400 1.400 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.10551E-02 ppm1 7.461 ppm2 3.737 CV 1 ASSI { 1376} (( segid " " and resid 1857 and name H )) (( segid " " and resid 1854 and name HA )) 3.400 1.500 1.500 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.72160E-03 ppm1 8.840 ppm2 3.444 CV 1 ASSI { 1377} (( segid " " and resid 1857 and name H )) (( segid " " and resid 1857 and name HG3 )) 2.800 1.000 1.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.19646E-02 ppm1 8.841 ppm2 2.876 CV 1 ASSI { 1378} (( segid " " and resid 1856 and name H )) (( segid " " and resid 1857 and name HG3 )) 5.400 3.600 0.600 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.13744E-03 ppm1 7.456 ppm2 2.871 CV 1 ASSI { 1379} (( segid " " and resid 1857 and name H )) (( segid " " and resid 1857 and name HG2 )) 3.600 1.600 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.13461E-02 ppm1 8.840 ppm2 2.344 CV 1 ASSI { 1380} (( segid " " and resid 1856 and name H )) (( segid " " and resid 1854 and name HG2 )) 4.000 2.000 2.000 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.62859E-03 ppm1 7.462 ppm2 2.051 CV 1 ASSI { 1381} (( segid " " and resid 1857 and name H )) (( segid " " and resid 1857 and name HB2 )) 2.500 0.800 0.800 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.25306E-02 ppm1 8.840 ppm2 2.047 CV 1 ASSI { 1382} (( segid " " and resid 1857 and name H )) (( segid " " and resid 1857 and name HB3 )) 3.800 1.800 1.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.16392E-02 ppm1 8.840 ppm2 1.863 CV 1 ASSI { 1385} (( segid " " and resid 1856 and name H )) ( segid " " and resid 1858 and name HG1%) 5.000 3.100 1.000 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.21627E-03 ppm1 7.457 ppm2 1.023 CV 1 ASSI { 1387} (( segid " " and resid 1857 and name H )) ( segid " " and resid 1896 and name HD2%) 4.100 2.100 1.900 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.10510E-02 ppm1 8.838 ppm2 0.894 CV 1 ASSI { 1388} (( segid " " and resid 1857 and name H )) (( segid " " and resid 1968 and name HG )) 4.100 2.100 1.900 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.66701E-03 ppm1 8.840 ppm2 0.783 CV 1 ASSI { 1389} (( segid " " and resid 1855 and name H )) (( segid " " and resid 1854 and name H )) 2.900 1.000 1.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.21890E-02 ppm1 8.110 ppm2 8.839 CV 1 ASSI { 1391} (( segid " " and resid 1855 and name H )) (( segid " " and resid 1853 and name H )) 4.300 2.300 1.700 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.48509E-03 ppm1 8.113 ppm2 7.184 CV 1 ASSI { 1393} (( segid " " and resid 1855 and name H )) (( segid " " and resid 1855 and name HA )) 2.600 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.42344E-02 ppm1 8.111 ppm2 3.736 CV 1 ASSI { 1394} (( segid " " and resid 1855 and name H )) (( segid " " and resid 1854 and name HA )) 3.600 1.600 1.600 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.84080E-03 ppm1 8.112 ppm2 3.444 CV 1 ASSI { 1395} (( segid " " and resid 1855 and name H )) (( segid " " and resid 1854 and name HB3 )) 2.400 0.700 0.700 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.31915E-02 ppm1 8.112 ppm2 2.048 CV 1 ASSI { 1397} (( segid " " and resid 1855 and name H )) (( segid " " and resid 1854 and name HB2 )) 4.100 2.100 1.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.13744E-02 ppm1 8.111 ppm2 1.304 CV 1 ASSI { 1398} (( segid " " and resid 1855 and name H )) ( segid " " and resid 1855 and name HG2%) 3.000 1.200 1.200 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.20818E-02 ppm1 8.111 ppm2 1.157 CV 1 ASSI { 1399} (( segid " " and resid 1855 and name H )) ( segid " " and resid 1858 and name HG1%) 3.900 1.900 1.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.58817E-03 ppm1 8.109 ppm2 1.024 CV 1 ASSI { 1400} (( segid " " and resid 1855 and name H )) ( segid " " and resid 1851 and name HG2%) 3.900 1.900 1.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.51339E-03 ppm1 8.111 ppm2 0.904 CV 1 ASSI { 1401} (( segid " " and resid 1852 and name H )) (( segid " " and resid 1854 and name H )) 3.900 1.900 1.900 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.45275E-03 ppm1 7.320 ppm2 8.838 CV 1 ASSI { 1404} (( segid " " and resid 1852 and name H )) (( segid " " and resid 1853 and name H )) 2.700 0.900 0.900 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.28883E-02 ppm1 7.322 ppm2 7.183 CV 1 ASSI { 1405} (( segid " " and resid 1852 and name H )) ( segid " " and resid 1853 and name HD% ) 4.400 2.400 1.600 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.39009E-03 ppm1 7.324 ppm2 6.952 CV 1 ASSI { 1406} (( segid " " and resid 1853 and name H )) ( segid " " and resid 1853 and name HE% ) 5.600 3.900 0.400 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.12733E-03 ppm1 7.184 ppm2 6.662 CV 1 ASSI { 1410} (( segid " " and resid 1852 and name H )) (( segid " " and resid 1851 and name HA )) 3.400 1.400 1.400 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.10005E-02 ppm1 7.322 ppm2 3.728 CV 1 ASSI { 1411} (( segid " " and resid 1852 and name H )) (( segid " " and resid 1852 and name HB3 )) 2.600 0.900 0.900 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.35816E-02 ppm1 7.322 ppm2 2.531 CV 1 ASSI { 1412} (( segid " " and resid 1852 and name H )) (( segid " " and resid 1852 and name HB2 )) 2.800 0.900 0.900 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.24679E-02 ppm1 7.322 ppm2 2.345 CV 1 ASSI { 1413} (( segid " " and resid 1852 and name H )) (( segid " " and resid 1851 and name HB )) 3.700 1.700 1.700 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.17382E-02 ppm1 7.322 ppm2 2.016 CV 1 ASSI { 1415} (( segid " " and resid 1852 and name H )) ( segid " " and resid 1851 and name HG2%) 3.300 1.400 1.400 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.21344E-02 ppm1 7.322 ppm2 0.902 CV 1 ASSI { 1416} (( segid " " and resid 1851 and name H )) (( segid " " and resid 1850 and name H )) 3.000 1.100 1.100 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.12997E-02 ppm1 8.213 ppm2 9.297 CV 1 ASSI { 1417} (( segid " " and resid 1850 and name H )) (( segid " " and resid 1849 and name H )) 4.400 2.500 1.600 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.21020E-03 ppm1 9.298 ppm2 8.617 CV 1 ASSI { 1419} (( segid " " and resid 1851 and name H )) (( segid " " and resid 1852 and name H )) 2.700 0.900 0.900 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.26963E-02 ppm1 8.214 ppm2 7.321 CV 1 ASSI { 1420} (( segid " " and resid 1851 and name H )) ( segid " " and resid 1850 and name HD% ) 3.100 1.200 1.200 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.17989E-02 ppm1 8.214 ppm2 7.230 CV 1 ASSI { 1421} (( segid " " and resid 1850 and name H )) ( segid " " and resid 1853 and name HD% ) 4.300 2.400 1.700 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.25669E-03 ppm1 9.303 ppm2 6.952 CV 1 ASSI { 1422} (( segid " " and resid 1850 and name H )) ( segid " " and resid 1850 and name HD% ) 4.100 2.100 1.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 9.298 ppm2 7.234 CV 1 ASSI { 1423} (( segid " " and resid 1851 and name H )) (( segid " " and resid 1850 and name HA )) 3.400 1.400 1.400 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.94185E-03 ppm1 8.214 ppm2 4.158 CV 1 ASSI { 1425} (( segid " " and resid 1851 and name H )) (( segid " " and resid 1849 and name HB3 )) 3.700 1.700 1.700 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.50935E-03 ppm1 8.216 ppm2 3.912 CV 1 ASSI { 1426} (( segid " " and resid 1851 and name H )) (( segid " " and resid 1851 and name HA )) 2.500 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.38686E-02 ppm1 8.214 ppm2 3.727 CV 1 ASSI { 1427} (( segid " " and resid 1850 and name H )) (( segid " " and resid 1850 and name HA )) 3.000 1.100 1.100 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.16392E-02 ppm1 9.297 ppm2 4.157 CV 1 ASSI { 1430} (( segid " " and resid 1850 and name H )) (( segid " " and resid 1850 and name HB2 )) 3.000 1.100 1.100 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.19485E-02 ppm1 9.298 ppm2 3.252 CV 1 ASSI { 1431} (( segid " " and resid 1850 and name H )) (( segid " " and resid 1850 and name HB3 )) 3.000 1.100 1.100 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.19727E-02 ppm1 9.297 ppm2 2.989 CV 1 ASSI { 1432} (( segid " " and resid 1851 and name H )) (( segid " " and resid 1850 and name HB2 )) 3.800 1.800 1.800 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.14027E-02 ppm1 8.214 ppm2 3.254 CV 1 ASSI { 1433} (( segid " " and resid 1851 and name H )) (( segid " " and resid 1850 and name HB3 )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 8.214 ppm2 2.988 CV 1 ASSI { 1434} (( segid " " and resid 1851 and name H )) (( segid " " and resid 1852 and name HB3 )) 5.300 3.400 0.700 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.25669E-03 ppm1 8.216 ppm2 2.528 CV 1 ASSI { 1436} (( segid " " and resid 1850 and name H )) (( segid " " and resid 1851 and name HB )) 5.300 3.500 0.700 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.24053E-03 ppm1 9.301 ppm2 2.009 CV 1 ASSI { 1437} (( segid " " and resid 1851 and name H )) ( segid " " and resid 1906 and name HB% ) 4.700 2.800 1.300 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.32340E-03 ppm1 8.217 ppm2 1.561 CV 1 ASSI { 1439} (( segid " " and resid 1850 and name H )) ( segid " " and resid 1851 and name HG1%) 5.100 3.300 0.900 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.24053E-03 ppm1 9.290 ppm2 1.019 CV 1 ASSI { 1444} (( segid " " and resid 1848 and name H )) (( segid " " and resid 1847 and name H )) 2.800 1.000 1.000 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.21202E-02 ppm1 7.893 ppm2 8.565 CV 1 ASSI { 1445} (( segid " " and resid 1849 and name H )) (( segid " " and resid 1848 and name H )) 4.800 2.900 1.200 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.33956E-03 ppm1 8.609 ppm2 7.888 CV 1 ASSI { 1446} (( segid " " and resid 1849 and name H )) (( segid " " and resid 1852 and name H )) 3.500 1.600 1.600 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.73569E-03 ppm1 8.613 ppm2 7.324 CV 1 ASSI { 1447} (( segid " " and resid 1848 and name H )) ( segid " " and resid 1853 and name HE% ) 3.000 1.100 1.100 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.16473E-02 ppm1 7.892 ppm2 6.659 CV 1 ASSI { 1448} (( segid " " and resid 1849 and name H )) ( segid " " and resid 1853 and name HE% ) 4.600 2.600 1.400 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.23850E-03 ppm1 8.614 ppm2 6.660 CV 1 ASSI { 1449} (( segid " " and resid 1848 and name H )) (( segid " " and resid 1847 and name HA )) 2.700 0.900 0.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.37048E-02 ppm1 7.892 ppm2 4.356 CV 1 ASSI { 1450} (( segid " " and resid 1849 and name H )) (( segid " " and resid 1852 and name HA )) 6.000 4.700 0.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.13340E-03 ppm1 8.612 ppm2 4.235 CV 1 ASSI { 1451} (( segid " " and resid 1849 and name H )) (( segid " " and resid 1848 and name HA2 )) 2.600 0.800 0.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.73189E-02 ppm1 8.614 ppm2 4.060 CV 1 ASSI { 1453} (( segid " " and resid 1849 and name H )) (( segid " " and resid 1848 and name HA3 )) 2.400 0.700 0.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.47478E-02 ppm1 8.612 ppm2 3.809 CV 1 ASSI { 1454} (( segid " " and resid 1848 and name H )) (( segid " " and resid 1848 and name HA2 )) 2.900 1.100 1.100 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.30662E-02 ppm1 7.892 ppm2 4.055 CV 1 ASSI { 1455} (( segid " " and resid 1848 and name H )) (( segid " " and resid 1848 and name HA3 )) 2.600 0.800 0.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.32501E-02 ppm1 7.892 ppm2 3.802 CV 1 ASSI { 1456} (( segid " " and resid 1849 and name H )) (( segid " " and resid 1852 and name HB3 )) 2.700 0.900 0.900 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.23021E-02 ppm1 8.613 ppm2 2.531 CV 1 ASSI { 1457} (( segid " " and resid 1849 and name H )) (( segid " " and resid 1852 and name HB2 )) 3.200 1.300 1.300 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.15846E-02 ppm1 8.612 ppm2 2.344 CV 1 ASSI { 1458} (( segid " " and resid 1848 and name H )) (( segid " " and resid 1846 and name HB2 )) 3.200 1.300 1.300 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.78828E-03 ppm1 7.893 ppm2 2.245 CV 1 ASSI { 1459} (( segid " " and resid 1848 and name H )) (( segid " " and resid 1846 and name HG2 )) 3.500 1.500 1.500 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.15927E-02 ppm1 7.892 ppm2 2.107 CV 1 ASSI { 1460} (( segid " " and resid 1849 and name H )) ( segid " " and resid 1906 and name HB% ) 4.900 3.000 1.100 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.13947E-03 ppm1 8.619 ppm2 1.565 CV 1 ASSI { 1461} (( segid " " and resid 1848 and name H )) (( segid " " and resid 1847 and name HB3 )) 3.700 1.700 1.700 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.98227E-03 ppm1 7.892 ppm2 1.893 CV 1 ASSI { 1464} (( segid " " and resid 1849 and name H )) ( segid " " and resid 1851 and name HG2%) 5.400 3.700 0.600 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.19808E-03 ppm1 8.613 ppm2 0.907 CV 1 ASSI { 1466} (( segid " " and resid 1847 and name H )) ( segid " " and resid 1853 and name HE% ) 4.300 2.300 1.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.58413E-03 ppm1 8.558 ppm2 6.658 CV 1 ASSI { 1468} (( segid " " and resid 1847 and name H )) (( segid " " and resid 1848 and name HA3 )) 5.500 3.800 0.500 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.17382E-03 ppm1 8.563 ppm2 3.799 CV 1 ASSI { 1470} (( segid " " and resid 1847 and name H )) (( segid " " and resid 1847 and name HB2 )) 2.700 0.900 0.900 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.24537E-02 ppm1 8.559 ppm2 2.089 CV 1 ASSI { 1471} (( segid " " and resid 1847 and name H )) (( segid " " and resid 1847 and name HB3 )) 3.000 1.100 1.100 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.33774E-02 ppm1 8.560 ppm2 1.891 CV 1 ASSI { 1475} (( segid " " and resid 1844 and name H )) (( segid " " and resid 1845 and name H )) 5.000 3.100 1.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.13744E-03 ppm1 8.051 ppm2 8.263 CV 1 ASSI { 1477} (( segid " " and resid 1843 and name H )) (( segid " " and resid 1844 and name H )) 4.200 2.200 1.800 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.27488E-03 ppm1 8.490 ppm2 8.054 CV 1 ASSI { 1478} (( segid " " and resid 1845 and name H )) (( segid " " and resid 1845 and name HA )) 2.900 1.100 1.100 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.19606E-02 ppm1 8.261 ppm2 4.880 CV 1 ASSI { 1479} (( segid " " and resid 1843 and name H )) (( segid " " and resid 1843 and name HA )) 3.600 1.600 1.600 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.69733E-03 ppm1 8.489 ppm2 4.463 CV 1 ASSI { 1482} (( segid " " and resid 1843 and name H )) (( segid " " and resid 1843 and name HG3 )) 4.200 2.200 1.800 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.31328E-03 ppm1 8.487 ppm2 2.506 CV 1 ASSI { 1483} (( segid " " and resid 1845 and name H )) (( segid " " and resid 1845 and name HB2 )) 2.900 1.100 1.100 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.25629E-02 ppm1 8.261 ppm2 2.642 CV 1 ASSI { 1484} (( segid " " and resid 1845 and name H )) (( segid " " and resid 1845 and name HB3 )) 2.800 1.000 1.000 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.56351E-02 ppm1 8.261 ppm2 2.392 CV 1 ASSI { 1485} (( segid " " and resid 1843 and name H )) (( segid " " and resid 1842 and name HB2 )) 3.700 1.700 1.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.44871E-03 ppm1 8.492 ppm2 2.151 CV 1 ASSI { 1487} (( segid " " and resid 1844 and name H )) (( segid " " and resid 1843 and name HB3 )) 3.500 1.500 1.500 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.10753E-02 ppm1 8.050 ppm2 1.930 CV 1 ASSI { 1488} (( segid " " and resid 1843 and name H )) (( segid " " and resid 1843 and name HB2 )) 3.700 1.700 1.700 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.56594E-03 ppm1 8.488 ppm2 2.017 CV 1 ASSI { 1491} (( segid " " and resid 1839 and name H )) (( segid " " and resid 1837 and name H )) 4.300 2.300 1.700 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.24861E-03 ppm1 7.509 ppm2 8.221 CV 1 ASSI { 1493} (( segid " " and resid 1840 and name H )) (( segid " " and resid 1839 and name H )) 2.500 0.800 0.800 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.39757E-02 ppm1 7.334 ppm2 7.507 CV 1 ASSI { 1497} (( segid " " and resid 1839 and name H )) (( segid " " and resid 1838 and name HA )) 2.900 1.100 1.100 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.19909E-02 ppm1 7.507 ppm2 4.111 CV 1 ASSI { 1500} (( segid " " and resid 1840 and name H )) (( segid " " and resid 1837 and name HA )) 2.900 1.000 1.000 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.22112E-02 ppm1 7.334 ppm2 4.112 CV 1 ASSI { 1501} (( segid " " and resid 1841 and name H )) (( segid " " and resid 1841 and name HA2 )) 2.800 1.000 1.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.27327E-02 ppm1 8.358 ppm2 4.092 CV 1 ASSI { 1502} (( segid " " and resid 1841 and name H )) (( segid " " and resid 1841 and name HA3 )) 2.800 1.000 1.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.34684E-02 ppm1 8.358 ppm2 3.940 CV 1 ASSI { 1503} (( segid " " and resid 1841 and name H )) (( segid " " and resid 1842 and name HD2 )) 4.100 2.100 1.900 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.87318E-03 ppm1 8.359 ppm2 3.577 CV 1 OR { 1503} (( segid " " and resid 1841 and name H )) (( segid " " and resid 1842 and name HD3 )) ASSI { 1505} (( segid " " and resid 1839 and name H )) (( segid " " and resid 1839 and name HB3 )) 2.700 0.900 0.900 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.38403E-02 ppm1 7.507 ppm2 2.625 CV 1 ASSI { 1508} (( segid " " and resid 1841 and name H )) (( segid " " and resid 1840 and name HB2 )) 3.200 1.300 1.300 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.16675E-02 ppm1 8.358 ppm2 2.037 CV 1 ASSI { 1509} (( segid " " and resid 1841 and name H )) (( segid " " and resid 1840 and name HB3 )) 3.400 1.400 1.400 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.88734E-03 ppm1 8.357 ppm2 1.897 CV 1 ASSI { 1510} (( segid " " and resid 1840 and name H )) (( segid " " and resid 1840 and name HB2 )) 2.700 2.700 3.300 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.23466E-02 ppm1 7.334 ppm2 2.037 CV 1 ASSI { 1511} (( segid " " and resid 1840 and name H )) (( segid " " and resid 1840 and name HB3 )) 2.900 1.000 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.39131E-02 ppm1 7.334 ppm2 1.895 CV 1 ASSI { 1512} (( segid " " and resid 1839 and name H )) (( segid " " and resid 1837 and name HB3 )) 3.400 3.400 2.600 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.42041E-03 ppm1 7.504 ppm2 2.255 CV 1 ASSI { 1513} (( segid " " and resid 1839 and name H )) (( segid " " and resid 1838 and name HB2 )) 3.200 1.300 1.300 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.96007E-03 ppm1 7.506 ppm2 2.015 CV 1 ASSI { 1514} (( segid " " and resid 1839 and name H )) (( segid " " and resid 1838 and name HG )) 4.300 2.400 1.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.62051E-03 ppm1 7.507 ppm2 1.882 CV 1 ASSI { 1515} (( segid " " and resid 1839 and name H )) (( segid " " and resid 1838 and name HB3 )) 4.000 2.000 2.000 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.64474E-03 ppm1 7.507 ppm2 1.459 CV 1 ASSI { 1516} (( segid " " and resid 1839 and name H )) ( segid " " and resid 1838 and name HD2%) 3.300 1.400 1.400 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.49318E-03 ppm1 7.506 ppm2 0.952 CV 1 ASSI { 1517} (( segid " " and resid 1840 and name H )) ( segid " " and resid 1838 and name HD2%) 4.800 2.900 1.200 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.32542E-03 ppm1 7.331 ppm2 0.948 CV 1 ASSI { 1518} (( segid " " and resid 1839 and name H )) ( segid " " and resid 1835 and name HG2%) 4.800 2.900 1.200 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.20010E-03 ppm1 7.509 ppm2 0.788 CV 1 ASSI { 1520} (( segid " " and resid 1838 and name H )) (( segid " " and resid 1839 and name H )) 2.700 0.900 0.900 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.19222E-02 ppm1 7.390 ppm2 7.504 CV 1 ASSI { 1522} (( segid " " and resid 1837 and name H )) (( segid " " and resid 1838 and name H )) 2.700 0.900 0.900 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.25346E-02 ppm1 8.223 ppm2 7.388 CV 1 ASSI { 1523} (( segid " " and resid 1837 and name H )) (( segid " " and resid 1837 and name HA )) 2.500 0.800 0.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.53138E-02 ppm1 8.223 ppm2 4.114 CV 1 ASSI { 1524} (( segid " " and resid 1837 and name H )) (( segid " " and resid 1833 and name HA )) 4.800 2.900 1.200 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.13947E-03 ppm1 8.221 ppm2 4.017 CV 1 ASSI { 1526} (( segid " " and resid 1838 and name H )) (( segid " " and resid 1838 and name HA )) 2.500 0.800 0.800 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.36644E-02 ppm1 7.389 ppm2 4.109 CV 1 ASSI { 1527} (( segid " " and resid 1838 and name H )) (( segid " " and resid 1835 and name HA )) 4.000 2.000 2.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.30924E-03 ppm1 7.391 ppm2 3.584 CV 1 ASSI { 1528} (( segid " " and resid 1838 and name H )) (( segid " " and resid 1838 and name HB2 )) 2.400 0.700 0.700 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.28499E-02 ppm1 7.389 ppm2 2.011 CV 1 ASSI { 1531} (( segid " " and resid 1838 and name H )) (( segid " " and resid 1837 and name HG3 )) 3.500 1.500 1.500 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.24659E-03 ppm1 7.387 ppm2 2.578 CV 1 ASSI { 1536} (( segid " " and resid 1837 and name H )) (( segid " " and resid 1837 and name HB2 )) 3.500 1.500 1.500 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.29449E-02 ppm1 8.222 ppm2 2.063 CV 1 ASSI { 1537} (( segid " " and resid 1837 and name H )) (( segid " " and resid 1838 and name HG )) 4.300 2.300 1.700 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.75590E-03 ppm1 8.226 ppm2 1.887 CV 1 ASSI { 1538} (( segid " " and resid 1838 and name H )) (( segid " " and resid 1838 and name HB3 )) 3.600 1.600 1.600 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.18959E-02 ppm1 7.390 ppm2 1.457 CV 1 ASSI { 1539} (( segid " " and resid 1837 and name H )) ( segid " " and resid 1834 and name HB% ) 5.100 3.200 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.26074E-03 ppm1 8.223 ppm2 1.580 CV 1 ASSI { 1541} (( segid " " and resid 1838 and name H )) ( segid " " and resid 1835 and name HG2%) 4.900 3.000 1.100 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.23850E-03 ppm1 7.390 ppm2 0.790 CV 1 ASSI { 1542} (( segid " " and resid 1837 and name H )) ( segid " " and resid 1835 and name HG2%) 4.800 2.900 1.200 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.27084E-03 ppm1 8.218 ppm2 0.790 CV 1 ASSI { 1544} (( segid " " and resid 1836 and name H )) (( segid " " and resid 1834 and name H )) 4.400 2.400 1.600 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.29509E-03 ppm1 8.275 ppm2 7.768 CV 1 ASSI { 1545} (( segid " " and resid 1836 and name H )) (( segid " " and resid 1836 and name HD21)) 3.400 1.500 1.500 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.39211E-03 ppm1 8.280 ppm2 7.472 CV 1 ASSI { 1546} (( segid " " and resid 1922 and name H )) (( segid " " and resid 1925 and name HD2 )) 4.800 2.900 1.200 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.14553E-03 ppm1 8.453 ppm2 6.940 CV 1 ASSI { 1547} (( segid " " and resid 1836 and name H )) (( segid " " and resid 1836 and name HD22)) 5.800 4.200 0.200 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.24053E-03 ppm1 8.280 ppm2 6.782 CV 1 ASSI { 1549} (( segid " " and resid 1836 and name H )) (( segid " " and resid 1834 and name HA )) 4.000 2.000 2.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.42243E-03 ppm1 8.281 ppm2 4.113 CV 1 ASSI { 1550} (( segid " " and resid 1836 and name H )) (( segid " " and resid 1833 and name HA )) 3.300 1.400 1.400 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 8.279 ppm2 4.020 CV 1 ASSI { 1554} (( segid " " and resid 1836 and name H )) (( segid " " and resid 1837 and name HB3 )) 5.100 3.300 0.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.23850E-03 ppm1 8.282 ppm2 2.242 CV 1 ASSI { 1555} (( segid " " and resid 1836 and name H )) (( segid " " and resid 1835 and name HG13)) 4.300 2.300 1.700 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.63466E-03 ppm1 8.280 ppm2 2.058 CV 1 ASSI { 1556} (( segid " " and resid 1836 and name H )) (( segid " " and resid 1835 and name HB )) 2.700 0.900 0.900 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.28519E-02 ppm1 8.280 ppm2 1.931 CV 1 ASSI { 1557} (( segid " " and resid 1836 and name H )) ( segid " " and resid 1832 and name HG2%) 4.700 2.800 1.300 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.44264E-03 ppm1 8.279 ppm2 1.175 CV 1 ASSI { 1558} (( segid " " and resid 1836 and name H )) (( segid " " and resid 1835 and name HG12)) 5.000 3.200 1.000 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.39615E-03 ppm1 8.282 ppm2 0.952 CV 1 ASSI { 1561} (( segid " " and resid 1834 and name H )) (( segid " " and resid 1833 and name H )) 2.700 0.900 0.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.31066E-02 ppm1 7.770 ppm2 8.199 CV 1 ASSI { 1563} (( segid " " and resid 1834 and name H )) (( segid " " and resid 1835 and name H )) 2.800 1.000 1.000 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.17908E-02 ppm1 7.769 ppm2 8.439 CV 1 ASSI { 1567} (( segid " " and resid 1834 and name H )) ( segid " " and resid 1893 and name HE% ) 5.300 3.500 0.700 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.17382E-03 ppm1 7.768 ppm2 6.641 CV 1 ASSI { 1568} (( segid " " and resid 1833 and name H )) (( segid " " and resid 1832 and name HB )) 2.600 0.800 0.800 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.33208E-02 ppm1 8.199 ppm2 4.339 CV 1 ASSI { 1569} (( segid " " and resid 1833 and name H )) (( segid " " and resid 1830 and name HA )) 3.400 1.400 1.400 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.10712E-02 ppm1 8.198 ppm2 4.137 CV 1 ASSI { 1571} (( segid " " and resid 1834 and name H )) (( segid " " and resid 1832 and name HB )) 5.600 4.000 0.400 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.13947E-03 ppm1 7.767 ppm2 4.336 CV 1 ASSI { 1574} (( segid " " and resid 1834 and name H )) (( segid " " and resid 1831 and name HA )) 3.300 1.400 1.400 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.96612E-03 ppm1 7.770 ppm2 3.797 CV 1 ASSI { 1575} (( segid " " and resid 1833 and name H )) (( segid " " and resid 1832 and name HA )) 3.500 1.600 1.600 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.80443E-03 ppm1 8.200 ppm2 3.650 CV 1 ASSI { 1581} (( segid " " and resid 1834 and name H )) (( segid " " and resid 1833 and name HB3 )) 2.500 0.800 0.800 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.41031E-02 ppm1 7.770 ppm2 2.108 CV 1 ASSI { 1582} (( segid " " and resid 1834 and name H )) (( segid " " and resid 1835 and name HB )) 5.000 3.100 1.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.29914E-03 ppm1 7.770 ppm2 1.936 CV 1 ASSI { 1586} (( segid " " and resid 1834 and name H )) ( segid " " and resid 1832 and name HG2%) 5.400 3.600 0.600 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.14351E-03 ppm1 7.770 ppm2 1.177 CV 1 ASSI { 1588} (( segid " " and resid 1834 and name H )) ( segid " " and resid 1831 and name HG2%) 4.200 2.200 1.800 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.40829E-03 ppm1 7.771 ppm2 0.597 CV 1 ASSI { 1589} (( segid " " and resid 1833 and name H )) ( segid " " and resid 1831 and name HG2%) 4.800 2.900 1.200 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.23244E-03 ppm1 8.196 ppm2 0.598 CV 1 ASSI { 1593} (( segid " " and resid 1831 and name H )) (( segid " " and resid 1833 and name H )) 4.100 2.100 1.900 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.40424E-03 ppm1 8.306 ppm2 8.208 CV 1 ASSI { 1595} (( segid " " and resid 1831 and name H )) (( segid " " and resid 1830 and name HA )) 3.400 1.400 1.400 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.99643E-03 ppm1 8.306 ppm2 4.149 CV 1 ASSI { 1597} (( segid " " and resid 1831 and name H )) (( segid " " and resid 1830 and name HB3 )) 3.300 1.300 1.300 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.11804E-02 ppm1 8.305 ppm2 3.961 CV 1 ASSI { 1598} (( segid " " and resid 1831 and name H )) (( segid " " and resid 1831 and name HA )) 2.900 1.000 1.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.19485E-02 ppm1 8.306 ppm2 3.798 CV 1 ASSI { 1599} (( segid " " and resid 1832 and name H )) (( segid " " and resid 1830 and name HB2 )) 3.800 1.800 1.800 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.20616E-03 ppm1 8.613 ppm2 4.009 CV 1 ASSI { 1601} (( segid " " and resid 1831 and name H )) (( segid " " and resid 1831 and name HB )) 2.600 0.900 0.900 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.28479E-02 ppm1 8.305 ppm2 1.766 CV 1 ASSI { 1602} (( segid " " and resid 1831 and name H )) ( segid " " and resid 1834 and name HB% ) 4.700 2.800 1.300 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.24457E-03 ppm1 8.304 ppm2 1.579 CV 1 ASSI { 1603} (( segid " " and resid 1831 and name H )) (( segid " " and resid 1831 and name HG13)) 2.700 0.900 0.900 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.21789E-02 ppm1 8.305 ppm2 2.080 CV 1 OR { 1603} (( segid " " and resid 1831 and name H )) (( segid " " and resid 1831 and name HG12)) ASSI { 1606} (( segid " " and resid 1830 and name H )) (( segid " " and resid 1829 and name H )) 2.700 0.900 0.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.30399E-02 ppm1 7.844 ppm2 8.367 CV 1 ASSI { 1607} (( segid " " and resid 1830 and name H )) (( segid " " and resid 1831 and name H )) 2.700 0.900 0.900 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.27549E-02 ppm1 7.844 ppm2 8.318 CV 1 ASSI { 1609} (( segid " " and resid 1830 and name H )) (( segid " " and resid 1828 and name H )) 4.400 2.400 1.600 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.30520E-03 ppm1 7.845 ppm2 8.158 CV 1 ASSI { 1610} (( segid " " and resid 1829 and name H )) (( segid " " and resid 1828 and name H )) 2.700 0.900 0.900 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.24719E-02 ppm1 8.375 ppm2 8.152 CV 1 ASSI { 1612} (( segid " " and resid 1829 and name H )) (( segid " " and resid 1827 and name H )) 4.900 3.000 1.100 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.17585E-03 ppm1 8.373 ppm2 7.668 CV 1 ASSI { 1613} (( segid " " and resid 1829 and name H )) (( segid " " and resid 1829 and name HA )) 2.700 0.900 0.900 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.35149E-02 ppm1 8.374 ppm2 4.361 CV 1 ASSI { 1614} (( segid " " and resid 1816 and name H )) (( segid " " and resid 1816 and name HA )) 3.100 1.200 1.200 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.17706E-02 ppm1 8.395 ppm2 4.158 CV 1 ASSI { 1615} (( segid " " and resid 1829 and name H )) (( segid " " and resid 1826 and name HA2 )) 3.400 1.400 1.400 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.89538E-03 ppm1 8.373 ppm2 3.939 CV 1 ASSI { 1617} (( segid " " and resid 1829 and name H )) (( segid " " and resid 1825 and name HA2 )) 3.600 1.600 1.600 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.28297E-03 ppm1 8.371 ppm2 3.726 CV 1 ASSI { 1618} (( segid " " and resid 1830 and name H )) (( segid " " and resid 1830 and name HA )) 2.600 0.800 0.800 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.50692E-02 ppm1 7.844 ppm2 4.149 CV 1 ASSI { 1619} (( segid " " and resid 1830 and name H )) (( segid " " and resid 1830 and name HB2 )) 2.500 0.800 0.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.42142E-02 ppm1 7.844 ppm2 4.019 CV 1 ASSI { 1620} (( segid " " and resid 1830 and name H )) (( segid " " and resid 1830 and name HB3 )) 3.000 1.100 1.100 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.37716E-02 ppm1 7.844 ppm2 3.963 CV 1 ASSI { 1623} (( segid " " and resid 1829 and name H )) (( segid " " and resid 1829 and name HB3 )) 2.600 0.900 0.900 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.45699E-02 ppm1 8.375 ppm2 2.734 CV 1 ASSI { 1625} (( segid " " and resid 1830 and name H )) (( segid " " and resid 1829 and name HB3 )) 2.800 1.000 1.