NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
23035 | 2jsw | 15411 | cing | 1-original | 6 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2} (( segid " " and resid 2295 and name HA )) (( segid " " and resid 2295 and name HG13)) 3.200 1.300 1.300 peak 2 spectrum 1 weight 0.10000E+01 volume 0.17640E-02 ppm1 4.307 ppm2 1.261 CV 1 ASSI { 3} (( segid " " and resid 2295 and name HA )) (( segid " " and resid 2295 and name HG12)) 3.200 1.300 1.300 peak 3 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 4.299 ppm2 1.527 CV 1 ASSI { 6} (( segid " " and resid 2295 and name HB )) (( segid " " and resid 2295 and name HG12)) 3.300 1.400 1.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 1.908 ppm2 1.512 CV 1 ASSI { 8} (( segid " " and resid 2295 and name HG12)) ( segid " " and resid 2295 and name HD1%) 3.900 1.900 1.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.42826E-03 ppm1 1.502 ppm2 0.951 CV 1 OR { 8} (( segid " " and resid 2295 and name HG12)) ( segid " " and resid 2295 and name HG2%) ASSI { 9} (( segid " " and resid 2295 and name HG13)) (( segid " " and resid 2295 and name HG12)) 1.900 0.400 0.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.13857E-01 ppm1 1.224 ppm2 1.509 CV 1 ASSI { 12} ( segid " " and resid 2345 and name HD1%) ( segid " " and resid 2424 and name HD1%) 3.500 1.500 1.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.10808E-02 ppm1 0.669 ppm2 0.897 CV 1 ASSI { 14} ( segid " " and resid 2345 and name HD1%) ( segid " " and resid 2470 and name HD1%) 3.100 1.200 1.200 peak 14 spectrum 1 weight 0.10000E+01 volume 0.15397E-02 ppm1 0.670 ppm2 1.063 CV 1 ASSI { 15} ( segid " " and resid 2345 and name HD1%) (( segid " " and resid 2345 and name HG13)) 2.300 0.700 0.700 peak 15 spectrum 1 weight 0.10000E+01 volume 0.58834E-02 ppm1 0.670 ppm2 1.294 CV 1 ASSI { 18} ( segid " " and resid 2345 and name HD1%) (( segid " " and resid 2470 and name HG )) 2.700 0.900 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.17232E-02 ppm1 0.670 ppm2 1.787 CV 1 ASSI { 19} ( segid " " and resid 2345 and name HD1%) (( segid " " and resid 2345 and name HB )) 3.300 1.300 1.300 peak 19 spectrum 1 weight 0.10000E+01 volume 0.31813E-02 ppm1 0.671 ppm2 1.933 CV 1 ASSI { 20} ( segid " " and resid 2345 and name HD1%) (( segid " " and resid 2345 and name HA )) 2.300 0.700 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.48026E-02 ppm1 0.670 ppm2 3.677 CV 1 ASSI { 21} ( segid " " and resid 2345 and name HD1%) (( segid " " and resid 2474 and name HA )) 3.200 1.300 1.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.30590E-02 ppm1 0.669 ppm2 4.234 CV 1 ASSI { 23} ( segid " " and resid 2345 and name HD1%) (( segid " " and resid 2345 and name H )) 3.400 1.500 1.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.17640E-02 ppm1 0.672 ppm2 8.312 CV 1 ASSI { 24} ( segid " " and resid 2345 and name HD1%) (( segid " " and resid 2346 and name H )) 4.100 2.100 1.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 0.668 ppm2 8.095 CV 1 ASSI { 27} (( segid " " and resid 2408 and name HA )) ( segid " " and resid 2411 and name HB% ) 2.800 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.30998E-02 ppm1 4.068 ppm2 1.381 CV 1 ASSI { 34} (( segid " " and resid 2415 and name HA )) ( segid " " and resid 2415 and name HG1%) 2.700 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.41704E-02 ppm1 3.967 ppm2 1.079 CV 1 ASSI { 37} (( segid " " and resid 2408 and name HA )) ( segid " " and resid 2323 and name HD2%) 3.300 1.400 1.400 peak 37 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 4.068 ppm2 0.938 CV 1 OR { 37} (( segid " " and resid 2408 and name HA )) ( segid " " and resid 2323 and name HD1%) ASSI { 40} (( segid " " and resid 2303 and name HA )) (( segid " " and resid 2303 and name H )) 2.500 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.54552E-02 ppm1 3.997 ppm2 7.536 CV 1 ASSI { 41} (( segid " " and resid 2444 and name HB )) (( segid " " and resid 2444 and name HA )) 2.400 0.700 0.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.78311E-02 ppm1 2.301 ppm2 4.010 CV 1 ASSI { 42} (( segid " " and resid 2399 and name HB3 )) (( segid " " and resid 2399 and name HB2 )) 1.800 0.400 0.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.11175E-01 ppm1 2.299 ppm2 2.457 CV 1 ASSI { 43} (( segid " " and resid 2444 and name HB )) ( segid " " and resid 2444 and name HG1%) 2.300 0.700 0.700 peak 43 spectrum 1 weight 0.10000E+01 volume 0.59038E-02 ppm1 2.300 ppm2 1.102 CV 1 ASSI { 48} (( segid " " and resid 2371 and name HB )) ( segid " " and resid 2371 and name HG2%) 2.500 0.800 0.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.54552E-02 ppm1 2.275 ppm2 1.089 CV 1 ASSI { 49} (( segid " " and resid 2471 and name HB )) ( segid " " and resid 2471 and name HG1%) 2.600 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.35994E-02 ppm1 2.340 ppm2 1.019 CV 1 ASSI { 52} ( segid " " and resid 2303 and name HG2%) ( segid " " and resid 2303 and name HG1%) 2.500 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.67501E-02 ppm1 1.109 ppm2 1.020 CV 1 ASSI { 53} ( segid " " and resid 2303 and name HG2%) (( segid " " and resid 2303 and name HB )) 2.300 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.79329E-02 ppm1 1.109 ppm2 2.314 CV 1 ASSI { 55} ( segid " " and resid 2303 and name HG2%) (( segid " " and resid 2303 and name HA )) 2.400 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.82691E-02 ppm1 1.108 ppm2 3.999 CV 1 ASSI { 57} ( segid " " and resid 2303 and name HG2%) (( segid " " and resid 2303 and name H )) 2.500 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.63219E-02 ppm1 1.108 ppm2 7.538 CV 1 ASSI { 64} (( segid " " and resid 2304 and name HB )) (( segid " " and resid 2304 and name H )) 2.500 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.49147E-02 ppm1 2.021 ppm2 7.704 CV 1 ASSI { 65} (( segid " " and resid 2304 and name HB )) (( segid " " and resid 2305 and name H )) 2.700 0.900 0.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.32527E-02 ppm1 2.019 ppm2 8.016 CV 1 ASSI { 67} ( segid " " and resid 2304 and name HD1%) (( segid " " and resid 2304 and name H )) 3.800 1.800 1.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 0.897 ppm2 7.703 CV 1 ASSI { 68} ( segid " " and resid 2304 and name HD1%) (( segid " " and resid 2301 and name HA )) 2.700 0.900 0.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.39257E-02 ppm1 0.897 ppm2 4.394 CV 1 ASSI { 69} ( segid " " and resid 2304 and name HD1%) (( segid " " and resid 2299 and name HB )) 3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.14071E-02 ppm1 0.898 ppm2 4.230 CV 1 ASSI { 70} ( segid " " and resid 2304 and name HD1%) (( segid " " and resid 2304 and name HA )) 3.500 1.500 1.500 peak 70 spectrum 1 weight 0.10000E+01 volume 0.27429E-02 ppm1 0.895 ppm2 4.068 CV 1 ASSI { 72} ( segid " " and resid 2304 and name HD1%) (( segid " " and resid 2304 and name HG12)) 2.500 0.800 0.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.62403E-02 ppm1 0.897 ppm2 1.576 CV 1 ASSI { 73} ( segid " " and resid 2304 and name HD1%) (( segid " " and resid 2304 and name HG13)) 2.400 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.74841E-02 ppm1 0.897 ppm2 1.291 CV 1 ASSI { 75} ( segid " " and resid 2304 and name HG2%) ( segid " " and resid 2304 and name HD1%) 2.800 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.37626E-02 ppm1 1.019 ppm2 0.902 CV 1 ASSI { 76} ( segid " " and resid 2304 and name HG2%) (( segid " " and resid 2304 and name HG13)) 3.000 1.200 1.200 peak 76 spectrum 1 weight 0.10000E+01 volume 0.49658E-02 ppm1 1.016 ppm2 1.302 CV 1 ASSI { 77} ( segid " " and resid 2379 and name HG2%) ( segid " " and resid 2381 and name HB% ) 3.200 1.300 1.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 1.002 ppm2 1.493 CV 1 ASSI { 79} ( segid " " and resid 2304 and name HG2%) (( segid " " and resid 2304 and name HB )) 2.200 0.600 0.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.10380E-01 ppm1 1.013 ppm2 1.995 CV 1 ASSI { 80} ( segid " " and resid 2304 and name HG2%) (( segid " " and resid 2308 and name HG3 )) 3.200 1.200 1.200 peak 80 spectrum 1 weight 0.10000E+01 volume 0.24370E-02 ppm1 1.019 ppm2 2.484 CV 1 ASSI { 81} ( segid " " and resid 2304 and name HG2%) (( segid " " and resid 2308 and name HG2 )) 2.700 0.900 0.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.28142E-02 ppm1 1.020 ppm2 2.337 CV 1 ASSI { 82} ( segid " " and resid 2304 and name HG2%) (( segid " " and resid 2304 and name HA )) 2.500 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.61995E-02 ppm1 1.019 ppm2 4.066 CV 1 ASSI { 86} ( segid " " and resid 2379 and name HG2%) (( segid " " and resid 2382 and name H )) 3.000 3.000 3.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 1.004 ppm2 8.100 CV 1 ASSI { 87} ( segid " " and resid 2304 and name HG2%) (( segid " " and resid 2305 and name H )) 3.600 1.600 1.600 peak 87 spectrum 1 weight 0.10000E+01 volume 0.14887E-02 ppm1 1.019 ppm2 8.017 CV 1 ASSI { 89} (( segid " " and resid 2345 and name HG13)) (( segid " " and resid 2345 and name H )) 3.700 1.700 1.