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.21708E-02 ppm1 7.844 ppm2 2.735 CV 1 ASSI { 1626} (( segid " " and resid 1830 and name H )) (( segid " " and resid 1829 and name HB2 )) 3.600 1.600 1.600 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.21627E-02 ppm1 7.844 ppm2 2.623 CV 1 ASSI { 1627} (( segid " " and resid 1816 and name H )) (( segid " " and resid 1816 and name HG2 )) 3.800 1.800 1.800 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.57200E-03 ppm1 8.395 ppm2 2.213 CV 1 OR { 1627} (( segid " " and resid 1816 and name H )) (( segid " " and resid 1816 and name HG3 )) ASSI { 1628} (( segid " " and resid 1816 and name H )) (( segid " " and resid 1816 and name HB3 )) 3.200 1.300 1.300 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.14835E-02 ppm1 8.396 ppm2 1.892 CV 1 ASSI { 1629} (( segid " " and resid 1830 and name H )) (( segid " " and resid 1831 and name HG13)) 3.800 1.800 1.800 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.90143E-03 ppm1 7.845 ppm2 2.083 CV 1 ASSI { 1631} (( segid " " and resid 1829 and name H )) ( segid " " and resid 1828 and name HG2%) 3.400 1.500 1.500 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.18191E-02 ppm1 8.374 ppm2 0.843 CV 1 ASSI { 1632} (( segid " " and resid 1830 and name H )) ( segid " " and resid 1828 and name HG1%) 4.900 3.000 1.100 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.33148E-03 ppm1 7.849 ppm2 0.929 CV 1 ASSI { 1633} (( segid " " and resid 1830 and name H )) ( segid " " and resid 1828 and name HG2%) 4.300 2.300 1.700 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.46286E-03 ppm1 7.845 ppm2 0.836 CV 1 ASSI { 1636} (( segid " " and resid 1827 and name H )) (( segid " " and resid 1827 and name HA )) 3.000 1.100 1.100 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.18453E-02 ppm1 7.670 ppm2 4.168 CV 1 ASSI { 1637} (( segid " " and resid 1827 and name H )) (( segid " " and resid 1827 and name HG2 )) 2.800 1.000 1.000 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.30844E-02 ppm1 7.669 ppm2 2.613 CV 1 OR { 1637} (( segid " " and resid 1827 and name H )) (( segid " " and resid 1827 and name HG3 )) ASSI { 1638} (( segid " " and resid 1827 and name H )) (( segid " " and resid 1827 and name HB3 )) 3.200 1.200 1.200 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.12896E-02 ppm1 7.669 ppm2 2.333 CV 1 ASSI { 1639} (( segid " " and resid 1827 and name H )) (( segid " " and resid 1827 and name HB2 )) 3.100 1.200 1.200 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.20435E-02 ppm1 7.669 ppm2 2.194 CV 1 ASSI { 1642} (( segid " " and resid 1827 and name H )) ( segid " " and resid 1828 and name HG1%) 3.700 1.700 1.700 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.16857E-02 ppm1 7.668 ppm2 0.934 CV 1 ASSI { 1644} (( segid " " and resid 1826 and name H )) (( segid " " and resid 1827 and name H )) 3.200 1.300 1.300 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.10228E-02 ppm1 8.105 ppm2 7.669 CV 1 ASSI { 1645} (( segid " " and resid 1825 and name H )) (( segid " " and resid 1824 and name HA )) 3.100 1.200 1.200 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.14371E-02 ppm1 8.172 ppm2 4.016 CV 1 ASSI { 1646} (( segid " " and resid 1825 and name H )) (( segid " " and resid 1825 and name HA3 )) 2.500 0.800 0.800 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.49964E-02 ppm1 8.172 ppm2 3.871 CV 1 ASSI { 1647} (( segid " " and resid 1825 and name H )) (( segid " " and resid 1825 and name HA2 )) 2.900 1.100 1.100 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.34300E-02 ppm1 8.172 ppm2 3.725 CV 1 ASSI { 1649} (( segid " " and resid 1826 and name H )) (( segid " " and resid 1825 and name HA2 )) 3.500 1.500 1.500 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.65086E-03 ppm1 8.103 ppm2 3.721 CV 1 ASSI { 1650} (( segid " " and resid 1826 and name H )) (( segid " " and resid 1827 and name HB2 )) 5.300 3.500 0.700 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.22436E-03 ppm1 8.101 ppm2 2.190 CV 1 ASSI { 1651} (( segid " " and resid 1826 and name H )) (( segid " " and resid 1829 and name HB2 )) 4.300 2.300 1.700 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.32946E-03 ppm1 8.104 ppm2 2.625 CV 1 ASSI { 1652} (( segid " " and resid 1825 and name H )) (( segid " " and resid 1824 and name HB )) 3.200 1.300 1.300 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.17342E-02 ppm1 8.172 ppm2 2.175 CV 1 ASSI { 1653} (( segid " " and resid 1825 and name H )) (( segid " " and resid 1828 and name HB )) 4.500 2.500 1.500 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.30318E-03 ppm1 8.170 ppm2 2.055 CV 1 ASSI { 1654} (( segid " " and resid 1825 and name H )) ( segid " " and resid 1821 and name HB% ) 3.800 1.800 1.800 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.22233E-03 ppm1 8.172 ppm2 1.349 CV 1 ASSI { 1656} (( segid " " and resid 1826 and name H )) ( segid " " and resid 1828 and name HG1%) 3.700 1.700 1.700 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.54775E-03 ppm1 8.103 ppm2 0.923 CV 1 ASSI { 1657} (( segid " " and resid 1949 and name H )) (( segid " " and resid 1949 and name HA )) 2.500 0.800 0.800 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.53319E-02 ppm1 8.050 ppm2 3.999 CV 1 ASSI { 1659} (( segid " " and resid 1822 and name H )) (( segid " " and resid 1823 and name H )) 3.700 1.700 1.700 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.51945E-03 ppm1 8.124 ppm2 7.929 CV 1 ASSI { 1660} (( segid " " and resid 1822 and name H )) (( segid " " and resid 1821 and name HA )) 3.200 1.300 1.300 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.14573E-02 ppm1 8.123 ppm2 4.168 CV 1 ASSI { 1661} (( segid " " and resid 1822 and name H )) ( segid " " and resid 1821 and name HB% ) 3.200 1.300 1.300 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.14917E-02 ppm1 8.122 ppm2 1.347 CV 1 ASSI { 1662} (( segid " " and resid 1822 and name H )) ( segid " " and resid 1823 and name HG1%) 4.600 2.700 1.400 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.38201E-03 ppm1 8.123 ppm2 0.927 CV 1 ASSI { 1664} (( segid " " and resid 1821 and name H )) ( segid " " and resid 1823 and name HG1%) 4.400 2.400 1.600 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.43860E-03 ppm1 8.061 ppm2 0.930 CV 1 ASSI { 1666} (( segid " " and resid 1820 and name H )) (( segid " " and resid 1819 and name HA )) 3.300 1.400 1.400 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.12289E-02 ppm1 8.228 ppm2 4.344 CV 1 ASSI { 1667} (( segid " " and resid 1820 and name H )) (( segid " " and resid 1820 and name HA )) 3.300 1.400 1.400 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.11440E-02 ppm1 8.228 ppm2 4.201 CV 1 ASSI { 1668} (( segid " " and resid 1819 and name H )) (( segid " " and resid 1819 and name HA )) 3.400 1.500 1.500 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.95402E-03 ppm1 8.065 ppm2 4.344 CV 1 ASSI { 1669} (( segid " " and resid 1819 and name H )) (( segid " " and resid 1818 and name HA )) 3.200 1.300 1.300 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.15482E-02 ppm1 8.064 ppm2 4.231 CV 1 ASSI { 1670} (( segid " " and resid 1819 and name H )) (( segid " " and resid 1819 and name HB2 )) 3.600 1.600 1.600 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.74985E-03 ppm1 8.064 ppm2 3.891 CV 1 ASSI { 1671} (( segid " " and resid 1819 and name H )) (( segid " " and resid 1819 and name HB3 )) 3.800 1.800 1.800 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.63062E-03 ppm1 8.064 ppm2 3.832 CV 1 ASSI { 1672} (( segid " " and resid 1820 and name H )) (( segid " " and resid 1819 and name HB2 )) 4.300 2.300 1.700 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.39615E-03 ppm1 8.229 ppm2 3.896 CV 1 ASSI { 1673} (( segid " " and resid 1819 and name H )) ( segid " " and resid 1818 and name HB% ) 3.400 1.500 1.500 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.10874E-02 ppm1 8.064 ppm2 1.353 CV 1 ASSI { 1674} (( segid " " and resid 1820 and name H )) ( segid " " and resid 1820 and name HB% ) 3.000 1.100 1.100 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.25104E-02 ppm1 8.227 ppm2 1.351 CV 1 ASSI { 1675} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1818 and name H )) 4.500 2.500 1.500 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.20212E-03 ppm1 8.195 ppm2 8.061 CV 1 ASSI { 1677} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1816 and name HA )) 2.600 0.900 0.900 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.44931E-02 ppm1 8.197 ppm2 4.169 CV 1 ASSI { 1678} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1816 and name HG2 )) 4.800 2.800 1.200 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.18797E-03 ppm1 8.196 ppm2 2.210 CV 1 OR { 1678} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1816 and name HG3 )) ASSI { 1679} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1816 and name HB2 )) 3.800 1.800 1.800 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.72964E-03 ppm1 8.196 ppm2 2.001 CV 1 ASSI { 1680} (( segid " " and resid 1817 and name H )) (( segid " " and resid 1816 and name HB3 )) 4.000 2.000 2.000 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.64474E-03 ppm1 8.197 ppm2 1.891 CV 1 ASSI { 1681} (( segid " " and resid 1817 and name H )) ( segid " " and resid 1817 and name HB% ) 2.600 0.900 0.900 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.55826E-02 ppm1 8.197 ppm2 1.340 CV 1 ASSI { 1683} (( segid " " and resid 1814 and name H )) (( segid " " and resid 1813 and name H )) 3.600 1.600 1.600 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.83275E-03 ppm1 7.758 ppm2 8.203 CV 1 ASSI { 1684} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1813 and name HA )) 3.000 1.100 1.100 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.20435E-02 ppm1 8.202 ppm2 4.579 CV 1 ASSI { 1685} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1812 and name HA )) 2.800 1.000 1.000 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.30601E-02 ppm1 8.201 ppm2 4.272 CV 1 ASSI { 1686} (( segid " " and resid 1814 and name H )) (( segid " " and resid 1813 and name HA )) 3.000 1.100 1.100 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 7.759 ppm2 4.578 CV 1 ASSI { 1687} (( segid " " and resid 1814 and name H )) (( segid " " and resid 1814 and name HB )) 3.800 1.800 1.800 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.67107E-03 ppm1 7.759 ppm2 4.155 CV 1 ASSI { 1688} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1812 and name HD3 )) 3.900 1.900 1.900 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.84080E-03 ppm1 8.202 ppm2 3.670 CV 1 ASSI { 1689} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1813 and name HB2 )) 3.200 1.300 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 8.202 ppm2 3.160 CV 1 ASSI { 1690} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1813 and name HB3 )) 3.200 1.300 1.300 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.29833E-02 ppm1 8.202 ppm2 3.034 CV 1 ASSI { 1691} (( segid " " and resid 1814 and name H )) (( segid " " and resid 1813 and name HB2 )) 4.400 2.400 1.600 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.24861E-03 ppm1 7.759 ppm2 3.160 CV 1 ASSI { 1692} (( segid " " and resid 1814 and name H )) (( segid " " and resid 1813 and name HB3 )) 4.300 2.300 1.700 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.33552E-03 ppm1 7.760 ppm2 3.033 CV 1 ASSI { 1693} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1812 and name HG3 )) 4.600 2.600 1.400 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.50935E-03 ppm1 8.201 ppm2 1.663 CV 1 ASSI { 1694} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1812 and name HB3 )) 4.100 2.100 1.900 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.65691E-03 ppm1 8.202 ppm2 1.560 CV 1 ASSI { 1695} (( segid " " and resid 1813 and name H )) (( segid " " and resid 1812 and name HB2 )) 4.300 2.400 1.700 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.18797E-03 ppm1 8.198 ppm2 2.074 CV 1 ASSI { 1696} (( segid " " and resid 1814 and name H )) ( segid " " and resid 1814 and name HG2%) 3.400 1.400 1.400 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.11864E-02 ppm1 7.759 ppm2 1.132 CV 1 ASSI { 1697} (( segid " " and resid 1813 and name H )) ( segid " " and resid 1814 and name HG2%) 4.800 2.900 1.200 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.20212E-03 ppm1 8.203 ppm2 1.131 CV 1 ASSI { 1698} (( segid " " and resid 1811 and name H )) (( segid " " and resid 1811 and name HA )) 3.700 1.700 1.700 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.54168E-03 ppm1 8.369 ppm2 4.818 CV 1 ASSI { 1700} (( segid " " and resid 1811 and name H )) (( segid " " and resid 1811 and name HB3 )) 3.200 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.18272E-02 ppm1 8.363 ppm2 2.485 CV 1 ASSI { 1701} (( segid " " and resid 1811 and name H )) (( segid " " and resid 1810 and name HB )) 4.000 2.000 2.000 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.39817E-03 ppm1 8.363 ppm2 1.750 CV 1 ASSI { 1702} (( segid " " and resid 1811 and name H )) ( segid " " and resid 1810 and name HG2%) 4.100 2.100 1.900 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.50328E-03 ppm1 8.363 ppm2 0.796 CV 1 ASSI { 1703} (( segid " " and resid 1824 and name H )) (( segid " " and resid 1825 and name H )) 3.000 1.100 1.100 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 8.051 ppm2 8.171 CV 1 ASSI { 1704} (( segid " " and resid 1824 and name H )) (( segid " " and resid 1823 and name H )) 3.200 1.300 1.300 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.13017E-02 ppm1 8.049 ppm2 7.935 CV 1 ASSI { 1705} (( segid " " and resid 1826 and name H )) (( segid " " and resid 1826 and name HA2 )) 3.000 1.100 1.100 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.23709E-02 ppm1 8.105 ppm2 3.951 CV 1 ASSI { 1706} (( segid " " and resid 1824 and name H )) (( segid " " and resid 1825 and name HA3 )) 4.300 2.300 1.700 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.74380E-03 ppm1 8.051 ppm2 3.878 CV 1 ASSI { 1707} (( segid " " and resid 1824 and name H )) (( segid " " and resid 1825 and name HA2 )) 5.000 3.100 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.31126E-03 ppm1 8.057 ppm2 3.724 CV 1 ASSI { 1708} (( segid " " and resid 1823 and name H )) (( segid " " and resid 1821 and name HA )) 4.400 2.400 1.600 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.33148E-03 ppm1 7.929 ppm2 4.186 CV 1 ASSI { 1709} (( segid " " and resid 1823 and name H )) ( segid " " and resid 1821 and name HB% ) 4.100 2.100 1.900 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.34967E-03 ppm1 7.929 ppm2 1.351 CV 1 ASSI { 1714} (( segid " " and resid 1854 and name HE21)) ( segid " " and resid 1858 and name HG1%) 4.000 2.000 2.000 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.53562E-03 ppm1 7.523 ppm2 1.016 CV 1 ASSI { 1715} (( segid " " and resid 1854 and name HE21)) ( segid " " and resid 1968 and name HD1%) 4.500 2.500 1.500 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.32946E-03 ppm1 7.521 ppm2 0.913 CV 1 OR { 1715} (( segid " " and resid 1854 and name HE21)) ( segid " " and resid 1968 and name HD2%) ASSI { 1716} (( segid " " and resid 1854 and name HE21)) (( segid " " and resid 1968 and name HB3 )) 3.100 1.200 1.200 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.52147E-03 ppm1 7.522 ppm2 1.417 CV 1 ASSI { 1717} (( segid " " and resid 1854 and name HE21)) (( segid " " and resid 1854 and name HB2 )) 3.800 3.800 2.200 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.41435E-03 ppm1 7.521 ppm2 1.303 CV 1 ASSI { 1718} (( segid " " and resid 1854 and name HE22)) ( segid " " and resid 1858 and name HG1%) 4.700 2.800 1.300 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.51945E-03 ppm1 6.952 ppm2 1.017 CV 1 ASSI { 1719} (( segid " " and resid 1854 and name HE22)) ( segid " " and resid 1968 and name HD1%) 5.000 3.100 1.000 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.42648E-03 ppm1 6.950 ppm2 0.916 CV 1 ASSI { 1720} (( segid " " and resid 1854 and name HE22)) (( segid " " and resid 1968 and name HB3 )) 4.800 2.800 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.45477E-03 ppm1 6.951 ppm2 1.419 CV 1 ASSI { 1721} (( segid " " and resid 1854 and name HE22)) (( segid " " and resid 1854 and name HB2 )) 4.400 2.400 1.600 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.35169E-03 ppm1 6.951 ppm2 1.303 CV 1 ASSI { 1722} (( segid " " and resid 1854 and name HE22)) (( segid " " and resid 1968 and name HG )) 6.000 4.900 0.000 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.23648E-03 ppm1 6.953 ppm2 0.792 CV 1 ASSI { 1723} (( segid " " and resid 1854 and name HE21)) (( segid " " and resid 1968 and name HG )) 5.100 3.300 0.900 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.22840E-03 ppm1 7.521 ppm2 0.794 CV 1 ASSI { 1724} (( segid " " and resid 1854 and name HE21)) (( segid " " and resid 1969 and name HA )) 3.300 1.400 1.400 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.12997E-02 ppm1 7.523 ppm2 4.179 CV 1 ASSI { 1726} (( segid " " and resid 1854 and name HE21)) ( segid " " and resid 1850 and name HE% ) 3.500 1.500 1.500 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.95601E-03 ppm1 7.524 ppm2 7.157 CV 1 ASSI { 1727} (( segid " " and resid 1854 and name HE22)) ( segid " " and resid 1850 and name HE% ) 3.200 1.300 1.300 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.84691E-03 ppm1 6.952 ppm2 7.157 CV 1 ASSI { 1728} (( segid " " and resid 1837 and name HE22)) (( segid " " and resid 1838 and name HG )) 5.500 3.800 0.500 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.22031E-03 ppm1 6.678 ppm2 1.880 CV 1 ASSI { 1729} (( segid " " and resid 1837 and name HE22)) ( segid " " and resid 1834 and name HB% ) 5.200 3.400 0.800 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.14755E-03 ppm1 6.682 ppm2 1.581 CV 1 ASSI { 1730} (( segid " " and resid 1837 and name HE22)) (( segid " " and resid 1837 and name HG3 )) 4.700 2.700 1.300 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.37594E-03 ppm1 6.679 ppm2 2.560 CV 1 ASSI { 1733} (( segid " " and resid 1837 and name HE21)) (( segid " " and resid 1837 and name HG2 )) 3.100 1.200 1.200 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.10430E-02 ppm1 7.434 ppm2 2.462 CV 1 ASSI { 1734} (( segid " " and resid 1837 and name HE21)) (( segid " " and resid 1837 and name HB3 )) 5.300 3.600 0.700 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.15968E-03 ppm1 7.436 ppm2 2.249 CV 1 ASSI { 1735} (( segid " " and resid 1837 and name HE21)) (( segid " " and resid 1837 and name HB2 )) 4.600 2.600 1.400 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.28499E-03 ppm1 7.435 ppm2 2.081 CV 1 ASSI { 1736} (( segid " " and resid 1837 and name HE21)) (( segid " " and resid 1838 and name HG )) 3.700 1.700 1.700 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.33148E-03 ppm1 7.433 ppm2 1.868 CV 1 ASSI { 1737} (( segid " " and resid 1837 and name HE21)) ( segid " " and resid 1834 and name HB% ) 4.100 2.100 1.900 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.32137E-03 ppm1 7.434 ppm2 1.578 CV 1 ASSI { 1738} (( segid " " and resid 1837 and name HE22)) ( segid " " and resid 1838 and name HD1%) 4.600 2.600 1.400 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.68517E-03 ppm1 6.679 ppm2 0.969 CV 1 ASSI { 1739} (( segid " " and resid 1837 and name HE21)) ( segid " " and resid 1838 and name HD1%) 3.500 1.500 1.500 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 7.435 ppm2 0.975 CV 1 ASSI { 1740} (( segid " " and resid 1837 and name HE21)) ( segid " " and resid 1920 and name HG1%) 5.000 3.200 1.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.16170E-03 ppm1 7.440 ppm2 0.810 CV 1 ASSI { 1741} (( segid " " and resid 1837 and name HE21)) (( segid " " and resid 1834 and name HA )) 3.400 1.500 1.500 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.77611E-03 ppm1 7.435 ppm2 4.113 CV 1 ASSI { 1742} (( segid " " and resid 1837 and name HE22)) (( segid " " and resid 1838 and name HA )) 5.200 3.400 0.800 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.30722E-03 ppm1 6.678 ppm2 4.123 CV 1 ASSI { 1744} (( segid " " and resid 1837 and name HE22)) (( segid " " and resid 1837 and name HE21)) 1.600 0.300 0.600 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.29509E-01 ppm1 6.679 ppm2 7.433 CV 1 ASSI { 1745} (( segid " " and resid 1869 and name HE22)) (( segid " " and resid 1869 and name HE21)) 1.500 0.300 0.700 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.36820E-01 ppm1 6.789 ppm2 7.290 CV 1 ASSI { 1749} (( segid " " and resid 1869 and name HE21)) (( segid " " and resid 1870 and name HG3 )) 5.100 3.300 0.900 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.24053E-03 ppm1 7.292 ppm2 2.244 CV 1 OR { 1749} (( segid " " and resid 1869 and name HE21)) (( segid " " and resid 1870 and name HB3 )) ASSI { 1750} (( segid " " and resid 1869 and name HE22)) (( segid " " and resid 1870 and name HG3 )) 6.000 4.600 0.000 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.14957E-03 ppm1 6.791 ppm2 2.245 CV 1 ASSI { 1751} (( segid " " and resid 1869 and name HE21)) ( segid " " and resid 1873 and name HG2%) 4.300 2.300 1.700 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.35371E-03 ppm1 7.290 ppm2 1.183 CV 1 ASSI { 1752} (( segid " " and resid 1869 and name HE21)) ( segid " " and resid 1866 and name HG2%) 4.500 2.600 1.500 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.77412E-03 ppm1 7.289 ppm2 0.914 CV 1 ASSI { 1754} (( segid " " and resid 1888 and name HE22)) (( segid " " and resid 1888 and name HB3 )) 4.800 2.800 1.200 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.30520E-03 ppm1 6.748 ppm2 2.228 CV 1 OR { 1754} (( segid " " and resid 1888 and name HE22)) (( segid " " and resid 1888 and name HB2 )) ASSI { 1757} (( segid " " and resid 1888 and name HE22)) ( segid " " and resid 1867 and name HG2%) 3.400 1.500 1.500 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.39009E-03 ppm1 6.752 ppm2 1.174 CV 1 ASSI { 1758} (( segid " " and resid 1888 and name HE21)) ( segid " " and resid 1867 and name HG2%) 4.100 2.100 1.900 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.60636E-03 ppm1 7.680 ppm2 1.174 CV 1 ASSI { 1759} (( segid " " and resid 1888 and name HE21)) ( segid " " and resid 1863 and name HB% ) 3.800 1.800 1.800 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.28297E-03 ppm1 7.681 ppm2 1.522 CV 1 ASSI { 1760} (( segid " " and resid 1888 and name HE22)) (( segid " " and resid 1888 and name HA )) 3.400 3.400 2.600 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.38807E-03 ppm1 6.751 ppm2 3.924 CV 1 ASSI { 1763} (( segid " " and resid 1888 and name HE22)) (( segid " " and resid 1888 and name HE21)) 1.600 0.300 0.600 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.34528E-01 ppm1 6.749 ppm2 7.676 CV 1 ASSI { 1765} (( segid " " and resid 1899 and name HE22)) ( segid " " and resid 1856 and name HG2%) 3.500 1.500 1.500 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.52551E-03 ppm1 6.286 ppm2 1.143 CV 1 ASSI { 1767} (( segid " " and resid 1899 and name HE21)) (( segid " " and resid 1899 and name HA )) 4.700 2.800 1.300 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.27286E-03 ppm1 7.175 ppm2 4.130 CV 1 ASSI { 1769} (( segid " " and resid 1899 and name HE22)) (( segid " " and resid 1899 and name HE21)) 1.800 0.400 0.400 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.12295E-01 ppm1 6.286 ppm2 7.176 CV 1 ASSI { 1770} (( segid " " and resid 1921 and name HE22)) ( segid " " and resid 1835 and name HG2%) 3.300 1.300 1.300 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.71149E-03 ppm1 7.301 ppm2 0.789 CV 1 ASSI { 1771} (( segid " " and resid 1921 and name HE21)) ( segid " " and resid 1835 and name HG2%) 3.500 1.500 1.500 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.87723E-03 ppm1 7.259 ppm2 0.787 CV 1 ASSI { 1772} (( segid " " and resid 1921 and name HE22)) ( segid " " and resid 1838 and name HD1%) 4.700 2.700 1.300 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.27084E-03 ppm1 7.313 ppm2 0.964 CV 1 ASSI { 1774} (( segid " " and resid 1921 and name HE22)) (( segid " " and resid 1838 and name HB3 )) 5.100 3.200 0.900 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.23850E-03 ppm1 7.306 ppm2 1.465 CV 1 ASSI { 1775} (( segid " " and resid 1921 and name HE21)) (( segid " " and resid 1838 and name HB3 )) 4.900 3.000 1.100 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.30722E-03 ppm1 7.257 ppm2 1.452 CV 1 ASSI { 1777} (( segid " " and resid 1921 and name HE21)) (( segid " " and resid 1838 and name HB2 )) 3.700 1.800 1.800 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.51339E-03 ppm1 7.260 ppm2 2.001 CV 1 ASSI { 1778} (( segid " " and resid 1921 and name HE22)) (( segid " " and resid 1921 and name HB3 )) 3.700 1.700 1.700 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.10086E-02 ppm1 7.302 ppm2 2.131 CV 1 OR { 1778} (( segid " " and resid 1921 and name HE22)) (( segid " " and resid 1921 and name HG3 )) ASSI { 1779} (( segid " " and resid 1921 and name HE21)) (( segid " " and resid 1921 and name HB3 )) 3.300 1.400 1.400 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.12814E-02 ppm1 7.259 ppm2 2.128 CV 1 OR { 1779} (( segid " " and resid 1921 and name HE21)) (( segid " " and resid 1921 and name HG3 )) ASSI { 1780} (( segid " " and resid 1921 and name HE22)) (( segid " " and resid 1921 and name HG2 )) 4.300 2.300 1.700 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.47094E-03 ppm1 7.299 ppm2 2.749 CV 1 ASSI { 1783} (( segid " " and resid 1938 and name HE22)) (( segid " " and resid 1883 and name H )) 4.300 2.300 1.700 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.20818E-03 ppm1 7.063 ppm2 7.799 CV 1 ASSI { 1785} (( segid " " and resid 1938 and name HE22)) (( segid " " and resid 1938 and name HE21)) 1.600 0.300 0.600 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.28887E-01 ppm1 7.065 ppm2 6.669 CV 1 ASSI { 1788} (( segid " " and resid 1938 and name HE22)) (( segid " " and resid 1883 and name HA2 )) 3.900 1.900 1.900 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.49722E-03 ppm1 7.063 ppm2 3.719 CV 1 ASSI { 1789} (( segid " " and resid 1938 and name HE21)) (( segid " " and resid 1938 and name HB3 )) 4.500 2.500 1.500 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.19201E-03 ppm1 6.670 ppm2 2.118 CV 1 ASSI { 1790} (( segid " " and resid 1938 and name HE22)) (( segid " " and resid 1938 and name HB2 )) 5.300 3.500 0.700 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.20616E-03 ppm1 7.065 ppm2 2.203 CV 1 ASSI { 1791} (( segid " " and resid 1938 and name HE22)) (( segid " " and resid 1938 and name HB3 )) 4.700 2.800 1.300 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.35977E-03 ppm1 7.063 ppm2 2.112 CV 1 ASSI { 1792} (( segid " " and resid 1938 and name HE21)) ( segid " " and resid 1934 and name HB% ) 3.800 3.800 2.200 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.21425E-03 ppm1 6.669 ppm2 1.337 CV 1 ASSI { 1793} (( segid " " and resid 1938 and name HE22)) ( segid " " and resid 1823 and name HG2%) 3.100 1.200 1.200 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.70943E-03 ppm1 7.064 ppm2 0.926 CV 1 ASSI { 1794} (( segid " " and resid 1938 and name HE21)) ( segid " " and resid 1823 and name HG2%) 3.300 1.400 1.400 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.49924E-03 ppm1 6.670 ppm2 0.925 CV 1 ASSI { 1795} (( segid " " and resid 1969 and name HE21)) (( segid " " and resid 1969 and name HG2 )) 4.600 2.700 1.400 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.34967E-03 ppm1 6.781 ppm2 2.416 CV 1 ASSI { 1798} (( segid " " and resid 1969 and name HE22)) (( segid " " and resid 1969 and name HG2 )) 4.500 2.500 1.500 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.67506E-03 ppm1 7.289 ppm2 2.417 CV 1 ASSI { 1800} (( segid " " and resid 1969 and name HE22)) (( segid " " and resid 1969 and name HB3 )) 3.900 1.900 1.900 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.17382E-03 ppm1 7.290 ppm2 2.193 CV 1 ASSI { 1802} (( segid " " and resid 1969 and name HE22)) (( segid " " and resid 1965 and name HB3 )) 3.300 3.300 2.700 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.48913E-03 ppm1 7.287 ppm2 1.431 CV 1 ASSI { 1803} (( segid " " and resid 1969 and name HE22)) ( segid " " and resid 1858 and name HG1%) 3.400 1.500 1.500 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.53360E-03 ppm1 7.288 ppm2 1.018 CV 1 ASSI { 1804} (( segid " " and resid 1969 and name HE22)) ( segid " " and resid 1965 and name HD2%) 3.700 1.700 1.700 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.55583E-03 ppm1 7.289 ppm2 0.925 CV 1 ASSI { 1806} (( segid " " and resid 1969 and name HE21)) (( segid " " and resid 1965 and name HB3 )) 4.500 2.500 1.500 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.31328E-03 ppm1 6.778 ppm2 1.433 CV 1 ASSI { 1807} (( segid " " and resid 1969 and name HE21)) ( segid " " and resid 1858 and name HG1%) 4.100 2.100 1.900 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.36382E-03 ppm1 6.782 ppm2 1.015 CV 1 ASSI { 1808} (( segid " " and resid 1969 and name HE21)) ( segid " " and resid 1965 and name HD2%) 4.200 2.200 1.800 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.44467E-03 ppm1 6.782 ppm2 0.924 CV 1 ASSI { 1810} (( segid " " and resid 1969 and name HE22)) (( segid " " and resid 1969 and name HE21)) 1.500 0.300 0.700 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.44117E-01 ppm1 7.289 ppm2 6.780 CV 1 ASSI { 1812} (( segid " " and resid 1909 and name HD22)) (( segid " " and resid 1909 and name HD21)) 1.900 0.400 0.400 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.12713E-01 ppm1 7.705 ppm2 6.962 CV 1 ASSI { 1817} (( segid " " and resid 1909 and name HD21)) (( segid " " and resid 1909 and name HB2 )) 3.200 1.300 1.300 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.10430E-02 ppm1 6.963 ppm2 2.679 CV 1 ASSI { 1819} (( segid " " and resid 1909 and name HD22)) (( segid " " and resid 1909 and name HB2 )) 3.900 1.900 1.900 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.13542E-02 ppm1 7.706 ppm2 2.678 CV 1 ASSI { 1820} (( segid " " and resid 1909 and name HD21)) (( segid " " and resid 1911 and name HB2 )) 3.600 1.600 1.600 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.41839E-03 ppm1 6.964 ppm2 1.978 CV 1 ASSI { 1822} (( segid " " and resid 1909 and name HD22)) (( segid " " and resid 1911 and name HB2 )) 4.500 2.600 1.500 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.24861E-03 ppm1 7.707 ppm2 1.974 CV 1 ASSI { 1825} (( segid " " and resid 1909 and name HD22)) (( segid " " and resid 1912 and name HG12)) 5.200 3.300 0.800 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.32542E-03 ppm1 7.707 ppm2 1.136 CV 1 ASSI { 1826} (( segid " " and resid 1909 and name HD22)) ( segid " " and resid 1912 and name HD1%) 4.200 2.300 1.800 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 7.707 ppm2 0.752 CV 1 ASSI { 1827} (( segid " " and resid 1947 and name H )) (( segid " " and resid 1947 and name HB3 )) 2.400 0.700 0.700 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.42648E-02 ppm1 7.808 ppm2 1.902 CV 1 ASSI { 1830} (( segid " " and resid 1876 and name HD21)) (( segid " " and resid 1875 and name HB3 )) 3.900 1.900 1.900 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.51339E-03 ppm1 7.470 ppm2 4.021 CV 1 ASSI { 1831} (( segid " " and resid 1876 and name HD22)) (( segid " " and resid 1875 and name HB3 )) 4.600 2.600 1.400 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.26680E-03 ppm1 6.789 ppm2 4.022 CV 1 ASSI { 1832} (( segid " " and resid 1876 and name HD21)) (( segid " " and resid 1876 and name HB2 )) 3.000 1.100 1.100 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.32036E-02 ppm1 7.471 ppm2 2.841 CV 1 ASSI { 1833} (( segid " " and resid 1876 and name HD22)) (( segid " " and resid 1876 and name HB2 )) 3.500 1.500 1.500 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.21162E-02 ppm1 6.785 ppm2 2.841 CV 1 ASSI { 1834} (( segid " " and resid 1876 and name HD21)) (( segid " " and resid 1876 and name HD22)) 1.800 0.400 0.400 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.15129E-01 ppm1 7.471 ppm2 6.783 CV 1 ASSI { 1837} (( segid " " and resid 1972 and name HD22)) (( segid " " and resid 1972 and name HD21)) 1.600 0.300 0.600 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.31308E-01 ppm1 6.858 ppm2 7.551 CV 1 ASSI { 1838} (( segid " " and resid 1972 and name HD21)) (( segid " " and resid 1972 and name HA )) 2.100 0.600 0.600 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.93458E-02 ppm1 7.552 ppm2 4.677 CV 1 ASSI { 1839} (( segid " " and resid 1972 and name HD22)) (( segid " " and resid 1972 and name HA )) 3.500 1.500 1.500 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.45012E-02 ppm1 6.858 ppm2 4.676 CV 1 ASSI { 1840} (( segid " " and resid 1972 and name HD21)) (( segid " " and resid 1972 and name HB2 )) 3.300 1.400 1.400 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.10308E-02 ppm1 7.552 ppm2 2.790 CV 1 ASSI { 1841} (( segid " " and resid 1972 and name HD21)) (( segid " " and resid 1972 and name HB3 )) 3.200 1.300 1.300 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.15684E-02 ppm1 7.552 ppm2 2.733 CV 1 ASSI { 1842} (( segid " " and resid 1887 and name HD21)) ( segid " " and resid 1827 and name HE% ) 3.600 1.600 1.600 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.53360E-03 ppm1 7.506 ppm2 2.000 CV 1 ASSI { 1843} (( segid " " and resid 1887 and name HD22)) ( segid " " and resid 1827 and name HE% ) 3.900 1.900 1.900 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.48307E-03 ppm1 6.836 ppm2 2.000 CV 1 ASSI { 1845} (( segid " " and resid 1887 and name HD21)) (( segid " " and resid 1887 and name HB3 )) 3.600 1.600 1.600 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.17645E-02 ppm1 7.506 ppm2 2.872 CV 1 ASSI { 1846} (( segid " " and resid 1887 and name HD22)) ( segid " " and resid 1824 and name HG2%) 3.700 1.700 1.700 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.25669E-03 ppm1 6.836 ppm2 0.921 CV 1 ASSI { 1847} (( segid " " and resid 1887 and name HD21)) ( segid " " and resid 1824 and name HG2%) 3.500 1.500 1.500 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.33956E-03 ppm1 7.508 ppm2 0.920 CV 1 ASSI { 1848} (( segid " " and resid 1887 and name HD21)) (( segid " " and resid 1887 and name HA )) 4.500 2.600 1.500 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.16978E-03 ppm1 7.504 ppm2 4.399 CV 1 ASSI { 1849} (( segid " " and resid 1887 and name HD22)) (( segid " " and resid 1887 and name HA )) 5.300 3.500 0.700 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.13542E-03 ppm1 6.838 ppm2 4.404 CV 1 ASSI { 1850} (( segid " " and resid 1887 and name HD21)) (( segid " " and resid 1884 and name HA )) 4.100 2.100 1.900 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.35573E-03 ppm1 7.508 ppm2 4.270 CV 1 ASSI { 1851} (( segid " " and resid 1887 and name HD21)) (( segid " " and resid 1887 and name HD22)) 1.600 0.300 0.600 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.30059E-01 ppm1 7.506 ppm2 6.834 CV 1 ASSI { 1853} (( segid " " and resid 1836 and name HD21)) (( segid " " and resid 1836 and name HD22)) 1.900 0.500 0.500 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.96206E-02 ppm1 7.467 ppm2 6.794 CV 1 ASSI { 1855} (( segid " " and resid 1940 and name H )) ( segid " " and resid 1946 and name HG2%) 4.600 2.600 1.400 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.35775E-03 ppm1 7.464 ppm2 1.148 CV 1 ASSI { 1856} (( segid " " and resid 1815 and name HD21)) (( segid " " and resid 1815 and name HD22)) 1.600 0.300 0.600 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.42021E-01 ppm1 7.553 ppm2 6.833 CV 1 ASSI { 1858} (( segid " " and resid 1815 and name HD22)) (( segid " " and resid 1815 and name HB2 )) 5.800 4.200 0.200 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.13542E-03 ppm1 6.824 ppm2 2.692 CV 1 ASSI { 1861} (( segid " " and resid 1834 and name H )) ( segid " " and resid 1835 and name HD1%) 5.000 3.200 1.000 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.29509E-03 ppm1 7.771 ppm2 0.103 CV 1 ASSI { 1862} (( segid " " and resid 1969 and name H )) (( segid " " and resid 1854 and name HG3 )) 4.500 2.500 1.500 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.59424E-03 ppm1 7.780 ppm2 1.893 CV 1 ASSI { 1863} (( segid " " and resid 1970 and name H )) ( segid " " and resid 1912 and name HD1%) 4.300 2.300 1.700 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.46083E-03 ppm1 7.641 ppm2 0.779 CV 1 ASSI { 1875} (( segid " " and resid 1956 and name H )) ( segid " " and resid 1957 and name HG1%) 5.200 3.400 0.800 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.22638E-03 ppm1 7.716 ppm2 0.790 CV 1 ASSI { 1880} (( segid " " and resid 1950 and name H )) ( segid " " and resid 1950 and name HD1%) 4.000 2.000 2.000 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.14694E-02 ppm1 8.396 ppm2 0.771 CV 1 OR { 1880} (( segid " " and resid 1950 and name H )) ( segid " " and resid 1950 and name HD2%) ASSI { 1882} (( segid " " and resid 1947 and name H )) (( segid " " and resid 1943 and name HB3 )) 4.400 2.400 1.600 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.17989E-03 ppm1 7.806 ppm2 3.020 CV 1 ASSI { 1883} (( segid " " and resid 1948 and name H )) (( segid " " and resid 1948 and name HG3 )) 3.700 1.700 1.700 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 7.800 ppm2 1.579 CV 1 OR { 1883} (( segid " " and resid 1948 and name H )) (( segid " " and resid 1948 and name HD3 )) OR { 1883} (( segid " " and resid 1948 and name H )) (( segid " " and resid 1948 and name HD2 )) ASSI { 1884} (( segid " " and resid 1947 and name H )) (( segid " " and resid 1947 and name HG2 )) 4.100 2.100 1.900 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.98433E-03 ppm1 7.809 ppm2 1.384 CV 1 OR { 1884} (( segid " " and resid 1947 and name H )) (( segid " " and resid 1947 and name HG3 )) ASSI { 1891} (( segid " " and resid 1942 and name H )) (( segid " " and resid 1941 and name HD3 )) 3.800 1.800 1.800 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 8.121 ppm2 3.606 CV 1 ASSI { 1892} (( segid " " and resid 1942 and name H )) (( segid " " and resid 1941 and name HG2 )) 2.900 1.100 1.100 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.23062E-02 ppm1 8.121 ppm2 1.967 CV 1 OR { 1892} (( segid " " and resid 1942 and name H )) (( segid " " and resid 1941 and name HB2 )) OR { 1892} (( segid " " and resid 1942 and name H )) (( segid " " and resid 1941 and name HG3 )) ASSI { 1895} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1939 and name HB3 )) 3.100 1.200 1.200 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.26720E-02 ppm1 7.451 ppm2 2.983 CV 1 OR { 1895} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1939 and name HB2 )) ASSI { 1896} (( segid " " and resid 1938 and name H )) (( segid " " and resid 1938 and name HG3 )) 3.000 1.100 1.100 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.18858E-02 ppm1 7.923 ppm2 2.504 CV 1 ASSI { 1899} (( segid " " and resid 1940 and name H )) ( segid " " and resid 1937 and name HD2%) 3.500 1.500 1.500 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.92975E-03 ppm1 7.453 ppm2 0.952 CV 1 OR { 1899} (( segid " " and resid 1940 and name H )) ( segid " " and resid 1937 and name HD1%) ASSI { 1903} (( segid " " and resid 1936 and name H )) (( segid " " and resid 1933 and name HD2 )) 4.600 2.700 1.400 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.34563E-03 ppm1 7.656 ppm2 1.646 CV 1 OR { 1903} (( segid " " and resid 1936 and name H )) (( segid " " and resid 1933 and name HG2 )) ASSI { 1911} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1933 and name HB3 )) 3.000 1.100 1.100 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.12511E-02 ppm1 8.772 ppm2 1.689 CV 1 OR { 1911} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1933 and name HG2 )) ASSI { 1918} (( segid " " and resid 1931 and name H )) ( segid " " and resid 1931 and name HG2%) 2.300 0.700 0.700 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.60252E-02 ppm1 8.580 ppm2 0.971 CV 1 OR { 1918} (( segid " " and resid 1931 and name H )) ( segid " " and resid 1931 and name HG1%) ASSI { 1919} (( segid " " and resid 1928 and name H )) (( segid " " and resid 1923 and name HB2 )) 3.200 3.200 2.800 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.56594E-03 ppm1 8.481 ppm2 2.371 CV 1 ASSI { 1922} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1923 and name HB2 )) 3.200 1.200 1.200 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.34664E-02 ppm1 8.701 ppm2 2.373 CV 1 ASSI { 1925} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1921 and name HE21)) 3.700 1.700 1.700 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.10288E-02 ppm1 7.856 ppm2 7.248 CV 1 ASSI { 1929} (( segid " " and resid 1922 and name H )) (( segid " " and resid 1922 and name HG3 )) 3.400 1.400 1.400 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.28964E-02 ppm1 8.440 ppm2 2.252 CV 1 OR { 1929} (( segid " " and resid 1922 and name H )) (( segid " " and resid 1922 and name HB3 )) ASSI { 1931} (( segid " " and resid 1922 and name H )) (( segid " " and resid 1921 and name HB3 )) 3.400 1.500 1.500 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.20637E-02 ppm1 8.441 ppm2 2.116 CV 1 OR { 1931} (( segid " " and resid 1922 and name H )) (( segid " " and resid 1921 and name HG3 )) ASSI { 1933} (( segid " " and resid 1921 and name H )) (( segid " " and resid 1919 and name H )) 4.100 2.200 1.900 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.30722E-03 ppm1 9.016 ppm2 8.636 CV 1 ASSI { 1935} (( segid " " and resid 1920 and name H )) (( segid " " and resid 1919 and name HG3 )) 5.000 3.100 1.000 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.34967E-03 ppm1 8.525 ppm2 1.452 CV 1 ASSI { 1936} (( segid " " and resid 1918 and name H )) (( segid " " and resid 1918 and name HD2 )) 4.400 2.400 1.600 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.29105E-03 ppm1 8.674 ppm2 7.064 CV 1 ASSI { 1938} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1919 and name HD2 )) 4.300 2.300 1.700 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.65691E-03 ppm1 8.621 ppm2 3.035 CV 1 OR { 1938} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1919 and name HD3 )) ASSI { 1939} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1919 and name HG2 )) 2.500 0.800 0.800 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.30055E-02 ppm1 8.620 ppm2 1.987 CV 1 OR { 1939} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1919 and name HB3 )) ASSI { 1942} (( segid " " and resid 1914 and name H )) (( segid " " and resid 1915 and name HB3 )) 5.600 3.900 0.400 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.22436E-03 ppm1 8.215 ppm2 3.265 CV 1 ASSI { 1944} (( segid " " and resid 1823 and