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.30896E-02 ppm1 1.293 ppm2 8.306 CV 1 ASSI { 90} (( segid " " and resid 2304 and name HG13)) (( segid " " and resid 2304 and name H )) 2.500 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.32833E-02 ppm1 1.298 ppm2 7.704 CV 1 ASSI { 91} (( segid " " and resid 2304 and name HG13)) (( segid " " and resid 2304 and name HG12)) 1.800 0.400 0.400 peak 91 spectrum 1 weight 0.10000E+01 volume 0.15264E-01 ppm1 1.296 ppm2 1.578 CV 1 ASSI { 97} (( segid " " and resid 2304 and name HG12)) (( segid " " and resid 2304 and name HB )) 2.900 1.000 1.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.36504E-02 ppm1 1.577 ppm2 2.019 CV 1 ASSI { 98} (( segid " " and resid 2304 and name HG12)) (( segid " " and resid 2304 and name H )) 3.000 1.100 1.100 peak 98 spectrum 1 weight 0.10000E+01 volume 0.43845E-02 ppm1 1.580 ppm2 7.703 CV 1 ASSI { 99} (( segid " " and resid 2411 and name HA )) (( segid " " and resid 2411 and name H )) 2.500 0.800 0.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.68827E-02 ppm1 4.010 ppm2 8.873 CV 1 ASSI { 100} (( segid " " and resid 2320 and name HA )) (( segid " " and resid 2320 and name H )) 2.300 0.700 0.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.79128E-02 ppm1 4.005 ppm2 8.552 CV 1 ASSI { 102} (( segid " " and resid 2432 and name HA )) (( segid " " and resid 2432 and name H )) 2.400 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.71988E-02 ppm1 4.022 ppm2 8.016 CV 1 ASSI { 103} (( segid " " and resid 2305 and name HA )) (( segid " " and resid 2305 and name H )) 2.500 0.800 0.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.58936E-02 ppm1 4.000 ppm2 8.018 CV 1 ASSI { 106} (( segid " " and resid 2401 and name HA )) ( segid " " and resid 2404 and name HG2%) 3.500 1.500 1.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.11318E-02 ppm1 4.028 ppm2 1.372 CV 1 ASSI { 112} ( segid " " and resid 2305 and name HB% ) (( segid " " and resid 2305 and name H )) 2.400 0.700 0.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.67193E-02 ppm1 1.465 ppm2 8.016 CV 1 ASSI { 115} (( segid " " and resid 2437 and name HB3 )) (( segid " " and resid 2437 and name HA )) 2.600 0.800 0.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.89121E-02 ppm1 2.238 ppm2 4.152 CV 1 ASSI { 122} (( segid " " and resid 2324 and name HG3 )) (( segid " " and resid 2324 and name H )) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.85752E-02 ppm1 2.410 ppm2 7.747 CV 1 ASSI { 125} (( segid " " and resid 2307 and name HB2 )) ( segid " " and resid 2304 and name HG2%) 3.400 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.88713E-03 ppm1 2.914 ppm2 1.025 CV 1 ASSI { 126} (( segid " " and resid 2307 and name HB2 )) (( segid " " and resid 2304 and name HA )) 2.800 1.000 1.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.30590E-02 ppm1 2.910 ppm2 4.068 CV 1 ASSI { 127} (( segid " " and resid 2307 and name HB2 )) (( segid " " and resid 2307 and name HA )) 2.600 0.900 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.80146E-02 ppm1 2.910 ppm2 4.572 CV 1 ASSI { 128} (( segid " " and resid 2307 and name HB2 )) (( segid " " and resid 2307 and name HB3 )) 1.600 0.300 0.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.31599E-01 ppm1 2.910 ppm2 3.052 CV 1 ASSI { 129} (( segid " " and resid 2307 and name HB2 )) (( segid " " and resid 2307 and name HD22)) 3.700 1.700 1.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.22738E-02 ppm1 2.913 ppm2 6.906 CV 1 ASSI { 130} (( segid " " and resid 2307 and name HB2 )) (( segid " " and resid 2307 and name HD21)) 2.500 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.35178E-02 ppm1 2.912 ppm2 7.625 CV 1 ASSI { 131} (( segid " " and resid 2307 and name HB2 )) (( segid " " and resid 2307 and name H )) 2.400 0.700 0.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.53532E-02 ppm1 2.911 ppm2 8.254 CV 1 ASSI { 132} (( segid " " and resid 2307 and name HB2 )) (( segid " " and resid 2308 and name H )) 2.700 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.28653E-02 ppm1 2.909 ppm2 8.586 CV 1 ASSI { 134} (( segid " " and resid 2307 and name HB3 )) (( segid " " and resid 2307 and name H )) 3.000 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.78820E-02 ppm1 3.053 ppm2 8.254 CV 1 ASSI { 135} (( segid " " and resid 2307 and name HB3 )) (( segid " " and resid 2307 and name HD21)) 3.000 1.200 1.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.36606E-02 ppm1 3.046 ppm2 7.632 CV 1 ASSI { 137} (( segid " " and resid 2307 and name HB3 )) (( segid " " and resid 2307 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.58222E-02 ppm1 3.054 ppm2 4.573 CV 1 ASSI { 138} (( segid " " and resid 2307 and name HB3 )) (( segid " " and resid 2304 and name HA )) 3.500 1.600 1.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.38441E-02 ppm1 3.055 ppm2 4.062 CV 1 ASSI { 140} (( segid " " and resid 2307 and name HB3 )) ( segid " " and resid 2304 and name HG2%) 4.300 2.300 1.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.81573E-03 ppm1 3.052 ppm2 1.022 CV 1 ASSI { 141} (( segid " " and resid 2308 and name HA )) ( segid " " and resid 2394 and name HG2%) 4.200 2.200 1.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.11216E-02 ppm1 4.238 ppm2 0.875 CV 1 ASSI { 144} (( segid " " and resid 2423 and name HA )) (( segid " " and resid 2423 and name HD2 )) 3.700 1.700 1.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.25288E-02 ppm1 4.231 ppm2 1.807 CV 1 OR { 144} (( segid " " and resid 2423 and name HA )) (( segid " " and resid 2423 and name HD3 )) ASSI { 148} (( segid " " and resid 2423 and name HA )) (( segid " " and resid 2423 and name H )) 2.500 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.59038E-02 ppm1 4.234 ppm2 7.937 CV 1 ASSI { 149} (( segid " " and resid 2308 and name HA )) (( segid " " and resid 2308 and name H )) 2.300 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.87487E-02 ppm1 4.240 ppm2 8.589 CV 1 ASSI { 152} (( segid " " and resid 2337 and name HB3 )) (( segid " " and resid 2337 and name HB2 )) 1.500 0.300 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.62179E-01 ppm1 2.203 ppm2 2.077 CV 1 ASSI { 153} (( segid " " and resid 2316 and name HG12)) (( segid " " and resid 2316 and name HG13)) 2.100 0.600 0.600 peak 153 spectrum 1 weight 0.10000E+01 volume 0.37014E-02 ppm1 2.083 ppm2 1.011 CV 1 ASSI { 154} (( segid " " and resid 2352 and name HG13)) (( segid " " and resid 2352 and name HG12)) 2.500 0.800 0.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 2.073 ppm2 0.978 CV 1 OR { 154} (( segid " " and resid 2352 and name HG13)) ( segid " " and resid 2352 and name HD1%) ASSI { 162} (( segid " " and resid 2317 and name HG2 )) (( segid " " and resid 2317 and name HG3 )) 1.600 0.300 0.600 peak 162 spectrum 1 weight 0.10000E+01 volume 0.26460E-01 ppm1 2.327 ppm2 2.561 CV 1 ASSI { 170} (( segid " " and resid 2391 and name HA )) (( segid " " and resid 2394 and name HB )) 2.300 0.700 0.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.76985E-02 ppm1 4.048 ppm2 1.904 CV 1 ASSI { 177} (( segid " " and resid 2309 and name HB3 )) ( segid " " and resid 2309 and name HD1%) 3.300 1.400 1.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 1.560 ppm2 0.848 CV 1 OR { 177} (( segid " " and resid 2309 and name HB3 )) ( segid " " and resid 2309 and name HD2%) ASSI { 179} (( segid " " and resid 2309 and name HB3 )) (( segid " " and resid 2309 and name HB2 )) 1.900 0.500 0.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.82899E-02 ppm1 1.559 ppm2 2.064 CV 1 ASSI { 180} (( segid " " and resid 2309 and name HB3 )) (( segid " " and resid 2309 and name HA )) 2.900 1.000 1.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 1.555 ppm2 4.056 CV 1 ASSI { 181} (( segid " " and resid 2309 and name HB3 )) (( segid " " and resid 2309 and name H )) 3.600 1.600 1.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.22432E-02 ppm1 1.555 ppm2 8.553 CV 1 ASSI { 182} (( segid " " and resid 2309 and name HB3 )) (( segid " " and resid 2310 and name H )) 3.500 1.500 1.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 1.549 ppm2 8.349 CV 1 ASSI { 183} (( segid " " and resid 2309 and name HB2 )) (( segid " " and resid 2309 and name H )) 2.600 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.25594E-02 ppm1 2.067 ppm2 8.552 CV 1 ASSI { 184} (( segid " " and resid 2424 and name HB3 )) (( segid " " and resid 2420 and name H )) 3.000 3.000 3.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.27225E-02 ppm1 2.065 ppm2 8.346 CV 1 ASSI { 186} (( segid " " and resid 2439 and name HB2 )) (( segid " " and resid 2436 and name HA )) 3.000 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.39155E-02 ppm1 2.044 ppm2 4.181 CV 1 ASSI { 190} (( segid " " and resid 2309 and name HB2 )) ( segid " " and resid 2309 and name HD2%) 3.500 1.600 1.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.87688E-03 ppm1 2.063 ppm2 0.850 CV 1 OR { 190} (( segid " " and resid 2309 and name HB2 )) ( segid " " and resid 2309 and name HD1%) ASSI { 193} (( segid " " and resid 2309 and name HG )) ( segid " " and resid 2309 and name HD2%) 2.900 1.000 1.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.21821E-02 ppm1 1.765 ppm2 0.846 CV 1 OR { 193} (( segid " " and resid 2309 and name HG )) ( segid " " and resid 2309 and name HD1%) ASSI { 195} (( segid " " and resid 2309 and name HG )) (( segid " " and resid 2309 and name HA )) 2.500 0.800 0.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.75150E-02 ppm1 1.766 ppm2 4.038 CV 1 ASSI { 196} ( segid " " and resid 2309 and name HD2%) (( segid " " and resid 2309 and name HA )) 2.500 0.800 0.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.56795E-02 ppm1 0.838 ppm2 4.046 CV 1 ASSI { 198} ( segid " " and resid 2309 and name HD2%) ( segid " " and resid 2397 and name HB% ) 2.900 1.100 1.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.24064E-02 ppm1 0.837 ppm2 1.487 CV 1 ASSI { 200} ( segid " " and resid 2309 and name HD2%) (( segid " " and resid 2309 and name HB3 )) 3.000 1.100 1.100 peak 200 spectrum 1 weight 0.10000E+01 volume 0.16926E-02 ppm1 0.838 ppm2 1.574 CV 1 ASSI { 201} ( segid " " and resid 2309 and name HD1%) ( segid " " and resid 2397 and name HB% ) 3.400 1.500 1.500 peak 201 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 0.849 ppm2 1.488 CV 1 ASSI { 202} ( segid " " and resid 2309 and name HD1%) (( segid " " and resid 2309 and name HG )) 2.500 0.800 0.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.52206E-02 ppm1 0.850 ppm2 1.769 CV 1 ASSI { 203} ( segid " " and resid 2309 and name HD2%) (( segid " " and resid 2309 and name HG )) 2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.46496E-02 ppm1 0.838 ppm2 1.764 CV 1 ASSI { 205} ( segid " " and resid 2309 and name HD2%) (( segid " " and resid 2309 and name HB2 )) 3.500 1.500 1.500 peak 205 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 0.837 ppm2 2.074 CV 1 ASSI { 206} ( segid " " and resid 2309 and name HD1%) (( segid " " and resid 2309 and name HB2 )) 2.600 0.900 0.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.35892E-02 ppm1 0.850 ppm2 2.064 CV 1 ASSI { 208} ( segid " " and resid 2309 and name HD2%) (( segid " " and resid 2364 and name H )) 3.500 1.500 1.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 0.837 ppm2 8.248 CV 1 ASSI { 214} (( segid " " and resid 2310 and name HB3 )) (( segid " " and resid 2310 and name HA )) 2.600 0.800 0.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.42826E-02 ppm1 2.010 ppm2 4.200 CV 1 ASSI { 222} ( segid " " and resid 2310 and name HD2%) (( segid " " and resid 2310 and name H )) 3.200 1.300 1.300 peak 222 spectrum 1 weight 0.10000E+01 volume 0.31610E-02 ppm1 1.024 ppm2 8.344 CV 1 ASSI { 223} ( segid " " and resid 2384 and name HD1%) (( segid " " and resid 2385 and name HA )) 3.100 1.200 1.200 peak 223 spectrum 1 weight 0.10000E+01 volume 0.22229E-02 ppm1 1.024 ppm2 4.630 CV 1 ASSI { 224} ( segid " " and resid 2384 and name HD1%) (( segid " " and resid 2384 and name HA )) 2.800 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.36198E-02 ppm1 1.026 ppm2 4.376 CV 1 ASSI { 228} ( segid " " and resid 2310 and name HD2%) (( segid " " and resid 2310 and name HB3 )) 2.400 0.700 0.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.10777E-01 ppm1 1.030 ppm2 1.991 CV 1 ASSI { 230} ( segid " " and resid 2310 and name HD1%) (( segid " " and resid 2310 and name HB2 )) 2.300 0.700 0.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.10564E-01 ppm1 0.984 ppm2 1.643 CV 1 ASSI { 231} ( segid " " and resid 2310 and name HD1%) (( segid " " and resid 2310 and name HG )) 2.200 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.13297E-01 ppm1 0.984 ppm2 1.975 CV 1 ASSI { 232} ( segid " " and resid 2310 and name HD1%) (( segid " " and resid 2310 and name HA )) 2.300 0.700 0.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.11532E-01 ppm1 0.984 ppm2 4.200 CV 1 ASSI { 233} ( segid " " and resid 2310 and name HD1%) (( segid " " and resid 2310 and name H )) 3.100 1.200 1.200 peak 233 spectrum 1 weight 0.10000E+01 volume 0.14989E-02 ppm1 0.987 ppm2 8.340 CV 1 ASSI { 234} (( segid " " and resid 2311 and name HA2 )) (( segid " " and resid 2311 and name H )) 2.500 0.800 0.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.11491E-01 ppm1 3.991 ppm2 8.352 CV 1 ASSI { 235} (( segid " " and resid 2417 and name HA3 )) (( segid " " and resid 2417 and name HA2 )) 1.600 0.300 0.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.49861E-01 ppm1 3.999 ppm2 4.205 CV 1 ASSI { 237} (( segid " " and resid 2311 and name HA3 )) ( segid " " and resid 2314 and name HB% ) 3.700 1.700 1.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.21821E-02 ppm1 4.071 ppm2 1.639 CV 1 ASSI { 238} (( segid " " and resid 2387 and name HA2 )) (( segid " " and resid 2387 and name HA3 )) 1.800 0.400 0.400 peak 238 spectrum 1 weight 0.10000E+01 volume 0.17987E-01 ppm1 4.049 ppm2 4.208 CV 1 ASSI { 239} (( segid " " and resid 2311 and name HA3 )) (( segid " " and resid 2311 and name H )) 2.100 0.600 0.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.11247E-01 ppm1 4.072 ppm2 8.353 CV 1 ASSI { 241} (( segid " " and resid 2311 and name HA2 )) (( segid " " and resid 2312 and name H )) 3.000 1.100 1.100 peak 241 spectrum 1 weight 0.10000E+01 volume 0.60262E-02 ppm1 3.989 ppm2 8.112 CV 1 ASSI { 242} (( segid " " and resid 2362 and name HA )) (( segid " " and resid 2362 and name H )) 2.300 0.700 0.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.10564E-01 ppm1 4.351 ppm2 8.453 CV 1 ASSI { 246} ( segid " " and resid 2312 and name HB% ) ( segid " " and resid 2360 and name HG2%) 3.000 1.100 1.100 peak 246 spectrum 1 weight 0.10000E+01 volume 0.24574E-02 ppm1 1.560 ppm2 1.111 CV 1 ASSI { 251} ( segid " " and resid 2474 and name HB% ) (( segid " " and resid 2475 and name H )) 2.600 0.900 0.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.37320E-02 ppm1 1.570 ppm2 8.114 CV 1 ASSI { 252} ( segid " " and resid 2312 and name HB% ) (( segid " " and resid 2312 and name H )) 2.300 0.600 0.600 peak 252 spectrum 1 weight 0.10000E+01 volume 0.11013E-01 ppm1 1.559 ppm2 8.120 CV 1 ASSI { 253} ( segid " " and resid 2410 and name HB% ) (( segid " " and resid 2410 and name H )) 2.200 0.600 0.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.10900E-01 ppm1 1.564 ppm2 8.259 CV 1 ASSI { 254} ( segid " " and resid 2366 and name HB% ) (( segid " " and resid 2366 and name H )) 2.300 0.700 0.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.89932E-02 ppm1 1.576 ppm2 8.373 CV 1 ASSI { 255} ( segid " " and resid 2466 and name HB% ) (( segid " " and resid 2467 and name H )) 2.800 1.000 1.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.31405E-02 ppm1 1.563 ppm2 8.909 CV 1 ASSI { 256} ( segid " " and resid 2410 and name HB% ) (( segid " " and resid 2411 and name H )) 2.700 0.900 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.38747E-02 ppm1 1.561 ppm2 8.881 CV 1 ASSI { 260} (( segid " " and resid 2313 and name HA )) ( segid " " and resid 2316 and name HD1%) 2.800 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.29978E-02 ppm1 4.086 ppm2 0.853 CV 1 ASSI { 264} ( segid " " and resid 2313 and name HB% ) (( segid " " and resid 2360 and name HB )) 3.200 1.200 1.200 peak 264 spectrum 1 weight 0.10000E+01 volume 0.47108E-02 ppm1 1.636 ppm2 2.222 CV 1 ASSI { 265} ( segid " " and resid 2459 and name HB% ) (( segid " " and resid 2459 and name H )) 2.300 0.700 0.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.92792E-02 ppm1 1.625 ppm2 8.189 CV 1 ASSI { 267} ( segid " " and resid 2402 and name HB% ) (( segid " " and resid 2402 and name H )) 2.100 0.600 0.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.15937E-01 ppm1 1.620 ppm2 8.475 CV 1 ASSI { 268} ( segid " " and resid 2362 and name HB% ) (( segid " " and resid 2362 and name H )) 2.400 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.76375E-02 ppm1 1.626 ppm2 8.454 CV 1 ASSI { 269} ( segid " " and resid 2433 and name HB% ) (( segid " " and resid 2433 and name H )) 2.200 0.600 0.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.15050E-01 ppm1 1.620 ppm2 8.626 CV 1 ASSI { 272} (( segid " " and resid 2372 and name HA )) (( segid " " and resid 2372 and name H )) 2.100 0.600 0.600 peak 272 spectrum 1 weight 0.10000E+01 volume 0.18945E-01 ppm1 4.283 ppm2 8.334 CV 1 ASSI { 275} (( segid " " and resid 2396 and name HA )) (( segid " " and resid 2396 and name H )) 2.100 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.17242E-01 ppm1 4.278 ppm2 7.963 CV 1 ASSI { 281} ( segid " " and resid 2459 and name HB% ) (( segid " " and resid 2459 and name HA )) 2.300 0.600 0.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.10798E-01 ppm1 1.627 ppm2 4.399 CV 1 ASSI { 282} ( segid " " and resid 2362 and name HB% ) (( segid " " and resid 2362 and name HA )) 2.300 0.700 0.700 peak 282 spectrum 1 weight 0.10000E+01 volume 0.99516E-02 ppm1 1.626 ppm2 4.360 CV 1 ASSI { 285} ( segid " " and resid 2432 and name HB% ) (( segid " " and resid 2433 and name H )) 2.500 0.800 0.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.65564E-02 ppm1 1.657 ppm2 8.624 CV 1 ASSI { 287} ( segid " " and resid 2372 and name HB% ) (( segid " " and resid 2372 and name H )) 2.300 0.600 0.