name H )) (( segid " " and resid 1822 and name HA3 )) 3.000 1.100 1.100 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.27286E-02 ppm1 7.932 ppm2 3.910 CV 1 OR { 1944} (( segid " " and resid 1823 and name H )) (( segid " " and resid 1822 and name HA2 )) ASSI { 1946} (( segid " " and resid 1912 and name H )) (( segid " " and resid 1912 and name HB )) 2.500 0.800 0.800 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.56290E-02 ppm1 7.949 ppm2 1.637 CV 1 OR { 1946} (( segid " " and resid 1912 and name H )) (( segid " " and resid 1912 and name HG13)) ASSI { 1948} (( segid " " and resid 1911 and name H )) (( segid " " and resid 1912 and name HB )) 4.200 2.200 1.800 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.93580E-03 ppm1 8.239 ppm2 1.638 CV 1 OR { 1948} (( segid " " and resid 1911 and name H )) (( segid " " and resid 1912 and name HG13)) ASSI { 1949} (( segid " " and resid 1911 and name H )) ( segid " " and resid 1912 and name HG2%) 5.500 3.800 0.500 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.23648E-03 ppm1 8.237 ppm2 0.835 CV 1 ASSI { 1953} (( segid " " and resid 1905 and name H )) (( segid " " and resid 1905 and name HB )) 2.500 0.800 0.800 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.40707E-02 ppm1 7.091 ppm2 2.065 CV 1 ASSI { 1954} (( segid " " and resid 1905 and name H )) ( segid " " and resid 1905 and name HG1%) 2.800 1.000 1.000 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.55644E-02 ppm1 7.092 ppm2 1.019 CV 1 ASSI { 1959} (( segid " " and resid 1900 and name H )) (( segid " " and resid 1899 and name HG3 )) 4.400 2.400 1.600 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.63264E-03 ppm1 7.835 ppm2 2.440 CV 1 OR { 1959} (( segid " " and resid 1900 and name H )) (( segid " " and resid 1899 and name HG2 )) ASSI { 1963} (( segid " " and resid 1898 and name H )) (( segid " " and resid 1899 and name HG3 )) 4.600 2.700 1.400 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.43658E-03 ppm1 7.847 ppm2 2.441 CV 1 OR { 1963} (( segid " " and resid 1898 and name H )) (( segid " " and resid 1899 and name HG2 )) ASSI { 1968} (( segid " " and resid 1895 and name H )) (( segid " " and resid 1895 and name HB2 )) 2.500 0.800 0.800 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.29833E-02 ppm1 7.702 ppm2 1.856 CV 1 ASSI { 1970} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1892 and name HB2 )) 3.000 1.200 1.200 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.10733E-02 ppm1 9.129 ppm2 2.334 CV 1 ASSI { 1975} (( segid " " and resid 1892 and name H )) (( segid " " and resid 1892 and name HB3 )) 3.300 1.300 1.300 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.35088E-02 ppm1 8.752 ppm2 2.752 CV 1 ASSI { 1977} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1891 and name H )) 2.900 1.000 1.000 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.18858E-02 ppm1 8.036 ppm2 8.109 CV 1 ASSI { 1978} (( segid " " and resid 1889 and name H )) (( segid " " and resid 1891 and name H )) 4.500 2.500 1.500 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.29509E-03 ppm1 8.603 ppm2 8.113 CV 1 ASSI { 1979} (( segid " " and resid 1889 and name H )) (( segid " " and resid 1885 and name HA )) 3.700 1.700 1.700 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.70943E-03 ppm1 8.603 ppm2 4.105 CV 1 ASSI { 1981} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1889 and name HB2 )) 3.700 1.700 1.700 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.11339E-02 ppm1 8.036 ppm2 1.571 CV 1 OR { 1981} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1889 and name HG )) ASSI { 1985} (( segid " " and resid 1886 and name H )) (( segid " " and resid 1885 and name HA )) 3.300 1.300 1.300 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.12814E-02 ppm1 8.456 ppm2 4.106 CV 1 ASSI { 1986} (( segid " " and resid 1886 and name H )) (( segid " " and resid 1884 and name HD2 )) 3.600 1.600 1.600 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.77412E-03 ppm1 8.457 ppm2 3.696 CV 1 ASSI { 1991} (( segid " " and resid 1883 and name H )) (( segid " " and resid 1884 and name HD2 )) 2.200 0.600 0.600 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.55219E-02 ppm1 7.795 ppm2 3.687 CV 1 ASSI { 1993} (( segid " " and resid 1882 and name H )) ( segid " " and resid 1882 and name HD1%) 3.500 1.500 1.500 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.22496E-02 ppm1 7.831 ppm2 0.923 CV 1 OR { 1993} (( segid " " and resid 1882 and name H )) ( segid " " and resid 1882 and name HD2%) ASSI { 1995} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1880 and name HG2 )) 2.600 0.800 0.800 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.23305E-02 ppm1 9.462 ppm2 2.329 CV 1 ASSI { 1997} (( segid " " and resid 1876 and name H )) (( segid " " and resid 1875 and name HB2 )) 4.000 2.000 2.000 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.38403E-03 ppm1 7.093 ppm2 4.008 CV 1 OR { 1997} (( segid " " and resid 1876 and name H )) (( segid " " and resid 1875 and name HB3 )) ASSI { 1998} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1879 and name HG3 )) 4.300 2.400 1.700 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.70139E-03 ppm1 8.694 ppm2 2.061 CV 1 OR { 1998} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1879 and name HG2 )) ASSI { 1999} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1874 and name HG2 )) 4.100 2.100 1.900 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.86101E-03 ppm1 8.695 ppm2 1.433 CV 1 OR { 1999} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1874 and name HD2 )) OR { 1999} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1874 and name HG3 )) ASSI { 2002} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1875 and name HB3 )) 2.800 1.000 1.000 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.27589E-02 ppm1 8.121 ppm2 4.005 CV 1 OR { 2002} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1875 and name HB2 )) ASSI { 2004} (( segid " " and resid 1875 and name H )) ( segid " " and resid 1882 and name HD2%) 2.900 1.100 1.100 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.23426E-02 ppm1 8.122 ppm2 0.910 CV 1 OR { 2004} (( segid " " and resid 1875 and name H )) ( segid " " and resid 1882 and name HD1%) ASSI { 2012} (( segid " " and resid 1869 and name H )) ( segid " " and resid 1889 and name HD1%) 4.100 2.100 1.900 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.46690E-03 ppm1 7.534 ppm2 1.034 CV 1 ASSI { 2025} (( segid " " and resid 1844 and name H )) (( segid " " and resid 1844 and name HA3 )) 2.700 0.900 0.900 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.37635E-02 ppm1 8.051 ppm2 3.888 CV 1 OR { 2025} (( segid " " and resid 1844 and name H )) (( segid " " and resid 1844 and name HA2 )) ASSI { 2026} (( segid " " and resid 1844 and name H )) (( segid " " and resid 1843 and name HG2 )) 4.800 2.800 1.200 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.21222E-03 ppm1 8.056 ppm2 2.539 CV 1 OR { 2026} (( segid " " and resid 1844 and name H )) (( segid " " and resid 1843 and name HG3 )) ASSI { 2027} (( segid " " and resid 1844 and name H )) ( segid " " and resid 1905 and name HG1%) 4.500 2.500 1.500 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.26882E-03 ppm1 8.048 ppm2 1.015 CV 1 ASSI { 2028} (( segid " " and resid 1840 and name H )) (( segid " " and resid 1841 and name H )) 3.400 1.500 1.500 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.73975E-03 ppm1 7.301 ppm2 8.333 CV 1 ASSI { 2029} (( segid " " and resid 1841 and name H )) (( segid " " and resid 1840 and name HG2 )) 4.300 2.300 1.700 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.47902E-03 ppm1 8.358 ppm2 2.240 CV 1 OR { 2029} (( segid " " and resid 1841 and name H )) (( segid " " and resid 1840 and name HG3 )) ASSI { 2030} (( segid " " and resid 1840 and name H )) (( segid " " and resid 1840 and name HG2 )) 3.200 1.300 1.300 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.22658E-02 ppm1 7.334 ppm2 2.256 CV 1 OR { 2030} (( segid " " and resid 1840 and name H )) (( segid " " and resid 1840 and name HG3 )) ASSI { 2035} (( segid " " and resid 1810 and name H )) ( segid " " and resid 1810 and name HG2%) 3.400 3.400 2.600 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.16311E-02 ppm1 8.305 ppm2 0.822 CV 1 OR { 2035} (( segid " " and resid 1810 and name H )) ( segid " " and resid 1810 and name HD1%) ASSI { 2036} (( segid " " and resid 1831 and name H )) ( segid " " and resid 1831 and name HD1%) 3.600 1.600 1.600 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.23284E-02 ppm1 8.306 ppm2 0.618 CV 1 OR { 2036} (( segid " " and resid 1831 and name H )) ( segid " " and resid 1831 and name HG2%) ASSI { 2038} (( segid " " and resid 1829 and name H )) ( segid " " and resid 1831 and name HD1%) 5.200 3.400 0.800 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.18191E-03 ppm1 8.376 ppm2 0.614 CV 1 OR { 2038} (( segid " " and resid 1829 and name H )) ( segid " " and resid 1831 and name HG2%) ASSI { 2039} (( segid " " and resid 1830 and name H )) ( segid " " and resid 1831 and name HD1%) 5.000 3.100 1.000 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.34765E-03 ppm1 7.844 ppm2 0.628 CV 1 OR { 2039} (( segid " " and resid 1830 and name H )) ( segid " " and resid 1831 and name HG2%) ASSI { 2040} (( segid " " and resid 1822 and name H )) (( segid " " and resid 1822 and name HA3 )) 2.700 0.900 0.900 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.39191E-02 ppm1 8.122 ppm2 3.909 CV 1 OR { 2040} (( segid " " and resid 1822 and name H )) (( segid " " and resid 1822 and name HA2 )) ASSI { 2041} (( segid " " and resid 1813 and name H )) ( segid " " and resid 1813 and name HD% ) 4.600 2.600 1.400 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.19808E-03 ppm1 8.202 ppm2 7.244 CV 1 ASSI { 2042} (( segid " " and resid 1814 and name H )) (( segid " " and resid 1814 and name HA )) 3.100 1.200 1.200 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.18393E-02 ppm1 7.759 ppm2 4.249 CV 1 ASSI { 2044} (( segid " " and resid 1811 and name H )) (( segid " " and resid 1811 and name HB2 )) 3.300 1.400 1.400 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.13704E-02 ppm1 8.363 ppm2 2.702 CV 1 ASSI { 2047} (( segid " " and resid 1869 and name HE22)) ( segid " " and resid 1872 and name HG2%) 4.200 2.200 1.800 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.65485E-03 ppm1 6.789 ppm2 0.839 CV 1 ASSI { 2054} (( segid " " and resid 1938 and name HE22)) (( segid " " and resid 1938 and name HG2 )) 3.500 1.500 1.500 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.19201E-02 ppm1 7.065 ppm2 2.324 CV 1 ASSI { 2055} (( segid " " and resid 1938 and name HE22)) ( segid " " and resid 1934 and name HB% ) 3.700 1.700 1.700 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.26882E-03 ppm1 7.069 ppm2 1.329 CV 1 ASSI { 2056} (( segid " " and resid 1969 and name HE22)) (( segid " " and resid 1968 and name HG )) 4.400 2.400 1.600 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.39615E-03 ppm1 7.289 ppm2 0.760 CV 1 ASSI { 2057} (( segid " " and resid 1969 and name HE21)) (( segid " " and resid 1968 and name HG )) 4.700 2.800 1.300 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.28297E-03 ppm1 6.782 ppm2 0.760 CV 1 ASSI { 2058} (( segid " " and resid 1909 and name HD22)) (( segid " " and resid 1912 and name HG13)) 5.300 3.500 0.700 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.44669E-03 ppm1 7.705 ppm2 1.627 CV 1 OR { 2058} (( segid " " and resid 1909 and name HD22)) (( segid " " and resid 1912 and name HB )) ASSI { 2061} (( segid " " and resid 1876 and name HD22)) (( segid " " and resid 1951 and name HG12)) 2.800 1.000 1.000 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.16716E-02 ppm1 6.785 ppm2 1.176 CV 1 ASSI { 2062} (( segid " " and resid 1887 and name HD22)) (( segid " " and resid 1887 and name HB2 )) 4.600 2.600 1.400 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.51945E-03 ppm1 6.836 ppm2 2.750 CV 1 ASSI { 2063} (( segid " " and resid 1887 and name HD21)) (( segid " " and resid 1887 and name HB2 )) 2.900 1.000 1.000 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.10773E-02 ppm1 7.507 ppm2 2.749 CV 1 ASSI { 2066} (( segid " " and resid 1836 and name HD22)) (( segid " " and resid 1836 and name HB2 )) 4.000 2.000 2.000 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 6.795 ppm2 2.867 CV 1 OR { 2066} (( segid " " and resid 1836 and name HD22)) (( segid " " and resid 1836 and name HB3 )) ASSI { 2068} (( segid " " and resid 1836 and name HD21)) ( segid " " and resid 1835 and name HG2%) 3.900 1.900 1.900 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.66701E-03 ppm1 7.468 ppm2 0.825 CV 1 ASSI { 2069} (( segid " " and resid 1836 and name HD22)) ( segid " " and resid 1835 and name HG2%) 3.100 1.200 1.200 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.71149E-03 ppm1 6.794 ppm2 0.822 CV 1 ASSI { 2} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1838 and name HB2 )) 2.500 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.53101E-02 ppm1 0.982 ppm2 1.986 CV 1 OR { 2} ( segid " " and resid 1923 and name HD2%) (( segid " " and resid 1960 and name HB3 )) ASSI { 5} (( segid " " and resid 1899 and name HA )) (( segid " " and resid 1899 and name H )) 2.700 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.27825E-02 ppm1 4.116 ppm2 7.635 CV 1 OR { 5} (( segid " " and resid 1933 and name HA )) (( segid " " and resid 1936 and name H )) ASSI { 7} (( segid " " and resid 1968 and name HA )) (( segid " " and resid 1850 and name HZ )) 3.000 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.14542E-02 ppm1 4.177 ppm2 7.189 CV 1 OR { 7} (( segid " " and resid 1969 and name HA )) (( segid " " and resid 1854 and name HE22)) OR { 7} (( segid " " and resid 1968 and name HA )) ( segid " " and resid 1850 and name HE% ) ASSI { 9} (( segid " " and resid 1968 and name HG )) (( segid " " and resid 1969 and name H )) 4.000 2.000 2.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 0.790 ppm2 7.812 CV 1 OR { 9} (( segid " " and resid 1968 and name HG )) (( segid " " and resid 1967 and name H )) ASSI { 10} ( segid " " and resid 1872 and name HG1%) (( segid " " and resid 1955 and name H )) 3.100 1.200 1.200 peak 10 spectrum 1 weight 0.10000E+01 volume 0.18890E-02 ppm1 0.924 ppm2 8.088 CV 1 OR { 10} ( segid " " and resid 1968 and name HD1%) (( segid " " and resid 1855 and name H )) OR { 10} ( segid " " and resid 1872 and name HG1%) (( segid " " and resid 1875 and name H )) OR { 10} ( segid " " and resid 1872 and name HG1%) (( segid " " and resid 1951 and name H )) ASSI { 11} (( segid " " and resid 1968 and name HG )) (( segid " " and resid 1858 and name HA )) 3.200 1.300 1.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.17510E-02 ppm1 0.787 ppm2 3.391 CV 1 OR { 11} (( segid " " and resid 1968 and name HG )) (( segid " " and resid 1916 and name HA )) ASSI { 14} (( segid " " and resid 1968 and name HA )) (( segid " " and resid 1854 and name HG3 )) 3.600 1.600 1.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.22458E-02 ppm1 4.171 ppm2 1.901 CV 1 OR { 14} (( segid " " and resid 1969 and name HA )) (( segid " " and resid 1854 and name HG3 )) ASSI { 15} ( segid " " and resid 1968 and name HD1%) (( segid " " and resid 1854 and name HG3 )) 2.200 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.11532E-01 ppm1 0.924 ppm2 1.900 CV 1 OR { 15} ( segid " " and resid 1930 and name HD2%) (( segid " " and resid 1930 and name HB2 )) OR { 15} ( segid " " and resid 1968 and name HD2%) (( segid " " and resid 1857 and name HB3 )) OR { 15} ( segid " " and resid 1968 and name HD2%) (( segid " " and resid 1857 and name HB2 )) OR { 15} ( segid " " and resid 1968 and name HD1%) (( segid " " and resid 1857 and name HB2 )) ASSI { 16} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1937 and name HB3 )) 2.500 0.800 0.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.64764E-02 ppm1 0.793 ppm2 1.791 CV 1 OR { 16} ( segid " " and resid 1950 and name HD1%) ( segid " " and resid 1871 and name HE% ) OR { 16} (( segid " " and resid 1968 and name HG )) ( segid " " and resid 1857 and name HE% ) ASSI { 17} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1871 and name HB2 )) 3.700 1.700 1.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.11484E-02 ppm1 0.852 ppm2 2.372 CV 1 OR { 17} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1892 and name HB2 )) OR { 17} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1888 and name HG2 )) ASSI { 18} ( segid " " and resid 1950 and name HD1%) (( segid " " and resid 1937 and name HB2 )) 3.000 1.100 1.100 peak 18 spectrum 1 weight 0.10000E+01 volume 0.27795E-02 ppm1 0.793 ppm2 1.268 CV 1 OR { 18} (( segid " " and resid 1968 and name HG )) (( segid " " and resid 1854 and name HB2 )) ASSI { 22} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1922 and name HG3 )) 2.900 1.100 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.27705E-02 ppm1 1.005 ppm2 2.221 CV 1 OR { 22} ( segid " " and resid 1937 and name HD2%) (( segid " " and resid 1949 and name HB2 )) OR { 22} ( segid " " and resid 1937 and name HD2%) (( segid " " and resid 1938 and name HB2 )) ASSI { 23} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1919 and name HA )) 3.300 1.400 1.400 peak 23 spectrum 1 weight 0.10000E+01 volume 0.20569E-02 ppm1 1.010 ppm2 4.104 CV 1 OR { 23} ( segid " " and resid 1961 and name HG2%) (( segid " " and resid 1962 and name HA )) ASSI { 25} (( segid " " and resid 1963 and name HB3 )) (( segid " " and resid 1960 and name HD3 )) 4.000 2.000 2.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.86655E-03 ppm1 3.036 ppm2 1.916 CV 1 OR { 25} (( segid " " and resid 1963 and name HB3 )) (( segid " " and resid 1922 and name HB2 )) ASSI { 26} (( segid " " and resid 1961 and name HB )) ( segid " " and resid 1965 and name HD1%) 3.900 1.900 1.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.81853E-03 ppm1 2.349 ppm2 0.824 CV 1 OR { 26} (( segid " " and resid 1961 and name HB )) ( segid " " and resid 1957 and name HG1%) ASSI { 28} (( segid " " and resid 1943 and name HB3 )) (( segid " " and resid 1946 and name HB )) 2.800 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.23867E-02 ppm1 3.031 ppm2 4.041 CV 1 OR { 28} (( segid " " and resid 1943 and name HB3 )) (( segid " " and resid 1940 and name HB3 )) ASSI { 35} (( segid " " and resid 1922 and name HB2 )) (( segid " " and resid 1922 and name HG3 )) 2.400 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.46415E-02 ppm1 1.902 ppm2 2.202 CV 1 OR { 35} (( segid " " and resid 1816 and name HB3 )) (( segid " " and resid 1816 and name HG3 )) OR { 35} (( segid " " and resid 1816 and name HB3 )) (( segid " " and resid 1816 and name HG2 )) ASSI { 36} (( segid " " and resid 1831 and name HG13)) ( segid " " and resid 1828 and name HG2%) 3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.35141E-02 ppm1 2.063 ppm2 0.826 CV 1 OR { 36} (( segid " " and resid 1831 and name HG12)) ( segid " " and resid 1828 and name HG2%) OR { 36} (( segid " " and resid 1956 and name HB2 )) ( segid " " and resid 1957 and name HG1%) OR { 36} (( segid " " and resid 1831 and name HG12)) ( segid " " and resid 1889 and name HD2%) OR { 36} (( segid " " and resid 1831 and name HG12)) ( segid " " and resid 1920 and name HG1%) ASSI { 39} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1930 and name H )) 4.000 2.000 2.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.71059E-03 ppm1 2.745 ppm2 7.961 CV 1 OR { 39} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1952 and name H )) ASSI { 40} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1933 and name HB2 )) 3.300 1.400 1.400 peak 40 spectrum 1 weight 0.10000E+01 volume 0.10224E-02 ppm1 2.741 ppm2 1.968 CV 1 OR { 40} (( segid " " and resid 1953 and name HB3 )) (( segid " " and resid 1930 and name HB2 )) ASSI { 41} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1933 and name HB2 )) 3.300 1.400 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.10674E-02 ppm1 3.091 ppm2 1.998 CV 1 OR { 41} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1955 and name HB3 )) OR { 41} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1955 and name HB2 )) ASSI { 44} (( segid " " and resid 1953 and name HB3 )) ( segid " " and resid 1950 and name HD2%) 4.300 2.400 1.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.42577E-03 ppm1 2.747 ppm2 0.795 CV 1 OR { 44} (( segid " " and resid 1953 and name HB3 )) ( segid " " and resid 1957 and name HG1%) OR { 44} (( segid " " and resid 1953 and name HB3 )) ( segid " " and resid 1872 and name HG2%) ASSI { 48} (( segid " " and resid 1857 and name HA )) (( segid " " and resid 1899 and name HB2 )) 4.000 2.000 2.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.77058E-03 ppm1 3.905 ppm2 2.214 CV 1 OR { 48} (( segid " " and resid 1948 and name HA )) (( segid " " and resid 1949 and name HB2 )) OR { 48} (( segid " " and resid 1862 and name HA )) (( segid " " and resid 1866 and name HB )) ASSI { 49} (( segid " " and resid 1857 and name HA )) (( segid " " and resid 1899 and name HB3 )) 3.600 1.600 1.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.22848E-02 ppm1 3.910 ppm2 2.055 CV 1 OR { 49} (( segid " " and resid 1857 and name HA )) (( segid " " and resid 1858 and name HB )) OR { 49} (( segid " " and resid 1862 and name HA )) (( segid " " and resid 1858 and name HB )) OR { 49} (( segid " " and resid 1857 and name HA )) (( segid " " and resid 1968 and name HB2 )) ASSI { 50} (( segid " " and resid 1862 and name HA )) ( segid " " and resid 1961 and name HG2%) 3.800 1.800 1.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 3.903 ppm2 1.031 CV 1 OR { 50} (( segid " " and resid 1857 and name HA )) ( segid " " and resid 1858 and name HG1%) OR { 50} (( segid " " and resid 1862 and name HA )) ( segid " " and resid 1866 and name HG1%) OR { 50} (( segid " " and resid 1859 and name HA )) ( segid " " and resid 1858 and name HG1%) ASSI { 51} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1953 and name HB2 )) 2.800 1.000 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.22038E-02 ppm1 3.684 ppm2 3.065 CV 1 OR { 51} (( segid " " and resid 1871 and name HA )) (( segid " " and resid 1871 and name HG3 )) ASSI { 52} (( segid " " and resid 1950 and name HB2 )) ( segid " " and resid 1930 and name HD2%) 3.800 1.800 1.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.12354E-02 ppm1 1.564 ppm2 0.931 CV 1 OR { 52} (( segid " " and resid 1950 and name HB2 )) ( segid " " and resid 1882 and name HD1%) OR { 52} (( segid " " and resid 1950 and name HB2 )) ( segid " " and resid 1882 and name HD2%) ASSI { 53} (( segid " " and resid 1937 and name HB2 )) (( segid " " and resid 1950 and name HB2 )) 3.900 1.900 1.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.43477E-03 ppm1 1.262 ppm2 1.527 CV 1 OR { 53} (( segid " " and resid 1937 and name HB2 )) ( segid " " and resid 1936 and name HB% ) ASSI { 54} (( segid " " and resid 1950 and name HB3 )) (( segid " " and resid 1951 and name HG13)) 3.800 1.800 1.800 peak 54 spectrum 1 weight 0.10000E+01 volume 0.54871E-03 ppm1 2.125 ppm2 1.736 CV 1 OR { 54} (( segid " " and resid 1950 and name HB3 )) (( segid " " and resid 1933 and name HB3 )) ASSI { 57} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1951 and name HB )) 3.500 1.500 1.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.18500E-02 ppm1 0.749 ppm2 1.983 CV 1 OR { 57} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1930 and name HB2 )) OR { 57} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1933 and name HB2 )) ASSI { 59} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1885 and name HA )) 4.100 2.100 1.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.48274E-03 ppm1 0.855 ppm2 4.104 CV 1 OR { 59} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1923 and name HA )) OR { 59} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1929 and name HA )) OR { 59} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1956 and name HA )) ASSI { 60} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1927 and name HA )) 2.700 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.29264E-02 ppm1 0.856 ppm2 3.902 CV 1 OR { 60} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1886 and name HA )) ASSI { 61} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1931 and name HA )) 3.900 1.900 1.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.80353E-03 ppm1 0.857 ppm2 3.528 CV 1 OR { 61} ( segid " " and resid 1889 and name HD2%) (( segid " " and resid 1890 and name HA )) ASSI { 62} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1934 and name H )) 3.100 3.100 2.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.74058E-03 ppm1 0.747 ppm2 8.797 CV 1 OR { 62} ( segid " " and resid 1950 and name HD2%) (( segid " " and resid 1874 and name H )) ASSI { 64} (( segid " " and resid 1947 and name HG3 )) (( segid " " and resid 1947 and name HD2 )) 2.500 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.42577E-02 ppm1 1.378 ppm2 1.712 CV 1 OR { 64} (( segid " " and resid 1901 and name HG3 )) (( segid " " and resid 1901 and name HD2 )) OR { 64} (( segid " " and resid 1947 and name HG2 )) (( segid " " and resid 1947 and name HD2 )) OR { 64} (( segid " " and resid 1901 and name HG3 )) (( segid " " and resid 1901 and name HD3 )) ASSI { 65} (( segid " " and resid 1901 and name HG2 )) ( segid " " and resid 1916 and name HG2%) 4.200 2.200 1.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.60867E-03 ppm1 1.566 ppm2 0.748 CV 1 OR { 65} (( segid " " and resid 1948 and name HG3 )) ( segid " " and resid 1950 and name HD2%) OR { 65} (( segid " " and resid 1901 and name HG2 )) ( segid " " and resid 1835 and name HG2%) ASSI { 66} (( segid " " and resid 1948 and name HG2 )) (( segid " " and resid 1952 and name HG2 )) 3.500 1.500 1.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.70164E-03 ppm1 1.353 ppm2 2.323 CV 1 OR { 66} (( segid " " and resid 1948 and name HG2 )) (( segid " " and resid 1952 and name HG3 )) OR { 66} (( segid " " and resid 1948 and name HG2 )) (( segid " " and resid 1949 and name HG3 )) ASSI { 67} (( segid " " and resid 1884 and name HB2 )) (( segid " " and resid 1885 and name H )) 3.100 1.200 1.200 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12623E-02 ppm1 1.903 ppm2 7.213 CV 1 OR { 67} (( segid " " and resid 1948 and name HB3 )) ( segid " " and resid 1945 and name HD% ) ASSI { 68} (( segid " " and resid 1948 and name HA )) (( segid " " and resid 1951 and name H )) 2.900 1.000 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.22578E-02 ppm1 3.903 ppm2 8.072 CV 1 OR { 68} (( segid " " and resid 1948 and name HA )) (( segid " " and resid 1949 and name H )) ASSI { 69} (( segid " " and resid 1947 and name HE2 )) (( segid " " and resid 1947 and name H )) 3.800 1.800 1.800 peak 69 spectrum 1 weight 0.10000E+01 volume 0.86951E-03 ppm1 2.933 ppm2 7.810 CV 1 OR { 69} (( segid " " and resid 1947 and name HE2 )) (( segid " " and resid 1948 and name H )) OR { 69} (( segid " " and resid 1947 and name HE3 )) (( segid " " and resid 1948 and name H )) OR { 69} (( segid " " and resid 1947 and name HE3 )) (( segid " " and resid 1947 and name H )) ASSI { 70} (( segid " " and resid 1901 and name HE2 )) ( segid " " and resid 1838 and name HD2%) 2.600 2.600 3.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.31213E-02 ppm1 2.928 ppm2 0.943 CV 1 OR { 70} (( segid " " and resid 1901 and name HE3 )) ( segid " " and resid 1838 and name HD2%) OR { 70} (( segid " " and resid 1947 and name HE2 )) ( segid " " and resid 1937 and name HD2%) OR { 70} (( segid " " and resid 1947 and name HE2 )) ( segid " " and resid 1937 and name HD1%) OR { 70} (( segid " " and resid 1947 and name HE3 )) ( segid " " and resid 1937 and name HD2%) OR { 70} (( segid " " and resid 1947 and name HE3 )) ( segid " " and resid 1937 and name HD1%) OR { 70} (( segid " " and resid 1933 and name HE2 )) ( segid " " and resid 1937 and name HD2%) OR { 70} (( segid " " and resid 1933 and name HE2 )) ( segid " " and resid 1930 and name HD2%) OR { 70} (( segid " " and resid 1933 and name HE2 )) ( segid " " and resid 1937 and name HD1%) ASSI { 73} (( segid " " and resid 1873 and name HA )) ( segid " " and resid 1872 and name HG1%) 3.800 1.800 1.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.83958E-03 ppm1 3.917 ppm2 0.914 CV 1 OR { 73} (( segid " " and resid 1860 and name HA )) ( segid " " and resid 1896 and name HD2%) ASSI { 74} (( segid " " and resid 1945 and name HA )) ( segid " " and resid 1944 and name HG1%) 3.300 1.400 1.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.16701E-02 ppm1 4.151 ppm2 0.875 CV 1 OR { 74} (( segid " " and resid 1945 and name HA )) ( segid " " and resid 1944 and name HG2%) OR { 74} (( segid " " and resid 1853 and name HA )) ( segid " " and resid 1968 and name HD1%) ASSI { 75} (( segid " " and resid 1901 and name HA )) (( segid " " and resid 1917 and name HB3 )) 3.500 1.600 1.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 4.058 ppm2 1.712 CV 1 OR { 75} (( segid " " and resid 1901 and name HA )) (( segid " " and resid 1901 and name HD3 )) OR { 75} (( segid " " and resid 1901 and name HA )) (( segid " " and resid 1901 and name HD2 )) ASSI { 77} (( segid " " and resid 1943 and name HA )) (( segid " " and resid 1940 and name HB3 )) 4.100 2.100 1.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.78557E-03 ppm1 4.596 ppm2 4.043 CV 1 OR { 77} (( segid " " and resid 1943 and name HA )) (( segid " " and resid 1946 and name HB )) ASSI { 93} (( segid " " and resid 1933 and name HA )) (( segid " " and resid 1933 and name HE3 )) 4.000 2.000 2.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.10944E-02 ppm1 4.112 ppm2 2.867 CV 1 OR { 93} (( segid " " and resid 1933 and name HA )) (( segid " " and resid 1933 and name HE2 )) OR { 93} (( segid " " and resid 1923 and name HA )) (( segid " " and resid 1927 and name HB2 )) ASSI { 105} (( segid " " and resid 1924 and name HA2 )) (( segid " " and resid 1929 and name H )) 3.800 1.800 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.49773E-03 ppm1 2.229 ppm2 7.254 CV 1 OR { 105} (( segid " " and resid 1924 and name HA2 )) (( segid " " and resid 1921 and name HE21)) ASSI { 106} (( segid " " and resid 1924 and name HA3 )) (( segid " " and resid 1921 and name HE21)) 4.000 2.000 2.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.45875E-03 ppm1 3.360 ppm2 7.256 CV 1 OR { 106} (( segid " " and resid 1924 and name HA3 )) (( segid " " and resid 1929 and name H )) ASSI { 109} (( segid " " and resid 1917 and name HG2 )) ( segid " " and resid 1914 and name HB% ) 4.000 2.000 2.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.10045E-02 ppm1 1.132 ppm2 1.389 CV 1 OR { 109} (( segid " " and resid 1917 and name HG2 )) ( segid " " and resid 1900 and name HB% ) ASSI { 111} (( segid " " and resid 1917 and name HG2 )) ( segid " " and resid 1838 and name HD2%) 3.600 1.600 1.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.14182E-02 ppm1 1.138 ppm2 0.957 CV 1 OR { 111} (( segid " " and resid 1917 and name HG2 )) ( segid " " and resid 1838 and name HD1%) OR { 111} (( segid " " and resid 1917 and name HG2 )) ( segid " " and resid 1920 and name HG2%) ASSI { 116} (( segid " " and resid 1948 and name HB3 )) (( segid " " and resid 1948 and name HG3 )) 2.300 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.83443E-02 ppm1 1.903 ppm2 1.592 CV 1 OR { 116} (( segid " " and resid 1917 and name HB2 )) (( segid " " and resid 1917 and name HG3 )) OR { 116} (( segid " " and resid 1948 and name HB2 )) (( segid " " and resid 1948 and name HD3 )) OR { 116} (( segid " " and resid 1948 and name HB2 )) (( segid " " and resid 1948 and name HG3 )) OR { 116} (( segid " " and resid 1948 and name HB3 )) (( segid " " and resid 1948 and name HD3 )) OR { 116} (( segid " " and resid 1948 and name HB2 )) (( segid " " and resid 1948 and name HD2 )) ASSI { 118} (( segid " " and resid 1916 and name HG12)) (( segid " " and resid 1968 and name HA )) 4.000 2.000 2.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.35981E-03 ppm1 0.698 ppm2 4.179 CV 1 OR { 118} (( segid " " and resid 1916 and name HG13)) (( segid " " and resid 1968 and name HA )) OR { 118} (( segid " " and resid 1916 and name HG12)) (( segid " " and resid 1967 and name HA )) ASSI { 119} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1901 and name HA )) 4.100 2.100 1.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.75262E-03 ppm1 0.768 ppm2 4.095 CV 1 OR { 119} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1913 and name HA3 )) ASSI { 120} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1857 and name HB2 )) 3.800 1.800 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.11214E-02 ppm1 0.990 ppm2 1.890 CV 1 OR { 120} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1854 and name HG3 )) OR { 120} ( segid " " and resid 1916 and name HD1%) (( segid " " and resid 1857 and name HB3 )) ASSI { 121} (( segid " " and resid 1914 and name HA )) (( segid " " and resid 1917 and name HB2 )) 3.600 1.600 1.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.20449E-02 ppm1 3.968 ppm2 1.857 CV 1 OR { 121} (( segid " " and resid 1934 and name HA )) (( segid " " and resid 1871 and name HB3 )) ASSI { 123} ( segid " " and resid 1904 and name HB% ) (( segid " " and resid 1916 and name HB )) 3.400 1.500 1.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 1.409 ppm2 2.075 CV 1 OR { 123} ( segid " " and resid 1904 and name HB% ) (( segid " " and resid 1905 and name HB )) OR { 123} ( segid " " and resid 1914 and name HB% ) (( segid " " and resid 1911 and name HB3 )) ASSI { 124} (( segid " " and resid 1914 and name HA )) (( segid " " and resid 1913 and name HA2 )) 4.100 2.100 1.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.61767E-03 ppm1 3.966 ppm2 3.602 CV 1 OR { 124} (( segid " " and resid 1914 and name HA )) (( segid " " and resid 1917 and name HA )) ASSI { 126} (( segid " " and resid 1912 and name HA )) (( segid " " and resid 1911 and name HB3 )) 4.100 2.100 1.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.67763E-03 ppm1 3.805 ppm2 2.056 CV 1 OR { 126} (( segid " " and resid 1893 and name HA )) (( segid " " and resid 1831 and name HG12)) OR { 126} (( segid " " and resid 1893 and name HA )) (( segid " " and resid 1831 and name HG13)) ASSI { 127} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1916 and name HB )) 3.300 1.400 1.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.25037E-02 ppm1 0.840 ppm2 2.047 CV 1 OR { 127} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1911 and name HB3 )) OR { 127} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1968 and name HB2 )) ASSI { 128} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1971 and name H )) 3.800 1.800 1.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.71361E-03 ppm1 0.839 ppm2 8.232 CV 1 OR { 128} ( segid " " and resid 1912 and name HG2%) (( segid " " and resid 1914 and name H )) ASSI { 133} ( segid " " and resid 1906 and name HB% ) (( segid " " and resid 1853 and name H )) 3.300 1.400 1.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.17181E-02 ppm1 1.573 ppm2 7.159 CV 1 OR { 133} ( segid " " and resid 1906 and name HB% ) ( segid " " and resid 1850 and name HE% ) ASSI { 139} ( segid " " and resid 1970 and name HB% ) ( segid " " and resid 1912 and name HD1%) 2.400 0.700 0.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.83327E-02 ppm1 1.391 ppm2 0.793 CV 1 OR { 139} ( segid " " and resid 1900 and name HB% ) ( segid " " and resid 1920 and name HG1%) OR { 139} ( segid " " and resid 1900 and name HB% ) ( segid " " and resid 1916 and name HG2%) ASSI { 140} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1899 and name HB3 )) 3.900 1.900 1.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10314E-02 ppm1 0.848 ppm2 2.042 CV 1 OR { 140} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1960 and name HB2 )) OR { 140} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1960 and name HB3 )) OR { 140} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1968 and name HB2 )) OR { 140} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1831 and name HG12)) OR { 140} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1916 and name HB )) ASSI { 141} (( segid " " and resid 1896 and name HA )) (( segid " " and resid 1896 and name HB3 )) 2.500 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.37959E-02 ppm1 3.963 ppm2 1.841 CV 1 OR { 141} (( segid " " and resid 1882 and name HA )) (( segid " " and resid 1885 and name HB2 )) OR { 141} (( segid " " and resid 1882 and name HA )) (( segid " " and resid 1885 and name HG )) ASSI { 142} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1864 and name HB )) 3.400 1.500 1.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.10584E-02 ppm1 0.854 ppm2 2.247 CV 1 OR { 142} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1920 and name HB )) OR { 142} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1927 and name HB3 )) ASSI { 143} ( segid " " and resid 1896 and name HD2%) (( segid " " and resid 1857 and name HG2 )) 2.800 1.000 1.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.27645E-02 ppm1 0.891 ppm2 2.352 CV 1 OR { 143} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1938 and name HG2 )) ASSI { 144} (( segid " " and resid 1947 and name HG2 )) (( segid " " and resid 1947 and name HE3 )) 3.400 1.400 1.400 peak 144 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 1.370 ppm2 2.958 CV 1 OR { 144} (( segid " " and resid 1947 and name HG2 )) (( segid " " and resid 1947 and name HE2 )) OR { 144} (( segid " " and resid 1901 and name HG3 )) (( segid " " and resid 1901 and name HE2 )) OR { 144} (( segid " " and resid 1901 and name HG3 )) (( segid " " and resid 1901 and name HE3 )) OR { 144} (( segid " " and resid 1947 and name HG3 )) (( segid " " and resid 1947 and name HE3 )) ASSI { 145} (( segid " " and resid 1901 and name HE3 )) (( segid " " and resid 1838 and name HA )) 2.900 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.35231E-02 ppm1 2.979 ppm2 4.102 CV 1 OR { 145} (( segid " " and resid 1901 and name HE2 )) (( segid " " and resid 1838 and name HA )) OR { 145} (( segid " " and resid 1901 and name HE2 )) (( segid " " and resid 1901 and name HA )) OR { 145} (( segid " " and resid 1901 and name HE3 )) (( segid " " and resid 1901 and name HA )) OR { 145} (( segid " " and resid 1960 and name HE2 )) (( segid " " and resid 1956 and name HA )) OR { 145} (( segid " " and resid 1960 and name HE3 )) (( segid " " and resid 1922 and name HA )) OR { 145} (( segid " " and resid 1960 and name HE2 )) (( segid " " and resid 1922 and name HA )) ASSI { 146} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1834 and name HA )) 3.300 1.400 1.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.21168E-02 ppm1 0.992 ppm2 4.123 CV 1 OR { 146} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1898 and name HA )) ASSI { 147} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1894 and name HA3 )) 3.100 1.200 1.200 peak 147 spectrum 1 weight 0.10000E+01 volume 0.16371E-02 ppm1 0.991 ppm2 3.904 CV 1 OR { 147} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1921 and name HA )) OR { 147} ( segid " " and resid 1897 and name HB% ) (( segid " " and resid 1900 and name HA )) ASSI { 148} (( segid " " and resid 1893 and name HB3 )) (( segid " " and resid 1831 and name HG12)) 3.400 1.400 1.400 peak 148 spectrum 1 weight 0.10000E+01 volume 0.85753E-03 ppm1 2.848 ppm2 2.097 CV 1 OR { 148} (( segid " " and resid 1836 and name HB2 )) (( segid " " and resid 1837 and name HB2 )) OR { 148} (( segid " " and resid 1893 and name HB3 )) (( segid " " and resid 1831 and name HG13)) OR { 148} (( segid " " and resid 1836 and name HB2 )) (( segid " " and resid 1833 and name HB2 )) OR { 148} (( segid " " and resid 1836 and name HB3 )) (( segid " " and resid 1837 and name HB2 )) ASSI { 158} (( segid " " and resid 1871 and name HB2 )) ( segid " " and resid 1930 and name HD1%) 3.100 1.200 1.200 peak 158 spectrum 1 weight 0.10000E+01 volume 0.21378E-02 ppm1 2.376 ppm2 0.934 CV 1 OR { 158} (( segid " " and resid 1871 and name HB2 )) ( segid " " and resid 1868 and name HG2%) OR { 158} (( segid " " and resid 1871 and name HB2 )) ( segid " " and resid 1930 and name HD2%) OR { 158} (( segid " " and resid 1871 and name HB2 )) ( segid " " and resid 1882 and name HD2%) OR { 158} (( segid " " and resid 1871 and name HB2 )) ( segid " " and resid 1872 and name HG1%) ASSI { 159} (( segid " " and resid 1888 and name HG2 )) (( segid " " and resid 1885 and name HA )) 3.600 1.600 1.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.22218E-02 ppm1 2.375 ppm2 4.113 CV 1 OR { 159} (( segid " " and resid 1888 and name HG3 )) (( segid " " and resid 1885 and name HA )) OR { 159} (( segid " " and resid 1871 and name HB2 )) (( segid " " and resid 1870 and name HA )) OR { 159} (( segid " " and resid 1871 and name HB2 )) (( segid " " and resid 1885 and name HA )) ASSI { 162} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1888 and name H )) 3.100 1.200 1.200 peak 162 spectrum 1 weight 0.10000E+01 volume 0.20179E-02 ppm1 4.413 ppm2 8.019 CV 1 OR { 162} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1890 and name H )) ASSI { 165} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1827 and name HB3 )) 4.000 2.000 2.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.50973E-03 ppm1 4.419 ppm2 2.216 CV 1 OR { 165} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1827 and name HB2 )) OR { 165} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1888 and name HB2 )) OR { 165} (( segid " " and resid 1887 and name HA )) (( segid " " and resid 1888 and name HB3 )) ASSI { 169} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1888 and name H )) 4.200 2.200 1.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.58169E-03 ppm1 1.471 ppm2 8.009 CV 1 OR { 169} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1890 and name H )) OR { 169} ( segid " " and resid 1886 and name HB% ) (( segid " " and resid 1933 and name H )) ASSI { 171} ( segid " " and resid 1931 and name HG2%) (( segid " " and resid 1932 and name H )) 2.900 1.100 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.19700E-02 ppm1 0.938 ppm2 7.701 CV 1 OR { 171} ( segid " " and resid 1828 and name HG1%) (( segid " " and resid 1827 and name H )) ASSI { 172} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1869 and name HA )) 3.000 1.200 1.200 peak 172 spectrum 1 weight 0.10000E+01 volume 0.27375E-02 ppm1 0.940 ppm2 4.020 CV 1 OR { 172} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1958 and name HB3 )) OR { 172} ( segid " " and resid 1931 and name HG2%) (( segid " " and resid 1930 and name HA )) OR { 172} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1930 and name HA )) ASSI { 173} ( segid " " and resid 1828 and name HG1%) (( segid " " and resid 1826 and name HA2 )) 3.100 1.200 1.200 peak 173 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 0.943 ppm2 3.964 CV 1 OR { 173} ( segid " " and resid 1885 and name HD2%) (( segid " " and resid 1882 and name HA )) OR { 173} ( segid " " and resid 1885 and name HD2%) (( segid " " and resid 1888 and name HA )) ASSI { 174} ( segid " " and resid 1828 and name HG1%) (( segid " " and resid 1828 and name HB )) 2.100 0.600 0.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.14617E-01 ppm1 0.936 ppm2 2.054 CV 1 OR { 174} ( segid " " and resid 1885 and name HD2%) (( segid " " and resid 1870 and name HB2 )) ASSI { 175} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1871 and name HG2 )) 2.400 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.39339E-02 ppm1 0.757 ppm2 2.071 CV 1 OR { 175} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1870 and name HB2 )) ASSI { 179} (( segid " " and resid 1882 and name HG )) (( segid " " and resid 1881 and name H )) 3.900 1.900 1.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.55770E-03 ppm1 1.709 ppm2 8.087 CV 1 OR { 179} (( segid " " and resid 1882 and name HG )) (( segid " " and resid 1875 and name H )) ASSI { 190} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1880 and name HB3 )) 4.800 2.900 1.200 peak 190 spectrum 1 weight 0.10000E+01 volume 0.37780E-03 ppm1 3.670 ppm2 2.066 CV 1 OR { 190} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1879 and name HG2 )) OR { 190} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1880 and name HB2 )) OR { 190} (( segid " " and resid 1878 and name HB3 )) (( segid " " and resid 1879 and name HG3 )) ASSI { 191} (( segid " " and resid 1958 and name HA )) (( segid " " and resid 1957 and name HB )) 4.100 2.100 1.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.58469E-03 ppm1 3.908 ppm2 2.098 CV 1 OR { 191} (( segid " " and resid 1958 and name HA )) (( segid " " and resid 1868 and name HB )) OR { 191} (( segid " " and resid 1958 and name HA )) (( segid " " and resid 1960 and name HB2 )) OR { 191} (( segid " " and resid 1958 and name HA )) (( segid " " and resid 1959 and name HB2 )) OR { 191} (( segid " " and resid 1878 and name HB2 )) (( segid " " and resid 1879 and name HG2 )) ASSI { 192} (( segid " " and resid 1958 and name HA )) (( segid " " and resid 1961 and name HB )) 2.800 1.000 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.39639E-02 ppm1 3.905 ppm2 2.338 CV 1 OR { 192} (( segid " " and resid 1878 and name HB2 )) (( segid " " and resid 1881 and name HB2 )) ASSI { 199} ( segid " " and resid 1944 and name HG1%) (( segid " " and resid 1948 and name HB2 )) 3.000 1.100 1.100 peak 199 spectrum 1 weight 0.10000E+01 volume 0.37659E-02 ppm1 0.860 ppm2 1.904 CV 1 OR { 199} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1859 and name HB2 )) OR { 199} ( segid " " and resid 1944 and name HG1%) (( segid " " and resid 1947 and name HB3 )) OR { 199} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1859 and name HB3 )) OR { 199} ( segid " " and resid 1944 and name HG1%) (( segid " " and resid 1948 and name HB3 )) OR { 199} ( segid " " and resid 1944 and name HG2%) (( segid " " and resid 1947 and name HB3 )) ASSI { 200} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1871 and name HA )) 3.600 1.600 1.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.94449E-03 ppm1 3.235 ppm2 3.717 CV 1 OR { 200} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1875 and name HA )) ASSI { 201} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1875 and name HB3 )) 3.400 1.500 1.500 peak 201 spectrum 1 weight 0.10000E+01 volume 0.10704E-02 ppm1 3.236 ppm2 4.005 CV 1 OR { 201} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1875 and name HB2 )) OR { 201} (( segid " " and resid 1872 and name HA )) (( segid " " and resid 1869 and name HA )) ASSI { 202} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1869 and name HA )) 3.200 1.300 1.300 peak 202 spectrum 1 weight 0.10000E+01 volume 0.23387E-02 ppm1 0.847 ppm2 4.002 CV 1 OR { 202} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1955 and name HA )) OR { 202} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1875 and name HB2 )) OR { 202} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1875 and name HB3 )) OR { 202} ( segid " " and resid 1828 and name HG2%) (( segid " " and resid 1830 and name HB3 )) OR { 202} ( segid " " and resid 1828 and name HG2%) (( segid " " and resid 1830 and name HB2 )) OR { 202} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1953 and name HA )) OR { 202} ( segid " " and resid 1828 and name HG2%) (( segid " " and resid 1930 and name HA )) OR { 202} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1949 and name HA )) ASSI { 203} (( segid " " and resid 1869 and name HG2 )) ( segid " " and resid 1866 and name HG1%) 3.100 1.200 1.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.10434E-02 ppm1 2.431 ppm2 1.059 CV 1 OR { 203} (( segid " " and resid 1869 and name HG3 )) ( segid " " and resid 1866 and name HG1%) OR { 203} (( segid " " and resid 1869 and name HG3 )) ( segid " " and resid 1889 and name HD1%) ASSI { 205} (( segid " " and resid 1869 and name HG2 )) (( segid " " and resid 1866 and name H )) 3.300 1.400 1.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.11364E-02 ppm1 2.428 ppm2 7.838 CV 1 OR { 205} (( segid " " and resid 1869 and name HG3 )) (( segid " " and resid 1872 and name H )) OR { 205} (( segid " " and resid 1869 and name HG2 )) (( segid " " and resid 1872 and name H )) ASSI { 208} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1871 and name HG2 )) 3.200 1.300 1.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.17901E-02 ppm1 1.184 ppm2 2.082 CV 1 OR { 208} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1868 and name HB )) ASSI { 209} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1888 and name H )) 4.100 2.100 1.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.11124E-02 ppm1 1.184 ppm2 8.009 CV 1 OR { 209} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1890 and name H )) ASSI { 210} (( segid " " and resid 1866 and name HB )) ( segid " " and resid 1865 and name HB% ) 3.600 1.600 1.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.11484E-02 ppm1 2.191 ppm2 1.531 CV 1 OR { 210} (( segid " " and resid 1866 and name HB )) ( segid " " and resid 1863 and name HB% ) ASSI { 212} (( segid " " and resid 1865 and name HA )) (( segid " " and resid 1869 and name HB3 )) 3.200 1.300 1.300 peak 212 spectrum 1 weight 0.10000E+01 volume 0.32322E-02 ppm1 3.910 ppm2 2.222 CV 1 OR { 212} (( segid " " and resid 1861 and name HA )) (( segid " " and resid 1864 and name HB )) OR { 212} (( segid " " and resid 1865 and name HA )) (( segid " " and resid 1864 and name HB )) OR { 212} (( segid " " and resid 1865 and name HA )) (( segid " " and resid 1869 and name HB2 )) ASSI { 213} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1896 and name HB3 )) 4.100 2.100 1.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.66264E-03 ppm1 0.718 ppm2 1.799 CV 1 OR { 213} ( segid " " and resid 1864 and name HD1%) ( segid " " and resid 1871 and name HE% ) OR { 213} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1862 and name HB3 )) OR { 213} ( segid " " and resid 1864 and name HD1%) ( segid " " and resid 1857 and name HE% ) OR { 213} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1871 and name HB3 )) OR { 213} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1919 and name HB2 )) ASSI { 214} (( segid " " and resid 1864 and name HB )) ( segid " " and resid 1861 and name HB% ) 4.400 2.400 1.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.52772E-03 ppm1 2.214 ppm2 1.376 CV 1 OR { 214} (( segid " " and resid 1864 and name HB )) (( segid " " and resid 1896 and name HG )) OR { 214} (( segid " " and resid 1864 and name HB )) (( segid " " and resid 1896 and name HB2 )) ASSI { 215} (( segid " " and resid 1929 and name HA )) ( segid " " and resid 1931 and name HG2%) 3.300 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.29204E-02 ppm1 4.119 ppm2 0.928 CV 1 OR { 215} (( segid " " and resid 1863 and name HA )) ( segid " " and resid 1866 and name HG2%) OR { 215} (( segid " " and resid 1834 and name HA )) ( segid " " and resid 1838 and name HD1%) OR { 215} (( segid " " and resid 1834 and name HA )) ( segid " " and resid 1838 and name HD2%) OR { 215} (( segid " " and resid 1966 and name HA )) ( segid " " and resid 1968 and name HD2%) OR { 215} (( segid " " and resid 1834 and name HA )) (( segid " " and resid 1835 and name HG12)) OR { 215} (( segid " " and resid 1929 and name HA )) ( segid " " and resid 1930 and name HD2%) OR { 215} (( segid " " and resid 1863 and name HA )) ( segid " " and resid 1961 and name HG1%) ASSI { 216} ( segid " " and resid 1863 and name HB% ) (( segid " " and resid 1864 and name HB )) 3.500 1.500 1.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.23777E-02 ppm1 1.522 ppm2 2.201 CV 1 OR { 216} ( segid " " and resid 1863 and name HB% ) (( segid " " and resid 1866 and name HB )) ASSI { 217} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1864 and name HB )) 3.900 1.900 1.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.11364E-02 ppm1 1.380 ppm2 2.219 CV 1 OR { 217} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1920 and name HB )) OR { 217} ( segid " " and resid 1861 and name HB% ) (( segid " " and resid 1899 and name HB2 )) ASSI { 224} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1860 and name HA )) 2.300 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.96335E-02 ppm1 1.158 ppm2 3.892 CV 1 OR { 224} ( segid " " and resid 1860 and name HG2%) (( segid " " and resid 1857 and name HA )) ASSI { 225} ( segid " " and resid 1858 and name HG1%) (( segid " " and resid 1859 and name HG3 )) 4.100 2.100 1.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.10074E-02 ppm1 1.019 ppm2 1.721 CV 1 OR { 225} ( segid " " and resid 1858 and name HG1%) (( segid " " and resid 1965 and name HG )) ASSI { 226} (( segid " " and resid 1856 and name HB )) (( segid " " and resid 1899 and name HB3 )) 4.100 2.100 1.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.41678E-03 ppm1 4.168 ppm2 2.057 CV 1 OR { 226} (( segid " " and resid 1856 and name HB )) (( segid " " and resid 1854 and name HB3 )) ASSI { 227} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1855 and name HB )) 4.400 2.400 1.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.76459E-03 ppm1 2.063 ppm2 4.177 CV 1 OR { 227} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1969 and name HA )) OR { 227} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1968 and name HA )) ASSI { 229} (( segid " " and resid 1898 and name HA )) (( segid " " and resid 1897 and name HA )) 3.800 1.800 1.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.69862E-03 ppm1 4.104 ppm2 3.721 CV 1 OR { 229} (( segid " " and resid 1853 and name HA )) (( segid " " and resid 1851 and name HA )) OR { 229} (( segid " " and resid 1853 and name HA )) (( segid " " and resid 1855 and name HA )) ASSI { 234} (( segid " " and resid 1850 and name HA )) (( segid " " and resid 1903 and name HA )) 4.100 2.100 1.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.50973E-03 ppm1 4.164 ppm2 3.436 CV 1 OR { 234} (( segid " " and resid 1850 and name HA )) (( segid " " and resid 1907 and name HA )) ASSI { 236} (( segid " " and resid 1850 and name HA )) ( segid " " and resid 1968 and name HD1%) 3.200 3.200 2.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.21708E-02 ppm1 4.153 ppm2 0.916 CV 1 OR { 236} (( segid " " and resid 1850 and name HA )) ( segid " " and resid 1851 and name HG2%) ASSI { 242} (( segid " " and resid 1823 and name HB )) (( segid " " and resid 1823 and name HA )) 2.800 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.30253E-02 ppm1 2.130 ppm2 4.011 CV 1 OR { 242} (( segid " " and resid 1824 and name HB )) (( segid " " and resid 1824 and name HA )) ASSI { 249} (( segid " " and resid 1880 and name HG3 )) (( segid " " and resid 1880 and name HB3 )) 2.300 0.700 0.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.10929E-01 ppm1 2.221 ppm2 2.014 CV 1 OR { 249} (( segid " " and resid 1840 and name HG2 )) (( segid " " and resid 1840 and name HB2 )) OR { 249} (( segid " " and resid 1840 and name HG3 )) (( segid " " and resid 1840 and name HB2 )) ASSI { 250} (( segid " " and resid 1838 and name HB2 )) ( segid " " and resid 1838 and name HD1%) 2.600 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.42577E-02 ppm1 2.001 ppm2 0.955 CV 1 OR { 250} (( segid " " and resid 1882 and name HB3 )) ( segid " " and resid 1882 and name HD2%) OR { 250} (( segid " " and resid 1882 and name HB3 )) ( segid " " and resid 1882 and name HD1%) OR { 250} (( segid " " and resid 1838 and name HB2 )) ( segid " " and resid 1838 and name HD2%) ASSI { 263} (( segid " " and resid 1831 and name HA )) ( segid " " and resid 1828 and name HG2%) 3.900 1.900 1.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.20059E-02 ppm1 3.805 ppm2 0.829 CV 1 OR { 263} (( segid " " and resid 1831 and name HA )) ( segid " " and resid 1920 and name HG1%) OR { 263} (( segid " " and resid 1831 and name HA )) ( segid " " and resid 1835 and name HG2%) ASSI { 264} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1835 and name HG12)) 3.500 1.500 1.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.22368E-02 ppm1 0.602 ppm2 0.991 CV 1 OR { 264} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1931 and name HG2%) OR { 264} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1897 and name HB% ) OR { 264} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1931 and name HG1%) ASSI { 265} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1828 and name HG2%) 3.000 1.200 1.200 peak 265 spectrum 1 weight 0.10000E+01 volume 0.50553E-02 ppm1 0.600 ppm2 0.834 CV 1 OR { 265} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1835 and name HG2%) OR { 265} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1920 and name HG1%) ASSI { 268} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1923 and name HB2 )) 4.000 2.000 2.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 0.642 ppm2 2.368 CV 1 OR { 268} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1892 and name HB2 )) OR { 268} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1888 and name HG2 )) ASSI { 270} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1831 and name HA )) 2.300 0.700 0.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.76459E-02 ppm1 0.601 ppm2 3.828 CV 1 OR { 270} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1928 and name HA )) OR { 270} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1928 and name HB2 )) ASSI { 271} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1929 and name HA )) 3.900 1.900 1.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.86655E-03 ppm1 0.642 ppm2 4.101 CV 1 OR { 271} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1923 and name HA )) OR { 271} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1834 and name HA )) ASSI { 274} (( segid " " and resid 1962 and name HB3 )) (( segid " " and resid 1963 and name H )) 2.800 1.000 1.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.24287E-02 ppm1 3.988 ppm2 7.882 CV 1 OR { 274} (( segid " " and resid 1958 and name HB3 )) (( segid " " and resid 1959 and name H )) ASSI { 276} (( segid " " and resid 1829 and name HA )) (( segid " " and resid 1833 and name H )) 3.800 1.800 1.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.86056E-03 ppm1 4.373 ppm2 8.186 CV 1 OR { 276} (( segid " " and resid 1829 and name HA )) (( segid " " and resid 1828 and name H )) ASSI { 281} (( segid " " and resid 1826 and name HA3 )) ( segid " " and resid 1827 and name HE% ) 4.900 3.000 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.28485E-03 ppm1 3.889 ppm2 2.035 CV 1 OR { 281} (( segid " " and resid 1826 and name HA3 )) (( segid " " and resid 1828 and name HB )) ASSI { 287} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1859 and name HB2 )) 3.100 1.200 1.200 peak 287 spectrum 1 weight 0.10000E+01 volume 0.43806E-02 ppm1 0.838 ppm2 1.893 CV 1 OR { 287} ( segid " " and resid 1964 and name HG1%) (( segid " " and resid 1857 and name HB3 )) OR { 287} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1859 and name HB3 )) OR { 287} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1854 and name HG3 )) OR { 287} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1857 and name HB2 )) ASSI { 290} (( segid " " and resid 1922 and name HB2 )) ( segid " " and resid 1964 and name HG2%) 4.000 2.000 2.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.48874E-03 ppm1 1.903 ppm2 0.988 CV 1 OR { 290} (( segid " " and resid 1922 and name HB2 )) ( segid " " and resid 1923 and name HD2%) OR { 290} (( segid " " and resid 1922 and name HB2 )) ( segid " " and resid 1923 and name HD1%) OR { 290} (( segid " " and resid 1922 and name HB2 )) ( segid " " and resid 1920 and name HG2%) OR { 290} (( segid " " and resid 1895 and name HB2 )) ( segid " " and resid 1897 and name HB% ) ASSI { 291} (( segid " " and resid 1956 and name HB3 )) ( segid " " and resid 1957 and name HG2%) 4.200 2.300 1.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.54571E-03 ppm1 1.901 ppm2 0.944 CV 1 OR { 291} (( segid " " and resid 1922 and name HB2 )) ( segid " " and resid 1923 and name HD2%) OR { 291} (( segid " " and resid 1922 and name HB2 )) ( segid " " and resid 1920 and name HG2%) OR { 291} (( segid " " and resid 1895 and name HB2 )) ( segid " " and resid 1897 and name HB% ) ASSI { 293} (( segid " " and resid 1933 and name HA )) ( segid " " and resid 1936 and name HB% ) 2.500 0.800 0.800 peak 293 spectrum 1 weight 0.10000E+01 volume 0.60087E-02 ppm1 4.103 ppm2 1.506 CV 1 OR { 293} (( segid " " and resid 1973 and name HA )) (( segid " " and resid 1973 and name HG2 )) OR { 293} (( segid " " and resid 1973 and name HA )) (( segid " " and resid 1973 and name HG3 )) ASSI { 301} (( segid " " and resid 1890 and name HA )) ( segid " " and resid 1889 and name HD2%) 4.300 2.300 1.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.73762E-03 ppm1 3.542 ppm2 0.839 CV 1 OR { 301} (( segid " " and resid 1890 and name HA )) ( segid " " and resid 1828 and name HG2%) ASSI { 302} ( segid " " and resid 1890 and name HG2%) ( segid " " and resid 1931 and name HG2%) 2.700 0.900 0.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.17211E-02 ppm1 1.266 ppm2 0.940 CV 1 OR { 302} ( segid " " and resid 1890 and name HG2%) ( segid " " and resid 1828 and name HG1%) OR { 302} ( segid " " and resid 1890 and name HG2%) ( segid " " and resid 1824 and name HG1%) OR { 302} ( segid " " and resid 1890 and name HG2%) ( segid " " and resid 1897 and name HB% ) ASSI { 303} ( segid " " and resid 1890 and name HG2%) ( segid " " and resid 1828 and name HG2%) 2.600 2.600 3.400 peak 303 spectrum 1 weight 0.10000E+01 volume 0.26775E-02 ppm1 1.266 ppm2 0.834 CV 1 OR { 303} ( segid " " and resid 1890 and name HG2%) ( segid " " and resid 1864 and name HG2%) OR { 303} ( segid " " and resid 1890 and name HG2%) ( segid " " and resid 1920 and name HG1%) ASSI { 306} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1830 and name HA )) 2.300 2.300 3.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.44856E-02 ppm1 1.266 ppm2 4.110 CV 1 OR { 306} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1898 and name HA )) ASSI { 310} (( segid " " and resid 1890 and name HA )) (( segid " " and resid 1891 and name H )) 3.600 1.600 1.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.73460E-03 ppm1 3.544 ppm2 8.107 CV 1 OR { 310} (( segid " " and resid 1890 and name HA )) (( segid " " and resid 1894 and name H )) ASSI { 314} (( segid " " and resid 1879 and name HA )) (( segid " " and resid 1881 and name H )) 3.700 1.700 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.86352E-03 ppm1 3.925 ppm2 8.088 CV 1 OR { 314} (( segid " " and resid 1879 and name HA )) (( segid " " and resid 1875 and name H )) ASSI { 315} (( segid " " and resid 1895 and name HG3 )) (( segid " " and resid 1899 and name HG3 )) 4.600 2.600 1.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.37780E-03 ppm1 1.546 ppm2 2.437 CV 1 OR { 315} (( segid " " and resid 1895 and name HG3 )) (( segid " " and resid 1899 and name HG2 )) OR { 315} (( segid " " and resid 1874 and name HD3 )) (( segid " " and resid 1871 and name HB2 )) ASSI { 318} (( segid " " and resid 1875 and name HA )) (( segid " " and resid 1947 and name HG3 )) 4.000 2.000 2.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.63866E-03 ppm1 3.727 ppm2 1.403 CV 1 OR { 318} (( segid " " and resid 1875 and name HA )) (( segid " " and resid 1947 and name HG2 )) OR { 318} (( segid " " and resid 1875 and name HA )) (( segid " " and resid 1874 and name HG3 )) ASSI { 319} (( segid " " and resid 1933 and name HB3 )) (( segid " " and resid 1933 and name H )) 3.200 1.300 1.300 peak 319 spectrum 1 weight 0.10000E+01 volume 0.12413E-02 ppm1 1.709 ppm2 8.050 CV 1 OR { 319} (( segid " " and resid 1874 and name HB3 )) (( segid " " and resid 1881 and name H )) ASSI { 321} (( segid " " and resid 1917 and name HG3 )) ( segid " " and resid 1838 and name HD2%) 3.800 1.800 1.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.98948E-03 ppm1 1.595 ppm2 0.958 CV 1 OR { 321} (( segid " " and resid 1917 and name HG3 )) ( segid " " and resid 1838 and name HD1%) OR { 321} (( segid " " and resid 1917 and name HG3 )) ( segid " " and resid 1920 and name HG2%) ASSI { 325} ( segid " " and resid 1871 and name HE% ) (( segid " " and resid 1931 and name H )) 3.300 1.300 1.300 peak 325 spectrum 1 weight 0.10000E+01 volume 0.21499E-02 ppm1 1.807 ppm2 8.598 CV 1 OR { 325} ( segid " " and resid 1871 and name HE% ) (( segid " " and resid 1889 and name H )) ASSI { 327} ( segid " " and resid 1871 and name HE% ) (( segid " " and resid 1872 and name H )) 3.900 2.000 2.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 1.805 ppm2 7.831 CV 1 OR { 327} ( segid " " and resid 1871 and name HE% ) (( segid " " and resid 1883 and name H )) OR { 327} ( segid " " and resid 1871 and name HE% ) (( segid " " and resid 1882 and name H )) ASSI { 330} (( segid " " and resid 1871 and name HG2 )) (( segid " " and resid 1870 and name HG2 )) 3.000 3.000 3.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.59008E-02 ppm1 2.097 ppm2 2.336 CV 1 OR { 330} (( segid " " and resid 1871 and name HG2 )) (( segid " " and resid 1881 and name HB2 )) ASSI { 331} (( segid " " and resid 1871 and name HG3 )) ( segid " " and resid 1930 and name HD1%) 3.300 1.400 1.400 peak 331 spectrum 1 weight 0.10000E+01 volume 0.19340E-02 ppm1 3.034 ppm2 0.905 CV 1 OR { 331} (( segid " " and resid 1871 and name HG3 )) ( segid " " and resid 1930 and name HD2%) OR { 331} (( segid " " and resid 1871 and name HG3 )) ( segid " " and resid 1868 and name HG2%) OR { 331} (( segid " " and resid 1871 and name HG3 )) ( segid " " and resid 1882 and name HD2%) OR { 331} (( segid " " and resid 1871 and name HG3 )) ( segid " " and resid 1885 and name HD2%) ASSI { 332} ( segid " " and resid 1871 and name HE% ) ( segid " " and resid 1950 and name HD1%) 2.600 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.65395E-02 ppm1 1.806 ppm2 0.774 CV 1 OR { 332} ( segid " " and resid 1871 and name HE% ) ( segid " " and resid 1950 and name HD2%) OR { 332} ( segid " " and resid 1871 and name HE% ) ( segid " " and resid 1885 and name HD1%) ASSI { 334} ( segid " " and resid 1857 and name HE% ) ( segid " " and resid 1860 and name HG2%) 4.100 2.100 1.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.10224E-02 ppm1 1.784 ppm2 1.151 CV 1 OR { 334} ( segid " " and resid 1857 and name HE% ) ( segid " " and resid 1856 and name HG2%) ASSI { 335} (( segid " " and resid 1899 and name HG3 )) (( segid " " and resid 1900 and name H )) 3.800 1.800 1.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 2.426 ppm2 7.844 CV 1 OR { 335} (( segid " " and resid 1899 and name HG3 )) (( segid " " and resid 1898 and name H )) OR { 335} (( segid " " and resid 1899 and name HG2 )) (( segid " " and resid 1900 and name H )) ASSI { 339} (( segid " " and resid 1962 and name HB2 )) (( segid " " and resid 1965 and name HB2 )) 3.900 1.900 1.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.68362E-03 ppm1 4.050 ppm2 1.985 CV 1 OR { 339} (( segid " " and resid 1962 and name HB3 )) (( segid " " and resid 1959 and name HB3 )) OR { 339} (( segid " " and resid 1962 and name HB3 )) (( segid " " and resid 1965 and name HB2 )) OR { 339} (( segid " " and resid 1962 and name HB2 )) (( segid " " and resid 1959 and name HB3 )) ASSI { 341} (( segid " " and resid 1958 and name HB2 )) ( segid " " and resid 1961 and name HG2%) 3.900 1.900 1.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.10255E-02 ppm1 3.898 ppm2 0.987 CV 1 OR { 341} (( segid " " and resid 1928 and name HB3 )) ( segid " " and resid 1931 and name HG2%) ASSI { 351} (( segid " " and resid 1949 and name HA )) (( segid " " and resid 1949 and name HB3 )) 2.600 0.800 0.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.34841E-02 ppm1 4.014 ppm2 1.786 CV 1 OR { 351} (( segid " " and resid 1895 and name HA )) (( segid " " and resid 1895 and name HG2 )) ASSI { 354} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1858 and name HB )) 2.000 0.500 0.500 peak 354 spectrum 1 weight 0.10000E+01 volume 0.15460E-01 ppm1 0.848 ppm2 2.085 CV 1 OR { 354} ( segid " " and resid 1828 and name HG2%) (( segid " " and resid 1828 and name HB )) ASSI { 356} (( segid " " and resid 1960 and name HA )) ( segid " " and resid 1964 and name HG2%) 3.500 1.500 1.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.16521E-02 ppm1 4.037 ppm2 0.999 CV 1 OR { 356} (( segid " " and resid 1960 and name HA )) ( segid " " and resid 1961 and name HG2%) OR { 356} (( segid " " and resid 1960 and name HA )) ( segid " " and resid 1923 and name HD2%) ASSI { 357} ( segid " " and resid 1868 and name HG1%) ( segid " " and resid 1867 and name HG2%) 3.500 1.600 1.600 peak 357 spectrum 1 weight 0.10000E+01 volume 0.24317E-02 ppm1 0.928 ppm2 1.172 CV 1 OR { 357} ( segid " " and resid 1872 and name HG1%) (( segid " " and resid 1951 and name HG12)) ASSI { 359} ( segid " " and resid 1968 and name HD1%) (( segid " " and resid 1854 and name HB2 )) 1.900 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.18533E-01 ppm1 0.926 ppm2 1.314 CV 1 OR { 359} ( segid " " and resid 1930 and name HD2%) ( segid " " and resid 1954 and name HB% ) OR { 359} ( segid " " and resid 1872 and name HG1%) ( segid " " and resid 1954 and name HB% ) ASSI { 360} ( segid " " and resid 1965 and name HD1%) ( segid " " and resid 1965 and name HD2%) 1.900 0.500 0.500 peak 360 spectrum 1 weight 0.10000E+01 volume 0.21453E-01 ppm1 0.840 ppm2 0.927 CV 1 OR { 360} ( segid " " and resid 1965 and name HD1%) ( segid " " and resid 1961 and name HG1%) ASSI { 362} ( segid " " and resid 1858 and name HG2%) ( segid " " and resid 1858 and name HG1%) 1.900 0.500 0.500 peak 362 spectrum 1 weight 0.10000E+01 volume 0.24539E-01 ppm1 0.836 ppm2 1.014 CV 1 OR { 362} ( segid " " and resid 1964 and name HG1%) ( segid " " and resid 1964 and name HG2%) ASSI { 378} (( segid " " and resid 1835 and name HG12)) ( segid " " and resid 1835 and name HG2%) 2.500 0.800 0.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.44166E-02 ppm1 0.948 ppm2 0.800 CV 1 OR { 378} ( segid " " and resid 1930 and name HD1%) ( segid " " and resid 1957 and name HG1%) ASSI { 383} ( segid " " and resid 1920 and name HG1%) ( segid " " and resid 1920 and name HG2%) 2.000 0.500 0.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.20593E-01 ppm1 0.807 ppm2 0.977 CV 1 OR { 383} ( segid " " and resid 1920 and name HG1%) ( segid " " and resid 1838 and name HD1%) OR { 383} ( segid " " and resid 1920 and name HG1%) ( segid " " and resid 1897 and name HB% ) ASSI { 385} ( segid " " and resid 1923 and name HD2%) (( segid " " and resid 1960 and name HB2 )) 2.500 0.800 0.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.61557E-02 ppm1 0.982 ppm2 2.130 CV 1 OR { 385} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1921 and name HG3 )) ASSI { 388} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1838 and name HB3 )) 2.400 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.60987E-02 ppm1 0.978 ppm2 1.461 CV 1 OR { 388} ( segid " " and resid 1923 and name HD2%) (( segid " " and resid 1923 and name HB3 )) ASSI { 396} (( segid " " and resid 1933 and name HA )) (( segid " " and resid 1933 and name HD2 )) 2.200 0.600 0.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.58138E-02 ppm1 4.104 ppm2 1.655 CV 1 OR { 396} (( segid " " and resid 1923 and name HA )) (( segid " " and resid 1923 and name HG )) ASSI { 411} (( segid " " and resid 1972 and name HB2 )) (( segid " " and resid 1972 and name HD21)) 3.100 1.200 1.200 peak 411 spectrum 1 weight 0.10000E+01 volume 0.12173E-02 ppm1 2.808 ppm2 7.557 CV 1 OR { 411} (( segid " " and resid 1815 and name HB3 )) (( segid " " and resid 1815 and name HD21)) ASSI { 455} (( segid " " and resid 1969 and name HB2 )) (( segid " " and resid 1966 and name HA )) 2.500 0.800 0.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.56070E-02 ppm1 2.117 ppm2 4.178 CV 1 OR { 455} (( segid " " and resid 1969 and name HB2 )) (( segid " " and resid 1969 and name HA )) ASSI { 457} (( segid " " and resid 1969 and name HA )) (( segid " " and resid 1854 and name HE21)) 3.100 1.200 1.200 peak 457 spectrum 1 weight 0.10000E+01 volume 0.20269E-02 ppm1 4.189 ppm2 7.532 CV 1 OR { 457} (( segid " " and resid 1968 and name HA )) (( segid " " and resid 1854 and name HE21)) ASSI { 474} ( segid " " and resid 1968 and name HD1%) (( segid " " and resid 1854 and name H )) 3.900 1.900 1.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.12383E-02 ppm1 0.926 ppm2 8.839 CV 1 OR { 474} ( segid " " and resid 1872 and name HG1%) (( segid " " and resid 1874 and name H )) ASSI { 518} (( segid " " and resid 1967 and name HA )) (( segid " " and resid 1915 and name HB2 )) 4.500 2.500 1.500 peak 518 spectrum 1 weight 0.10000E+01 volume 0.62366E-03 ppm1 4.218 ppm2 3.355 CV 1 OR { 518} (( segid " " and resid 1967 and name HA )) (( segid " " and resid 1916 and name HA )) ASSI { 534} (( segid " " and resid 1966 and name HA )) (( segid " " and resid 1969 and name H )) 2.900 1.000 1.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.27525E-02 ppm1 4.170 ppm2 7.797 CV 1 OR { 534} (( segid " " and resid 1966 and name HA )) (( segid " " and resid 1967 and name H )) ASSI { 537} ( segid " " and resid 1865 and name HB% ) (( segid " " and resid 1865 and name H )) 2.300 0.700 0.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.72771E-02 ppm1 1.532 ppm2 7.809 CV 1 OR { 537} ( segid " " and resid 1966 and name HB% ) (( segid " " and resid 1967 and name H )) ASSI { 556} (( segid " " and resid 1965 and name HA )) (( segid " " and resid 1967 and name H )) 3.600 1.700 1.700 peak 556 spectrum 1 weight 0.10000E+01 volume 0.68665E-03 ppm1 3.893 ppm2 7.793 CV 1 OR { 556} (( segid " " and resid 1965 and name HA )) (( segid " " and resid 1969 and name H )) ASSI { 579} ( segid " " and resid 1965 and name HD1%) (( segid " " and resid 1862 and name HD3 )) 2.800 1.000 1.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.28065E-02 ppm1 0.839 ppm2 1.557 CV 1 OR { 579} ( segid " " and resid 1965 and name HD1%) ( segid " " and resid 1865 and name HB% ) ASSI { 583} ( segid " " and resid 1965 and name HD2%) ( segid " " and resid 1861 and name HB% ) 1.900 0.400 0.400 peak 583 spectrum 1 weight 0.10000E+01 volume 0.20623E-01 ppm1 0.940 ppm2 1.386 CV 1 OR { 583} ( segid " " and resid 1838 and name HD2%) ( segid " " and resid 1900 and name HB% ) ASSI { 591} (( segid " " and resid 1965 and name HA )) ( segid " " and resid 1964 and name HG1%) 3.000 1.200 1.200 peak 591 spectrum 1 weight 0.10000E+01 volume 0.38289E-02 ppm1 3.895 ppm2 0.829 CV 1 OR { 591} (( segid " " and resid 1965 and name HA )) ( segid " " and resid 1965 and name HD1%) ASSI { 593} (( segid " " and resid 1964 and name HB )) ( segid " " and resid 1961 and name HG1%) 3.400 1.500 1.500 peak 593 spectrum 1 weight 0.10000E+01 volume 0.12383E-02 ppm1 2.502 ppm2 0.922 CV 1 OR { 593} (( segid " " and resid 1964 and name HB )) ( segid " " and resid 1965 and name HD2%) ASSI { 597} ( segid " " and resid 1920 and name HG1%) ( segid " " and resid 1900 and name HB% ) 2.300 0.700 0.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.97384E-02 ppm1 0.834 ppm2 1.381 CV 1 OR { 597} ( segid " " and resid 1964 and name HG1%) ( segid " " and resid 1861 and name HB% ) ASSI { 601} ( segid " " and resid 1961 and name HG2%) ( segid " " and resid 1861 and name HB% ) 2.900 1.000 1.