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.11074E-01 ppm1 1.654 ppm2 8.339 CV 1 ASSI { 288} ( segid " " and resid 2432 and name HB% ) (( segid " " and resid 2432 and name H )) 2.100 0.600 0.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.12725E-01 ppm1 1.658 ppm2 8.016 CV 1 ASSI { 290} ( segid " " and resid 2428 and name HB% ) (( segid " " and resid 2428 and name HA )) 2.100 0.600 0.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.15611E-01 ppm1 1.672 ppm2 4.036 CV 1 ASSI { 291} ( segid " " and resid 2383 and name HB% ) (( segid " " and resid 2380 and name HA )) 2.800 1.000 1.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.27225E-02 ppm1 1.581 ppm2 4.413 CV 1 ASSI { 292} ( segid " " and resid 2462 and name HB% ) (( segid " " and resid 2459 and name HA )) 2.300 0.700 0.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.10043E-01 ppm1 1.711 ppm2 4.401 CV 1 ASSI { 293} ( segid " " and resid 2383 and name HB% ) (( segid " " and resid 2383 and name HA )) 2.300 0.600 0.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.98398E-02 ppm1 1.578 ppm2 4.325 CV 1 ASSI { 295} ( segid " " and resid 2462 and name HB% ) (( segid " " and resid 2462 and name HA )) 2.100 0.600 0.600 peak 295 spectrum 1 weight 0.10000E+01 volume 0.15846E-01 ppm1 1.711 ppm2 4.276 CV 1 ASSI { 297} ( segid " " and resid 2474 and name HB% ) (( segid " " and resid 2474 and name HA )) 2.200 0.600 0.600 peak 297 spectrum 1 weight 0.10000E+01 volume 0.94218E-02 ppm1 1.573 ppm2 4.234 CV 1 ASSI { 300} ( segid " " and resid 2473 and name HB% ) (( segid " " and resid 2470 and name HA )) 2.100 0.600 0.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.14061E-01 ppm1 1.572 ppm2 4.092 CV 1 ASSI { 303} ( segid " " and resid 2320 and name HB% ) (( segid " " and resid 2320 and name HA )) 2.100 0.500 0.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.15132E-01 ppm1 1.576 ppm2 4.005 CV 1 ASSI { 304} ( segid " " and resid 2410 and name HB% ) (( segid " " and resid 2424 and name HA )) 2.500 0.800 0.800 peak 304 spectrum 1 weight 0.10000E+01 volume 0.54654E-02 ppm1 1.565 ppm2 3.973 CV 1 ASSI { 305} (( segid " " and resid 2314 and name HA )) (( segid " " and resid 2317 and name HB2 )) 2.600 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.48638E-02 ppm1 4.281 ppm2 2.214 CV 1 OR { 305} (( segid " " and resid 2314 and name HA )) (( segid " " and resid 2317 and name HB3 )) ASSI { 306} (( segid " " and resid 2365 and name HA )) (( segid " " and resid 2368 and name HB3 )) 2.300 0.700 0.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.81372E-02 ppm1 4.284 ppm2 2.061 CV 1 ASSI { 307} (( segid " " and resid 2462 and name HA )) (( segid " " and resid 2465 and name HB3 )) 2.300 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.72705E-02 ppm1 4.282 ppm2 1.989 CV 1 ASSI { 308} (( segid " " and resid 2396 and name HA )) (( segid " " and resid 2399 and name HB2 )) 2.600 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.78820E-02 ppm1 4.276 ppm2 2.461 CV 1 ASSI { 309} (( segid " " and resid 2316 and name HA )) (( segid " " and resid 2316 and name H )) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.33649E-02 ppm1 3.737 ppm2 8.153 CV 1 ASSI { 310} (( segid " " and resid 2316 and name HA )) (( segid " " and resid 2401 and name HA )) 3.400 1.500 1.500 peak 310 spectrum 1 weight 0.10000E+01 volume 0.32629E-02 ppm1 3.730 ppm2 4.070 CV 1 ASSI { 311} (( segid " " and resid 2316 and name HA )) (( segid " " and resid 2316 and name HG12)) 2.500 0.800 0.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.42622E-02 ppm1 3.734 ppm2 2.071 CV 1 OR { 311} (( segid " " and resid 2316 and name HA )) (( segid " " and resid 2316 and name HB )) ASSI { 312} (( segid " " and resid 2316 and name HA )) ( segid " " and resid 2319 and name HB% ) 2.800 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.32629E-02 ppm1 3.740 ppm2 1.685 CV 1 ASSI { 315} (( segid " " and resid 2425 and name HA )) ( segid " " and resid 2471 and name HG2%) 2.900 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 3.633 ppm2 1.224 CV 1 ASSI { 319} (( segid " " and resid 2425 and name HA )) (( segid " " and resid 2425 and name HG13)) 2.600 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.35077E-02 ppm1 3.632 ppm2 1.133 CV 1 OR { 319} (( segid " " and resid 2425 and name HA )) (( segid " " and resid 2425 and name HG12)) ASSI { 331} (( segid " " and resid 2316 and name HB )) (( segid " " and resid 2316 and name HA )) 3.100 1.200 1.200 peak 331 spectrum 1 weight 0.10000E+01 volume 0.18456E-02 ppm1 2.060 ppm2 3.738 CV 1 ASSI { 334} (( segid " " and resid 2316 and name HB )) (( segid " " and resid 2316 and name H )) 2.500 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.45273E-02 ppm1 2.058 ppm2 8.155 CV 1 ASSI { 335} (( segid " " and resid 2316 and name HB )) (( segid " " and resid 2317 and name H )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.26919E-02 ppm1 2.044 ppm2 8.344 CV 1 ASSI { 337} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2316 and name H )) 3.500 1.500 1.500 peak 337 spectrum 1 weight 0.10000E+01 volume 0.34056E-02 ppm1 0.852 ppm2 8.152 CV 1 ASSI { 338} ( segid " " and resid 2394 and name HD1%) (( segid " " and resid 2394 and name H )) 3.600 1.600 1.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.21719E-02 ppm1 0.856 ppm2 8.121 CV 1 ASSI { 339} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2401 and name H )) 3.500 1.500 1.500 peak 339 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 0.852 ppm2 8.346 CV 1 ASSI { 341} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2404 and name HB )) 3.600 1.600 1.600 peak 341 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 0.852 ppm2 4.391 CV 1 ASSI { 343} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2356 and name HB )) 2.400 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.44763E-02 ppm1 0.848 ppm2 4.142 CV 1 ASSI { 344} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2316 and name HA )) 3.900 1.900 1.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.19272E-02 ppm1 0.853 ppm2 3.738 CV 1 ASSI { 345} ( segid " " and resid 2394 and name HD1%) (( segid " " and resid 2394 and name HA )) 3.900 1.900 1.900 peak 345 spectrum 1 weight 0.10000E+01 volume 0.19067E-02 ppm1 0.858 ppm2 3.433 CV 1 ASSI { 346} ( segid " " and resid 2394 and name HD1%) (( segid " " and resid 2308 and name HG3 )) 3.000 1.100 1.100 peak 346 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 0.855 ppm2 2.499 CV 1 ASSI { 348} ( segid " " and resid 2394 and name HD1%) (( segid " " and resid 2308 and name HG2 )) 4.000 2.000 2.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.14785E-02 ppm1 0.853 ppm2 2.340 CV 1 ASSI { 349} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2360 and name HB )) 3.000 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.17640E-02 ppm1 0.855 ppm2 2.224 CV 1 ASSI { 350} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2316 and name HG12)) 2.600 0.800 0.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.38237E-02 ppm1 0.852 ppm2 2.069 CV 1 OR { 350} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2316 and name HB )) ASSI { 351} ( segid " " and resid 2394 and name HD1%) (( segid " " and resid 2394 and name HB )) 2.600 0.800 0.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.43947E-02 ppm1 0.856 ppm2 1.898 CV 1 ASSI { 352} ( segid " " and resid 2316 and name HD1%) ( segid " " and resid 2401 and name HB% ) 3.700 1.700 1.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.92792E-03 ppm1 0.852 ppm2 1.652 CV 1 ASSI { 354} ( segid " " and resid 2316 and name HD1%) ( segid " " and resid 2356 and name HG2%) 4.000 2.000 2.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.13256E-02 ppm1 0.853 ppm2 1.303 CV 1 ASSI { 356} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2316 and name HG13)) 2.400 0.700 0.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.58426E-02 ppm1 0.852 ppm2 1.015 CV 1 ASSI { 357} ( segid " " and resid 2316 and name HD1%) ( segid " " and resid 2400 and name HG2%) 3.000 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 0.851 ppm2 0.940 CV 1 ASSI { 358} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2316 and name HG13)) 3.000 1.200 1.200 peak 358 spectrum 1 weight 0.10000E+01 volume 0.57203E-02 ppm1 1.112 ppm2 1.022 CV 1 ASSI { 359} ( segid " " and resid 2316 and name HG2%) ( segid " " and resid 2316 and name HD1%) 2.700 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.33343E-02 ppm1 1.114 ppm2 0.853 CV 1 ASSI { 360} ( segid " " and resid 2316 and name HG2%) ( segid " " and resid 2353 and name HB% ) 3.400 1.400 1.400 peak 360 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 1.113 ppm2 1.397 CV 1 ASSI { 361} ( segid " " and resid 2316 and name HG2%) ( segid " " and resid 2356 and name HG2%) 3.300 1.400 1.400 peak 361 spectrum 1 weight 0.10000E+01 volume 0.28347E-02 ppm1 1.114 ppm2 1.308 CV 1 ASSI { 363} ( segid " " and resid 2316 and name HG2%) ( segid " " and resid 2320 and name HB% ) 3.500 1.500 1.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.86670E-03 ppm1 1.113 ppm2 1.583 CV 1 ASSI { 364} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2316 and name HB )) 2.500 0.800 0.