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.49983E-02 ppm1 1.011 ppm2 1.384 CV 1 OR { 601} ( segid " " and resid 1964 and name HG2%) ( segid " " and resid 1861 and name HB% ) ASSI { 607} (( segid " " and resid 1931 and name HA )) ( segid " " and resid 1886 and name HB% ) 2.800 1.000 1.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.23298E-02 ppm1 3.501 ppm2 1.463 CV 1 OR { 607} (( segid " " and resid 1964 and name HA )) (( segid " " and resid 1919 and name HG3 )) ASSI { 622} (( segid " " and resid 1964 and name HB )) (( segid " " and resid 1961 and name HA )) 2.600 0.900 0.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.34421E-02 ppm1 2.508 ppm2 3.477 CV 1 OR { 622} (( segid " " and resid 1964 and name HB )) (( segid " " and resid 1964 and name HA )) ASSI { 625} ( segid " " and resid 1964 and name HG2%) (( segid " " and resid 1964 and name HA )) 2.000 0.500 0.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.16671E-01 ppm1 1.013 ppm2 3.476 CV 1 OR { 625} ( segid " " and resid 1961 and name HG2%) (( segid " " and resid 1961 and name HA )) ASSI { 628} ( segid " " and resid 1961 and name HG2%) (( segid " " and resid 1958 and name HA )) 2.200 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.80237E-02 ppm1 1.006 ppm2 3.902 CV 1 OR { 628} ( segid " " and resid 1961 and name HG2%) (( segid " " and resid 1865 and name HA )) ASSI { 639} ( segid " " and resid 1872 and name HG2%) (( segid " " and resid 1873 and name H )) 3.000 1.100 1.100 peak 639 spectrum 1 weight 0.10000E+01 volume 0.56909E-02 ppm1 0.839 ppm2 8.179 CV 1 OR { 639} ( segid " " and resid 1964 and name HG1%) (( segid " " and resid 1964 and name H )) ASSI { 647} (( segid " " and resid 1868 and name HA )) (( segid " " and resid 1868 and name H )) 2.600 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.37840E-02 ppm1 3.439 ppm2 8.461 CV 1 OR { 647} (( segid " " and resid 1868 and name HA )) (( segid " " and resid 1871 and name H )) ASSI { 687} (( segid " " and resid 1957 and name HA )) (( segid " " and resid 1958 and name HA )) 3.900 1.900 1.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.97146E-03 ppm1 3.475 ppm2 3.907 CV 1 OR { 687} (( segid " " and resid 1961 and name HA )) (( segid " " and resid 1958 and name HA )) ASSI { 688} ( segid " " and resid 1961 and name HG1%) (( segid " " and resid 1862 and name HA )) 2.400 0.700 0.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.83777E-02 ppm1 0.916 ppm2 3.902 CV 1 OR { 688} ( segid " " and resid 1961 and name HG1%) (( segid " " and resid 1861 and name HA )) ASSI { 711} (( segid " " and resid 1960 and name HB3 )) (( segid " " and resid 1963 and name HB2 )) 3.700 1.700 1.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.90549E-03 ppm1 1.947 ppm2 3.453 CV 1 OR { 711} (( segid " " and resid 1960 and name HB3 )) (( segid " " and resid 1957 and name HA )) ASSI { 713} (( segid " " and resid 1957 and name HB )) (( segid " " and resid 1957 and name HA )) 2.900 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.21228E-02 ppm1 2.135 ppm2 3.456 CV 1 OR { 713} (( segid " " and resid 1960 and name HB2 )) (( segid " " and resid 1957 and name HA )) ASSI { 726} (( segid " " and resid 1959 and name HA )) (( segid " " and resid 1959 and name HB3 )) 2.400 0.700 0.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.80926E-02 ppm1 3.969 ppm2 1.989 CV 1 OR { 726} (( segid " " and resid 1949 and name HA )) (( segid " " and resid 1949 and name HG2 )) OR { 726} (( segid " " and resid 1959 and name HA )) (( segid " " and resid 1959 and name HG3 )) OR { 726} (( segid " " and resid 1911 and name HA )) (( segid " " and resid 1911 and name HB2 )) ASSI { 737} (( segid " " and resid 1959 and name HB3 )) (( segid " " and resid 1959 and name HB2 )) 1.800 0.400 0.400 peak 737 spectrum 1 weight 0.10000E+01 volume 0.19130E-01 ppm1 1.991 ppm2 2.115 CV 1 OR { 737} (( segid " " and resid 1911 and name HB2 )) (( segid " " and resid 1911 and name HG2 )) ASSI { 743} (( segid " " and resid 1955 and name HB2 )) (( segid " " and resid 1955 and name HA )) 2.200 0.600 0.600 peak 743 spectrum 1 weight 0.10000E+01 volume 0.10827E-01 ppm1 1.991 ppm2 3.961 CV 1 OR { 743} (( segid " " and resid 1959 and name HB3 )) (( segid " " and resid 1959 and name HA )) OR { 743} (( segid " " and resid 1955 and name HB3 )) (( segid " " and resid 1955 and name HA )) ASSI { 755} (( segid " " and resid 1949 and name HA )) (( segid " " and resid 1950 and name H )) 3.200 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 3.997 ppm2 8.404 CV 1 OR { 755} (( segid " " and resid 1949 and name HA )) (( segid " " and resid 1953 and name H )) ASSI { 771} (( segid " " and resid 1955 and name HG2 )) (( segid " " and resid 1955 and name HG3 )) 1.700 0.400 0.500 peak 771 spectrum 1 weight 0.10000E+01 volume 0.16988E-01 ppm1 1.761 ppm2 1.565 CV 1 OR { 771} (( segid " " and resid 1859 and name HG3 )) (( segid " " and resid 1859 and name HG2 )) ASSI { 774} (( segid " " and resid 1960 and name HD2 )) (( segid " " and resid 1960 and name HD3 )) 1.800 0.400 0.400 peak 774 spectrum 1 weight 0.10000E+01 volume 0.13268E-01 ppm1 1.762 ppm2 1.913 CV 1 OR { 774} (( segid " " and resid 1859 and name HG3 )) (( segid " " and resid 1859 and name HB2 )) OR { 774} (( segid " " and resid 1859 and name HG3 )) (( segid " " and resid 1859 and name HB3 )) ASSI { 778} (( segid " " and resid 1864 and name HG13)) ( segid " " and resid 1961 and name HG2%) 2.600 0.900 0.900 peak 778 spectrum 1 weight 0.10000E+01 volume 0.38529E-02 ppm1 2.050 ppm2 0.994 CV 1 OR { 778} (( segid " " and resid 1864 and name HG13)) ( segid " " and resid 1923 and name HD2%) ASSI { 779} (( segid " " and resid 1864 and name HG13)) ( segid " " and resid 1961 and name HG1%) 3.100 1.200 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.13853E-02 ppm1 2.030 ppm2 0.921 CV 1 OR { 779} (( segid " " and resid 1956 and name HB2 )) ( segid " " and resid 1957 and name HG2%) ASSI { 783} (( segid " " and resid 1956 and name HD3 )) (( segid " " and resid 1956 and name HG3 )) 2.200 0.600 0.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.95138E-02 ppm1 3.168 ppm2 1.873 CV 1 OR { 783} (( segid " " and resid 1895 and name HD3 )) (( segid " " and resid 1895 and name HB2 )) OR { 783} (( segid " " and resid 1956 and name HD3 )) (( segid " " and resid 1956 and name HB3 )) ASSI { 802} (( segid " " and resid 1895 and name HB2 )) (( segid " " and resid 1895 and name H )) 2.600 0.800 0.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.35261E-02 ppm1 1.874 ppm2 7.713 CV 1 OR { 802} (( segid " " and resid 1956 and name HB3 )) (( segid " " and resid 1956 and name H )) ASSI { 837} (( segid " " and resid 1895 and name HD3 )) (( segid " " and resid 1895 and name HG3 )) 2.200 0.600 0.600 peak 837 spectrum 1 weight 0.10000E+01 volume 0.99367E-02 ppm1 3.192 ppm2 1.559 CV 1 OR { 837} (( segid " " and resid 1955 and name HD2 )) (( segid " " and resid 1955 and name HG3 )) OR { 837} (( segid " " and resid 1895 and name HD2 )) (( segid " " and resid 1895 and name HG3 )) ASSI { 840} (( segid " " and resid 1859 and name HD3 )) (( segid " " and resid 1859 and name HG2 )) 2.500 0.800 0.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.53521E-02 ppm1 3.121 ppm2 1.569 CV 1 OR { 840} (( segid " " and resid 1859 and name HD2 )) (( segid " " and resid 1859 and name HG2 )) OR { 840} (( segid " " and resid 1955 and name HD3 )) (( segid " " and resid 1955 and name HG3 )) ASSI { 865} (( segid " " and resid 1954 and name HA )) ( segid " " and resid 1868 and name HG2%) 2.200 0.600 0.600 peak 865 spectrum 1 weight 0.10000E+01 volume 0.10443E-01 ppm1 3.836 ppm2 0.920 CV 1 OR { 865} (( segid " " and resid 1954 and name HA )) ( segid " " and resid 1957 and name HG2%) ASSI { 867} ( segid " " and resid 1954 and name HB% ) ( segid " " and resid 1868 and name HG2%) 1.800 0.400 0.400 peak 867 spectrum 1 weight 0.10000E+01 volume 0.31102E-01 ppm1 1.313 ppm2 0.917 CV 1 OR { 867} ( segid " " and resid 1954 and name HB% ) ( segid " " and resid 1930 and name HD2%) ASSI { 893} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1951 and name H )) 4.100 2.100 1.900 peak 893 spectrum 1 weight 0.10000E+01 volume 0.55770E-03 ppm1 3.089 ppm2 8.085 CV 1 OR { 893} (( segid " " and resid 1953 and name HB2 )) (( segid " " and resid 1955 and name H )) ASSI { 933} (( segid " " and resid 1953 and name HB3 )) ( segid " " and resid 1930 and name HD2%) 2.800 2.800 3.200 peak 933 spectrum 1 weight 0.10000E+01 volume 0.37180E-02 ppm1 2.744 ppm2 0.914 CV 1 OR { 933} (( segid " " and resid 1953 and name HB3 )) ( segid " " and resid 1957 and name HG2%) ASSI { 939} (( segid " " and resid 1827 and name HA )) (( segid " " and resid 1827 and name HB3 )) 2.600 0.900 0.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.42457E-02 ppm1 4.161 ppm2 2.321 CV 1 OR { 939} (( segid " " and resid 1952 and name HA )) (( segid " " and resid 1952 and name HG3 )) ASSI { 953} (( segid " " and resid 1951 and name HB )) (( segid " " and resid 1950 and name H )) 4.500 2.500 1.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.53371E-03 ppm1 1.969 ppm2 8.404 CV 1 OR { 953} (( segid " " and resid 1951 and name HB )) (( segid " " and resid 1953 and name H )) ASSI { 988} ( segid " " and resid 1951 and name HD1%) (( segid " " and resid 1951 and name HG13)) 2.300 0.600 0.600 peak 988 spectrum 1 weight 0.10000E+01 volume 0.86983E-02 ppm1 0.816 ppm2 1.754 CV 1 OR { 988} ( segid " " and resid 1810 and name HD1%) (( segid " " and resid 1810 and name HB )) ASSI { 1010} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1952 and name HG3 )) 4.500 2.500 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.45276E-03 ppm1 3.683 ppm2 2.320 CV 1 OR { 1010} (( segid " " and resid 1871 and name HA )) (( segid " " and resid 1881 and name HB2 )) OR { 1010} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1952 and name HG2 )) ASSI { 1011} (( segid " " and resid 1871 and name HA )) (( segid " " and resid 1871 and name HG2 )) 2.500 0.800 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.37720E-02 ppm1 3.682 ppm2 2.119 CV 1 OR { 1011} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1950 and name HB3 )) ASSI { 1020} (( segid " " and resid 1871 and name HA )) ( segid " " and resid 1885 and name HD1%) 2.300 0.700 0.700 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.53851E-02 ppm1 3.681 ppm2 0.757 CV 1 OR { 1020} (( segid " " and resid 1950 and name HA )) ( segid " " and resid 1950 and name HD2%) ASSI { 1033} (( segid " " and resid 1948 and name HA )) (( segid " " and resid 1948 and name HB2 )) 1.900 0.400 0.400 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.18827E-01 ppm1 3.903 ppm2 1.908 CV 1 OR { 1033} (( segid " " and resid 1859 and name HA )) (( segid " " and resid 1859 and name HB3 )) ASSI { 1034} (( segid " " and resid 1859 and name HA )) (( segid " " and resid 1859 and name HG3 )) 2.500 0.800 0.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.68452E-02 ppm1 3.903 ppm2 1.763 CV 1 OR { 1034} (( segid " " and resid 1948 and name HA )) (( segid " " and resid 1951 and name HG13)) ASSI { 1035} (( segid " " and resid 1859 and name HA )) (( segid " " and resid 1859 and name HG2 )) 2.100 0.600 0.600 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.10494E-01 ppm1 3.903 ppm2 1.564 CV 1 OR { 1035} (( segid " " and resid 1862 and name HA )) ( segid " " and resid 1865 and name HB% ) ASSI { 1036} (( segid " " and resid 1948 and name HA )) (( segid " " and resid 1948 and name HG2 )) 2.300 0.700 0.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.74297E-02 ppm1 3.904 ppm2 1.353 CV 1 OR { 1036} (( segid " " and resid 1862 and name HA )) (( segid " " and resid 1862 and name HG2 )) ASSI { 1050} (( segid " " and resid 1937 and name HB3 )) ( segid " " and resid 1937 and name HD1%) 2.400 0.700 0.700 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.43177E-02 ppm1 1.769 ppm2 0.946 CV 1 OR { 1050} (( segid " " and resid 1937 and name HB3 )) ( segid " " and resid 1882 and name HD1%) ASSI { 1057} (( segid " " and resid 1838 and name HB3 )) (( segid " " and resid 1921 and name HG3 )) 3.800 1.800 1.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.83655E-03 ppm1 1.463 ppm2 2.119 CV 1 OR { 1057} (( segid " " and resid 1923 and name HB3 )) (( segid " " and resid 1960 and name HB2 )) ASSI { 1090} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1950 and name H )) 2.700 0.900 0.900 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.29114E-02 ppm1 3.688 ppm2 8.400 CV 1 OR { 1090} (( segid " " and resid 1950 and name HA )) (( segid " " and resid 1953 and name H )) ASSI { 1100} (( segid " " and resid 1950 and name HG )) (( segid " " and resid 1951 and name H )) 3.900 1.900 1.900 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.81557E-03 ppm1 1.551 ppm2 8.094 CV 1 OR { 1100} (( segid " " and resid 1895 and name HG3 )) (( segid " " and resid 1896 and name H )) ASSI { 1112} (( segid " " and resid 1949 and name HB2 )) (( segid " " and resid 1950 and name HB2 )) 3.800 1.800 1.800 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.90549E-03 ppm1 2.199 ppm2 1.577 CV 1 OR { 1112} (( segid " " and resid 1949 and name HB2 )) (( segid " " and resid 1933 and name HD3 )) ASSI { 1126} (( segid " " and resid 1948 and name HB2 )) (( segid " " and resid 1948 and name HG2 )) 2.300 0.600 0.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.69051E-02 ppm1 1.906 ppm2 1.359 CV 1 OR { 1126} (( segid " " and resid 1947 and name HB3 )) (( segid " " and resid 1947 and name HG2 )) OR { 1126} (( segid " " and resid 1948 and name HB3 )) (( segid " " and resid 1948 and name HG2 )) ASSI { 1131} (( segid " " and resid 1862 and name HE2 )) ( segid " " and resid 1965 and name HD1%) 2.600 0.900 0.900 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.60268E-02 ppm1 2.780 ppm2 0.844 CV 1 OR { 1131} (( segid " " and resid 1862 and name HE2 )) ( segid " " and resid 1858 and name HG2%) ASSI { 1138} (( segid " " and resid 1901 and name HG2 )) (( segid " " and resid 1901 and name HG3 )) 1.900 0.400 0.400 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.94925E-02 ppm1 1.551 ppm2 1.366 CV 1 OR { 1138} (( segid " " and resid 1948 and name HG3 )) (( segid " " and resid 1948 and name HG2 )) ASSI { 1147} (( segid " " and resid 1948 and name HG3 )) (( segid " " and resid 1952 and name HG2 )) 4.300 2.300 1.700 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.44676E-03 ppm1 1.563 ppm2 2.317 CV 1 OR { 1147} (( segid " " and resid 1948 and name HG3 )) (( segid " " and resid 1949 and name HG3 )) ASSI { 1148} (( segid " " and resid 1859 and name HA )) (( segid " " and resid 1858 and name HA )) 4.000 2.000 2.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.42577E-03 ppm1 3.901 ppm2 3.385 CV 1 OR { 1148} (( segid " " and resid 1857 and name HA )) (( segid " " and resid 1858 and name HA )) ASSI { 1157} (( segid " " and resid 1947 and name HG2 )) (( segid " " and resid 1948 and name H )) 3.300 1.400 1.400 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.19190E-02 ppm1 1.361 ppm2 7.810 CV 1 OR { 1157} (( segid " " and resid 1948 and name HG2 )) (( segid " " and resid 1948 and name H )) ASSI { 1162} (( segid " " and resid 1948 and name HB3 )) (( segid " " and resid 1948 and name H )) 2.000 0.500 0.500 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.13565E-01 ppm1 1.906 ppm2 7.811 CV 1 OR { 1162} (( segid " " and resid 1947 and name HB3 )) (( segid " " and resid 1947 and name H )) OR { 1162} (( segid " " and resid 1948 and name HB2 )) (( segid " " and resid 1948 and name H )) ASSI { 1175} (( segid " " and resid 1879 and name HB3 )) ( segid " " and resid 1937 and name HD1%) 2.500 0.800 0.800 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.45965E-02 ppm1 1.899 ppm2 0.949 CV 1 OR { 1175} (( segid " " and resid 1879 and name HB3 )) ( segid " " and resid 1882 and name HD1%) ASSI { 1195} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1947 and name H )) 2.600 0.900 0.900 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.34301E-02 ppm1 3.784 ppm2 7.815 CV 1 OR { 1195} (( segid " " and resid 1947 and name HA )) (( segid " " and resid 1948 and name H )) ASSI { 1197} (( segid " " and resid 1948 and name HB3 )) (( segid " " and resid 1950 and name H )) 4.200 2.200 1.800 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.56370E-03 ppm1 1.912 ppm2 8.386 CV 1 OR { 1197} (( segid " " and resid 1947 and name HB3 )) (( segid " " and resid 1950 and name H )) ASSI { 1199} (( segid " " and resid 1947 and name HG3 )) (( segid " " and resid 1947 and name H )) 3.900 1.900 1.900 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.12653E-02 ppm1 1.412 ppm2 7.815 CV 1 OR { 1199} (( segid " " and resid 1947 and name HG3 )) (( segid " " and resid 1948 and name H )) ASSI { 1214} (( segid " " and resid 1860 and name HA )) (( segid " " and resid 1896 and name HG )) 4.400 2.500 1.600 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.58768E-03 ppm1 3.888 ppm2 1.375 CV 1 OR { 1214} (( segid " " and resid 1860 and name HA )) ( segid " " and resid 1861 and name HB% ) ASSI { 1240} (( segid " " and resid 1898 and name HA )) ( segid " " and resid 1900 and name HB% ) 3.400 1.500 1.500 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.96245E-03 ppm1 4.155 ppm2 1.381 CV 1 OR { 1240} (( segid " " and resid 1898 and name HA )) (( segid " " and resid 1901 and name HG3 )) ASSI { 1257} (( segid " " and resid 1945 and name HB3 )) (( segid " " and resid 1947 and name H )) 4.100 2.100 1.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.86056E-03 ppm1 3.149 ppm2 7.817 CV 1 OR { 1257} (( segid " " and resid 1945 and name HB3 )) (( segid " " and resid 1948 and name H )) OR { 1257} (( segid " " and resid 1945 and name HB2 )) (( segid " " and resid 1947 and name H )) ASSI { 1284} ( segid " " and resid 1944 and name HG1%) (( segid " " and resid 1944 and name HB )) 2.100 0.500 0.500 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.16830E-01 ppm1 0.899 ppm2 2.005 CV 1 OR { 1284} ( segid " " and resid 1851 and name HG2%) (( segid " " and resid 1851 and name HB )) OR { 1284} ( segid " " and resid 1944 and name HG2%) (( segid " " and resid 1944 and name HB )) ASSI { 1308} (( segid " " and resid 1943 and name HB2 )) (( segid " " and resid 1946 and name H )) 4.200 2.200 1.800 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.91752E-03 ppm1 2.666 ppm2 8.129 CV 1 OR { 1308} (( segid " " and resid 1943 and name HB2 )) (( segid " " and resid 1942 and name H )) ASSI { 1339} (( segid " " and resid 1941 and name HG3 )) (( segid " " and resid 1941 and name HB3 )) 2.000 0.500 0.500 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.11568E-01 ppm1 1.989 ppm2 2.147 CV 1 OR { 1339} (( segid " " and resid 1842 and name HG2 )) (( segid " " and resid 1842 and name HB2 )) ASSI { 1340} (( segid " " and resid 1842 and name HG3 )) (( segid " " and resid 1842 and name HB2 )) 2.100 0.500 0.500 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.15040E-01 ppm1 1.935 ppm2 2.147 CV 1 OR { 1340} (( segid " " and resid 1846 and name HG3 )) (( segid " " and resid 1846 and name HB3 )) ASSI { 1341} (( segid " " and resid 1941 and name HB3 )) (( segid " " and resid 1941 and name HB2 )) 1.600 0.300 0.600 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.22482E-01 ppm1 2.145 ppm2 1.982 CV 1 OR { 1341} (( segid " " and resid 1842 and name HB2 )) (( segid " " and resid 1842 and name HG2 )) ASSI { 1345} (( segid " " and resid 1941 and name HB2 )) (( segid " " and resid 1941 and name HD2 )) 3.800 1.800 1.800 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.15262E-02 ppm1 1.995 ppm2 3.412 CV 1 OR { 1345} (( segid " " and resid 1941 and name HB2 )) (( segid " " and resid 1879 and name HD3 )) ASSI { 1351} (( segid " " and resid 1846 and name HB3 )) (( segid " " and resid 1846 and name HD3 )) 2.800 1.000 1.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.21378E-02 ppm1 2.145 ppm2 3.755 CV 1 OR { 1351} (( segid " " and resid 1941 and name HB3 )) (( segid " " and resid 1938 and name HA )) ASSI { 1415} (( segid " " and resid 1938 and name HB2 )) ( segid " " and resid 1823 and name HG2%) 3.200 1.200 1.200 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.17241E-02 ppm1 2.212 ppm2 0.939 CV 1 OR { 1415} (( segid " " and resid 1938 and name HB2 )) ( segid " " and resid 1882 and name HD1%) ASSI { 1417} (( segid " " and resid 1938 and name HG2 )) ( segid " " and resid 1882 and name HD1%) 3.600 1.600 1.600 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 2.343 ppm2 0.946 CV 1 OR { 1417} (( segid " " and resid 1938 and name HG2 )) ( segid " " and resid 1937 and name HD1%) ASSI { 1476} ( segid " " and resid 1937 and name HD1%) (( segid " " and resid 1879 and name HB2 )) 2.800 1.000 1.000 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.24647E-02 ppm1 0.935 ppm2 2.159 CV 1 OR { 1476} ( segid " " and resid 1937 and name HD1%) (( segid " " and resid 1941 and name HB3 )) ASSI { 1481} (( segid " " and resid 1937 and name HB2 )) (( segid " " and resid 1938 and name HA )) 4.800 2.800 1.200 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.38080E-03 ppm1 1.253 ppm2 3.749 CV 1 OR { 1481} (( segid " " and resid 1937 and name HB2 )) (( segid " " and resid 1940 and name HB2 )) ASSI { 1484} ( segid " " and resid 1920 and name HG2%) (( segid " " and resid 1920 and name HA )) 2.300 0.600 0.600 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.92467E-02 ppm1 0.969 ppm2 3.608 CV 1 OR { 1484} ( segid " " and resid 1920 and name HG2%) (( segid " " and resid 1917 and name HA )) ASSI { 1486} (( segid " " and resid 1937 and name HG )) (( segid " " and resid 1947 and name HA )) 3.500 3.500 2.500 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.51572E-03 ppm1 1.651 ppm2 3.795 CV 1 OR { 1486} (( segid " " and resid 1812 and name HG3 )) (( segid " " and resid 1812 and name HD2 )) ASSI { 1496} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1927 and name HB2 )) 4.500 2.600 1.500 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.39279E-03 ppm1 1.013 ppm2 2.844 CV 1 OR { 1496} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1893 and name HB3 )) ASSI { 1498} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1864 and name HB )) 3.600 1.600 1.600 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.84556E-03 ppm1 1.016 ppm2 2.238 CV 1 OR { 1498} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1927 and name HB3 )) OR { 1498} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1924 and name HA2 )) ASSI { 1514} (( segid " " and resid 1937 and name HA )) (( segid " " and resid 1936 and name H )) 4.800 2.900 1.200 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.29684E-03 ppm1 4.050 ppm2 7.667 CV 1 OR { 1514} (( segid " " and resid 1937 and name HA )) (( segid " " and resid 1943 and name H )) ASSI { 1523} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1923 and name H )) 3.900 1.900 1.900 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.13193E-02 ppm1 1.014 ppm2 8.167 CV 1 OR { 1523} ( segid " " and resid 1923 and name HD1%) (( segid " " and resid 1964 and name H )) ASSI { 1536} (( segid " " and resid 1863 and name HA )) (( segid " " and resid 1863 and name H )) 2.800 0.900 0.900 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.33492E-02 ppm1 4.146 ppm2 7.651 CV 1 OR { 1536} (( segid " " and resid 1936 and name HA )) (( segid " " and resid 1936 and name H )) ASSI { 1539} ( segid " " and resid 1929 and name HB% ) (( segid " " and resid 1929 and name HA )) 1.900 0.500 0.500 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.27897E-01 ppm1 1.504 ppm2 4.122 CV 1 OR { 1539} ( segid " " and resid 1936 and name HB% ) (( segid " " and resid 1936 and name HA )) ASSI { 1545} (( segid " " and resid 1935 and name HA2 )) (( segid " " and resid 1823 and name HB )) 3.800 1.800 1.800 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.97146E-03 ppm1 3.746 ppm2 2.133 CV 1 OR { 1545} (( segid " " and resid 1935 and name HA2 )) (( segid " " and resid 1938 and name HB3 )) ASSI { 1553} (( segid " " and resid 1825 and name HA2 )) ( segid " " and resid 1828 and name HG1%) 2.600 0.900 0.900 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.32952E-02 ppm1 3.743 ppm2 0.936 CV 1 OR { 1553} (( segid " " and resid 1935 and name HA2 )) ( segid " " and resid 1823 and name HG1%) ASSI { 1577} (( segid " " and resid 1934 and name HA )) (( segid " " and resid 1937 and name HB2 )) 3.100 1.200 1.200 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.24227E-02 ppm1 3.915 ppm2 1.260 CV 1 OR { 1577} (( segid " " and resid 1904 and name HA )) ( segid " " and resid 1903 and name HB% ) ASSI { 1581} (( segid " " and resid 1885 and name HA )) ( segid " " and resid 1867 and name HG2%) 2.800 1.000 1.000 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.23837E-02 ppm1 4.114 ppm2 1.177 CV 1 OR { 1581} (( segid " " and resid 1933 and name HA )) ( segid " " and resid 1932 and name HG2%) ASSI { 1596} (( segid " " and resid 1933 and name HE3 )) (( segid " " and resid 1949 and name HB3 )) 3.300 1.400 1.400 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.24137E-02 ppm1 2.834 ppm2 1.812 CV 1 OR { 1596} (( segid " " and resid 1862 and name HE3 )) (( segid " " and resid 1862 and name HB2 )) ASSI { 1611} (( segid " " and resid 1874 and name HB2 )) (( segid " " and resid 1871 and name HA )) 2.800 0.900 0.900 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.23238E-02 ppm1 1.701 ppm2 3.679 CV 1 OR { 1611} (( segid " " and resid 1933 and name HB3 )) (( segid " " and resid 1950 and name HA )) OR { 1611} (( segid " " and resid 1874 and name HB3 )) (( segid " " and resid 1871 and name HA )) ASSI { 1640} (( segid " " and resid 1930 and name HB2 )) ( segid " " and resid 1930 and name HD1%) 2.300 0.700 0.700 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.58078E-02 ppm1 1.951 ppm2 0.932 CV 1 OR { 1640} (( segid " " and resid 1882 and name HB3 )) ( segid " " and resid 1882 and name HD1%) OR { 1640} (( segid " " and resid 1930 and name HB2 )) ( segid " " and resid 1957 and name HG2%) ASSI { 1655} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1930 and name HB2 )) 2.600 0.800 0.800 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.44856E-02 ppm1 0.948 ppm2 1.940 CV 1 OR { 1655} (( segid " " and resid 1835 and name HG12)) (( segid " " and resid 1835 and name HB )) ASSI { 1664} ( segid " " and resid 1930 and name HD1%) (( segid " " and resid 1953 and name HB3 )) 4.000 2.000 2.000 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.77058E-03 ppm1 0.940 ppm2 2.750 CV 1 OR { 1664} (( segid " " and resid 1835 and name HG12)) (( segid " " and resid 1921 and name HG2 )) ASSI { 1669} ( segid " " and resid 1882 and name HD2%) (( segid " " and resid 1871 and name HA )) 2.200 0.600 0.600 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.87974E-02 ppm1 0.893 ppm2 3.684 CV 1 OR { 1669} ( segid " " and resid 1930 and name HD2%) (( segid " " and resid 1950 and name HA )) ASSI { 1674} (( segid " " and resid 1882 and name HB3 )) (( segid " " and resid 1934 and name HA )) 2.900 1.000 1.000 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.19789E-02 ppm1 1.954 ppm2 3.927 CV 1 OR { 1674} (( segid " " and resid 1930 and name HB2 )) (( segid " " and resid 1927 and name HA )) ASSI { 1699} (( segid " " and resid 1864 and name HA )) (( segid " " and resid 1864 and name HB )) 2.600 0.800 0.800 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.33732E-02 ppm1 3.916 ppm2 2.235 CV 1 OR { 1699} (( segid " " and resid 1927 and name HA )) (( segid " " and resid 1927 and name HB3 )) ASSI { 1788} (( segid " " and resid 1837 and name HA )) (( segid " " and resid 1837 and name HB3 )) 2.300 0.700 0.700 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.78648E-02 ppm1 4.124 ppm2 2.247 CV 1 OR { 1788} (( segid " " and resid 1885 and name HA )) (( segid " " and resid 1888 and name HB3 )) ASSI { 1820} (( segid " " and resid 1920 and name HB )) (( segid " " and resid 1917 and name HA )) 2.800 1.000 1.000 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.21798E-02 ppm1 2.265 ppm2 3.608 CV 1 OR { 1820} (( segid " " and resid 1920 and name HB )) (( segid " " and resid 1920 and name HA )) ASSI { 1823} (( segid " " and resid 1920 and name HA )) (( segid " " and resid 1919 and name HB2 )) 4.100 2.100 1.900 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.50673E-03 ppm1 3.607 ppm2 1.775 CV 1 OR { 1823} (( segid " " and resid 1920 and name HA )) ( segid " " and resid 1857 and name HE% ) ASSI { 1838} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1835 and name HA )) 2.600 0.800 0.800 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.51242E-02 ppm1 0.980 ppm2 3.599 CV 1 OR { 1838} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1917 and name HA )) ASSI { 1841} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1837 and name HG3 )) 4.000 2.000 2.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.12833E-02 ppm1 0.977 ppm2 2.576 CV 1 OR { 1841} ( segid " " and resid 1838 and name HD1%) (( segid " " and resid 1921 and name HB2 )) ASSI { 1845} ( segid " " and resid 1937 and name HD2%) (( segid " " and resid 1937 and name HA )) 2.000 0.500 0.500 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.14257E-01 ppm1 0.965 ppm2 4.053 CV 1 OR { 1845} ( segid " " and resid 1937 and name HD2%) (( segid " " and resid 1946 and name HB )) ASSI { 1865} ( segid " " and resid 1920 and name HG1%) (( segid " " and resid 1920 and name H )) 3.500 1.600 1.600 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.19490E-02 ppm1 0.806 ppm2 8.525 CV 1 OR { 1865} ( segid " " and resid 1964 and name HG1%) (( segid " " and resid 1920 and name H )) ASSI { 1877} (( segid " " and resid 1915 and name HB2 )) ( segid " " and resid 1967 and name HB% ) 3.800 1.800 1.800 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.16671E-02 ppm1 3.349 ppm2 1.398 CV 1 OR { 1877} (( segid " " and resid 1915 and name HB2 )) ( segid " " and resid 1914 and name HB% ) ASSI { 1879} (( segid " " and resid 1918 and name HA )) ( segid " " and resid 1838 and name HD1%) 4.000 2.000 2.000 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.80656E-03 ppm1 4.605 ppm2 0.969 CV 1 OR { 1879} (( segid " " and resid 1918 and name HA )) ( segid " " and resid 1920 and name HG2%) ASSI { 1881} (( segid " " and resid 1918 and name HB2 )) (( segid " " and resid 1919 and name HB2 )) 4.200 2.200 1.800 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.65961E-03 ppm1 3.280 ppm2 1.760 CV 1 OR { 1881} (( segid " " and resid 1915 and name HB3 )) (( segid " " and resid 1919 and name HB2 )) ASSI { 1882} (( segid " " and resid 1918 and name HB2 )) (( segid " " and resid 1919 and name HG2 )) 3.300 1.300 1.300 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.14212E-02 ppm1 3.278 ppm2 2.028 CV 1 OR { 1882} (( segid " " and resid 1915 and name HB3 )) (( segid " " and resid 1919 and name HG2 )) ASSI { 1889} (( segid " " and resid 1918 and name HA )) (( segid " " and resid 1918 and name HB2 )) 2.200 0.600 0.600 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.12737E-01 ppm1 4.598 ppm2 3.276 CV 1 OR { 1889} (( segid " " and resid 1918 and name HA )) (( segid " " and resid 1918 and name HB3 )) OR { 1889} (( segid " " and resid 1915 and name HA )) (( segid " " and resid 1915 and name HB3 )) OR { 1889} (( segid " " and resid 1915 and name HA )) (( segid " " and resid 1918 and name HB2 )) ASSI { 1899} (( segid " " and resid 1918 and name HB3 )) (( segid " " and resid 1918 and name HD2 )) 3.300 1.300 1.300 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.15861E-02 ppm1 3.276 ppm2 7.032 CV 1 OR { 1899} (( segid " " and resid 1918 and name HB2 )) (( segid " " and resid 1918 and name HD2 )) OR { 1899} (( segid " " and resid 1915 and name HB3 )) (( segid " " and resid 1915 and name HD2 )) ASSI { 1926} (( segid " " and resid 1917 and name HA )) (( segid " " and resid 1921 and name HG2 )) 4.500 2.500 1.500 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.34781E-03 ppm1 3.607 ppm2 2.751 CV 1 OR { 1926} (( segid " " and resid 1917 and name HA )) (( segid " " and resid 1917 and name HE2 )) ASSI { 1946} (( segid " " and resid 1917 and name HA )) ( segid " " and resid 1920 and name HG2%) 2.800 1.000 1.000 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.31962E-02 ppm1 3.612 ppm2 0.964 CV 1 OR { 1946} (( segid " " and resid 1917 and name HA )) ( segid " " and resid 1838 and name HD1%) ASSI { 1951} (( segid " " and resid 1862 and name HB3 )) ( segid " " and resid 1965 and name HD1%) 4.000 2.000 2.000 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 1.844 ppm2 0.848 CV 1 OR { 1951} (( segid " " and resid 1862 and name HB2 )) ( segid " " and resid 1965 and name HD1%) OR { 1951} (( segid " " and resid 1862 and name HB2 )) ( segid " " and resid 1858 and name HG2%) ASSI { 1982} (( segid " " and resid 1916 and name HG13)) (( segid " " and resid 1917 and name H )) 4.600 2.700 1.400 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.34781E-03 ppm1 0.689 ppm2 7.887 CV 1 OR { 1982} (( segid " " and resid 1916 and name HG12)) (( segid " " and resid 1968 and name H )) OR { 1982} (( segid " " and resid 1916 and name HG12)) (( segid " " and resid 1917 and name H )) ASSI { 2016} (( segid " " and resid 1916 and name HA )) ( segid " " and resid 1967 and name HB% ) 2.400 0.700 0.700 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.53521E-02 ppm1 3.375 ppm2 1.384 CV 1 OR { 2016} (( segid " " and resid 1858 and name HA )) ( segid " " and resid 1861 and name HB% ) ASSI { 2018} (( segid " " and resid 1916 and name HB )) ( segid " " and resid 1967 and name HB% ) 4.200 2.200 1.800 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.67461E-03 ppm1 2.030 ppm2 1.398 CV 1 OR { 2018} (( segid " " and resid 1916 and name HB )) ( segid " " and resid 1900 and name HB% ) ASSI { 2030} ( segid " " and resid 1916 and name HG2%) ( segid " " and resid 1900 and name HB% ) 2.600 0.800 0.800 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.66051E-02 ppm1 0.768 ppm2 1.389 CV 1 OR { 2030} ( segid " " and resid 1916 and name HG2%) ( segid " " and resid 1967 and name HB% ) ASSI { 2032} ( segid " " and resid 1916 and name HG2%) (( segid " " and resid 1917 and name HG2 )) 4.000 2.000 2.000 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.91752E-03 ppm1 0.771 ppm2 1.139 CV 1 OR { 2032} ( segid " " and resid 1916 and name HG2%) ( segid " " and resid 1907 and name HB% ) ASSI { 2088} (( segid " " and resid 1883 and name HA3 )) ( segid " " and resid 1823 and name HG2%) 4.200 2.200 1.800 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.48874E-03 ppm1 4.081 ppm2 0.923 CV 1 OR { 2088} (( segid " " and resid 1883 and name HA3 )) ( segid " " and resid 1824 and name HG2%) ASSI { 2092} (( segid " " and resid 1893 and name HA )) ( segid " " and resid 1923 and name HD1%) 3.500 1.500 1.500 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.12293E-02 ppm1 3.817 ppm2 0.998 CV 1 OR { 2092} (( segid " " and resid 1893 and name HA )) ( segid " " and resid 1897 and name HB% ) OR { 2092} (( segid " " and resid 1912 and name HA )) ( segid " " and resid 1916 and name HD1%) ASSI { 2094} (( segid " " and resid 1912 and name HB )) (( segid " " and resid 1912 and name HG12)) 2.600 0.900 0.900 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.26865E-02 ppm1 1.658 ppm2 1.139 CV 1 OR { 2094} (( segid " " and resid 1912 and name HB )) ( segid " " and resid 1907 and name HB% ) ASSI { 2166} (( segid " " and resid 1893 and name HA )) (( segid " " and resid 1896 and name H )) 2.900 1.000 1.000 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.22638E-02 ppm1 3.817 ppm2 8.087 CV 1 OR { 2166} (( segid " " and resid 1912 and name HA )) (( segid " " and resid 1913 and name H )) ASSI { 2171} (( segid " " and resid 1911 and name HB2 )) (( segid " " and resid 1912 and name HG12)) 3.500 1.600 1.600 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 1.963 ppm2 1.139 CV 1 OR { 2171} (( segid " " and resid 1908 and name HB2 )) ( segid " " and resid 1907 and name HB% ) ASSI { 2182} (( segid " " and resid 1847 and name HG2 )) (( segid " " and resid 1847 and name HB2 )) 2.000 0.500 0.500 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.22509E-01 ppm1 2.255 ppm2 2.069 CV 1 OR { 2182} (( segid " " and resid 1880 and name HG3 )) (( segid " " and resid 1880 and name HB2 )) ASSI { 2183} (( segid " " and resid 1911 and name HG3 )) (( segid " " and resid 1911 and name HB2 )) 2.000 0.500 0.500 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.18787E-01 ppm1 2.171 ppm2 1.968 CV 1 OR { 2183} (( segid " " and resid 1908 and name HG3 )) (( segid " " and resid 1908 and name HB3 )) OR { 2183} (( segid " " and resid 1908 and name HG3 )) (( segid " " and resid 1908 and name HB2 )) ASSI { 2184} (( segid " " and resid 1847 and name HG2 )) (( segid " " and resid 1847 and name HB3 )) 2.300 0.700 0.700 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.80270E-02 ppm1 2.259 ppm2 1.900 CV 1 OR { 2184} (( segid " " and resid 1840 and name HG2 )) (( segid " " and resid 1840 and name HB3 )) ASSI { 2185} (( segid " " and resid 1840 and name HG3 )) (( segid " " and resid 1840 and name HB3 )) 2.600 0.900 0.900 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.54450E-02 ppm1 2.188 ppm2 1.893 CV 1 OR { 2185} (( segid " " and resid 1847 and name HG3 )) (( segid " " and resid 1847 and name HB3 )) ASSI { 2198} (( segid " " and resid 1880 and name HG3 )) (( segid " " and resid 1881 and name H )) 2.900 1.000 1.000 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.25486E-02 ppm1 2.250 ppm2 8.068 CV 1 OR { 2198} (( segid " " and resid 1908 and name HG2 )) (( segid " " and resid 1908 and name H )) ASSI { 2201} (( segid " " and resid 1908 and name HB2 )) (( segid " " and resid 1908 and name H )) 2.300 0.700 0.700 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.64494E-02 ppm1 1.967 ppm2 8.073 CV 1 OR { 2201} (( segid " " and resid 1955 and name HB2 )) (( segid " " and resid 1955 and name H )) ASSI { 2284} (( segid " " and resid 1851 and name HA )) (( segid " " and resid 1852 and name H )) 3.400 1.500 1.500 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.88154E-03 ppm1 3.749 ppm2 7.317 CV 1 OR { 2284} (( segid " " and resid 1905 and name HA )) (( segid " " and resid 1907 and name H )) ASSI { 2343} (( segid " " and resid 1885 and name HG )) ( segid " " and resid 1885 and name HD2%) 2.200 0.600 0.600 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.85753E-02 ppm1 1.874 ppm2 0.949 CV 1 OR { 2343} (( segid " " and resid 1838 and name HG )) ( segid " " and resid 1838 and name HD2%) ASSI { 2362} (( segid " " and resid 1902 and name HG2 )) (( segid " " and resid 1899 and name HA )) 2.600 0.900 0.900 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.47194E-02 ppm1 1.873 ppm2 4.114 CV 1 OR { 2362} (( segid " " and resid 1956 and name HG3 )) (( segid " " and resid 1956 and name HA )) OR { 2362} (( segid " " and resid 1885 and name HG )) (( segid " " and resid 1885 and name HA )) ASSI { 2364} (( segid " " and resid 1859 and name HB3 )) (( segid " " and resid 1859 and name HA )) 2.200 0.600 0.600 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.11478E-01 ppm1 1.916 ppm2 3.898 CV 1 OR { 2364} (( segid " " and resid 1859 and name HB2 )) (( segid " " and resid 1859 and name HA )) OR { 2364} (( segid " " and resid 1859 and name HB2 )) (( segid " " and resid 1856 and name HA )) ASSI { 2375} (( segid " " and resid 1902 and name HG2 )) ( segid " " and resid 1853 and name HE% ) 4.200 2.200 1.800 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.42577E-03 ppm1 1.864 ppm2 6.669 CV 1 OR { 2375} (( segid " " and resid 1838 and name HG )) (( segid " " and resid 1837 and name HE22)) OR { 2375} (( segid " " and resid 1902 and name HG3 )) ( segid " " and resid 1853 and name HE% ) ASSI { 2399} (( segid " " and resid 1882 and name HA )) ( segid " " and resid 1882 and name HD2%) 2.100 0.500 0.500 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.10506E-01 ppm1 3.963 ppm2 0.890 CV 1 OR { 2399} (( segid " " and resid 1896 and name HA )) ( segid " " and resid 1896 and name HD2%) ASSI { 2409} (( segid " " and resid 1882 and name HA )) (( segid " " and resid 1882 and name HB2 )) 2.800 1.000 1.000 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.36910E-02 ppm1 3.965 ppm2 1.281 CV 1 OR { 2409} (( segid " " and resid 1882 and name HA )) (( segid " " and resid 1885 and name HB3 )) ASSI { 2414} ( segid " " and resid 1896 and name HD1%) (( segid " " and resid 1896 and name HG )) 2.100 0.600 0.600 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.12887E-01 ppm1 0.856 ppm2 1.378 CV 1 OR { 2414} ( segid " " and resid 1896 and name HD1%) ( segid " " and resid 1861 and name HB% ) ASSI { 2415} ( segid " " and resid 1896 and name HD2%) (( segid " " and resid 1896 and name HG )) 2.100 0.500 0.500 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.12779E-01 ppm1 0.891 ppm2 1.379 CV 1 OR { 2415} ( segid " " and resid 1896 and name HD2%) ( segid " " and resid 1861 and name HB% ) ASSI { 2476} (( segid " " and resid 1901 and name HE2 )) (( segid " " and resid 1901 and name HG2 )) 2.700 0.900 0.900 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.33162E-02 ppm1 2.959 ppm2 1.540 CV 1 OR { 2476} (( segid " " and resid 1874 and name HE3 )) (( segid " " and resid 1874 and name HD3 )) OR { 2476} (( segid " " and resid 1901 and name HE3 )) (( segid " " and resid 1901 and name HG2 )) ASSI { 2504} (( segid " " and resid 1898 and name HB3 )) (( segid " " and resid 1898 and name HA )) 2.300 0.600 0.600 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.11013E-01 ppm1 3.995 ppm2 4.156 CV 1 OR { 2504} (( segid " " and resid 1898 and name HB2 )) (( segid " " and resid 1898 and name HA )) OR { 2504} (( segid " " and resid 1830 and name HB3 )) (( segid " " and resid 1830 and name HA )) ASSI { 2507} (( segid " " and resid 1898 and name HB2 )) (( segid " " and resid 1898 and name H )) 2.300 0.700 0.700 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.77058E-02 ppm1 3.995 ppm2 7.852 CV 1 OR { 2507} (( segid " " and resid 1898 and name HB3 )) (( segid " " and resid 1898 and name H )) OR { 2507} (( segid " " and resid 1830 and name HB2 )) (( segid " " and resid 1830 and name H )) ASSI { 2514} (( segid " " and resid 1897 and name HA )) (( segid " " and resid 1898 and name H )) 2.900 1.000 1.000 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.21768E-02 ppm1 3.684 ppm2 7.845 CV 1 OR { 2514} (( segid " " and resid 1897 and name HA )) (( segid " " and resid 1900 and name H )) ASSI { 2524} (( segid " " and resid 1897 and name HA )) (( segid " " and resid 1896 and name HB3 )) 3.500 1.600 1.600 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.80353E-03 ppm1 3.684 ppm2 1.788 CV 1 OR { 2524} (( segid " " and resid 1897 and name HA )) ( segid " " and resid 1857 and name HE% ) ASSI { 2555} (( segid " " and resid 1893 and name HB3 )) ( segid " " and resid 1897 and name HB% ) 4.200 2.200 1.800 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.51872E-03 ppm1 2.851 ppm2 0.994 CV 1 OR { 2555} (( segid " " and resid 1893 and name HB3 )) ( segid " " and resid 1923 and name HD2%) ASSI { 2558} (( segid " " and resid 1893 and name HB2 )) ( segid " " and resid 1923 and name HD1%) 3.700 1.700 1.700 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.70763E-03 ppm1 3.063 ppm2 1.006 CV 1 OR { 2558} (( segid " " and resid 1893 and name HB2 )) ( segid " " and resid 1889 and name HD1%) ASSI { 2569} (( segid " " and resid 1893 and name HB2 )) (( segid " " and resid 1864 and name HA )) 3.800 3.800 2.200 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.46475E-03 ppm1 3.062 ppm2 3.900 CV 1 OR { 2569} (( segid " " and resid 1893 and name HB2 )) (( segid " " and resid 1861 and name HA )) ASSI { 2577} (( segid " " and resid 1893 and name HB3 )) ( segid " " and resid 1893 and name HD% ) 2.600 0.900 0.900 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.35411E-02 ppm1 2.848 ppm2 6.788 CV 1 OR { 2577} (( segid " " and resid 1836 and name HB2 )) (( segid " " and resid 1836 and name HD22)) ASSI { 2599} (( segid " " and resid 1892 and name HB2 )) (( segid " " and resid 1864 and name HG13)) 4.500 2.500 1.500 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 2.342 ppm2 2.024 CV 1 OR { 2599} (( segid " " and resid 1852 and name HB2 )) (( segid " " and resid 1851 and name HB )) ASSI { 2631} (( segid " " and resid 1891 and name HB3 )) (( segid " " and resid 1891 and name HA )) 2.400 0.700 0.700 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.87556E-02 ppm1 3.957 ppm2 4.165 CV 1 OR { 2631} (( segid " " and resid 1830 and name HB3 )) (( segid " " and resid 1830 and name HA )) ASSI { 2651} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1937 and name H )) 4.000 2.000 2.000 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.96850E-03 ppm1 0.950 ppm2 8.210 CV 1 OR { 2651} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1935 and name H )) ASSI { 2658} (( segid " " and resid 1889 and name HB2 )) (( segid " " and resid 1889 and name HA )) 2.800 1.000 1.000 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.17031E-02 ppm1 1.593 ppm2 4.281 CV 1 OR { 2658} (( segid " " and resid 1889 and name HB2 )) (( segid " " and resid 1867 and name HB )) ASSI { 2663} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1934 and name HA )) 2.200 0.600 0.600 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.89442E-02 ppm1 0.948 ppm2 3.925 CV 1 OR { 2663} ( segid " " and resid 1882 and name HD1%) (( segid " " and resid 1879 and name HA )) ASSI { 2670} (( segid " " and resid 1889 and name HA )) (( segid " " and resid 1864 and name HB )) 3.600 1.600 1.600 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.83353E-03 ppm1 4.285 ppm2 2.237 CV 1 OR { 2670} (( segid " " and resid 1889 and name HA )) (( segid " " and resid 1888 and name HB3 )) ASSI { 2671} (( segid " " and resid 1889 and name HB2 )) (( segid " " and resid 1888 and name HB3 )) 4.600 2.700 1.400 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.40178E-03 ppm1 1.592 ppm2 2.233 CV 1 OR { 2671} (( segid " " and resid 1889 and name HB2 )) (( segid " " and resid 1864 and name HB )) ASSI { 2672} (( segid " " and resid 1889 and name HB3 )) (( segid " " and resid 1888 and name HB3 )) 4.600 2.600 1.400 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.65067E-03 ppm1 1.955 ppm2 2.226 CV 1 OR { 2672} (( segid " " and resid 1889 and name HB3 )) (( segid " " and resid 1864 and name HB )) ASSI { 2673} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1927 and name HB2 )) 3.700 1.700 1.700 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.83655E-03 ppm1 1.012 ppm2 2.844 CV 1 OR { 2673} ( segid " " and resid 1889 and name HD1%) (( segid " " and resid 1893 and name HB3 )) ASSI { 2684} (( segid " " and resid 1930 and name HB2 )) ( segid " " and resid 1871 and name HE% ) 3.500 1.500 1.500 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.11484E-02 ppm1 1.961 ppm2 1.807 CV 1 OR { 2684} (( segid " " and resid 1882 and name HB3 )) ( segid " " and resid 1871 and name HE% ) OR { 2684} (( segid " " and resid 1889 and name HB3 )) ( segid " " and resid 1871 and name HE% ) ASSI { 2690} (( segid " " and resid 1889 and name HB2 )) ( segid " " and resid 1930 and name HD1%) 4.000 2.000 2.000 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.86352E-03 ppm1 1.590 ppm2 0.940 CV 1 OR { 2690} (( segid " " and resid 1889 and name HB2 )) ( segid " " and resid 1868 and name HG1%) ASSI { 2698} ( segid " " and resid 1889 and name HD2%) ( segid " " and resid 1889 and name HD1%) 2.100 0.600 0.600 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.10914E-01 ppm1 0.856 ppm2 1.008 CV 1 OR { 2698} ( segid " " and resid 1889 and name HD2%) ( segid " " and resid 1931 and name HG1%) ASSI { 2718} (( segid " " and resid 1888 and name HB3 )) (( segid " " and resid 1889 and name HA )) 3.900 1.900 1.900 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.80958E-03 ppm1 2.231 ppm2 4.273 CV 1 OR { 2718} (( segid " " and resid 1888 and name HB3 )) (( segid " " and resid 1867 and name HB )) ASSI { 2719} (( segid " " and resid 1888 and name HG2 )) (( segid " " and resid 1889 and name HA )) 3.300 1.400 1.400 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.14542E-02 ppm1 2.375 ppm2 4.285 CV 1 OR { 2719} (( segid " " and resid 1888 and name HG2 )) (( segid " " and resid 1867 and name HB )) OR { 2719} (( segid " " and resid 1888 and name HG3 )) (( segid " " and resid 1867 and name HB )) ASSI { 2739} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1887 and name HD22)) 4.500 2.600 1.500 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.50073E-03 ppm1 2.755 ppm2 6.843 CV 1 OR { 2739} (( segid " " and resid 1972 and name HB3 )) (( segid " " and resid 1972 and name HD22)) ASSI { 2746} (( segid " " and resid 1972 and name HB3 )) (( segid " " and resid 1971 and name HA2 )) 4.600 2.700 1.400 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.37480E-03 ppm1 2.756 ppm2 3.928 CV 1 OR { 2746} (( segid " " and resid 1887 and name HB2 )) (( segid " " and resid 1888 and name HA )) ASSI { 2815} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1868 and name HA )) 2.300 0.700 0.700 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.85992E-02 ppm1 0.932 ppm2 3.434 CV 1 OR { 2815} ( segid " " and resid 1828 and name HG1%) (( segid " " and resid 1828 and name HA )) ASSI { 2828} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1870 and name HG2 )) 2.900 2.900 3.100 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.27855E-02 ppm1 0.755 ppm2 2.336 CV 1 OR { 2828} ( segid " " and resid 1885 and name HD1%) (( segid " " and resid 1881 and name HB2 )) ASSI { 2845} (( segid " " and resid 1882 and name HB2 )) ( segid " " and resid 1882 and name HD1%) 2.400 0.700 0.700 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.41378E-02 ppm1 1.279 ppm2 0.937 CV 1 OR { 2845} (( segid " " and resid 1885 and name HB3 )) ( segid " " and resid 1885 and name HD2%) ASSI { 2868} (( segid " " and resid 1833 and name HB3 )) (( segid " " and resid 1833 and name HG3 )) 2.500 0.800 0.800 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.67165E-02 ppm1 2.131 ppm2 2.371 CV 1 OR { 2868} (( segid " " and resid 1833 and name HB2 )) (( segid " " and resid 1833 and name HG3 )) OR { 2868} (( segid " " and resid 1884 and name HG2 )) (( segid " " and resid 1884 and name HB3 )) ASSI { 2906} (( segid " " and resid 1883 and name HA2 )) ( segid " " and resid 1824 and name HG2%) 3.800 1.800 1.800 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.51872E-03 ppm1 3.716 ppm2 0.935 CV 1 OR { 2906} (( segid " " and resid 1883 and name HA2 )) ( segid " " and resid 1823 and name HG2%) ASSI { 2925} ( segid " " and resid 1930 and name HD2%) (( segid " " and resid 1871 and name HB2 )) 3.300 1.300 1.300 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.22098E-02 ppm1 0.895 ppm2 2.424 CV 1 OR { 2925} ( segid " " and resid 1882 and name HD2%) (( segid " " and resid 1871 and name HB2 )) ASSI { 2941} (( segid " " and resid 1882 and name HG )) ( segid " " and resid 1885 and name HD1%) 4.200 2.200 1.800 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.53971E-03 ppm1 1.707 ppm2 0.757 CV 1 OR { 2941} (( segid " " and resid 1882 and name HG )) ( segid " " and resid 1950 and name HD2%) ASSI { 2943} ( segid " " and resid 1882 and name HD2%) ( segid " " and resid 1950 and name HD2%) 2.200 0.600 0.600 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.95679E-02 ppm1 0.900 ppm2 0.758 CV 1 OR { 2943} ( segid " " and resid 1882 and name HD2%) ( segid " " and resid 1885 and name HD1%) OR { 2943} ( segid " " and resid 1930 and name HD2%) ( segid " " and resid 1950 and name HD2%) ASSI { 2952} (( segid " " and resid 1881 and name HA )) (( segid " " and resid 1874 and name HB3 )) 4.600 2.600 1.400 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.46775E-03 ppm1 4.270 ppm2 1.705 CV 1 OR { 2952} (( segid " " and resid 1881 and name HA )) (( segid " " and resid 1882 and name HG )) ASSI { 2985} (( segid " " and resid 1910 and name HG2 )) (( segid " " and resid 1910 and name HB3 )) 1.900 0.400 0.400 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.29004E-01 ppm1 2.279 ppm2 2.005 CV 1 OR { 2985} (( segid " " and resid 1959 and name HG2 )) (( segid " " and resid 1959 and name HB3 )) OR { 2985} (( segid " " and resid 1910 and name HG2 )) (( segid " " and resid 1910 and name HB2 )) OR { 2985} (( segid " " and resid 1910 and name HG3 )) (( segid " " and resid 1910 and name HB3 )) ASSI { 2998} (( segid " " and resid 1969 and name HB2 )) (( segid " " and resid 1969 and name H )) 2.300 0.700 0.700 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.55710E-02 ppm1 2.118 ppm2 7.777 CV 1 OR { 2998} (( segid " " and resid 1833 and name HB3 )) (( segid " " and resid 1834 and name H )) ASSI { 3002} (( segid " " and resid 1958 and name HA )) ( segid " " and resid 1868 and name HG2%) 3.400 1.400 1.400 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.22817E-02 ppm1 3.910 ppm2 0.917 CV 1 OR { 3002} (( segid " " and resid 1958 and name HA )) ( segid " " and resid 1961 and name HG1%) ASSI { 3010} (( segid " " and resid 1878 and name HB2 )) (( segid " " and resid 1874 and name HD3 )) 3.200 1.300 1.300 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 3.906 ppm2 1.557 CV 1 OR { 3010} (( segid " " and resid 1958 and name HA )) ( segid " " and resid 1865 and name HB% ) ASSI { 3051} ( segid " " and resid 1877 and name HG2%) (( segid " " and resid 1877 and name HB )) 1.900 0.500 0.500 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.27270E-01 ppm1 1.149 ppm2 4.171 CV 1 OR { 3051} ( segid " " and resid 1856 and name HG2%) (( segid " " and resid 1856 and name HB )) ASSI { 3054} (( segid " " and resid 1877 and name HA )) (( segid " " and resid 1878 and name HA )) 3.600 1.700 1.700 peak 3054 spectrum 1 weight 0.10000E+01 volume 0.78860E-03 ppm1 4.422 ppm2 4.888 CV 1 OR { 3054} (( segid " " and resid 1846 and name HA )) (( segid " " and resid 1845 and name HA )) ASSI { 3095} ( segid " " and resid 1872 and name HG2%) ( segid " " and resid 1872 and name HG1%) 1.900 0.400 0.400 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.28407E-01 ppm1 0.843 ppm2 0.937 CV 1 OR { 3095} ( segid " " and resid 1828 and name HG2%) ( segid " " and resid 1828 and name HG1%) OR { 3095} ( segid " " and resid 1828 and name HG2%) ( segid " " and resid 1931 and name HG2%) ASSI { 3110} ( segid " " and resid 1858 and name HG2%) (( segid " " and resid 1859 and name HA )) 2.400 0.700 0.700 peak 3110 spectrum 1 weight 0.10000E+01 volume 0.85097E-02 ppm1 0.846 ppm2 3.898 CV 1 OR { 3110} ( segid " " and resid 1964 and name HG1%) (( segid " " and resid 1965 and name HA )) ASSI { 3122} (( segid " " and resid 1869 and name HB3 )) ( segid " " and resid 1866 and name HG2%) 3.700 1.700 1.700 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.20659E-02 ppm1 2.197 ppm2 0.925 CV 1 OR { 3122} (( segid " " and resid 1869 and name HB2 )) ( segid " " and resid 1872 and name HG1%) OR { 3122} (( segid " " and resid 1869 and name HB2 )) ( segid " " and resid 1866 and name HG2%) ASSI { 3153} (( segid " " and resid 1840 and name HB2 )) (( segid " " and resid 1841 and name H )) 3.100 1.200 1.200 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.25037E-02 ppm1 2.054 ppm2 8.368 CV 1 OR { 3153} (( segid " " and resid 1828 and name HB )) (( segid " " and resid 1829 and name H )) ASSI { 3171} (( segid " " and resid 1868 and name HB )) (( segid " " and resid 1868 and name HA )) 2.600 0.900 0.900 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.27495E-02 ppm1 2.071 ppm2 3.436 CV 1 OR { 3171} (( segid " " and resid 1828 and name HB )) (( segid " " and resid 1828 and name HA )) ASSI { 3177} ( segid " " and resid 1868 and name HG2%) (( segid " " and resid 1868 and name HB )) 2.100 0.500 0.500 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.10893E-01 ppm1 0.908 ppm2 2.073 CV 1 OR { 3177} ( segid " " and resid 1828 and name HG1%) (( segid " " and resid 1828 and name HB )) ASSI { 3184} (( segid " " and resid 1868 and name HB )) ( segid " " and resid 1868 and name HG1%) 2.000 0.500 0.500 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.13121E-01 ppm1 2.068 ppm2 0.931 CV 1 OR { 3184} (( segid " " and resid 1828 and name HB )) ( segid " " and resid 1828 and name HG1%) ASSI { 3187} (( segid " " and resid 1961 and name HA )) ( segid " " and resid 1961 and name HG2%) 2.100 0.600 0.600 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.13511E-01 ppm1 3.478 ppm2 1.007 CV 1 OR { 3187} (( segid " " and resid 1961 and name HA )) ( segid " " and resid 1923 and name HD1%) ASSI { 3188} (( segid " " and resid 1957 and name HA )) ( segid " " and resid 1957 and name HG2%) 2.100 0.600 0.600 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.16356E-01 ppm1 3.441 ppm2 0.931 CV 1 OR { 3188} (( segid " " and resid 1868 and name HA )) ( segid " " and resid 1868 and name HG1%) ASSI { 3192} (( segid " " and resid 1867 and name HA )) ( segid " " and resid 1885 and name HD2%) 2.800 1.000 1.000 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.32802E-02 ppm1 3.796 ppm2 0.933 CV 1 OR { 3192} (( segid " " and resid 1867 and name HA )) ( segid " " and resid 1866 and name HG2%) ASSI { 3211} (( segid " " and resid 1866 and name HA )) (( segid " " and resid 1869 and name HB3 )) 2.200 0.600 0.600 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.60087E-02 ppm1 3.670 ppm2 2.194 CV 1 OR { 3211} (( segid " " and resid 1866 and name HA )) (( segid " " and resid 1866 and name HB )) ASSI { 3222} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1867 and name HB )) 2.200 0.600 0.600 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.88000E-02 ppm1 1.184 ppm2 4.278 CV 1 OR { 3222} ( segid " " and resid 1867 and name HG2%) (( segid " " and resid 1889 and name HA )) ASSI { 3240} (( segid " " and resid 1824 and name HB )) ( segid " " and resid 1824 and name HG2%) 2.100 0.600 0.600 peak 3240 spectrum 1 weight 0.10000E+01 volume 0.12554E-01 ppm1 2.184 ppm2 0.931 CV 1 OR { 3240} (( segid " " and resid 1866 and name HB )) ( segid " " and resid 1866 and name HG2%) ASSI { 3252} ( segid " " and resid 1946 and name HG2%) (( segid " " and resid 1946 and name HB )) 2.100 0.500 0.500 peak 3252 spectrum 1 weight 0.10000E+01 volume 0.13214E-01 ppm1 1.134 ppm2 4.057 CV 1 OR { 3252} ( segid " " and resid 1946 and name HG2%) (( segid " " and resid 1937 and name HA )) ASSI { 3253} ( segid " " and resid 1866 and name HG1%) (( segid " " and resid 1864 and name HA )) 3.500 1.500 1.500 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.16401E-02 ppm1 1.053 ppm2 3.901 CV 1 OR { 3253} ( segid " " and resid 1866 and name HG1%) (( segid " " and resid 1865 and name HA )) ASSI { 3266} (( segid " " and resid 1886 and name HA )) (( segid " " and resid 1886 and name H )) 2.900 1.000 1.000 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.21228E-02 ppm1 3.890 ppm2 8.458 CV 1 OR { 3266} (( segid " " and resid 1865 and name HA )) (( segid " " and resid 1868 and name H )) ASSI { 3277} ( segid " " and resid 1865 and name HB% ) (( segid " " and resid 1866 and name HB )) 3.100 1.200 1.200 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.19669E-02 ppm1 1.560 ppm2 2.204 CV 1 OR { 3277} ( segid " " and resid 1865 and name HB% ) (( segid " " and resid 1869 and name HB3 )) ASSI { 3311} (( segid " " and resid 1864 and name HG12)) (( segid " " and resid 1861 and name HA )) 3.100 1.200 1.200 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 1.093 ppm2 3.906 CV 1 OR { 3311} (( segid " " and resid 1864 and name HG12)) (( segid " " and resid 1864 and name HA )) OR { 3311} (( segid " " and resid 1864 and name HG12)) (( segid " " and resid 1865 and name HA )) ASSI { 3313} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1861 and name HA )) 2.400 0.700 0.700 peak 3313 spectrum 1 weight 0.10000E+01 volume 0.69772E-02 ppm1 0.815 ppm2 3.907 CV 1 OR { 3313} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1864 and name HA )) ASSI { 3316} (( segid " " and resid 1864 and name HA )) (( segid " " and resid 1867 and name HB )) 2.800 1.000 1.000 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.19939E-02 ppm1 3.909 ppm2 4.279 CV 1 OR { 3316} (( segid " " and resid 1864 and name HA )) (( segid " " and resid 1889 and name HA )) ASSI { 3340} ( segid " " and resid 1864 and name HD1%) (( segid " " and resid 1889 and name HG )) 3.300 1.400 1.400 peak 3340 spectrum 1 weight 0.10000E+01 volume 0.23657E-02 ppm1 0.719 ppm2 1.546 CV 1 OR { 3340} ( segid " " and resid 1864 and name HD1%) ( segid " " and resid 1865 and name HB% ) ASSI { 3343} ( segid " " and resid 1864 and name HG2%) (( segid " " and resid 1896 and name HG )) 2.900 2.900 3.100 peak 3343 spectrum 1 weight 0.10000E+01 volume 0.38529E-02 ppm1 0.815 ppm2 1.375 CV 1 OR { 3343} ( segid " " and resid 1864 and name HG2%) ( segid " " and resid 1861 and name HB% ) ASSI { 3346} ( segid " " and resid 1864 and name HG2%) ( segid " " and resid 1923 and name HD1%) 2.800 1.000 1.000 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.81673E-02 ppm1 0.814 ppm2 1.012 CV 1 OR { 3346} ( segid " " and resid 1864 and name HG2%) ( segid " " and resid 1889 and name HD1%) OR { 3346} ( segid " " and resid 1864 and name HG2%) ( segid " " and resid 1961 and name HG2%) ASSI { 3348} ( segid " " and resid 1864 and name HD1%) ( segid " " and resid 1961 and name HG2%) 1.800 0.400 0.400 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.22167E-01 ppm1 0.720 ppm2 1.009 CV 1 OR { 3348} ( segid " " and resid 1864 and name HD1%) ( segid " " and resid 1889 and name HD1%) ASSI { 3368} (( segid " " and resid 1929 and name HA )) ( segid " " and resid 1929 and name HB% ) 2.000 0.500 0.500 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.20895E-01 ppm1 4.120 ppm2 1.511 CV 1 OR { 3368} (( segid " " and resid 1936 and name HA )) ( segid " " and resid 1936 and name HB% ) OR { 3368} (( segid " " and resid 1863 and name HA )) ( segid " " and resid 1863 and name HB% ) ASSI { 3387} ( segid " " and resid 1861 and name HB% ) ( segid " " and resid 1923 and name HD1%) 2.800 1.000 1.000 peak 3387 spectrum 1 weight 0.10000E+01 volume 0.45665E-02 ppm1 1.379 ppm2 1.011 CV 1 OR { 3387} ( segid " " and resid 1861 and name HB% ) ( segid " " and resid 1961 and name HG2%) OR { 3387} ( segid " " and resid 1861 and name HB% ) ( segid " " and resid 1964 and name HG2%) ASSI { 3388} ( segid " " and resid 1861 and name HB% ) ( segid " " and resid 1965 and name HD2%) 1.900 0.500 0.500 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.16791E-01 ppm1 1.379 ppm2 0.920 CV 1 OR { 3388} ( segid " " and resid 1861 and name HB% ) ( segid " " and resid 1961 and name HG1%) ASSI { 3389} ( segid " " and resid 1861 and name HB% ) ( segid " " and resid 1964 and name HG1%) 2.400 0.700 0.700 peak 3389 spectrum 1 weight 0.10000E+01 volume 0.11727E-01 ppm1 1.378 ppm2 0.839 CV 1 OR { 3389} ( segid " " and resid 1861 and name HB% ) ( segid " " and resid 1965 and name HD1%) ASSI { 3408} (( segid " " and resid 1860 and name HB )) (( segid " " and resid 1896 and name HG )) 3.500 1.500 1.500 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.83057E-03 ppm1 4.094 ppm2 1.378 CV 1 OR { 3408} (( segid " " and resid 1860 and name HB )) ( segid " " and resid 1861 and name HB% ) ASSI { 3441} ( segid " " and resid 1858 and name HG1%) ( segid " " and resid 1965 and name HD2%) 2.400 0.700 0.700 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.11535E-01 ppm1 1.022 ppm2 0.932 CV 1 OR { 3441} ( segid " " and resid 1858 and name HG1%) ( segid " " and resid 1968 and name HD2%) ASSI { 3469} (( segid " " and resid 1856 and name HB )) (( segid " " and resid 1853 and name H )) 3.700 1.700 1.700 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.61767E-03 ppm1 4.174 ppm2 7.194 CV 1 OR { 3469} (( segid " " and resid 1856 and name HB )) (( segid " " and resid 1859 and name H )) ASSI { 3500} (( segid " " and resid 1911 and name HB3 )) ( segid " " and resid 1914 and name HB% ) 4.100 2.100 1.900 peak 3500 spectrum 1 weight 0.10000E+01 volume 0.12413E-02 ppm1 2.061 ppm2 1.407 CV 1 OR { 3500} (( segid " " and resid 1854 and name HB3 )) (( segid " " and resid 1968 and name HB3 )) ASSI { 3513} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1855 and name HA )) 3.100 1.200 1.200 peak 3513 spectrum 1 weight 0.10000E+01 volume 0.17780E-02 ppm1 2.064 ppm2 3.733 CV 1 OR { 3513} (( segid " " and resid 1854 and name HG2 )) (( segid " " and resid 1851 and name HA )) ASSI { 3514} (( segid " " and resid 1854 and name HG3 )) (( segid " " and resid 1855 and name HA )) 3.900 1.900 1.900 peak 3514 spectrum 1 weight 0.10000E+01 volume 0.14212E-02 ppm1 1.934 ppm2 3.737 CV 1 OR { 3514} (( segid " " and resid 1854 and name HG3 )) (( segid " " and resid 1851 and name HA )) ASSI { 3550} (( segid " " and resid 1853 and name HA )) (( segid " " and resid 1854 and name H )) 3.300 1.400 1.400 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 4.106 ppm2 8.843 CV 1 OR { 3550} (( segid " " and resid 1853 and name HA )) (( segid " " and resid 1857 and name H )) ASSI { 3559} (( segid " " and resid 1852 and name HB3 )) (( segid " " and resid 1848 and name HA2 )) 4.300 2.300 1.700 peak 3559 spectrum 1 weight 0.10000E+01 volume 0.64468E-03 ppm1 2.538 ppm2 4.074 CV 1 OR { 3559} (( segid " " and resid 1852 and name HB3 )) (( segid " " and resid 1849 and name HB2 )) ASSI { 3571} (( segid " " and resid 1874 and name HA )) (( segid " " and resid 1875 and name H )) 3.200 1.300 1.300 peak 3571 spectrum 1 weight 0.10000E+01 volume 0.12083E-02 ppm1 4.229 ppm2 8.126 CV 1 OR { 3571} (( segid " " and resid 1852 and name HA )) (( segid " " and resid 1855 and name H )) ASSI { 3580} (( segid " " and resid 1840 and name HB2 )) (( segid " " and resid 1840 and name H )) 2.700 0.900 0.900 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.28425E-02 ppm1 2.027 ppm2 7.335 CV 1 OR { 3580} (( segid " " and resid 1851 and name HB )) (( segid " " and resid 1852 and name H )) ASSI { 3586} (( segid " " and resid 1905 and name HA )) ( segid " " and resid 1905 and name HG1%) 2.600 0.900 0.900 peak 3586 spectrum 1 weight 0.10000E+01 volume 0.63416E-02 ppm1 3.736 ppm2 1.033 CV 1 OR { 3586} (( segid " " and resid 1851 and name HA )) ( segid " " and resid 1851 and name HG1%) ASSI { 3616} (( segid " " and resid 1850 and name HA )) (( segid " " and resid 1853 and name HB3 )) 4.200 2.200 1.800 peak 3616 spectrum 1 weight 0.10000E+01 volume 0.82155E-03 ppm1 4.166 ppm2 2.534 CV 1 OR { 3616} (( segid " " and resid 1850 and name HA )) (( segid " " and resid 1852 and name HB3 )) ASSI { 3667} (( segid " " and resid 1847 and name HA )) (( segid " " and resid 1847 and name HB3 )) 2.600 0.800 0.800 peak 3667 spectrum 1 weight 0.10000E+01 volume 0.46025E-02 ppm1 4.364 ppm2 1.895 CV 1 OR { 3667} (( segid " " and resid 1840 and name HA )) (( segid " " and resid 1840 and name HB3 )) ASSI { 3686} (( segid " " and resid 1870 and name HG3 )) (( segid " " and resid 1870 and name HA )) 2.400 0.700 0.700 peak 3686 spectrum 1 weight 0.10000E+01 volume 0.64105E-02 ppm1 2.248 ppm2 4.081 CV 1 OR { 3686} (( segid " " and resid 1922 and name HG3 )) (( segid " " and resid 1922 and name HA )) ASSI { 3702} (( segid " " and resid 1842 and name HB2 )) (( segid " " and resid 1842 and name HB3 )) 1.700 0.300 0.500 peak 3702 spectrum 1 weight 0.10000E+01 volume 0.24404E-01 ppm1 2.151 ppm2 1.939 CV 1 OR { 3702} (( segid " " and resid 1846 and name HB3 )) (( segid " " and resid 1846 and name HG3 )) ASSI { 3812} (( segid " " and resid 1879 and name HB3 )) (( segid " " and resid 1879 and name HD2 )) 3.300 1.400 1.400 peak 3812 spectrum 1 weight 0.10000E+01 volume 0.31993E-02 ppm1 1.898 ppm2 3.747 CV 1 OR { 3812} (( segid " " and resid 1879 and name HB3 )) (( segid " " and resid 1938 and name HA )) ASSI { 3857} (( segid " " and resid 1837 and name HG2 )) (( segid " " and resid 1837 and name HB2 )) 2.500 0.800 0.800 peak 3857 spectrum 1 weight 0.10000E+01 volume 0.91237E-02 ppm1 2.459 ppm2 2.076 CV 1 OR { 3857} (( segid " " and resid 1899 and name HG3 )) (( segid " " and resid 1899 and name HB3 )) ASSI { 3870} (( segid " " and resid 1837 and name HG3 )) (( segid " " and resid 1838 and name HA )) 3.000 1.100 1.100 peak 3870 spectrum 1 weight 0.10000E+01 volume 0.32862E-02 ppm1 2.570 ppm2 4.117 CV 1 OR { 3870} (( segid " " and resid 1837 and name HG3 )) (( segid " " and resid 1834 and name HA )) OR { 3870} (( segid " " and resid 1837 and name HG3 )) (( segid " " and resid 1837 and name HA )) ASSI { 3872} (( segid " " and resid 1837 and name HG2 )) (( segid " " and resid 1834 and name HA )) 2.100 0.600 0.600 peak 3872 spectrum 1 weight 0.10000E+01 volume 0.76009E-02 ppm1 2.462 ppm2 4.120 CV 1 OR { 3872} (( segid " " and resid 1899 and name HG3 )) (( segid " " and resid 1899 and name HA )) ASSI { 3877} (( segid " " and resid 1899 and name HG2 )) ( segid " " and resid 1853 and name HD% ) 3.500 1.600 1.600 peak 3877 spectrum 1 weight 0.10000E+01 volume 0.69263E-03 ppm1 2.429 ppm2 6.953 CV 1 OR { 3877} (( segid " " and resid 1969 and name HG2 )) (( segid " " and resid 1854 and name HE22)) ASSI { 3895} (( segid " " and resid 1893 and name HB3 )) (( segid " " and resid 1927 and name HB3 )) 4.000 2.000 2.000 peak 3895 spectrum 1 weight 0.10000E+01 volume 0.60867E-03 ppm1 2.848 ppm2 2.248 CV 1 OR { 3895} (( segid " " and resid 1836 and name HB2 )) (( segid " " and resid 1837 and name HB3 )) OR { 3895} (( segid " " and resid 1836 and name HB3 )) (( segid " " and resid 1837 and name HB3 )) ASSI { 3929} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1921 and name HA )) 3.200 1.300 1.300 peak 3929 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 0.108 ppm2 3.852 CV 1 OR { 3929} ( segid " " and resid 1835 and name HD1%) (( segid " " and resid 1928 and name HB2 )) ASSI { 4004} (( segid " " and resid 1873 and name HB )) (( segid " " and resid 1870 and name HG3 )) 3.700 1.700 1.700 peak 4004 spectrum 1 weight 0.10000E+01 volume 0.89654E-03 ppm1 4.206 ppm2 2.254 CV 1 OR { 4004} (( segid " " and resid 1873 and name HB )) (( segid " " and resid 1872 and name HB )) ASSI { 4011} ( segid " " and resid 1932 and name HG2%) (( segid " " and resid 1932 and name HB )) 2.000 0.500 0.500 peak 4011 spectrum 1 weight 0.10000E+01 volume 0.19190E-01 ppm1 1.181 ppm2 4.331 CV 1 OR { 4011} ( segid " " and resid 1832 and name HG2%) (( segid " " and resid 1832 and name HB )) ASSI { 4017} ( segid " " and resid 1832 and name HG2%) (( segid " " and resid 1836 and name HD21)) 2.700 0.900 0.900 peak 4017 spectrum 1 weight 0.10000E+01 volume 0.46475E-02 ppm1 1.179 ppm2 7.468 CV 1 OR { 4017} ( segid " " and resid 1855 and name HG2%) (( segid " " and resid 1856 and name H )) ASSI { 4028} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1835 and name HG12)) 3.300 1.400 1.400 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.30763E-02 ppm1 0.600 ppm2 0.935 CV 1 OR { 4028} ( segid " " and resid 1831 and name HG2%) ( segid " " and resid 1931 and name HG2%) ASSI { 4036} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1924 and name HA2 )) 2.600 0.800 0.800 peak 4036 spectrum 1 weight 0.10000E+01 volume 0.30943E-02 ppm1 0.600 ppm2 2.235 CV 1 OR { 4036} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1927 and name HB3 )) ASSI { 4047} ( segid " " and resid 1831 and name HD1%) ( segid " " and resid 1834 and name HB% ) 4.300 2.300 1.700 peak 4047 spectrum 1 weight 0.10000E+01 volume 0.78557E-03 ppm1 0.646 ppm2 1.590 CV 1 OR { 4047} ( segid " " and resid 1831 and name HD1%) (( segid " " and resid 1889 and name HB2 )) ASSI { 4048} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1927 and name HB2 )) 3.500 1.500 1.500 peak 4048 spectrum 1 weight 0.10000E+01 volume 0.19490E-02 ppm1 0.600 ppm2 2.842 CV 1 OR { 4048} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1893 and name HB3 )) ASSI { 4058} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1834 and name H )) 4.100 2.100 1.900 peak 4058 spectrum 1 weight 0.10000E+01 volume 0.49473E-03 ppm1 0.601 ppm2 7.781 CV 1 OR { 4058} ( segid " " and resid 1831 and name HG2%) (( segid " " and resid 1926 and name H )) ASSI { 4148} ( segid " " and resid 1964 and name HG1%) ( segid " " and resid 1857 and name HE% ) 2.600 0.800 0.800 peak 4148 spectrum 1 weight 0.10000E+01 volume 0.53041E-02 ppm1 0.836 ppm2 1.779 CV 1 OR { 4148} ( segid " " and resid 1964 and name HG1%) (( segid " " and resid 1919 and name HB2 )) ASSI { 4152} (( segid " " and resid 1821 and name HA )) ( segid " " and resid 1821 and name HB% ) 2.300 0.700 0.700 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.93696E-02 ppm1 4.193 ppm2 1.355 CV 1 OR { 4152} (( segid " " and resid 1820 and name HA )) ( segid " " and resid 1820 and name HB% ) ASSI { 4154} (( segid " " and resid 1820 and name HA )) (( segid " " and resid 1821 and name H )) 3.100 1.200 1.200 peak 4154 spectrum 1 weight 0.10000E+01 volume 0.16551E-02 ppm1 4.199 ppm2 8.068 CV 1 OR { 4154} (( segid " " and resid 1821 and name HA )) (( segid " " and resid 1821 and name H )) OR { 4154} (( segid " " and resid 1817 and name HA )) (( segid " " and resid 1818 and name H )) ASSI { 4155} (( segid " " and resid 1820 and name HA )) (( segid " " and resid 1821 and name H )) 3.200 1.300 1.300 peak 4155 spectrum 1 weight 0.10000E+01 volume 0.14392E-02 ppm1 4.182 ppm2 8.074 CV 1 OR { 4155} (( segid " " and resid 1821 and name HA )) (( segid " " and resid 1821 and name H )) ASSI { 4156} (( segid " " and resid 1820 and name HA )) (( segid " " and resid 1821 and name H )) 3.000 1.100 1.100 peak 4156 spectrum 1 weight 0.10000E+01 volume 0.22518E-02 ppm1 4.216 ppm2 8.070 CV 1 OR { 4156} (( segid " " and resid 1818 and name HA )) (( segid " " and resid 1818 and name H )) OR { 4156} (( segid " " and resid 1818 and name HA )) (( segid " " and resid 1819 and name H )) ASSI { 4157} ( segid " " and resid 1818 and name HB% ) (( segid " " and resid 1819 and name H )) 2.500 0.800 0.800 peak 4157 spectrum 1 weight 0.10000E+01 volume 0.70344E-02 ppm1 1.358 ppm2 8.073 CV 1 OR { 4157} ( segid " " and resid 1818 and name HB% ) (( segid " " and resid 1818 and name H )) OR { 4157} ( segid " " and resid 1821 and name HB% ) (( segid " " and resid 1821 and name H )) OR { 4157} ( segid " " and resid 1817 and name HB% ) (( segid " " and resid 1818 and name H )) ASSI { 4158} ( segid " " and resid 1818 and name HB% ) (( segid " " and resid 1818 and name HA )) 2.000 0.500 0.500 peak 4158 spectrum 1 weight 0.10000E+01 volume 0.22467E-01 ppm1 1.356 ppm2 4.205 CV 1 OR { 4158} ( segid " " and resid 1817 and name HB% ) (( segid " " and resid 1817 and name HA )) OR { 4158} ( segid " " and resid 1820 and name HB% ) (( segid " " and resid 1820 and name HA )) ASSI { 4177} (( segid " " and resid 1956 and name HB2 )) (( segid " " and resid 1953 and name HA )) 2.800 1.000 1.000 peak 4177 spectrum 1 weight 0.10000E+01 volume 0.23148E-02 ppm1 2.051 ppm2 4.020 CV 1 OR { 4177} (( segid " " and resid 1831 and name HG13)) (( segid " " and resid 1830 and name HB2 )) ASSI { 4250} (( segid " " and resid 1824 and name HA )) (( segid " " and resid 1824 and name H )) 2.900 1.100 1.100 peak 4250 spectrum 1 weight 0.10000E+01 volume 0.21378E-02 ppm1 3.994 ppm2 8.057 CV 1 OR { 4250} (( segid " " and resid 1823 and name HA )) (( segid " " and resid 1824 and name H )) ASSI { 4252} (( segid " " and resid 1824 and name HA )) ( segid " " and resid 1824 and name HG2%) 2.400 0.700 0.700 peak 4252 spectrum 1 weight 0.10000E+01 volume 0.80778E-02 ppm1 3.995 ppm2 0.928 CV 1 OR { 4252} (( segid " " and resid 1823 and name HA )) ( segid " " and resid 1823 and name HG2%) OR { 4252} (( segid " " and resid 1823 and name HA )) ( segid " " and resid 1823 and name HG1%) ASSI { 4261} (( segid " " and resid 1895 and