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.41908E-02 ppm1 1.114 ppm2 2.060 CV 1 OR { 364} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2316 and name HG12)) ASSI { 366} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2316 and name HA )) 2.600 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.44763E-02 ppm1 1.114 ppm2 3.738 CV 1 ASSI { 367} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2404 and name HB )) 3.300 1.400 1.400 peak 367 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 1.114 ppm2 4.390 CV 1 ASSI { 368} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2317 and name H )) 3.100 1.200 1.200 peak 368 spectrum 1 weight 0.10000E+01 volume 0.26919E-02 ppm1 1.113 ppm2 8.341 CV 1 ASSI { 371} (( segid " " and resid 2422 and name HB2 )) (( segid " " and resid 2422 and name HA )) 2.400 0.700 0.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.87387E-02 ppm1 2.052 ppm2 4.103 CV 1 ASSI { 379} (( segid " " and resid 2316 and name HG13)) (( segid " " and resid 2316 and name HG12)) 2.400 0.700 0.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 1.012 ppm2 2.076 CV 1 OR { 379} (( segid " " and resid 2316 and name HG13)) (( segid " " and resid 2316 and name HB )) ASSI { 380} (( segid " " and resid 2316 and name HG13)) (( segid " " and resid 2316 and name HA )) 3.200 1.300 1.300 peak 380 spectrum 1 weight 0.10000E+01 volume 0.19067E-02 ppm1 1.007 ppm2 3.734 CV 1 ASSI { 384} (( segid " " and resid 2361 and name HA )) (( segid " " and resid 2361 and name H )) 2.500 0.800 0.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.52410E-02 ppm1 4.075 ppm2 8.354 CV 1 ASSI { 388} (( segid " " and resid 2306 and name HA )) (( segid " " and resid 2306 and name H )) 2.400 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.75759E-02 ppm1 4.074 ppm2 8.173 CV 1 ASSI { 390} (( segid " " and resid 2368 and name HA )) (( segid " " and resid 2368 and name H )) 2.200 0.600 0.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.14530E-01 ppm1 4.076 ppm2 8.093 CV 1 ASSI { 391} (( segid " " and resid 2368 and name HA )) (( segid " " and resid 2368 and name HD2 )) 3.900 1.900 1.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.10400E-02 ppm1 4.074 ppm2 3.331 CV 1 OR { 391} (( segid " " and resid 2368 and name HA )) (( segid " " and resid 2368 and name HD3 )) ASSI { 395} (( segid " " and resid 2306 and name HA )) (( segid " " and resid 2306 and name HB3 )) 2.400 0.700 0.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.78411E-02 ppm1 4.074 ppm2 2.242 CV 1 OR { 395} (( segid " " and resid 2306 and name HA )) (( segid " " and resid 2306 and name HB2 )) ASSI { 397} (( segid " " and resid 2470 and name HA )) (( segid " " and resid 2470 and name HB3 )) 2.500 0.800 0.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.60160E-02 ppm1 4.070 ppm2 2.165 CV 1 ASSI { 399} (( segid " " and resid 2361 and name HA )) (( segid " " and resid 2361 and name HB3 )) 2.600 0.800 0.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.47822E-02 ppm1 4.077 ppm2 1.964 CV 1 OR { 399} (( segid " " and resid 2361 and name HA )) (( segid " " and resid 2361 and name HB2 )) ASSI { 400} (( segid " " and resid 2368 and name HA )) (( segid " " and resid 2368 and name HG3 )) 2.800 1.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.29264E-02 ppm1 4.077 ppm2 1.789 CV 1 ASSI { 401} (( segid " " and resid 2470 and name HA )) (( segid " " and resid 2470 and name HG )) 2.400 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.54144E-02 ppm1 4.082 ppm2 1.780 CV 1 OR { 401} (( segid " " and resid 2470 and name HA )) (( segid " " and resid 2470 and name HB2 )) ASSI { 402} (( segid " " and resid 2361 and name HA )) (( segid " " and resid 2361 and name HG2 )) 3.000 1.100 1.100 peak 402 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 4.076 ppm2 1.754 CV 1 OR { 402} (( segid " " and resid 2361 and name HA )) (( segid " " and resid 2361 and name HD3 )) ASSI { 403} (( segid " " and resid 2398 and name HA )) (( segid " " and resid 2398 and name HG3 )) 2.600 0.800 0.800 peak 403 spectrum 1 weight 0.10000E+01 volume 0.51187E-02 ppm1 4.074 ppm2 1.736 CV 1 OR { 403} (( segid " " and resid 2398 and name HA )) (( segid " " and resid 2398 and name HG2 )) ASSI { 412} (( segid " " and resid 2481 and name HB3 )) (( segid " " and resid 2481 and name HB2 )) 2.000 0.500 0.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.10859E-01 ppm1 2.179 ppm2 1.999 CV 1 OR { 412} (( segid " " and resid 2481 and name HB3 )) (( segid " " and resid 2481 and name HG2 )) ASSI { 415} (( segid " " and resid 2475 and name HB3 )) (( segid " " and resid 2475 and name HB2 )) 1.600 0.300 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.32099E-01 ppm1 2.176 ppm2 2.290 CV 1 ASSI { 420} (( segid " " and resid 2409 and name HB3 )) (( segid " " and resid 2409 and name HA )) 2.400 0.700 0.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.91358E-02 ppm1 2.213 ppm2 4.209 CV 1 OR { 420} (( segid " " and resid 2409 and name HB2 )) (( segid " " and resid 2409 and name HA )) ASSI { 422} (( segid " " and resid 2347 and name HB2 )) (( segid " " and resid 2347 and name H )) 2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.67501E-02 ppm1 2.168 ppm2 8.405 CV 1 OR { 422} (( segid " " and resid 2347 and name HB3 )) (( segid " " and resid 2347 and name H )) ASSI { 423} (( segid " " and resid 2409 and name HB2 )) (( segid " " and resid 2409 and name H )) 1.900 0.400 0.400 peak 423 spectrum 1 weight 0.10000E+01 volume 0.19108E-01 ppm1 2.216 ppm2 8.315 CV 1 ASSI { 424} (( segid " " and resid 2308 and name HB2 )) (( segid " " and resid 2307 and name H )) 3.300 1.400 1.400 peak 424 spectrum 1 weight 0.10000E+01 volume 0.38543E-02 ppm1 2.196 ppm2 8.254 CV 1 ASSI { 425} (( segid " " and resid 2373 and name HB2 )) (( segid " " and resid 2373 and name H )) 2.000 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.14520E-01 ppm1 2.168 ppm2 8.117 CV 1 ASSI { 426} (( segid " " and resid 2317 and name HG2 )) (( segid " " and resid 2317 and name H )) 3.000 1.100 1.100 peak 426 spectrum 1 weight 0.10000E+01 volume 0.48944E-02 ppm1 2.330 ppm2 8.339 CV 1 ASSI { 428} (( segid " " and resid 2317 and name HG3 )) ( segid " " and resid 2318 and name HB% ) 4.400 2.400 1.600 peak 428 spectrum 1 weight 0.10000E+01 volume 0.10808E-02 ppm1 2.577 ppm2 1.618 CV 1 ASSI { 429} (( segid " " and resid 2317 and name HG3 )) (( segid " " and resid 2317 and name HB2 )) 2.700 0.900 0.900 peak 429 spectrum 1 weight 0.10000E+01 volume 0.37829E-02 ppm1 2.578 ppm2 2.199 CV 1 OR { 429} (( segid " " and resid 2317 and name HG3 )) (( segid " " and resid 2317 and name HB3 )) ASSI { 431} (( segid " " and resid 2317 and name HG3 )) (( segid " " and resid 2317 and name HA )) 2.900 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.61485E-02 ppm1 2.576 ppm2 4.101 CV 1 ASSI { 432} (( segid " " and resid 2317 and name HG3 )) (( segid " " and resid 2317 and name H )) 2.200 0.600 0.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.75250E-02 ppm1 2.575 ppm2 8.338 CV 1 ASSI { 435} (( segid " " and resid 2319 and name HA )) (( segid " " and resid 2322 and name H )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.62403E-02 ppm1 4.222 ppm2 7.623 CV 1 ASSI { 437} (( segid " " and resid 2323 and name HA )) (( segid " " and resid 2323 and name HG )) 2.900 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.21923E-02 ppm1 4.223 ppm2 1.955 CV 1 ASSI { 438} (( segid " " and resid 2319 and name HA )) ( segid " " and resid 2319 and name HB% ) 2.200 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.11920E-01 ppm1 4.229 ppm2 1.691 CV 1 ASSI { 445} ( segid " " and resid 2348 and name HB% ) (( segid " " and resid 2469 and name HD22)) 2.800 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.60160E-02 ppm1 1.600 ppm2 7.819 CV 1 ASSI { 447} ( segid " " and resid 2319 and name HB% ) (( segid " " and resid 2319 and name H )) 2.300 0.700 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.10064E-01 ppm1 1.693 ppm2 7.817 CV 1 ASSI { 448} ( segid " " and resid 2428 and name HB% ) (( segid " " and resid 2428 and name H )) 2.600 0.800 0.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.45477E-02 ppm1 1.676 ppm2 8.238 CV 1 ASSI { 449} ( segid " " and resid 2372 and name HB% ) (( segid " " and resid 2373 and name H )) 2.200 0.600 0.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.13276E-01 ppm1 1.666 ppm2 8.108 CV 1 ASSI { 450} ( segid " " and resid 2319 and name HB% ) (( segid " " and resid 2320 and name H )) 2.500 0.800 0.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.58325E-02 ppm1 1.693 ppm2 8.553 CV 1 ASSI { 452} ( segid " " and resid 2474 and name HB% ) ( segid " " and resid 2345 and name HD1%) 3.500 1.600 1.600 peak 452 spectrum 1 weight 0.10000E+01 volume 0.10910E-02 ppm1 1.573 ppm2 0.671 CV 1 ASSI { 456} ( segid " " and resid 2363 and name HB% ) ( segid " " and resid 2456 and name HD2%) 3.100 1.200 1.200 peak 456 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 1.573 ppm2 0.999 CV 1 ASSI { 458} ( segid " " and resid 2383 and name HB% ) (( segid " " and resid 2383 and name H )) 2.500 0.800 0.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.57203E-02 ppm1 1.577 ppm2 7.930 CV 1 ASSI { 460} ( segid " " and resid 2474 and name HB% ) (( segid " " and resid 2474 and name H )) 2.400 0.700 0.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.68927E-02 ppm1 1.573 ppm2 8.647 CV 1 ASSI { 461} (( segid " " and resid 2321 and name HA )) (( segid " " and resid 2321 and name H )) 2.300 0.600 0.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.11502E-01 ppm1 4.136 ppm2 8.117 CV 1 ASSI { 462} (( segid " " and resid 2324 and name HA )) (( segid " " and resid 2324 and name H )) 2.300 0.700 0.700 peak 462 spectrum 1 weight 0.10000E+01 volume 0.10156E-01 ppm1 4.123 ppm2 7.746 CV 1 ASSI { 463} (( segid " " and resid 2437 and name HA )) (( segid " " and resid 2437 and name H )) 2.400 0.700 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.79329E-02 ppm1 4.141 ppm2 7.739 CV 1 ASSI { 465} (( segid " " and resid 2324 and name HA )) (( segid " " and resid 2324 and name HB3 )) 2.400 0.700 0.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.89222E-02 ppm1 4.124 ppm2 2.250 CV 1 OR { 465} (( segid " " and resid 2324 and name HA )) (( segid " " and resid 2324 and name HB2 )) ASSI { 467} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2472 and name HB2 )) 2.300 0.700 0.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.84426E-02 ppm1 4.145 ppm2 1.987 CV 1 OR { 467} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2472 and name HB3 )) ASSI { 470} (( segid " " and resid 2321 and name HA )) (( segid " " and resid 2321 and name HG3 )) 2.700 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.39359E-02 ppm1 4.138 ppm2 1.605 CV 1 OR { 470} (( segid " " and resid 2321 and name HA )) (( segid " " and resid 2321 and name HG2 )) ASSI { 471} (( segid " " and resid 2334 and name HB2 )) (( segid " " and resid 2334 and name HB3 )) 1.600 0.300 0.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.44417E-01 ppm1 2.041 ppm2 2.200 CV 1 ASSI { 472} (( segid " " and resid 2332 and name HB2 )) (( segid " " and resid 2332 and name HB3 )) 1.500 0.300 0.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.53359E-01 ppm1 2.026 ppm2 2.418 CV 1 ASSI { 473} (( segid " " and resid 2328 and name HB2 )) (( segid " " and resid 2328 and name HB3 )) 1.600 0.300 0.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.32608E-01 ppm1 2.040 ppm2 2.342 CV 1 ASSI { 478} (( segid " " and resid 2328 and name HB2 )) (( segid " " and resid 2328 and name HD3 )) 3.000 1.100 1.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.70253E-02 ppm1 2.032 ppm2 3.737 CV 1 ASSI { 480} (( segid " " and resid 2321 and name HB3 )) (( segid " " and resid 2318 and name HA )) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.10982E-01 ppm1 2.055 ppm2 4.204 CV 1 ASSI { 485} (( segid " " and resid 2454 and name HB2 )) (( segid " " and resid 2454 and name H )) 2.300 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.83100E-02 ppm1 1.980 ppm2 8.338 CV 1 ASSI { 486} (( segid " " and resid 2321 and name HB2 )) (( segid " " and resid 2321 and name H )) 2.100 0.600 0.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.11410E-01 ppm1 1.989 ppm2 8.121 CV 1 ASSI { 487} (( segid " " and resid 2322 and name HB3 )) (( segid " " and resid 2322 and name H )) 2.500 0.800 0.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.56693E-02 ppm1 2.003 ppm2 7.616 CV 1 OR { 487} (( segid " " and resid 2322 and name HB2 )) (( segid " " and resid 2322 and name H )) ASSI { 492} (( segid " " and resid 2455 and name HB2 )) (( segid " " and resid 2455 and name HB3 )) 1.700 0.400 0.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.20872E-01 ppm1 1.981 ppm2 2.111 CV 1 ASSI { 501} (( segid " " and resid 2379 and name HG13)) (( segid " " and resid 2379 and name H )) 3.300 1.300 1.300 peak 501 spectrum 1 weight 0.10000E+01 volume 0.37829E-02 ppm1 1.598 ppm2 7.924 CV 1 ASSI { 502} (( segid " " and resid 2464 and name HG3 )) (( segid " " and resid 2464 and name H )) 3.600 1.600 1.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.26511E-02 ppm1 1.607 ppm2 7.994 CV 1 ASSI { 504} (( segid " " and resid 2454 and name HD3 )) (( segid " " and resid 2454 and name HA )) 2.000 0.500 0.500 peak 504 spectrum 1 weight 0.10000E+01 volume 0.14704E-01 ppm1 1.776 ppm2 4.171 CV 1 ASSI { 511} (( segid " " and resid 2321 and name HE2 )) (( segid " " and resid 2321 and name HB3 )) 3.100 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.30488E-02 ppm1 3.040 ppm2 2.063 CV 1 OR { 511} (( segid " " and resid 2321 and name HE3 )) (( segid " " and resid 2321 and name HB3 )) ASSI { 514} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name HA )) 2.700 0.900 0.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.68626E-02 ppm1 1.526 ppm2 4.215 CV 1 ASSI { 523} (( segid " " and resid 2323 and name HA )) (( segid " " and resid 2323 and name H )) 2.500 0.800 0.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.55775E-02 ppm1 4.222 ppm2 7.686 CV 1 ASSI { 524} (( segid " " and resid 2476 and name HA )) (( segid " " and resid 2476 and name HB2 )) 2.300 0.700 0.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.94011E-02 ppm1 4.214 ppm2 1.897 CV 1 OR { 524} (( segid " " and resid 2476 and name HA )) (( segid " " and resid 2476 and name HB3 )) ASSI { 526} (( segid " " and resid 2323 and name HA )) (( segid " " and resid 2323 and name HB3 )) 2.400 0.700 0.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.54144E-02 ppm1 4.221 ppm2 1.539 CV 1 ASSI { 529} (( segid " " and resid 2323 and name HB2 )) (( segid " " and resid 2323 and name HB3 )) 1.800 0.400 0.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.11074E-01 ppm1 2.123 ppm2 1.542 CV 1 ASSI { 530} (( segid " " and resid 2323 and name HB2 )) (( segid " " and resid 2323 and name H )) 2.400 0.700 0.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.36198E-02 ppm1 2.121 ppm2 7.690 CV 1 ASSI { 531} (( segid " " and resid 2323 and name HB2 )) (( segid " " and resid 2321 and name H )) 3.200 1.300 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 2.091 ppm2 8.111 CV 1 ASSI { 532} (( segid " " and resid 2323 and name HB2 )) (( segid " " and resid 2323 and name HA )) 2.800 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.31304E-02 ppm1 2.123 ppm2 4.216 CV 1 ASSI { 534} (( segid " " and resid 2323 and name HB2 )) (( segid " " and resid 2320 and name HA )) 2.700 0.900 0.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 2.123 ppm2 4.006 CV 1 ASSI { 537} (( segid " " and resid 2439 and name HB2 )) (( segid " " and resid 2439 and name HG )) 2.500 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.65768E-02 ppm1 2.044 ppm2 1.850 CV 1 ASSI { 538} (( segid " " and resid 2456 and name HB3 )) (( segid " " and resid 2456 and name HB2 )) 1.900 0.400 0.400 peak 538 spectrum 1 weight 0.10000E+01 volume 0.92993E-02 ppm1 2.046 ppm2 1.807 CV 1 ASSI { 540} (( segid " " and resid 2309 and name HB2 )) (( segid " " and resid 2309 and name HG )) 2.700 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.26817E-02 ppm1 2.067 ppm2 1.771 CV 1 ASSI { 543} (( segid " " and resid 2326 and name HB3 )) (( segid " " and resid 2326 and name HB2 )) 1.700 0.300 0.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.20730E-01 ppm1 1.957 ppm2 1.513 CV 1 ASSI { 545} (( segid " " and resid 2424 and name HB3 )) (( segid " " and resid 2424 and name HB2 )) 1.900 0.500 0.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.79939E-02 ppm1 2.069 ppm2 1.483 CV 1 ASSI { 546} (( segid " " and resid 2323 and name HB3 )) ( segid " " and resid 2323 and name HD1%) 3.400 1.500 1.500 peak 546 spectrum 1 weight 0.10000E+01 volume 0.95846E-03 ppm1 1.536 ppm2 0.950 CV 1 OR { 546} (( segid " " and resid 2323 and name HB3 )) ( segid " " and resid 2323 and name HD2%) ASSI { 549} (( segid " " and resid 2323 and name HB3 )) (( segid " " and resid 2323 and name HG )) 3.100 1.200 1.200 peak 549 spectrum 1 weight 0.10000E+01 volume 0.14377E-02 ppm1 1.525 ppm2 1.956 CV 1 ASSI { 551} (( segid " " and resid 2323 and name HB3 )) (( segid " " and resid 2323 and name H )) 3.600 1.600 1.600 peak 551 spectrum 1 weight 0.10000E+01 volume 0.27633E-02 ppm1 1.531 ppm2 7.688 CV 1 ASSI { 552} (( segid " " and resid 2310 and name HG )) (( segid " " and resid 2310 and name H )) 2.900 1.000 1.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.56897E-02 ppm1 1.972 ppm2 8.333 CV 1 ASSI { 553} (( segid " " and resid 2323 and name HG )) (( segid " " and resid 2323 and name H )) 2.900 1.000 1.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.37421E-02 ppm1 1.960 ppm2 7.690 CV 1 ASSI { 555} (( segid " " and resid 2323 and name HG )) (( segid " " and resid 2320 and name HA )) 4.400 2.400 1.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.47924E-03 ppm1 1.950 ppm2 4.007 CV 1 ASSI { 556} (( segid " " and resid 2310 and name HG )) (( segid " " and resid 2310 and name HB2 )) 2.700 0.900 0.