name HB2 )) (( segid " " and resid 1895 and name HD3 )) 2.800 1.000 1.000 peak 4261 spectrum 1 weight 0.10000E+01 volume 0.26565E-02 ppm1 1.883 ppm2 3.167 CV 1 OR { 4261} (( segid " " and resid 1895 and name HB2 )) (( segid " " and resid 1895 and name HD2 )) OR { 4261} (( segid " " and resid 1956 and name HB3 )) (( segid " " and resid 1956 and name HD3 )) ASSI { 4275} (( segid " " and resid 1855 and name HB )) ( segid " " and resid 1858 and name HG2%) 4.600 2.600 1.400 peak 4275 spectrum 1 weight 0.10000E+01 volume 0.41078E-03 ppm1 4.212 ppm2 0.840 CV 1 OR { 4275} (( segid " " and resid 1873 and name HB )) ( segid " " and resid 1872 and name HG2%) ASSI { 4298} (( segid " " and resid 1959 and name HB3 )) (( segid " " and resid 1959 and name HG2 )) 2.200 0.600 0.600 peak 4298 spectrum 1 weight 0.10000E+01 volume 0.11882E-01 ppm1 2.007 ppm2 2.279 CV 1 OR { 4298} (( segid " " and resid 1910 and name HB3 )) (( segid " " and resid 1910 and name HG3 )) ASSI { 4299} (( segid " " and resid 1870 and name HA )) ( segid " " and resid 1872 and name HG1%) 4.000 2.000 2.000 peak 4299 spectrum 1 weight 0.10000E+01 volume 0.12773E-02 ppm1 4.084 ppm2 0.930 CV 1 OR { 4299} (( segid " " and resid 1870 and name HA )) ( segid " " and resid 1885 and name HD2%) OR { 4299} (( segid " " and resid 1956 and name HA )) ( segid " " and resid 1957 and name HG2%) ASSI { 4332} (( segid " " and resid 1909 and name HA )) (( segid " " and resid 1912 and name HG12)) 4.500 2.500 1.500 peak 4332 spectrum 1 weight 0.10000E+01 volume 0.56969E-03 ppm1 4.611 ppm2 1.141 CV 1 OR { 4332} (( segid " " and resid 1909 and name HA )) ( segid " " and resid 1907 and name HB% ) ASSI { 4346} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1891 and name HA )) 2.400 0.700 0.700 peak 4346 spectrum 1 weight 0.10000E+01 volume 0.77090E-02 ppm1 1.265 ppm2 4.174 CV 1 OR { 4346} ( segid " " and resid 1890 and name HG2%) (( segid " " and resid 1827 and name HA )) ASSI { 4351} (( segid " " and resid 1890 and name HA )) (( segid " " and resid 1831 and name HA )) 5.300 3.500 0.700 peak 4351 spectrum 1 weight 0.10000E+01 volume 0.25786E-03 ppm1 3.543 ppm2 3.807 CV 1 OR { 4351} (( segid " " and resid 1890 and name HA )) (( segid " " and resid 1893 and name HA )) ASSI { 4397} (( segid " " and resid 1874 and name HG3 )) (( segid " " and resid 1870 and name HG2 )) 3.400 1.500 1.500 peak 4397 spectrum 1 weight 0.10000E+01 volume 0.15742E-02 ppm1 1.424 ppm2 2.333 CV 1 OR { 4397} (( segid " " and resid 1874 and name HG2 )) (( segid " " and resid 1870 and name HG2 )) OR { 4397} (( segid " " and resid 1874 and name HG3 )) (( segid " " and resid 1881 and name HB2 )) ASSI { 4399} (( segid " " and resid 1874 and name HE3 )) (( segid " " and resid 1870 and name HG2 )) 4.300 2.300 1.700 peak 4399 spectrum 1 weight 0.10000E+01 volume 0.10614E-02 ppm1 2.958 ppm2 2.333 CV 1 OR { 4399} (( segid " " and resid 1874 and name HE3 )) (( segid " " and resid 1881 and name HB2 )) ASSI { 4400} (( segid " " and resid 1933 and name HE2 )) (( segid " " and resid 1949 and name HG3 )) 3.800 1.800 1.800 peak 4400 spectrum 1 weight 0.10000E+01 volume 0.16161E-02 ppm1 2.891 ppm2 2.325 CV 1 OR { 4400} (( segid " " and resid 1874 and name HE2 )) (( segid " " and resid 1881 and name HG2 )) ASSI { 4429} (( segid " " and resid 1874 and name HB3 )) (( segid " " and resid 1882 and name H )) 4.200 2.200 1.800 peak 4429 spectrum 1 weight 0.10000E+01 volume 0.35381E-03 ppm1 1.692 ppm2 7.830 CV 1 OR { 4429} (( segid " " and resid 1874 and name HB2 )) (( segid " " and resid 1882 and name H )) OR { 4429} (( segid " " and resid 1874 and name HB2 )) (( segid " " and resid 1872 and name H )) ASSI { 4465} (( segid " " and resid 1910 and name HG2 )) (( segid " " and resid 1910 and name HA )) 3.200 1.300 1.300 peak 4465 spectrum 1 weight 0.10000E+01 volume 0.27975E-02 ppm1 2.321 ppm2 4.093 CV 1 OR { 4465} (( segid " " and resid 1870 and name HG2 )) (( segid " " and resid 1870 and name HA )) ASSI { 4475} (( segid " " and resid 1870 and name HG2 )) (( segid " " and resid 1870 and name HG3 )) 1.400 0.200 0.800 peak 4475 spectrum 1 weight 0.10000E+01 volume 0.57356E-01 ppm1 2.340 ppm2 2.256 CV 1 OR { 4475} (( segid " " and resid 1880 and name HG2 )) (( segid " " and resid 1880 and name HG3 )) ASSI { 4478} (( segid " " and resid 1870 and name HB3 )) ( segid " " and resid 1867 and name HG2%) 3.600 1.700 1.700 peak 4478 spectrum 1 weight 0.10000E+01 volume 0.62966E-03 ppm1 2.252 ppm2 1.190 CV 1 OR { 4478} (( segid " " and resid 1870 and name HB3 )) ( segid " " and resid 1873 and name HG2%) ASSI { 4525} (( segid " " and resid 1871 and name HB3 )) ( segid " " and resid 1882 and name HD2%) 2.700 0.900 0.900 peak 4525 spectrum 1 weight 0.10000E+01 volume 0.22188E-02 ppm1 1.842 ppm2 0.902 CV 1 OR { 4525} (( segid " " and resid 1871 and name HB3 )) ( segid " " and resid 1930 and name HD2%) ASSI { 4526} (( segid " " and resid 1871 and name HB2 )) ( segid " " and resid 1868 and name HG2%) 2.900 1.100 1.100 peak 4526 spectrum 1 weight 0.10000E+01 volume 0.22848E-02 ppm1 2.432 ppm2 0.911 CV 1 OR { 4526} (( segid " " and resid 1871 and name HB2 )) ( segid " " and resid 1930 and name HD2%) ASSI { 4533} (( segid " " and resid 1871 and name HB3 )) ( segid " " and resid 1950 and name HD2%) 3.200 1.200 1.200 peak 4533 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 1.841 ppm2 0.755 CV 1 OR { 4533} (( segid " " and resid 1871 and name HB3 )) ( segid " " and resid 1885 and name HD1%) ASSI { 4534} (( segid " " and resid 1871 and name HB2 )) ( segid " " and resid 1950 and name HD2%) 4.300 2.300 1.700 peak 4534 spectrum 1 weight 0.10000E+01 volume 0.63866E-03 ppm1 2.432 ppm2 0.753 CV 1 OR { 4534} (( segid " " and resid 1871 and name HB2 )) ( segid " " and resid 1885 and name HD1%) ASSI { 4535} (( segid " " and resid 1864 and name HG12)) ( segid " " and resid 1923 and name HD1%) 3.000 1.100 1.100 peak 4535 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 1.094 ppm2 1.021 CV 1 OR { 4535} (( segid " " and resid 1864 and name HG12)) ( segid " " and resid 1889 and name HD1%) ASSI { 4559} (( segid " " and resid 1862 and name HB2 )) (( segid " " and resid 1862 and name HA )) 2.900 1.100 1.100 peak 4559 spectrum 1 weight 0.10000E+01 volume 0.30703E-02 ppm1 1.819 ppm2 3.902 CV 1 OR { 4559} (( segid " " and resid 1862 and name HB2 )) (( segid " " and resid 1859 and name HA )) ASSI { 4572} (( segid " " and resid 1862 and name HE3 )) (( segid " " and resid 1862 and name HD2 )) 2.300 0.700 0.700 peak 4572 spectrum 1 weight 0.10000E+01 volume 0.78648E-02 ppm1 2.839 ppm2 1.571 CV 1 OR { 4572} (( segid " " and resid 1933 and name HE3 )) (( segid " " and resid 1933 and name HD3 )) OR { 4572} (( segid " " and resid 1862 and name HE3 )) (( segid " " and resid 1862 and name HD3 )) ASSI { 4579} (( segid " " and resid 1862 and name HD3 )) ( segid " " and resid 1965 and name HD1%) 3.100 1.200 1.200 peak 4579 spectrum 1 weight 0.10000E+01 volume 0.40868E-02 ppm1 1.592 ppm2 0.851 CV 1 OR { 4579} (( segid " " and resid 1862 and name HD2 )) ( segid " " and resid 1858 and name HG2%) OR { 4579} (( segid " " and resid 1862 and name HD2 )) ( segid " " and resid 1965 and name HD1%) ASSI { 4588} (( segid " " and resid 1859 and name HG3 )) ( segid " " and resid 1858 and name HG1%) 4.300 2.300 1.700 peak 4588 spectrum 1 weight 0.10000E+01 volume 0.77959E-03 ppm1 1.753 ppm2 1.012 CV 1 OR { 4588} (( segid " " and resid 1960 and name HD2 )) ( segid " " and resid 1964 and name HG2%) ASSI { 4603} (( segid " " and resid 1857 and name HG3 )) (( segid " " and resid 1853 and name HA )) 4.300 2.300 1.700 peak 4603 spectrum 1 weight 0.10000E+01 volume 0.31183E-03 ppm1 2.873 ppm2 4.111 CV 1 OR { 4603} (( segid " " and resid 1857 and name HG3 )) (( segid " " and resid 1899 and name HA )) ASSI { 4605} (( segid " " and resid 1948 and name HA )) (( segid " " and resid 1951 and name HA )) 4.700 2.800 1.300 peak 4605 spectrum 1 weight 0.10000E+01 volume 0.53371E-03 ppm1 3.897 ppm2 3.451 CV 1 OR { 4605} (( segid " " and resid 1857 and name HA )) (( segid " " and resid 1854 and name HA )) ASSI { 4626} (( segid " " and resid 1857 and name HG3 )) ( segid " " and resid 1900 and name HB% ) 5.300 3.500 0.700 peak 4626 spectrum 1 weight 0.10000E+01 volume 0.23987E-03 ppm1 2.880 ppm2 1.388 CV 1 OR { 4626} (( segid " " and resid 1857 and name HG3 )) (( segid " " and resid 1896 and name HG )) ASSI { 4658} (( segid " " and resid 1921 and name HA )) (( segid " " and resid 1921 and name HE21)) 2.600 0.900 0.900 peak 4658 spectrum 1 weight 0.10000E+01 volume 0.20718E-02 ppm1 3.861 ppm2 7.258 CV 1 OR { 4658} (( segid " " and resid 1928 and name HA )) (( segid " " and resid 1929 and name H )) ASSI { 4732} (( segid " " and resid 1919 and name HB3 )) (( segid " " and resid 1964 and name HA )) 3.400 1.500 1.500 peak 4732 spectrum 1 weight 0.10000E+01 volume 0.77360E-03 ppm1 1.966 ppm2 3.473 CV 1 OR { 4732} (( segid " " and resid 1919 and name HB3 )) (( segid " " and resid 1963 and name HB2 )) ASSI { 4743} (( segid " " and resid 1958 and name HB2 )) (( segid " " and resid 1959 and name HG3 )) 4.000 2.000 2.000 peak 4743 spectrum 1 weight 0.10000E+01 volume 0.59368E-03 ppm1 3.923 ppm2 1.992 CV 1 OR { 4743} (( segid " " and resid 1958 and name HB2 )) (( segid " " and resid 1955 and name HB3 )) ASSI { 4745} (( segid " " and resid 1958 and name HB3 )) (( segid " " and resid 1957 and name HB )) 4.400 2.400 1.600 peak 4745 spectrum 1 weight 0.10000E+01 volume 0.62966E-03 ppm1 3.982 ppm2 2.133 CV 1 OR { 4745} (( segid " " and resid 1958 and name HB3 )) (( segid " " and resid 1959 and name HB2 )) ASSI { 4747} (( segid " " and resid 1962 and name HB3 )) (( segid " " and resid 1961 and name HB )) 4.200 2.200 1.800 peak 4747 spectrum 1 weight 0.10000E+01 volume 0.62067E-03 ppm1 3.988 ppm2 2.356 CV 1 OR { 4747} (( segid " " and resid 1958 and name HB3 )) (( segid " " and resid 1961 and name HB )) ASSI { 4780} (( segid " " and resid 1827 and name HB2 )) ( segid " " and resid 1828 and name HG1%) 4.000 2.000 2.000 peak 4780 spectrum 1 weight 0.10000E+01 volume 0.95048E-03 ppm1 2.198 ppm2 0.938 CV 1 OR { 4780} (( segid " " and resid 1827 and name HB2 )) ( segid " " and resid 1824 and name HG2%) ASSI { 4781} (( segid " " and resid 1827 and name HB3 )) ( segid " " and resid 1828 and name HG1%) 4.200 2.200 1.800 peak 4781 spectrum 1 weight 0.10000E+01 volume 0.87556E-03 ppm1 2.330 ppm2 0.941 CV 1 OR { 4781} (( segid " " and resid 1827 and name HB3 )) ( segid " " and resid 1824 and name HG2%) ASSI { 4800} (( segid " " and resid 1837 and name HG2 )) (( segid " " and resid 1837 and name HE21)) 2.900 1.100 1.100 peak 4800 spectrum 1 weight 0.10000E+01 volume 0.19850E-02 ppm1 2.467 ppm2 7.423 CV 1 OR { 4800} (( segid " " and resid 1833 and name HG2 )) (( segid " " and resid 1833 and name HE22)) ASSI { 4830} (( segid " " and resid 1922 and name HB2 )) (( segid " " and resid 1960 and name HE3 )) 4.100 2.100 1.900 peak 4830 spectrum 1 weight 0.10000E+01 volume 0.14782E-02 ppm1 1.937 ppm2 2.978 CV 1 OR { 4830} (( segid " " and resid 1922 and name HB2 )) (( segid " " and resid 1960 and name HE2 )) OR { 4830} (( segid " " and resid 1922 and name HB2 )) (( segid " " and resid 1919 and name HD3 )) ASSI { 4855} (( segid " " and resid 1874 and name HD3 )) (( segid " " and resid 1881 and name HB3 )) 2.500 0.800 0.800 peak 4855 spectrum 1 weight 0.10000E+01 volume 0.33432E-02 ppm1 1.555 ppm2 1.868 CV 1 OR { 4855} (( segid " " and resid 1895 and name HG3 )) (( segid " " and resid 1895 and name HB2 )) ASSI { 4873} (( segid " " and resid 1919 and name HG3 )) (( segid " " and resid 1919 and name HD2 )) 2.900 1.000 1.000 peak 4873 spectrum 1 weight 0.10000E+01 volume 0.11604E-02 ppm1 1.472 ppm2 3.043 CV 1 OR { 4873} (( segid " " and resid 1919 and name HG3 )) (( segid " " and resid 1963 and name HB3 )) ASSI { 4874} (( segid " " and resid 1919 and name HG3 )) (( segid " " and resid 1964 and name HA )) 3.600 1.600 1.600 peak 4874 spectrum 1 weight 0.10000E+01 volume 0.55470E-03 ppm1 1.470 ppm2 3.472 CV 1 OR { 4874} (( segid " " and resid 1919 and name HG3 )) (( segid " " and resid 1963 and name HB2 )) ASSI { 4914} (( segid " " and resid 1901 and name HE3 )) (( segid " " and resid 1901 and name HD2 )) 2.200 0.600 0.600 peak 4914 spectrum 1 weight 0.10000E+01 volume 0.94990E-02 ppm1 2.980 ppm2 1.722 CV 1 OR { 4914} (( segid " " and resid 1901 and name HE2 )) (( segid " " and resid 1901 and name HD3 )) OR { 4914} (( segid " " and resid 1901 and name HE2 )) (( segid " " and resid 1901 and name HD2 )) OR { 4914} (( segid " " and resid 1901 and name HE3 )) (( segid " " and resid 1901 and name HD3 )) OR { 4914} (( segid " " and resid 1960 and name HE2 )) (( segid " " and resid 1960 and name HD2 )) ASSI { 16} (( segid " " and resid 1881 and name H )) (( segid " " and resid 1874 and name HB3 )) 3.700 1.700 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.10591E-02 ppm1 8.070 ppm2 1.700 CV 1 OR { 16} (( segid " " and resid 1881 and name H )) (( segid " " and resid 1882 and name HG )) ASSI { 59} (( segid " " and resid 1967 and name H )) (( segid " " and resid 1968 and name HB2 )) 4.200 2.200 1.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.75191E-03 ppm1 7.806 ppm2 2.002 CV 1 OR { 59} (( segid " " and resid 1967 and name H )) (( segid " " and resid 1919 and name HG2 )) ASSI { 72} (( segid " " and resid 1951 and name H )) (( segid " " and resid 1950 and name H )) 2.500 0.800 0.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.35836E-02 ppm1 8.063 ppm2 8.389 CV 1 OR { 72} (( segid " " and resid 1966 and name H )) (( segid " " and resid 1965 and name H )) ASSI { 81} (( segid " " and resid 1953 and name H )) (( segid " " and resid 1952 and name HA )) 3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.17200E-02 ppm1 8.388 ppm2 4.152 CV 1 OR { 81} (( segid " " and resid 1965 and name H )) (( segid " " and resid 1962 and name HA )) ASSI { 83} (( segid " " and resid 1951 and name H )) (( segid " " and resid 1948 and name HA )) 3.100 1.200 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 8.066 ppm2 3.898 CV 1 OR { 83} (( segid " " and resid 1966 and name H )) (( segid " " and resid 1965 and name HA )) ASSI { 85} (( segid " " and resid 1965 and name H )) (( segid " " and resid 1961 and name HA )) 3.300 1.300 1.300 peak 85 spectrum 1 weight 0.10000E+01 volume 0.13522E-02 ppm1 8.387 ppm2 3.469 CV 1 OR { 85} (( segid " " and resid 1953 and name H )) (( segid " " and resid 1951 and name HA )) ASSI { 93} (( segid " " and resid 1951 and name H )) (( segid " " and resid 1951 and name HG13)) 2.300 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.45255E-02 ppm1 8.082 ppm2 1.745 CV 1 OR { 93} (( segid " " and resid 1955 and name H )) (( segid " " and resid 1955 and name HG2 )) ASSI { 99} (( segid " " and resid 1965 and name H )) ( segid " " and resid 1965 and name HD2%) 3.300 1.400 1.400 peak 99 spectrum 1 weight 0.10000E+01 volume 0.25710E-02 ppm1 8.388 ppm2 0.922 CV 1 OR { 99} (( segid " " and resid 1965 and name H )) ( segid " " and resid 1961 and name HG1%) ASSI { 100} (( segid " " and resid 1965 and name H )) ( segid " " and resid 1964 and name HG1%) 3.100 1.200 1.200 peak 100 spectrum 1 weight 0.10000E+01 volume 0.34664E-02 ppm1 8.386 ppm2 0.830 CV 1 OR { 100} (( segid " " and resid 1965 and name H )) ( segid " " and resid 1965 and name HD1%) ASSI { 118} (( segid " " and resid 1964 and name H )) (( segid " " and resid 1963 and name HB2 )) 2.400 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.48408E-02 ppm1 8.175 ppm2 3.470 CV 1 OR { 118} (( segid " " and resid 1964 and name H )) (( segid " " and resid 1964 and name HA )) ASSI { 131} (( segid " " and resid 1964 and name H )) ( segid " " and resid 1967 and name HB% ) 4.200 2.200 1.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.62455E-03 ppm1 8.174 ppm2 1.390 CV 1 OR { 131} (( segid " " and resid 1964 and name H )) ( segid " " and resid 1861 and name HB% ) ASSI { 185} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1960 and name HB2 )) 2.400 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.38059E-02 ppm1 7.975 ppm2 2.118 CV 1 OR { 185} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1959 and name HB2 )) ASSI { 195} (( segid " " and resid 1959 and name H )) ( segid " " and resid 1868 and name HG2%) 3.200 1.300 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.57200E-03 ppm1 7.865 ppm2 0.909 CV 1 OR { 195} (( segid " " and resid 1959 and name H )) ( segid " " and resid 1957 and name HG2%) ASSI { 197} (( segid " " and resid 1960 and name H )) ( segid " " and resid 1961 and name HG2%) 3.500 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.16877E-02 ppm1 7.976 ppm2 0.993 CV 1 OR { 197} (( segid " " and resid 1960 and name H )) ( segid " " and resid 1923 and name HD2%) ASSI { 222} (( segid " " and resid 1958 and name H )) ( segid " " and resid 1868 and name HG2%) 2.800 1.000 1.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.37493E-02 ppm1 8.761 ppm2 0.911 CV 1 OR { 222} (( segid " " and resid 1958 and name H )) ( segid " " and resid 1957 and name HG2%) ASSI { 300} (( segid " " and resid 1949 and name H )) (( segid " " and resid 1948 and name HB3 )) 2.700 0.900 0.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.49884E-02 ppm1 8.044 ppm2 1.893 CV 1 OR { 300} (( segid " " and resid 1881 and name H )) (( segid " " and resid 1881 and name HB3 )) ASSI { 305} (( segid " " and resid 1916 and name H )) (( segid " " and resid 1917 and name HG2 )) 4.300 2.300 1.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.35775E-03 ppm1 8.042 ppm2 1.130 CV 1 OR { 305} (( segid " " and resid 1949 and name H )) ( segid " " and resid 1946 and name HG2%) ASSI { 343} (( segid " " and resid 1946 and name H )) (( segid " " and resid 1947 and name HB3 )) 4.200 2.200 1.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.57806E-03 ppm1 8.136 ppm2 1.897 CV 1 OR { 343} (( segid " " and resid 1946 and name H )) (( segid " " and resid 1948 and name HB3 )) ASSI { 414} (( segid " " and resid 1938 and name H )) ( segid " " and resid 1937 and name HD1%) 3.000 1.100 1.100 peak 414 spectrum 1 weight 0.10000E+01 volume 0.24497E-02 ppm1 7.923 ppm2 0.939 CV 1 OR { 414} (( segid " " and resid 1938 and name H )) ( segid " " and resid 1882 and name HD1%) ASSI { 418} (( segid " " and resid 1936 and name H )) (( segid " " and resid 1937 and name H )) 2.300 0.700 0.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.68922E-02 ppm1 7.654 ppm2 8.209 CV 1 OR { 418} (( segid " " and resid 1936 and name H )) (( segid " " and resid 1935 and name H )) ASSI { 483} (( segid " " and resid 1906 and name H )) (( segid " " and resid 1906 and name HA )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.37655E-02 ppm1 8.013 ppm2 4.328 CV 1 OR { 483} (( segid " " and resid 1933 and name H )) (( segid " " and resid 1932 and name HB )) ASSI { 499} (( segid " " and resid 1906 and name H )) ( segid " " and resid 1907 and name HB% ) 3.400 1.400 1.400 peak 499 spectrum 1 weight 0.10000E+01 volume 0.23709E-02 ppm1 8.018 ppm2 1.149 CV 1 OR { 499} (( segid " " and resid 1864 and name H )) ( segid " " and resid 1860 and name HG2%) ASSI { 500} (( segid " " and resid 1906 and name H )) ( segid " " and resid 1905 and name HG2%) 3.300 1.400 1.400 peak 500 spectrum 1 weight 0.10000E+01 volume 0.23224E-02 ppm1 8.014 ppm2 0.924 CV 1 OR { 500} (( segid " " and resid 1864 and name H )) ( segid " " and resid 1961 and name HG1%) ASSI { 575} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1923 and name HA )) 3.700 1.700 1.700 peak 575 spectrum 1 weight 0.10000E+01 volume 0.57402E-03 ppm1 7.860 ppm2 4.082 CV 1 OR { 575} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1922 and name HA )) ASSI { 615} (( segid " " and resid 1923 and name H )) (( segid " " and resid 1921 and name HA )) 4.000 2.000 2.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.66096E-03 ppm1 8.153 ppm2 3.865 CV 1 OR { 615} (( segid " " and resid 1828 and name H )) (( segid " " and resid 1825 and name HA3 )) ASSI { 630} (( segid " " and resid 1835 and name H )) (( segid " " and resid 1835 and name HB )) 2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.40728E-02 ppm1 8.441 ppm2 1.930 CV 1 OR { 630} (( segid " " and resid 1922 and name H )) (( segid " " and resid 1922 and name HB2 )) ASSI { 668} (( segid " " and resid 1921 and name H )) ( segid " " and resid 1838 and name HD1%) 3.300 1.300 1.300 peak 668 spectrum 1 weight 0.10000E+01 volume 0.25346E-02 ppm1 9.017 ppm2 0.968 CV 1 OR { 668} (( segid " " and resid 1921 and name H )) ( segid " " and resid 1920 and name HG2%) ASSI { 678} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1918 and name HA )) 3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.13522E-02 ppm1 8.620 ppm2 4.596 CV 1 OR { 678} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1915 and name HA )) ASSI { 689} (( segid " " and resid 1832 and name H )) (( segid " " and resid 1831 and name HB )) 2.700 0.900 0.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.24032E-02 ppm1 8.611 ppm2 1.767 CV 1 OR { 689} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1919 and name HB2 )) ASSI { 690} (( segid " " and resid 1918 and name H )) (( segid " " and resid 1919 and name HG2 )) 4.200 2.200 1.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.64274E-03 ppm1 8.671 ppm2 2.023 CV 1 OR { 690} (( segid " " and resid 1918 and name H )) (( segid " " and resid 1916 and name HB )) ASSI { 698} (( segid " " and resid 1918 and name H )) ( segid " " and resid 1920 and name HG2%) 4.100 2.100 1.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.54370E-03 ppm1 8.672 ppm2 0.966 CV 1 OR { 698} (( segid " " and resid 1918 and name H )) ( segid " " and resid 1838 and name HD1%) ASSI { 707} (( segid " " and resid 1917 and name H )) (( segid " " and resid 1915 and name HA )) 4.900 3.100 1.100 peak 707 spectrum 1 weight 0.10000E+01 volume 0.21020E-03 ppm1 7.889 ppm2 4.596 CV 1 OR { 707} (( segid " " and resid 1917 and name H )) (( segid " " and resid 1918 and name HA )) ASSI { 711} (( segid " " and resid 1916 and name H )) (( segid " " and resid 1916 and name HA )) 2.800 1.000 1.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.31390E-02 ppm1 8.060 ppm2 3.351 CV 1 OR { 711} (( segid " " and resid 1916 and name H )) (( segid " " and resid 1915 and name HB2 )) ASSI { 743} (( segid " " and resid 1915 and name H )) (( segid " " and resid 1911 and name HB3 )) 3.900 1.900 1.900 peak 743 spectrum 1 weight 0.10000E+01 volume 0.86713E-03 ppm1 7.969 ppm2 2.038 CV 1 OR { 743} (( segid " " and resid 1915 and name H )) (( segid " " and resid 1916 and name HB )) ASSI { 749} (( segid " " and resid 1914 and name H )) (( segid " " and resid 1917 and name HG2 )) 4.400 2.500 1.600 peak 749 spectrum 1 weight 0.10000E+01 volume 0.40829E-03 ppm1 8.215 ppm2 1.129 CV 1 OR { 749} (( segid " " and resid 1914 and name H )) ( segid " " and resid 1907 and name HB% ) ASSI { 836} (( segid " " and resid 1905 and name H )) (( segid " " and resid 1902 and name HB2 )) 3.600 3.600 2.400 peak 836 spectrum 1 weight 0.10000E+01 volume 0.27690E-03 ppm1 7.091 ppm2 1.935 CV 1 OR { 836} (( segid " " and resid 1905 and name H )) (( segid " " and resid 1842 and name HB3 )) ASSI { 866} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1898 and name H )) 2.400 0.700 0.700 peak 866 spectrum 1 weight 0.10000E+01 volume 0.58474E-02 ppm1 7.616 ppm2 7.841 CV 1 OR { 866} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1900 and name H )) ASSI { 880} (( segid " " and resid 1900 and name H )) (( segid " " and resid 1899 and name HA )) 3.000 1.100 1.100 peak 880 spectrum 1 weight 0.10000E+01 volume 0.19767E-02 ppm1 7.826 ppm2 4.110 CV 1 OR { 880} (( segid " " and resid 1866 and name H )) (( segid " " and resid 1863 and name HA )) ASSI { 893} (( segid " " and resid 1901 and name H )) ( segid " " and resid 1900 and name HB% ) 2.800 1.000 1.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.22496E-02 ppm1 7.028 ppm2 1.382 CV 1 OR { 893} (( segid " " and resid 1901 and name H )) (( segid " " and resid 1901 and name HG3 )) ASSI { 909} (( segid " " and resid 1897 and name H )) (( segid " " and resid 1897 and name HA )) 2.700 0.900 0.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.28277E-02 ppm1 8.483 ppm2 3.675 CV 1 OR { 909} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1871 and name HA )) ASSI { 913} (( segid " " and resid 1898 and name H )) (( segid " " and resid 1896 and name HB3 )) 4.100 2.100 1.900 peak 913 spectrum 1 weight 0.10000E+01 volume 0.53562E-03 ppm1 7.848 ppm2 1.796 CV 1 OR { 913} (( segid " " and resid 1898 and name H )) ( segid " " and resid 1857 and name HE% ) ASSI { 939} (( segid " " and resid 1896 and name H )) (( segid " " and resid 1896 and name HB2 )) 2.500 0.800 0.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.42344E-02 ppm1 8.096 ppm2 1.369 CV 1 OR { 939} (( segid " " and resid 1818 and name H )) ( segid " " and resid 1818 and name HB% ) ASSI { 940} (( segid " " and resid 1818 and name H )) ( segid " " and resid 1818 and name HB% ) 2.500 0.800 0.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.78603E-02 ppm1 8.068 ppm2 1.351 CV 1 OR { 940} (( segid " " and resid 1818 and name H )) ( segid " " and resid 1817 and name HB% ) ASSI { 1021} (( segid " " and resid 1889 and name H )) ( segid " " and resid 1889 and name HD1%) 3.900 1.900 1.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.12228E-02 ppm1 8.603 ppm2 1.005 CV 1 OR { 1021} (( segid " " and resid 1889 and name H )) ( segid " " and resid 1931 and name HG1%) ASSI { 1079} (( segid " " and resid 1886 and name H )) ( segid " " and resid 1885 and name HD2%) 4.100 2.100 1.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 8.457 ppm2 0.933 CV 1 OR { 1079} (( segid " " and resid 1886 and name H )) ( segid " " and resid 1824 and name HG2%) ASSI { 1088} (( segid " " and resid 1882 and name H )) (( segid " " and resid 1881 and name HA )) 2.900 1.100 1.100 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.20919E-02 ppm1 7.831 ppm2 4.253 CV 1 OR { 1088} (( segid " " and resid 1882 and name H )) (( segid " " and resid 1880 and name HA )) ASSI { 1145} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1879 and name HB3 )) 4.700 2.800 1.300 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.27286E-03 ppm1 8.699 ppm2 1.887 CV 1 OR { 1145} (( segid " " and resid 1878 and name H )) (( segid " " and resid 1881 and name HB3 )) ASSI { 1154} (( segid " " and resid 1874 and name H )) (( segid " " and resid 1875 and name H )) 2.500 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.41738E-02 ppm1 8.840 ppm2 8.122 CV 1 OR { 1154} (( segid " " and resid 1854 and name H )) (( segid " " and resid 1855 and name H )) ASSI { 1164} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1873 and name HA )) 4.300 2.400 1.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.51541E-03 ppm1 8.123 ppm2 3.918 CV 1 OR { 1164} (( segid " " and resid 1875 and name H )) (( segid " " and resid 1879 and name HA )) ASSI { 1199} (( segid " " and resid 1860 and name H )) (( segid " " and resid 1857 and name HA )) 2.400 0.700 0.700 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.82625E-02 ppm1 8.182 ppm2 3.901 CV 1 OR { 1199} (( segid " " and resid 1860 and name H )) (( segid " " and resid 1859 and name HA )) ASSI { 1218} (( segid " " and resid 1873 and name H )) ( segid " " and resid 1885 and name HD1%) 4.300 2.300 1.700 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.53966E-03 ppm1 8.177 ppm2 0.754 CV 1 OR { 1218} (( segid " " and resid 1873 and name H )) ( segid " " and resid 1950 and name HD2%) ASSI { 1222} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1872 and name H )) 2.700 0.900 0.900 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.24558E-02 ppm1 8.466 ppm2 7.833 CV 1 OR { 1222} (( segid " " and resid 1897 and name H )) (( segid " " and resid 1898 and name H )) ASSI { 1253} (( segid " " and resid 1869 and name H )) (( segid " " and resid 1866 and name H )) 4.200 2.200 1.800 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.34563E-03 ppm1 7.535 ppm2 7.821 CV 1 OR { 1253} (( segid " " and resid 1869 and name H )) (( segid " " and resid 1872 and name H )) ASSI { 1264} (( segid " " and resid 1868 and name H )) (( segid " " and resid 1871 and name HB2 )) 5.100 3.300 0.900 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.21020E-03 ppm1 8.449 ppm2 2.412 CV 1 OR { 1264} (( segid " " and resid 1868 and name H )) (( segid " " and resid 1869 and name HG3 )) ASSI { 1270} (( segid " " and resid 1868 and name H )) ( segid " " and resid 1865 and name HB% ) 4.600 2.600 1.400 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.56391E-03 ppm1 8.452 ppm2 1.550 CV 1 OR { 1270} (( segid " " and resid 1868 and name H )) (( segid " " and resid 1889 and name HG )) ASSI { 1310} (( segid " " and resid 1862 and name H )) ( segid " " and resid 1961 and name HG2%) 4.500 2.500 1.500 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.49318E-03 ppm1 8.269 ppm2 1.016 CV 1 OR { 1310} (( segid " " and resid 1862 and name H )) ( segid " " and resid 1858 and name HG1%) ASSI { 1311} (( segid " " and resid 1862 and name H )) ( segid " " and resid 1965 and name HD2%) 3.300 1.300 1.300 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.12997E-02 ppm1 8.266 ppm2 0.920 CV 1 OR { 1311} (( segid " " and resid 1862 and name H )) ( segid " " and resid 1961 and name HG1%) ASSI { 1312} (( segid " " and resid 1862 and name H )) ( segid " " and resid 1965 and name HD1%) 3.600 1.600 1.600 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.14391E-02 ppm1 8.267 ppm2 0.838 CV 1 OR { 1312} (( segid " " and resid 1862 and name H )) ( segid " " and resid 1858 and name HG2%) ASSI { 1342} (( segid " " and resid 1859 and name H )) (( segid " " and resid 1855 and name HA )) 4.200 2.200 1.800 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.52754E-03 ppm1 7.191 ppm2 3.734 CV 1 OR { 1342} (( segid " " and resid 1853 and name H )) (( segid " " and resid 1851 and name HA )) ASSI { 1346} (( segid " " and resid 1853 and name H )) (( segid " " and resid 1854 and name HA )) 4.800 2.900 1.200 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.32340E-03 ppm1 7.185 ppm2 3.444 CV 1 OR { 1346} (( segid " " and resid 1853 and name H )) (( segid " " and resid 1903 and name HA )) ASSI { 1368} (( segid " " and resid 1857 and name H )) (( segid " " and resid 1859 and name H )) 4.400 2.400 1.600 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.29105E-03 ppm1 8.837 ppm2 7.188 CV 1 OR { 1368} (( segid " " and resid 1857 and name H )) (( segid " " and resid 1899 and name HE21)) ASSI { 1369} (( segid " " and resid 1856 and name H )) (( segid " " and resid 1859 and name H )) 4.300 2.300 1.700 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.21627E-03 ppm1 7.463 ppm2 7.192 CV 1 OR { 1369} (( segid " " and resid 1856 and name H )) (( segid " " and resid 1853 and name H )) ASSI { 1469} (( segid " " and resid 1847 and name H )) (( segid " " and resid 1846 and name HB2 )) 2.900 1.100 1.100 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.25225E-02 ppm1 8.560 ppm2 2.246 CV 1 OR { 1469} (( segid " " and resid 1847 and name H )) (( segid " " and resid 1847 and name HG2 )) ASSI { 1489} (( segid " " and resid 1843 and name H )) (( segid " " and resid 1842 and name HB3 )) 3.400 1.400 1.400 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.15482E-02 ppm1 8.489 ppm2 1.928 CV 1 OR { 1489} (( segid " " and resid 1843 and name H )) (( segid " " and resid 1843 and name HB3 )) ASSI { 1521} (( segid " " and resid 1887 and name H )) (( segid " " and resid 1887 and name HD21)) 4.000 2.000 2.000 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.41435E-03 ppm1 8.222 ppm2 7.498 CV 1 OR { 1521} (( segid " " and resid 1837 and name H )) (( segid " " and resid 1839 and name H )) ASSI { 1532} (( segid " " and resid 1838 and name H )) (( segid " " and resid 1839 and name HB2 )) 4.800 2.900 1.200 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.20616E-03 ppm1 7.390 ppm2 2.830 CV 1 OR { 1532} (( segid " " and resid 1838 and name H )) (( segid " " and resid 1836 and name HB3 )) ASSI { 1579} (( segid " " and resid 1834 and name H )) (( segid " " and resid 1837 and name HG2 )) 4.500 2.500 1.500 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.35169E-03 ppm1 7.772 ppm2 2.462 CV 1 OR { 1579} (( segid " " and resid 1834 and name H )) (( segid " " and resid 1833 and name HG2 )) ASSI { 1605} (( segid " " and resid 1831 and name H )) ( segid " " and resid 1828 and name HG1%) 4.700 2.800 1.300 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.29914E-03 ppm1 8.304 ppm2 0.936 CV 1 OR { 1605} (( segid " " and resid 1831 and name H )) ( segid " " and resid 1931 and name HG2%) ASSI { 1648} (( segid " " and resid 1826 and name H )) (( segid " " and resid 1826 and name HA3 )) 2.800 1.000 1.000 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.37211E-02 ppm1 8.105 ppm2 3.872 CV 1 OR { 1648} (( segid " " and resid 1826 and name H )) (( segid " " and resid 1825 and name HA3 )) ASSI { 1655} (( segid " " and resid 1825 and name H )) ( segid " " and resid 1824 and name HG2%) 3.300 1.300 1.300 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.23325E-02 ppm1 8.172 ppm2 0.923 CV 1 OR { 1655} (( segid " " and resid 1825 and name H )) ( segid " " and resid 1828 and name HG1%) ASSI { 1658} (( segid " " and resid 1824 and name H )) ( segid " " and resid 1824 and name HG2%) 2.500 0.800 0.800 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.82484E-02 ppm1 8.050 ppm2 0.934 CV 1 OR { 1658} (( segid " " and resid 1824 and name H )) ( segid " " and resid 1823 and name HG2%) OR { 1658} (( segid " " and resid 1824 and name H )) ( segid " " and resid 1823 and name HG1%) ASSI { 1663} (( segid " " and resid 1821 and name H )) ( segid " " and resid 1821 and name HB% ) 2.400 0.700 0.700 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.92892E-02 ppm1 8.062 ppm2 1.348 CV 1 OR { 1663} (( segid " " and resid 1821 and name H )) ( segid " " and resid 1820 and name HB% ) ASSI { 1665} (( segid " " and resid 1820 and name H )) (( segid " " and resid 1819 and name H )) 4.100 2.100 1.900 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.38403E-03 ppm1 8.228 ppm2 8.064 CV 1 OR { 1665} (( segid " " and resid 1820 and name H )) (( segid " " and resid 1821 and name H )) ASSI { 1676} (( segid " " and resid 1818 and name H )) (( segid " " and resid 1818 and name HA )) 2.600 0.900 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.50045E-02 ppm1 8.068 ppm2 4.219 CV 1 OR { 1676} (( segid " " and resid 1818 and name H )) (( segid " " and resid 1817 and name HA )) ASSI { 1797} (( segid " " and resid 1969 and name HE21)) (( segid " " and resid 1858 and name HB )) 4.800 2.900 1.200 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.20212E-03 ppm1 6.777 ppm2 2.109 CV 1 OR { 1797} (( segid " " and resid 1969 and name HE21)) (( segid " " and resid 1969 and name HB2 )) ASSI { 1801} (( segid " " and resid 1969 and name HE22)) (( segid " " and resid 1969 and name HB2 )) 4.100 2.100 1.900 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.37999E-03 ppm1 7.288 ppm2 2.111 CV 1 OR { 1801} (( segid " " and resid 1969 and name HE22)) (( segid " " and resid 1858 and name HB )) ASSI { 1805} (( segid " " and resid 1969 and name HE22)) ( segid " " and resid 1858 and name HG2%) 2.900 2.900 3.100 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.10166E-02 ppm1 7.289 ppm2 0.835 CV 1 OR { 1805} (( segid " " and resid 1969 and name HE22)) ( segid " " and resid 1965 and name HD1%) ASSI { 1857} (( segid " " and resid 1815 and name HD22)) (( segid " " and resid 1815 and name HD21)) 1.700 0.400 0.500 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.24384E-01 ppm1 6.828 ppm2 7.554 CV 1 OR { 1857} (( segid " " and resid 1972 and name HD22)) (( segid " " and resid 1972 and name HD21)) ASSI { 1864} (( segid " " and resid 1968 and name H )) (( segid " " and resid 1854 and name HG3 )) 3.700 1.700 1.700 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.35149E-02 ppm1 7.882 ppm2 1.891 CV 1 OR { 1864} (( segid " " and resid 1968 and name H )) (( segid " " and resid 1857 and name HB2 )) ASSI { 1865} (( segid " " and resid 1968 and name H )) ( segid " " and resid 1966 and name HB% ) 4.300 2.300 1.700 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.52956E-03 ppm1 7.880 ppm2 1.509 CV 1 OR { 1865} (( segid " " and resid 1938 and name H )) ( segid " " and resid 1936 and name HB% ) ASSI { 1866} (( segid " " and resid 1967 and name H )) ( segid " " and resid 1964 and name HG1%) 4.000 2.000 2.000 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.68517E-03 ppm1 7.805 ppm2 0.814 CV 1 OR { 1866} (( segid " " and resid 1967 and name H )) ( segid " " and resid 1916 and name HG2%) OR { 1866} (( segid " " and resid 1967 and name H )) (( segid " " and resid 1968 and name HG )) ASSI { 1867} (( segid " " and resid 1966 and name H )) (( segid " " and resid 1965 and name HB3 )) 3.300 1.400 1.400 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.24113E-02 ppm1 8.059 ppm2 1.425 CV 1 OR { 1867} (( segid " " and resid 1966 and name H )) ( segid " " and resid 1967 and name HB% ) ASSI { 1868} (( segid " " and resid 1961 and name H )) (( segid " " and resid 1959 and name H )) 3.700 1.700 1.700 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.65691E-03 ppm1 8.874 ppm2 7.882 CV 1 OR { 1868} (( segid " " and resid 1961 and name H )) (( segid " " and resid 1963 and name H )) ASSI { 1869} (( segid " " and resid 1962 and name H )) (( segid " " and resid 1965 and name HB2 )) 3.900 1.900 1.900 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.64274E-03 ppm1 7.578 ppm2 1.976 CV 1 OR { 1869} (( segid " " and resid 1962 and name H )) (( segid " " and resid 1959 and name HB3 )) OR { 1869} (( segid " " and resid 