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.48026E-02 ppm1 1.968 ppm2 1.652 CV 1 ASSI { 558} (( segid " " and resid 2370 and name HG )) ( segid " " and resid 2370 and name HD2%) 3.000 1.200 1.200 peak 558 spectrum 1 weight 0.10000E+01 volume 0.16824E-02 ppm1 1.981 ppm2 0.836 CV 1 OR { 558} (( segid " " and resid 2370 and name HG )) ( segid " " and resid 2370 and name HD1%) ASSI { 560} ( segid " " and resid 2323 and name HD1%) (( segid " " and resid 2323 and name HB3 )) 3.000 1.100 1.100 peak 560 spectrum 1 weight 0.10000E+01 volume 0.39359E-02 ppm1 0.927 ppm2 1.554 CV 1 ASSI { 562} ( segid " " and resid 2323 and name HD1%) (( segid " " and resid 2323 and name HB2 )) 2.700 0.900 0.900 peak 562 spectrum 1 weight 0.10000E+01 volume 0.28958E-02 ppm1 0.929 ppm2 2.119 CV 1 ASSI { 563} ( segid " " and resid 2323 and name HD1%) (( segid " " and resid 2408 and name HA )) 2.800 1.000 1.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.33343E-02 ppm1 0.932 ppm2 4.068 CV 1 ASSI { 567} ( segid " " and resid 2323 and name HD2%) (( segid " " and resid 2320 and name HA )) 3.100 1.200 1.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 0.968 ppm2 4.016 CV 1 ASSI { 568} ( segid " " and resid 2323 and name HD2%) (( segid " " and resid 2323 and name HG )) 2.500 0.800 0.800 peak 568 spectrum 1 weight 0.10000E+01 volume 0.50983E-02 ppm1 0.963 ppm2 1.956 CV 1 ASSI { 569} ( segid " " and resid 2323 and name HD2%) (( segid " " and resid 2323 and name HB2 )) 3.100 1.200 1.200 peak 569 spectrum 1 weight 0.10000E+01 volume 0.27939E-02 ppm1 0.964 ppm2 2.120 CV 1 ASSI { 571} ( segid " " and resid 2323 and name HD2%) (( segid " " and resid 2407 and name HG )) 3.300 3.300 2.700 peak 571 spectrum 1 weight 0.10000E+01 volume 0.14071E-02 ppm1 0.966 ppm2 1.797 CV 1 ASSI { 576} (( segid " " and resid 2324 and name HA )) (( segid " " and resid 2350 and name HE2 )) 3.200 1.300 1.300 peak 576 spectrum 1 weight 0.10000E+01 volume 0.14071E-02 ppm1 4.127 ppm2 2.875 CV 1 OR { 576} (( segid " " and resid 2324 and name HA )) (( segid " " and resid 2350 and name HE3 )) ASSI { 577} (( segid " " and resid 2324 and name HA )) (( segid " " and resid 2325 and name H )) 2.700 0.900 0.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.40277E-02 ppm1 4.120 ppm2 7.574 CV 1 ASSI { 578} (( segid " " and resid 2369 and name HB3 )) (( segid " " and resid 2369 and name H )) 2.700 0.900 0.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.42316E-02 ppm1 2.242 ppm2 7.984 CV 1 OR { 578} (( segid " " and resid 2369 and name HB2 )) (( segid " " and resid 2369 and name H )) ASSI { 579} (( segid " " and resid 2324 and name HB2 )) (( segid " " and resid 2324 and name H )) 2.500 0.800 0.800 peak 579 spectrum 1 weight 0.10000E+01 volume 0.58325E-02 ppm1 2.251 ppm2 7.746 CV 1 OR { 579} (( segid " " and resid 2324 and name HB3 )) (( segid " " and resid 2324 and name H )) ASSI { 582} (( segid " " and resid 2343 and name HB3 )) (( segid " " and resid 2343 and name HA )) 2.400 0.700 0.700 peak 582 spectrum 1 weight 0.10000E+01 volume 0.62403E-02 ppm1 2.259 ppm2 4.027 CV 1 ASSI { 583} (( segid " " and resid 2324 and name HB2 )) (( segid " " and resid 2324 and name HG3 )) 2.200 0.600 0.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.12297E-01 ppm1 2.244 ppm2 2.406 CV 1 OR { 583} (( segid " " and resid 2324 and name HB3 )) (( segid " " and resid 2324 and name HG3 )) ASSI { 585} (( segid " " and resid 2369 and name HB3 )) ( segid " " and resid 2366 and name HB% ) 4.100 2.100 1.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 2.231 ppm2 1.573 CV 1 ASSI { 588} (( segid " " and resid 2324 and name HG2 )) (( segid " " and resid 2324 and name HA )) 2.200 0.600 0.600 peak 588 spectrum 1 weight 0.10000E+01 volume 0.10482E-01 ppm1 2.508 ppm2 4.131 CV 1 ASSI { 589} (( segid " " and resid 2409 and name HG3 )) (( segid " " and resid 2409 and name HA )) 2.700 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.58426E-02 ppm1 2.522 ppm2 4.212 CV 1 ASSI { 590} (( segid " " and resid 2324 and name HG2 )) (( segid " " and resid 2324 and name H )) 3.100 1.200 1.200 peak 590 spectrum 1 weight 0.10000E+01 volume 0.70354E-02 ppm1 2.507 ppm2 7.744 CV 1 ASSI { 591} (( segid " " and resid 2409 and name HG3 )) (( segid " " and resid 2409 and name H )) 2.300 0.700 0.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.83609E-02 ppm1 2.525 ppm2 8.312 CV 1 ASSI { 592} (( segid " " and resid 2422 and name HG2 )) (( segid " " and resid 2423 and name H )) 3.400 1.500 1.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 2.386 ppm2 7.945 CV 1 OR { 592} (( segid " " and resid 2422 and name HG3 )) (( segid " " and resid 2423 and name H )) ASSI { 593} (( segid " " and resid 2337 and name HG3 )) (( segid " " and resid 2338 and name H )) 3.600 1.600 1.600 peak 593 spectrum 1 weight 0.10000E+01 volume 0.20597E-02 ppm1 2.397 ppm2 8.377 CV 1 OR { 593} (( segid " " and resid 2337 and name HG2 )) (( segid " " and resid 2338 and name H )) ASSI { 595} (( segid " " and resid 2409 and name HG2 )) (( segid " " and resid 2409 and name HA )) 2.200 0.600 0.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.11288E-01 ppm1 2.376 ppm2 4.214 CV 1 ASSI { 596} (( segid " " and resid 2325 and name HA )) (( segid " " and resid 2325 and name HB2 )) 2.600 0.800 0.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.89423E-02 ppm1 4.353 ppm2 2.122 CV 1 ASSI { 597} (( segid " " and resid 2325 and name HA )) (( segid " " and resid 2325 and name HB3 )) 2.200 0.600 0.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.12684E-01 ppm1 4.354 ppm2 2.348 CV 1 ASSI { 598} (( segid " " and resid 2325 and name HA )) (( segid " " and resid 2325 and name HG2 )) 2.200 0.600 0.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.10003E-01 ppm1 4.353 ppm2 2.528 CV 1 ASSI { 599} (( segid " " and resid 2325 and name HA )) (( segid " " and resid 2326 and name H )) 2.600 0.800 0.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.57101E-02 ppm1 4.354 ppm2 7.408 CV 1 ASSI { 600} (( segid " " and resid 2325 and name HA )) (( segid " " and resid 2325 and name H )) 2.400 0.700 0.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.83508E-02 ppm1 4.353 ppm2 7.576 CV 1 ASSI { 603} (( segid " " and resid 2344 and name HB2 )) (( segid " " and resid 2345 and name HA )) 2.700 2.700 3.300 peak 603 spectrum 1 weight 0.10000E+01 volume 0.38135E-02 ppm1 2.346 ppm2 3.654 CV 1 ASSI { 605} (( segid " " and resid 2325 and name HB3 )) (( segid " " and resid 2325 and name HB2 )) 1.600 0.300 0.600 peak 605 spectrum 1 weight 0.10000E+01 volume 0.28663E-01 ppm1 2.348 ppm2 2.122 CV 1 ASSI { 607} (( segid " " and resid 2325 and name HB2 )) (( segid " " and resid 2325 and name HG3 )) 2.300 0.600 0.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.73314E-02 ppm1 2.128 ppm2 2.577 CV 1 ASSI { 609} (( segid " " and resid 2325 and name HB2 )) (( segid " " and resid 2325 and name H )) 2.400 0.700 0.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.49759E-02 ppm1 2.119 ppm2 7.577 CV 1 ASSI { 610} (( segid " " and resid 2325 and name HG3 )) (( segid " " and resid 2325 and name H )) 2.400 0.700 0.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.49658E-02 ppm1 2.583 ppm2 7.579 CV 1 ASSI { 614} (( segid " " and resid 2373 and name HG3 )) (( segid " " and resid 2373 and name HG2 )) 1.600 0.300 0.600 peak 614 spectrum 1 weight 0.10000E+01 volume 0.30498E-01 ppm1 2.558 ppm2 2.745 CV 1 ASSI { 615} (( segid " " and resid 2437 and name HG3 )) ( segid " " and resid 2440 and name HG2%) 4.000 2.000 2.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.72397E-03 ppm1 2.506 ppm2 1.078 CV 1 OR { 615} (( segid " " and resid 2437 and name HG2 )) ( segid " " and resid 2440 and name HG2%) ASSI { 616} (( segid " " and resid 2437 and name HG2 )) ( segid " " and resid 2396 and name HB% ) 3.200 1.200 1.200 peak 616 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 2.515 ppm2 1.499 CV 1 OR { 616} (( segid " " and resid 2437 and name HG3 )) ( segid " " and resid 2396 and name HB% ) ASSI { 618} (( segid " " and resid 2325 and name HG2 )) (( segid " " and resid 2325 and name HB2 )) 2.500 0.800 0.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.13051E-01 ppm1 2.522 ppm2 2.127 CV 1 ASSI { 628} (( segid " " and resid 2437 and name HG2 )) (( segid " " and resid 2437 and name H )) 3.300 1.400 1.400 peak 628 spectrum 1 weight 0.10000E+01 volume 0.48128E-02 ppm1 2.505 ppm2 7.728 CV 1 OR { 628} (( segid " " and resid 2437 and name HG3 )) (( segid " " and resid 2437 and name H )) ASSI { 629} (( segid " " and resid 2391 and name HG2 )) (( segid " " and resid 2391 and name H )) 2.800 0.900 0.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.55775E-02 ppm1 2.520 ppm2 8.233 CV 1 OR { 629} (( segid " " and resid 2391 and name HG3 )) (( segid " " and resid 2391 and name H )) ASSI { 630} (( segid " " and resid 2430 and name HG3 )) (( segid " " and resid 2430 and name H )) 3.100 1.200 1.200 peak 630 spectrum 1 weight 0.10000E+01 volume 0.68519E-02 ppm1 2.533 ppm2 8.358 CV 1 ASSI { 631} (( segid " " and resid 2457 and name HG2 )) (( segid " " and resid 2457 and name H )) 3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.44763E-02 ppm1 2.494 ppm2 8.579 CV 1 OR { 631} (( segid " " and resid 2457 and name HG3 )) (( segid " " and resid 2457 and name H )) ASSI { 634} (( segid " " and resid 2466 and name HA )) (( segid " " and resid 2469 and name HB3 )) 2.300 0.700 0.