1962 and name H )) (( segid " " and resid 1960 and name HB3 )) ASSI { 1870} (( segid " " and resid 1930 and name H )) (( segid " " and resid 1929 and name HA )) 3.600 1.600 1.600 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.95196E-03 ppm1 7.941 ppm2 4.105 CV 1 OR { 1870} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1956 and name HA )) OR { 1870} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1923 and name HA )) ASSI { 1871} (( segid " " and resid 1930 and name H )) (( segid " " and resid 1927 and name HA )) 3.000 1.200 1.200 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.19868E-02 ppm1 7.941 ppm2 3.906 CV 1 OR { 1871} (( segid " " and resid 1930 and name H )) (( segid " " and resid 1928 and name HA )) OR { 1871} (( segid " " and resid 1960 and name H )) (( segid " " and resid 1958 and name HA )) ASSI { 1872} (( segid " " and resid 1958 and name H )) (( segid " " and resid 1956 and name HB3 )) 4.600 2.600 1.400 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.22031E-03 ppm1 8.758 ppm2 1.868 CV 1 OR { 1872} (( segid " " and resid 1958 and name H )) (( segid " " and resid 1960 and name HD3 )) ASSI { 1873} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1955 and name HA )) 3.200 1.200 1.200 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.15523E-02 ppm1 7.717 ppm2 3.998 CV 1 OR { 1873} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1953 and name HA )) ASSI { 1874} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1956 and name HB2 )) 2.400 0.700 0.700 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.54027E-02 ppm1 7.718 ppm2 2.015 CV 1 OR { 1874} (( segid " " and resid 1956 and name H )) (( segid " " and resid 1955 and name HB2 )) ASSI { 1876} (( segid " " and resid 1910 and name H )) (( segid " " and resid 1910 and name HG3 )) 4.500 2.500 1.500 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.57402E-03 ppm1 8.946 ppm2 2.286 CV 1 OR { 1876} (( segid " " and resid 1910 and name H )) (( segid " " and resid 1910 and name HG2 )) OR { 1876} (( segid " " and resid 1954 and name H )) (( segid " " and resid 1872 and name HB )) ASSI { 1877} (( segid " " and resid 1950 and name H )) (( segid " " and resid 1951 and name H )) 2.500 0.800 0.800 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.38969E-02 ppm1 8.395 ppm2 8.057 CV 1 OR { 1877} (( segid " " and resid 1950 and name H )) (( segid " " and resid 1949 and name H )) ASSI { 1878} (( segid " " and resid 1949 and name H )) (( segid " " and resid 1945 and name HA )) 4.700 2.800 1.300 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.23446E-03 ppm1 8.039 ppm2 4.143 CV 1 OR { 1878} (( segid " " and resid 1916 and name H )) (( segid " " and resid 1968 and name HA )) ASSI { 1879} (( segid " " and resid 1950 and name H )) ( segid " " and resid 1930 and name HD2%) 4.000 2.000 2.000 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.83681E-03 ppm1 8.395 ppm2 0.917 CV 1 OR { 1879} (( segid " " and resid 1950 and name H )) ( segid " " and resid 1951 and name HG2%) OR { 1879} (( segid " " and resid 1950 and name H )) ( segid " " and resid 1882 and name HD1%) OR { 1879} (( segid " " and resid 1950 and name H )) ( segid " " and resid 1882 and name HD2%) ASSI { 1881} (( segid " " and resid 1900 and name H )) (( segid " " and resid 1899 and name HA )) 3.300 1.300 1.300 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 7.801 ppm2 4.143 CV 1 OR { 1881} (( segid " " and resid 1948 and name H )) (( segid " " and resid 1945 and name HA )) OR { 1881} (( segid " " and resid 1900 and name H )) (( segid " " and resid 1898 and name HA )) ASSI { 1886} (( segid " " and resid 1948 and name H )) ( segid " " and resid 1951 and name HD1%) 4.300 2.300 1.700 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.82265E-03 ppm1 7.834 ppm2 0.792 CV 1 OR { 1886} (( segid " " and resid 1900 and name H )) ( segid " " and resid 1920 and name HG1%) OR { 1886} (( segid " " and resid 1900 and name H )) ( segid " " and resid 1916 and name HG2%) ASSI { 1888} (( segid " " and resid 1945 and name H )) ( segid " " and resid 1944 and name HG2%) 3.100 1.200 1.200 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.39615E-02 ppm1 8.108 ppm2 0.876 CV 1 OR { 1888} (( segid " " and resid 1945 and name H )) ( segid " " and resid 1944 and name HG1%) OR { 1888} (( segid " " and resid 1896 and name H )) ( segid " " and resid 1896 and name HD2%) OR { 1888} (( segid " " and resid 1896 and name H )) ( segid " " and resid 1896 and name HD1%) ASSI { 1889} (( segid " " and resid 1943 and name H )) (( segid " " and resid 1943 and name HA )) 2.700 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.40020E-02 ppm1 7.675 ppm2 4.572 CV 1 OR { 1889} (( segid " " and resid 1943 and name H )) (( segid " " and resid 1942 and name HA )) ASSI { 1890} (( segid " " and resid 1943 and name H )) ( segid " " and resid 1937 and name HD2%) 3.100 1.200 1.200 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.20353E-02 ppm1 7.674 ppm2 0.956 CV 1 OR { 1890} (( segid " " and resid 1863 and name H )) ( segid " " and resid 1961 and name HG1%) OR { 1890} (( segid " " and resid 1943 and name H )) ( segid " " and resid 1937 and name HD1%) ASSI { 1900} (( segid " " and resid 1845 and name H )) (( segid " " and resid 1844 and name HA3 )) 2.700 0.900 0.900 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.43981E-02 ppm1 8.239 ppm2 3.913 CV 1 OR { 1900} (( segid " " and resid 1845 and name H )) (( segid " " and resid 1844 and name HA2 )) OR { 1900} (( segid " " and resid 1867 and name H )) (( segid " " and resid 1864 and name HA )) OR { 1900} (( segid " " and resid 1937 and name H )) (( segid " " and resid 1934 and name HA )) ASSI { 1901} (( segid " " and resid 1845 and name H )) (( segid " " and resid 1846 and name HD3 )) 2.800 1.000 1.000 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.25669E-02 ppm1 8.239 ppm2 3.705 CV 1 OR { 1901} (( segid " " and resid 1867 and name H )) (( segid " " and resid 1866 and name HA )) OR { 1901} (( segid " " and resid 1937 and name H )) (( segid " " and resid 1935 and name HA3 )) ASSI { 1904} (( segid " " and resid 1937 and name H )) ( segid " " and resid 1946 and name HG2%) 3.100 1.200 1.200 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.28903E-02 ppm1 8.213 ppm2 1.150 CV 1 OR { 1904} (( segid " " and resid 1867 and name H )) ( segid " " and resid 1867 and name HG2%) ASSI { 1905} (( segid " " and resid 1936 and name H )) ( segid " " and resid 1823 and name HG1%) 3.700 1.700 1.700 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.10430E-02 ppm1 7.655 ppm2 0.937 CV 1 OR { 1905} (( segid " " and resid 1936 and name H )) ( segid " " and resid 1882 and name HD1%) OR { 1905} (( segid " " and resid 1936 and name H )) ( segid " " and resid 1937 and name HD1%) OR { 1905} (( segid " " and resid 1936 and name H )) ( segid " " and resid 1937 and name HD2%) OR { 1905} (( segid " " and resid 1936 and name H )) ( segid " " and resid 1930 and name HD2%) ASSI { 1907} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1935 and name HA2 )) 5.000 3.100 1.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.33148E-03 ppm1 8.772 ppm2 3.726 CV 1 OR { 1907} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1935 and name HA3 )) OR { 1907} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1950 and name HA )) ASSI { 1908} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1935 and name HA3 )) 4.700 2.800 1.300 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.44871E-03 ppm1 8.772 ppm2 3.645 CV 1 OR { 1908} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1950 and name HA )) ASSI { 1909} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1933 and name HB2 )) 3.800 1.800 1.800 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.15038E-02 ppm1 8.772 ppm2 2.001 CV 1 OR { 1909} (( segid " " and resid 1934 and name H )) (( segid " " and resid 1882 and name HB3 )) ASSI { 1910} (( segid " " and resid 1935 and name H )) (( segid " " and resid 1882 and name HB3 )) 5.300 3.600 0.700 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.27084E-03 ppm1 8.208 ppm2 2.002 CV 1 OR { 1910} (( segid " " and resid 1935 and name H )) (( segid " " and resid 1933 and name HB2 )) ASSI { 1912} (( segid " " and resid 1935 and name H )) ( segid " " and resid 1932 and name HG2%) 3.900 1.900 1.900 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.33148E-03 ppm1 8.207 ppm2 1.155 CV 1 OR { 1912} (( segid " " and resid 1935 and name H )) ( segid " " and resid 1946 and name HG2%) ASSI { 1913} (( segid " " and resid 1935 and name H )) ( segid " " and resid 1824 and name HG2%) 3.000 1.200 1.200 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.25023E-02 ppm1 8.209 ppm2 0.932 CV 1 OR { 1913} (( segid " " and resid 1935 and name H )) ( segid " " and resid 1824 and name HG1%) OR { 1913} (( segid " " and resid 1935 and name H )) ( segid " " and resid 1823 and name HG2%) OR { 1913} (( segid " " and resid 1935 and name H )) ( segid " " and resid 1823 and name HG1%) OR { 1913} (( segid " " and resid 1935 and name H )) ( segid " " and resid 1882 and name HD1%) ASSI { 1914} (( segid " " and resid 1932 and name H )) (( segid " " and resid 1929 and name HA )) 3.400 1.500 1.500 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.11097E-02 ppm1 7.715 ppm2 4.108 CV 1 OR { 1914} (( segid " " and resid 1932 and name H )) (( segid " " and resid 1933 and name HA )) ASSI { 1915} (( segid " " and resid 1906 and name H )) ( segid " " and resid 1906 and name HB% ) 2.500 0.800 0.800 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.62112E-02 ppm1 8.011 ppm2 1.552 CV 1 OR { 1915} (( segid " " and resid 1864 and name H )) ( segid " " and resid 1863 and name HB% ) OR { 1915} (( segid " " and resid 1864 and name H )) (( segid " " and resid 1864 and name HG12)) ASSI { 1916} (( segid " " and resid 1932 and name H )) ( segid " " and resid 1929 and name HB% ) 4.300 2.300 1.700 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.59019E-03 ppm1 7.715 ppm2 1.479 CV 1 OR { 1916} (( segid " " and resid 1932 and name H )) ( segid " " and resid 1886 and name HB% ) ASSI { 1917} (( segid " " and resid 1906 and name H )) ( segid " " and resid 1905 and name HG1%) 3.200 1.300 1.300 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.22395E-02 ppm1 8.012 ppm2 1.015 CV 1 OR { 1917} (( segid " " and resid 1864 and name H )) ( segid " " and resid 1866 and name HG1%) OR { 1917} (( segid " " and resid 1864 and name H )) ( segid " " and resid 1889 and name HD1%) OR { 1917} (( segid " " and resid 1864 and name H )) ( segid " " and resid 1961 and name HG2%) ASSI { 1920} (( segid " " and resid 1928 and name H )) ( segid " " and resid 1931 and name HG2%) 4.100 2.100 1.900 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.64274E-03 ppm1 8.479 ppm2 0.985 CV 1 OR { 1920} (( segid " " and resid 1928 and name H )) ( segid " " and resid 1931 and name HG1%) OR { 1920} (( segid " " and resid 1928 and name H )) ( segid " " and resid 1923 and name HD2%) ASSI { 1923} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1930 and name HB2 )) 4.500 2.600 1.500 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.30116E-03 ppm1 8.702 ppm2 1.931 CV 1 OR { 1923} (( segid " " and resid 1927 and name H )) (( segid " " and resid 1922 and name HB2 )) ASSI { 1924} (( segid " " and resid 1927 and name H )) ( segid " " and resid 1957 and name HG1%) 3.600 1.600 1.600 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.75191E-03 ppm1 8.702 ppm2 0.812 CV 1 OR { 1924} (( segid " " and resid 1927 and name H )) ( segid " " and resid 1889 and name HD2%) ASSI { 1926} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1921 and name HB3 )) 5.100 3.200 0.900 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.30116E-03 ppm1 7.854 ppm2 2.089 CV 1 OR { 1926} (( segid " " and resid 1924 and name H )) (( segid " " and resid 1835 and name HG13)) ASSI { 1927} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1921 and name HB3 )) 4.200 2.200 1.800 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.26074E-03 ppm1 7.584 ppm2 2.083 CV 1 OR { 1927} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1835 and name HG13)) OR { 1927} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1960 and name HB2 )) ASSI { 1928} (( segid " " and resid 1925 and name H )) (( segid " " and resid 1835 and name HG12)) 4.300 2.400 1.700 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.39817E-03 ppm1 7.582 ppm2 0.964 CV 1 OR { 1928} (( segid " " and resid 1925 and name H )) ( segid " " and resid 1923 and name HD2%) ASSI { 1930} (( segid " " and resid 1828 and name H )) (( segid " " and resid 1828 and name HB )) 2.500 0.800 0.800 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.39373E-02 ppm1 8.153 ppm2 2.053 CV 1 OR { 1930} (( segid " " and resid 1923 and name H )) (( segid " " and resid 1960 and name HB3 )) ASSI { 1932} (( segid " " and resid 1828 and name H )) ( segid " " and resid 1831 and name HD1%) 5.100 3.200 0.900 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.24861E-03 ppm1 8.152 ppm2 0.630 CV 1 OR { 1932} (( segid " " and resid 1923 and name H )) ( segid " " and resid 1831 and name HG2%) ASSI { 1934} (( segid " " and resid 1921 and name H )) (( segid " " and resid 1919 and name HA )) 4.400 2.400 1.600 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.28701E-03 ppm1 9.016 ppm2 4.102 CV 1 OR { 1934} (( segid " " and resid 1921 and name H )) (( segid " " and resid 1922 and name HA )) ASSI { 1937} (( segid " " and resid 1832 and name H )) (( segid " " and resid 1828 and name HA )) 4.800 2.900 1.200 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.31935E-03 ppm1 8.621 ppm2 3.469 CV 1 OR { 1937} (( segid " " and resid 1919 and name H )) (( segid " " and resid 1964 and name HA )) ASSI { 1940} (( segid " " and resid 1919 and name H )) ( segid " " and resid 1920 and name HG2%) 4.000 2.000 2.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.10349E-02 ppm1 8.620 ppm2 0.987 CV 1 OR { 1940} (( segid " " and resid 1919 and name H )) ( segid " " and resid 1964 and name HG2%) OR { 1940} (( segid " " and resid 1832 and name H )) ( segid " " and resid 1931 and name HG2%) ASSI { 1941} (( segid " " and resid 1917 and name H )) ( segid " " and resid 1904 and name HB% ) 3.600 1.600 1.600 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.11097E-02 ppm1 7.889 ppm2 1.438 CV 1 OR { 1941} (( segid " " and resid 1917 and name H )) ( segid " " and resid 1914 and name HB% ) OR { 1941} (( segid " " and resid 1917 and name H )) ( segid " " and resid 1967 and name HB% ) ASSI { 1943} (( segid " " and resid 1914 and name H )) (( segid " " and resid 1911 and name HB3 )) 3.700 1.700 1.700 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.61041E-03 ppm1 8.212 ppm2 2.012 CV 1 OR { 1943} (( segid " " and resid 1914 and name H )) (( segid " " and resid 1916 and name HB )) OR { 1943} (( segid " " and resid 1914 and name H )) (( segid " " and resid 1911 and name HB2 )) ASSI { 1945} (( segid " " and resid 1913 and name H )) (( segid " " and resid 1911 and name HB2 )) 3.700 1.700 1.700 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.58210E-03 ppm1 8.097 ppm2 2.005 CV 1 OR { 1945} (( segid " " and resid 1913 and name H )) (( segid " " and resid 1911 and name HB3 )) OR { 1945} (( segid " " and resid 1913 and name H )) (( segid " " and resid 1916 and name HB )) ASSI { 1947} (( segid " " and resid 1913 and name H )) ( segid " " and resid 1914 and name HB% ) 4.400 2.500 1.600 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.74380E-03 ppm1 8.097 ppm2 1.431 CV 1 OR { 1947} (( segid " " and resid 1913 and name H )) ( segid " " and resid 1904 and name HB% ) ASSI { 1951} (( segid " " and resid 1907 and name H )) ( segid " " and resid 1916 and name HD1%) 3.700 1.700 1.700 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.51339E-03 ppm1 7.309 ppm2 1.012 CV 1 OR { 1951} (( segid " " and resid 1907 and name H )) ( segid " " and resid 1905 and name HG1%) ASSI { 1955} (( segid " " and resid 1904 and name H )) ( segid " " and resid 1900 and name HB% ) 3.900 1.900 1.900 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.41233E-03 ppm1 7.785 ppm2 1.355 CV 1 OR { 1955} (( segid " " and resid 1904 and name H )) (( segid " " and resid 1902 and name HB3 )) ASSI { 1956} (( segid " " and resid 1904 and name H )) ( segid " " and resid 1916 and name HD1%) 3.700 1.700 1.700 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.97017E-03 ppm1 7.786 ppm2 1.013 CV 1 OR { 1956} (( segid " " and resid 1904 and name H )) ( segid " " and resid 1905 and name HG1%) ASSI { 1958} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1901 and name HB2 )) 4.600 2.700 1.400 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.32542E-03 ppm1 7.615 ppm2 1.922 CV 1 OR { 1958} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1902 and name HB2 )) OR { 1958} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1857 and name HB3 )) OR { 1958} (( segid " " and resid 1899 and name H )) (( segid " " and resid 1857 and name HB2 )) ASSI { 1960} (( segid " " and resid 1900 and name H )) (( segid " " and resid 1899 and name HB3 )) 3.900 1.900 1.900 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.92776E-03 ppm1 7.832 ppm2 2.069 CV 1 OR { 1960} (( segid " " and resid 1866 and name H )) (( segid " " and resid 1868 and name HB )) ASSI { 1962} (( segid " " and resid 1897 and name H )) (( segid " " and resid 1898 and name HA )) 4.900 3.000 1.100 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.31531E-03 ppm1 8.486 ppm2 4.143 CV 1 OR { 1962} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1885 and name HA )) OR { 1962} (( segid " " and resid 1897 and name H )) (( segid " " and resid 1834 and name HA )) ASSI { 1964} (( segid " " and resid 1898 and name H )) ( segid " " and resid 1834 and name HB% ) 3.500 1.600 1.600 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.39413E-03 ppm1 7.849 ppm2 1.575 CV 1 OR { 1964} (( segid " " and resid 1898 and name H )) (( segid " " and resid 1901 and name HG2 )) ASSI { 1965} (( segid " " and resid 1897 and name H )) ( segid " " and resid 1920 and name HG1%) 3.400 1.400 1.400 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.21222E-02 ppm1 8.484 ppm2 0.832 CV 1 OR { 1965} (( segid " " and resid 1897 and name H )) ( segid " " and resid 1896 and name HD1%) ASSI { 1966} (( segid " " and resid 1895 and name H )) (( segid " " and resid 1896 and name H )) 2.500 0.800 0.800 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.48529E-02 ppm1 7.701 ppm2 8.078 CV 1 OR { 1966} (( segid " " and resid 1827 and name H )) (( segid " " and resid 1826 and name H )) OR { 1966} (( segid " " and resid 1895 and name H )) (( segid " " and resid 1894 and name H )) ASSI { 1967} (( segid " " and resid 1896 and name H )) (( segid " " and resid 1895 and name HA )) 4.200 2.200 1.800 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.41031E-03 ppm1 8.107 ppm2 4.040 CV 1 OR { 1967} (( segid " " and resid 1896 and name H )) (( segid " " and resid 1860 and name HB )) OR { 1967} (( segid " " and resid 1945 and name H )) (( segid " " and resid 1946 and name HB )) ASSI { 1969} (( segid " " and resid 1895 and name H )) ( segid " " and resid 1864 and name HG2%) 4.700 2.700 1.300 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.43456E-03 ppm1 7.700 ppm2 0.839 CV 1 OR { 1969} (( segid " " and resid 1895 and name H )) ( segid " " and resid 1896 and name HD1%) OR { 1969} (( segid " " and resid 1827 and name H )) ( segid " " and resid 1828 and name HG2%) ASSI { 1971} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1889 and name HB3 )) 4.300 2.300 1.700 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.45679E-03 ppm1 9.128 ppm2 1.999 CV 1 OR { 1971} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1895 and name HB3 )) ASSI { 1972} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1889 and name HG )) 4.100 2.200 1.900 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.38403E-03 ppm1 9.129 ppm2 1.528 CV 1 OR { 1972} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1864 and name HG12)) OR { 1972} (( segid " " and resid 1893 and name H )) (( segid " " and resid 1895 and name HG3 )) ASSI { 1973} (( segid " " and resid 1894 and name H )) ( segid " " and resid 1834 and name HB% ) 4.000 2.000 2.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.62859E-03 ppm1 8.058 ppm2 1.574 CV 1 OR { 1973} (( segid " " and resid 1894 and name H )) (( segid " " and resid 1895 and name HG3 )) ASSI { 1974} (( segid " " and resid 1892 and name H )) (( segid " " and resid 1891 and name HB3 )) 2.700 0.900 0.900 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.42789E-02 ppm1 8.752 ppm2 3.914 CV 1 OR { 1974} (( segid " " and resid 1892 and name H )) (( segid " " and resid 1891 and name HB2 )) OR { 1974} (( segid " " and resid 1892 and name H )) (( segid " " and resid 1888 and name HA )) ASSI { 1976} (( segid " " and resid 1892 and name H )) (( segid " " and resid 1889 and name HB3 )) 4.200 2.200 1.800 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.58008E-03 ppm1 8.749 ppm2 1.989 CV 1 OR { 1976} (( segid " " and resid 1892 and name H )) (( segid " " and resid 1895 and name HB3 )) ASSI { 1980} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1885 and name HA )) 2.500 2.500 3.500 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.35472E-02 ppm1 8.036 ppm2 4.089 CV 1 OR { 1980} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1923 and name HA )) OR { 1980} (( segid " " and resid 1890 and name H )) (( segid " " and resid 1929 and name HA )) ASSI { 1982} (( segid " " and resid 1889 and name H )) ( segid " " and resid 1885 and name HD2%) 4.000 2.000 2.000 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.75391E-03 ppm1 8.605 ppm2 0.939 CV 1 OR { 1982} (( segid " " and resid 1889 and name H )) ( segid " " and resid 1930 and name HD1%) OR { 1982} (( segid " " and resid 1889 and name H )) ( segid " " and resid 1931 and name HG2%) OR { 1982} (( segid " " and resid 1889 and name H )) ( segid " " and resid 1930 and name HD2%) OR { 1982} (( segid " " and resid 1889 and name H )) ( segid " " and resid 1868 and name HG1%) OR { 1982} (( segid " " and resid 1889 and name H )) ( segid " " and resid 1868 and name HG2%) ASSI { 1988} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1884 and name HG2 )) 3.600 1.600 1.600 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.83880E-03 ppm1 7.237 ppm2 2.125 CV 1 OR { 1988} (( segid " " and resid 1859 and name H )) (( segid " " and resid 1858 and name HB )) OR { 1988} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1871 and name HG2 )) ASSI { 1989} (( segid " " and resid 1886 and name H )) (( segid " " and resid 1882 and name HB3 )) 4.000 2.000 2.000 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.58008E-03 ppm1 8.457 ppm2 1.989 CV 1 OR { 1989} (( segid " " and resid 1886 and name H )) ( segid " " and resid 1827 and name HE% ) OR { 1989} (( segid " " and resid 1886 and name H )) (( segid " " and resid 1889 and name HB3 )) ASSI { 1990} (( segid " " and resid 1882 and name H )) (( segid " " and resid 1884 and name HD2 )) 4.000 2.000 2.000 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.54977E-03 ppm1 7.833 ppm2 3.712 CV 1 OR { 1990} (( segid " " and resid 1882 and name H )) (( segid " " and resid 1875 and name HA )) OR { 1990} (( segid " " and resid 1882 and name H )) (( segid " " and resid 1871 and name HA )) ASSI { 1992} (( segid " " and resid 1883 and name H )) ( segid " " and resid 1882 and name HD2%) 4.300 2.300 1.700 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.64072E-03 ppm1 7.793 ppm2 0.920 CV 1 OR { 1992} (( segid " " and resid 1883 and name H )) ( segid " " and resid 1882 and name HD1%) OR { 1992} (( segid " " and resid 1883 and name H )) ( segid " " and resid 1885 and name HD2%) ASSI { 1994} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1879 and name HA )) 3.100 1.200 1.200 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.14755E-02 ppm1 9.462 ppm2 3.908 CV 1 OR { 1994} (( segid " " and resid 1880 and name H )) (( segid " " and resid 1878 and name HB2 )) ASSI { 1996} (( segid " " and resid 1877 and name H )) (( segid " " and resid 1874 and name HA )) 3.500 1.500 1.500 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.96007E-03 ppm1 7.602 ppm2 4.200 CV 1 OR { 1996} (( segid " " and resid 1877 and name H )) (( segid " " and resid 1877 and name HB )) ASSI { 2000} (( segid " " and resid 1876 and name H )) ( segid " " and resid 1882 and name HD2%) 4.300 2.300 1.700 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.48913E-03 ppm1 7.089 ppm2 0.924 CV 1 OR { 2000} (( segid " " and resid 1876 and name H )) ( segid " " and resid 1882 and name HD1%) OR { 2000} (( segid " " and resid 1876 and name H )) ( segid " " and resid 1937 and name HD1%) ASSI { 2001} (( segid " " and resid 1878 and name H )) ( segid " " and resid 1882 and name HD2%) 4.500 2.600 1.500 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.30520E-03 ppm1 8.696 ppm2 0.940 CV 1 OR { 2001} (( segid " " and resid 1878 and name H )) ( segid " " and resid 1882 and name HD1%) OR { 2001} (( segid " " and resid 1878 and name H )) ( segid " " and resid 1937 and name HD1%) ASSI { 2003} (( segid " " and resid 1854 and name H )) ( segid " " and resid 1968 and name HD1%) 3.700 1.700 1.700 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.15139E-02 ppm1 8.839 ppm2 0.906 CV 1 OR { 2003} (( segid " " and resid 1874 and name H )) ( segid " " and resid 1882 and name HD2%) OR { 2003} (( segid " " and resid 1874 and name H )) ( segid " " and resid 1872 and name HG1%) OR { 2003} (( segid " " and resid 1854 and name H )) ( segid " " and resid 1851 and name HG2%) ASSI { 2005} (( segid " " and resid 1873 and name H )) (( segid " " and resid 1870 and name HB2 )) 4.900 3.000 1.100 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.28499E-03 ppm1 8.175 ppm2 2.071 CV 1 OR { 2005} (( segid " " and resid 1873 and name H )) (( segid " " and resid 1871 and name HG2 )) OR { 2005} (( segid " " and resid 1860 and name H )) (( segid " " and resid 1858 and name HB )) ASSI { 2006} (( segid " " and resid 1873 and name H )) ( segid " " and resid 1873 and name HG2%) 3.300 1.400 1.400 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.29489E-02 ppm1 8.180 ppm2 1.178 CV 1 OR { 2006} (( segid " " and resid 1946 and name H )) ( segid " " and resid 1946 and name HG2%) OR { 2006} (( segid " " and resid 1860 and name H )) ( segid " " and resid 1860 and name HG2%) ASSI { 2007} (( segid " " and resid 1873 and name H )) ( segid " " and resid 1872 and name HG1%) 2.800 1.000 1.000 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.28297E-02 ppm1 8.179 ppm2 0.907 CV 1 OR { 2007} (( segid " " and resid 1860 and name H )) ( segid " " and resid 1896 and name HD2%) ASSI { 2008} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1871 and name HG2 )) 2.900 1.100 1.100 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.23122E-02 ppm1 8.462 ppm2 2.082 CV 1 OR { 2008} (( segid " " and resid 1871 and name H )) (( segid " " and resid 1870 and name HB2 )) ASSI { 2009} (( segid " " and resid 1870 and name H )) (( segid " " and resid 1871 and name HB3 )) 5.500 3.800 0.500 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.28095E-03 ppm1 8.338 ppm2 1.841 CV 1 OR { 2009} (( segid " " and resid 1870 and name H )) (( segid " " and resid 1885 and name HB2 )) OR { 2009} (( segid " " and resid 1870 and name H )) (( segid " " and resid 1885 and name HG )) ASSI { 2010} (( segid " " and resid 1870 and name H )) ( segid " " and resid 1866 and name HG1%) 4.900 3.000 1.100 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.20212E-03 ppm1 8.336 ppm2 1.036 CV 1 OR { 2010} (( segid " " and resid 1957 and name H )) ( segid " " and resid 1923 and name HD2%) OR { 2010} (( segid " " and resid 1870 and name H )) ( segid " " and resid 1889 and name HD1%) OR { 2010} (( segid " " and resid 1957 and name H )) ( segid " " and resid 1961 and name HG2%) ASSI { 2011} (( segid " " and resid 1870 and name H )) ( segid " " and resid 1866 and name HG2%) 3.500 1.500 1.500 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.21849E-02 ppm1 8.338 ppm2 0.923 CV 1 OR { 2011} (( segid " " and resid 1870 and name H )) ( segid " " and resid 1868 and name HG1%) OR { 2011} (( segid " " and resid 1870 and name H )) ( segid " " and resid 1872 and name HG1%) OR { 2011} (( segid " " and resid 1870 and name H )) ( segid " " and resid 1885 and name HD2%) ASSI { 2013} (( segid " " and resid 1869 and name H )) ( segid " " and resid 1864 and name HD1%) 5.200 3.400 0.800 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.23042E-03 ppm1 7.530 ppm2 0.751 CV 1 OR { 2013} (( segid " " and resid 1869 and name H )) ( segid " " and resid 1957 and name HG1%) OR { 2013} (( segid " " and resid 1869 and name H )) ( segid " " and resid 1885 and name HD1%) ASSI { 2014} (( segid " " and resid 1868 and name H )) ( segid " " and resid 1957 and name HG1%) 4.400 2.400 1.600 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.59626E-03 ppm1 8.455 ppm2 0.802 CV 1 OR { 2014} (( segid " " and resid 1868 and name H )) ( segid " " and resid 1864 and name HG2%) ASSI { 2015} (( segid " " and resid 1865 and name H )) ( segid " " and resid 1861 and name HB% ) 4.600 2.600 1.400 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.32946E-03 ppm1 7.793 ppm2 1.358 CV 1 OR { 2015} (( segid " " and resid 1865 and name H )) (( segid " " and resid 1862 and name HG2 )) ASSI { 2016} (( segid " " and resid 1862 and name H )) (( segid " " and resid 1862 and name HD2 )) 3.800 1.800 1.800 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.19687E-02 ppm1 8.266 ppm2 1.546 CV 1 OR { 2016} (( segid " " and resid 1862 and name H )) ( segid " " and resid 1863 and name HB% ) OR { 2016} (( segid " " and resid 1862 and name H )) (( segid " " and resid 1862 and name HD3 )) ASSI { 2017} (( segid " " and resid 1863 and name H )) (( segid " " and resid 1862 and name HG2 )) 4.100 2.100 1.900 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.85902E-03 ppm1 7.645 ppm2 1.359 CV 1 OR { 2017} (( segid " " and resid 1863 and name H )) ( segid " " and resid 1861 and name HB% ) ASSI { 2018} (( segid " " and resid 1861 and name H )) ( segid " " and resid 1858 and name HG1%) 4.200 2.200 1.800 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.71149E-03 ppm1 8.930 ppm2 1.011 CV 1 OR { 2018} (( segid " " and resid 1861 and name H )) ( segid " " and resid 1923 and name HD1%) OR { 2018} (( segid " " and resid 1861 and name H )) ( segid " " and resid 1961 and name HG2%) OR { 2018} (( segid " " and resid 1861 and name H )) ( segid " " and resid 1964 and name HG2%) OR { 2018} (( segid " " and resid 1861 and name H )) ( segid " " and resid 1920 and name HG2%) ASSI { 2019} (( segid " " and resid 1858 and name H )) (( segid " " and resid 1858 and name HB )) 2.900 1.100 1.100 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.54633E-02 ppm1 8.524 ppm2 2.096 CV 1 OR { 2019} (( segid " " and resid 1858 and name H )) (( segid " " and resid 1854 and name HG2 )) ASSI { 2020} (( segid " " and resid 1858 and name H )) (( segid " " and resid 1857 and name HB2 )) 3.200 1.200 1.200 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.12087E-02 ppm1 8.524 ppm2 1.891 CV 1 OR { 2020} (( segid " " and resid 1858 and name H )) (( segid " " and resid 1857 and name HB3 )) OR { 2020} (( segid " " and resid 1858 and name H )) (( segid " " and resid 1859 and name HB2 )) ASSI { 2021} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1884 and name HG2 )) 2.900 1.100 1.100 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.31895E-02 ppm1 7.192 ppm2 2.098 CV 1 OR { 2021} (( segid " " and resid 1859 and name H )) (( segid " " and resid 1858 and name HB )) OR { 2021} (( segid " " and resid 1853 and name H )) (( segid " " and resid 1854 and name HB3 )) OR { 2021} (( segid " " and resid 1885 and name H )) (( segid " " and resid 1871 and name HG2 )) ASSI { 2022} (( segid " " and resid 1853 and name H )) (( segid " " and resid 1854 and name HB2 )) 4.600 2.600 1.400 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.52349E-03 ppm1 7.189 ppm2 1.275 CV 1 OR { 2022} (( segid " " and resid 1853 and name H )) ( segid " " and resid 1903 and name HB% ) ASSI { 2023} (( segid " " and resid 1856 and name H )) (( segid " " and resid 1857 and name HB2 )) 4.800 2.800 1.200 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.37999E-03 ppm1 7.456 ppm2 1.908 CV 1 OR { 2023} (( segid " " and resid 1856 and name H )) (( segid " " and resid 1859 and name HB2 )) OR { 2023} (( segid " " and resid 1856 and name H )) (( segid " " and resid 1857 and name HB3 )) ASSI { 2024} (( segid " " and resid 1845 and name H )) (( segid " " and resid 1844 and name HA3 )) 2.400 0.700 0.700 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.88734E-02 ppm1 8.262 ppm2 3.888 CV 1 OR { 2024} (( segid " " and resid 1845 and name H )) (( segid " " and resid 1844 and name HA2 )) OR { 2024} (( segid " " and resid 1867 and name H )) (( segid " " and resid 1864 and name HA )) ASSI { 2031} (( segid " " and resid 1887 and name H )) ( segid " " and resid 1931 and name HG1%) 4.100 2.100 1.900 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.79838E-03 ppm1 8.227 ppm2 0.950 CV 1 OR { 2031} (( segid " " and resid 1887 and name H )) ( segid " " and resid 1824 and name HG2%) OR { 2031} (( segid " " and resid 1887 and name H )) ( segid " " and resid 1885 and name HD2%) OR { 2031} (( segid " " and resid 1837 and name H )) ( segid " " and resid 1838 and name HD1%) OR { 2031} (( segid " " and resid 1837 and name H )) ( segid " " and resid 1838 and name HD2%) OR { 2031} (( segid " " and resid 1837 and name H )) ( segid " " and resid 1897 and name HB% ) ASSI { 2033} (( segid " " and resid 1834 and name H )) ( segid " " and resid 1897 and name HB% ) 5.100 3.200 0.900 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.61445E-03 ppm1 7.769 ppm2 0.974 CV 1 OR { 2033} (( segid " " and resid 1834 and name H )) (( segid " " and resid 1835 and name HG12)) ASSI { 2034} (( segid " " and resid 1834 and name H )) ( segid " " and resid 1835 and name HG2%) 5.200 3.400 0.800 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.30116E-03 ppm1 7.772 ppm2 0.793 CV 1 OR { 2034} (( segid " " and resid 1834 and name H )) ( segid " " and resid 1920 and name HG1%) ASSI { 2037} (( segid " " and resid 1816 and name H )) (( segid " " and resid 1816 and name HB2 )) 3.000 1.100 1.100 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.31288E-02 ppm1 8.374 ppm2 2.052 CV 1 OR { 2037} (( segid " " and resid 1829 and name H )) (( segid " " and resid 1828 and name HB )) ASSI { 2045} (( segid " " and resid 1854 and name HE21)) ( segid " " and resid 1858 and name HG2%) 4.100 2.100 1.900 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.73775E-03 ppm1 7.290 ppm2 0.840 CV 1 OR { 2045} (( segid " " and resid 1854 and name HE21)) ( segid " " and resid 1912 and name HG2%) OR { 2045} (( segid " " and resid 1869 and name HE21)) ( segid " " and resid 1872 and name HG2%) OR { 2045} (( segid " " and resid 1854 and name HE21)) ( segid " " and resid 1965 and name HD2%) ASSI { 2046} (( segid " " and resid 1869 and name HE22)) ( segid " " and resid 1872 and name HG1%) 4.400 2.400 1.600 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.59424E-03 ppm1 6.790 ppm2 0.913 CV 1 OR { 2046} (( segid " " and resid 1869 and name HE22)) ( segid " " and resid 1866 and name HG2%) ASSI { 2048} (( segid " " and resid 1888 and name HE22)) ( segid " " and resid 1866 and name HG2%) 3.200 1.300 1.300 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.55785E-03 ppm1 6.748 ppm2 0.928 CV 1 OR { 2048} (( segid " " and resid 1888 and name HE22)) ( segid " " and resid 1885 and name HD2%) OR { 2048} (( segid " " and resid 1836 and name HD22)) (( segid " " and resid 1835 and name HG12)) ASSI { 2049} (( segid " " and resid 1888 and name HE21)) ( segid " " and resid 1866 and name HG2%) 3.300 3.300 2.700 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.52754E-03 ppm1 7.677 ppm2 0.927 CV 1 OR { 2049} (( segid " " and resid 1888 and name HE21)) ( segid " " and resid 1885 and name HD2%) ASSI { 2050} (( segid " " and resid 1938 and name HE21)) (( segid " " and resid 1938 and name HA )) 3.700 1.700 1.700 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.46892E-03 ppm1 6.672 ppm2 3.703 CV 1 OR { 2050} (( segid " " and resid 1938 and name HE21)) (( segid " " and resid 1935 and name HA2 )) ASSI { 2060} (( segid " " and resid 1876 and name HD21)) (( segid " " and resid 1951 and name HG12)) 3.300 1.400 1.400 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.17827E-02 ppm1 7.471 ppm2 1.178 CV 1 OR { 2060} (( segid " " and resid 1876 and name HD21)) ( segid " " and resid 1877 and name HG2%) ASSI { 2064} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1942 and name HB3 )) 4.100 2.100 1.900 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.43456E-03 ppm1 7.468 ppm2 3.912 CV 1 OR { 2064} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1934 and name HA )) OR { 2064} (( segid " " and resid 1940 and name H )) (( segid " " and resid 1879 and name HA )) ASSI { 2065} (( segid " " and resid 1888 and name HE22)) (( segid " " and resid 1864 and name HA )) 3.700 1.700 1.700 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.26276E-03 ppm1 6.793 ppm2 3.911 CV 1 OR { 2065} (( segid " " and resid 1888 and name HE22)) (( segid " " and resid 1888 and name HA )) OR { 2065} (( segid " " and resid 1888 and name HE22)) (( segid " " and resid 1891 and name HB3 )) OR { 2065} (( segid " " and resid 1836 and name HD22)) (( segid " " and resid 1928 and name HB3 )) OR { 2065} (( segid " " and resid 1888 and name HE22)) (( segid " " and resid 1860 and name HA ))
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