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.67809E-02 ppm1 4.368 ppm2 3.137 CV 1 ASSI { 635} (( segid " " and resid 2466 and name HA )) (( segid " " and resid 2469 and name HB2 )) 2.700 0.900 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.60466E-02 ppm1 4.359 ppm2 2.934 CV 1 ASSI { 636} (( segid " " and resid 2326 and name HA )) (( segid " " and resid 2326 and name HB3 )) 2.200 0.600 0.600 peak 636 spectrum 1 weight 0.10000E+01 volume 0.89932E-02 ppm1 4.369 ppm2 1.957 CV 1 ASSI { 643} (( segid " " and resid 2326 and name HB2 )) (( segid " " and resid 2326 and name H )) 2.600 0.800 0.800 peak 643 spectrum 1 weight 0.10000E+01 volume 0.34566E-02 ppm1 1.514 ppm2 7.407 CV 1 ASSI { 644} (( segid " " and resid 2326 and name HB2 )) (( segid " " and resid 2327 and name H )) 3.400 1.400 1.400 peak 644 spectrum 1 weight 0.10000E+01 volume 0.18762E-02 ppm1 1.504 ppm2 8.208 CV 1 ASSI { 645} (( segid " " and resid 2326 and name HB3 )) (( segid " " and resid 2326 and name H )) 3.100 1.200 1.200 peak 645 spectrum 1 weight 0.10000E+01 volume 0.58733E-02 ppm1 1.958 ppm2 7.408 CV 1 ASSI { 648} (( segid " " and resid 2326 and name HG )) ( segid " " and resid 2326 and name HD1%) 2.600 0.900 0.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.36096E-02 ppm1 1.898 ppm2 1.015 CV 1 ASSI { 654} ( segid " " and resid 2424 and name HD2%) (( segid " " and resid 2424 and name HB3 )) 2.500 0.800 0.800 peak 654 spectrum 1 weight 0.10000E+01 volume 0.40888E-02 ppm1 0.990 ppm2 2.072 CV 1 ASSI { 655} ( segid " " and resid 2326 and name HD2%) (( segid " " and resid 2326 and name HB2 )) 3.200 1.300 1.300 peak 655 spectrum 1 weight 0.10000E+01 volume 0.49250E-02 ppm1 0.958 ppm2 1.520 CV 1 ASSI { 656} ( segid " " and resid 2326 and name HD2%) (( segid " " and resid 2326 and name HG )) 2.300 0.600 0.600 peak 656 spectrum 1 weight 0.10000E+01 volume 0.90749E-02 ppm1 0.955 ppm2 1.893 CV 1 ASSI { 657} ( segid " " and resid 2326 and name HD2%) (( segid " " and resid 2326 and name HA )) 2.300 0.600 0.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.97272E-02 ppm1 0.959 ppm2 4.370 CV 1 ASSI { 659} (( segid " " and resid 2327 and name HA )) (( segid " " and resid 2328 and name HD2 )) 2.200 0.600 0.600 peak 659 spectrum 1 weight 0.10000E+01 volume 0.10951E-01 ppm1 4.774 ppm2 3.755 CV 1 OR { 659} (( segid " " and resid 2327 and name HA )) (( segid " " and resid 2328 and name HD3 )) ASSI { 660} (( segid " " and resid 2327 and name HA )) (( segid " " and resid 2327 and name HB3 )) 2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.92892E-02 ppm1 4.775 ppm2 1.893 CV 1 ASSI { 662} (( segid " " and resid 2327 and name HA )) (( segid " " and resid 2327 and name HG2 )) 2.900 1.000 1.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.27837E-02 ppm1 4.778 ppm2 1.503 CV 1 OR { 662} (( segid " " and resid 2327 and name HA )) (( segid " " and resid 2327 and name HG3 )) ASSI { 663} (( segid " " and resid 2327 and name HA )) ( segid " " and resid 2346 and name HD2%) 3.700 1.700 1.700 peak 663 spectrum 1 weight 0.10000E+01 volume 0.80555E-03 ppm1 4.775 ppm2 1.020 CV 1 ASSI { 664} (( segid " " and resid 2327 and name HB2 )) (( segid " " and resid 2327 and name HB3 )) 1.500 0.300 0.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.39848E-01 ppm1 1.774 ppm2 1.885 CV 1 ASSI { 666} (( segid " " and resid 2327 and name HB2 )) (( segid " " and resid 2326 and name HA )) 3.300 1.300 1.300 peak 666 spectrum 1 weight 0.10000E+01 volume 0.17538E-02 ppm1 1.782 ppm2 4.370 CV 1 ASSI { 667} (( segid " " and resid 2327 and name HB2 )) (( segid " " and resid 2328 and name HD2 )) 3.900 1.900 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.13765E-02 ppm1 1.774 ppm2 3.760 CV 1 OR { 667} (( segid " " and resid 2327 and name HB2 )) (( segid " " and resid 2328 and name HD3 )) ASSI { 668} (( segid " " and resid 2327 and name HB2 )) (( segid " " and resid 2327 and name H )) 2.900 1.000 1.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.44355E-02 ppm1 1.776 ppm2 8.210 CV 1 ASSI { 669} (( segid " " and resid 2327 and name HB3 )) (( segid " " and resid 2327 and name H )) 2.700 0.900 0.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.38237E-02 ppm1 1.878 ppm2 8.215 CV 1 ASSI { 673} (( segid " " and resid 2327 and name HB3 )) (( segid " " and resid 2326 and name HA )) 2.700 2.700 3.300 peak 673 spectrum 1 weight 0.10000E+01 volume 0.38033E-02 ppm1 1.866 ppm2 4.345 CV 1 ASSI { 676} (( segid " " and resid 2327 and name HB3 )) (( segid " " and resid 2327 and name HG3 )) 2.700 0.900 0.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.32833E-02 ppm1 1.882 ppm2 1.504 CV 1 OR { 676} (( segid " " and resid 2327 and name HB3 )) (( segid " " and resid 2327 and name HG2 )) ASSI { 678} (( segid " " and resid 2327 and name HG3 )) (( segid " " and resid 2327 and name HD2 )) 3.000 1.100 1.100 peak 678 spectrum 1 weight 0.10000E+01 volume 0.19883E-02 ppm1 1.486 ppm2 1.775 CV 1 OR { 678} (( segid " " and resid 2327 and name HG2 )) (( segid " " and resid 2327 and name HB2 )) OR { 678} (( segid " " and resid 2327 and name HG2 )) (( segid " " and resid 2327 and name HD3 )) OR { 678} (( segid " " and resid 2327 and name HG2 )) (( segid " " and resid 2327 and name HD2 )) OR { 678} (( segid " " and resid 2327 and name HG3 )) (( segid " " and resid 2327 and name HB2 )) ASSI { 686} (( segid " " and resid 2328 and name HA )) (( segid " " and resid 2328 and name HG3 )) 3.100 1.200 1.200 peak 686 spectrum 1 weight 0.10000E+01 volume 0.47822E-02 ppm1 4.520 ppm2 2.139 CV 1 ASSI { 687} (( segid " " and resid 2328 and name HA )) (( segid " " and resid 2328 and name HB2 )) 2.400 0.700 0.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.11573E-01 ppm1 4.514 ppm2 2.036 CV 1 ASSI { 688} (( segid " " and resid 2328 and name HA )) (( segid " " and resid 2328 and name HG2 )) 3.000 1.100 1.100 peak 688 spectrum 1 weight 0.10000E+01 volume 0.65258E-02 ppm1 4.521 ppm2 1.929 CV 1 ASSI { 690} (( segid " " and resid 2332 and name HA )) (( segid " " and resid 2332 and name HB3 )) 1.900 0.500 0.500 peak 690 spectrum 1 weight 0.10000E+01 volume 0.22871E-01 ppm1 4.510 ppm2 2.419 CV 1 ASSI { 692} (( segid " " and resid 2328 and name HA )) (( segid " " and resid 2329 and name H )) 1.900 0.500 0.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.25807E-01 ppm1 4.519 ppm2 8.584 CV 1 ASSI { 693} (( segid " " and resid 2332 and name HA )) (( segid " " and resid 2333 and name H )) 2.000 0.500 0.500 peak 693 spectrum 1 weight 0.10000E+01 volume 0.21005E-01 ppm1 4.510 ppm2 8.425 CV 1 ASSI { 694} (( segid " " and resid 2328 and name HB3 )) (( segid " " and resid 2329 and name H )) 3.800 1.800 1.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.21209E-02 ppm1 2.339 ppm2 8.586 CV 1 ASSI { 697} (( segid " " and resid 2328 and name HB3 )) (( segid " " and resid 2328 and name HG3 )) 2.000 0.500 0.500 peak 697 spectrum 1 weight 0.10000E+01 volume 0.12287E-01 ppm1 2.341 ppm2 2.141 CV 1 ASSI { 699} (( segid " " and resid 2328 and name HB3 )) (( segid " " and resid 2328 and name HG2 )) 2.600 0.800 0.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.10625E-01 ppm1 2.340 ppm2 1.949 CV 1 ASSI { 703} (( segid " " and resid 2350 and name HB3 )) (( segid " " and resid 2350 and name H )) 2.900 1.100 1.100 peak 703 spectrum 1 weight 0.10000E+01 volume 0.21413E-02 ppm1 2.005 ppm2 8.543 CV 1 OR { 703} (( segid " " and resid 2350 and name HB2 )) (( segid " " and resid 2350 and name H )) ASSI { 705} (( segid " " and resid 2328 and name HG2 )) (( segid " " and resid 2328 and name HD2 )) 2.500 0.800 0.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.48331E-02 ppm1 1.945 ppm2 3.751 CV 1 OR { 705} (( segid " " and resid 2328 and name HG2 )) (( segid " " and resid 2328 and name HD3 )) ASSI { 708} (( segid " " and resid 2328 and name HG3 )) (( segid " " and resid 2328 and name HG2 )) 1.700 0.300 0.500 peak 708 spectrum 1 weight 0.10000E+01 volume 0.25053E-01 ppm1 2.141 ppm2 1.944 CV 1 ASSI { 715} (( segid " " and resid 2328 and name HD3 )) (( segid " " and resid 2327 and name H )) 4.000 2.000 2.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.85652E-03 ppm1 3.759 ppm2 8.219 CV 1 OR { 715} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2327 and name H )) ASSI { 717} (( segid " " and resid 2328 and name HD3 )) (( segid " " and resid 2328 and name HA )) 3.400 1.500 1.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.12950E-02 ppm1 3.765 ppm2 4.516 CV 1 OR { 717} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2328 and name HA )) ASSI { 718} (( segid " " and resid 2328 and name HD3 )) (( segid " " and resid 2328 and name HB3 )) 3.200 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.24472E-02 ppm1 3.758 ppm2 2.340 CV 1 OR { 718} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2328 and name HB3 )) ASSI { 720} (( segid " " and resid 2328 and name HD3 )) (( segid " " and resid 2328 and name HG3 )) 2.400 0.700 0.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.66482E-02 ppm1 3.762 ppm2 2.140 CV 1 OR { 720} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2328 and name HG3 )) ASSI { 722} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2328 and name HB2 )) 3.500 1.500 1.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.24268E-02 ppm1 3.764 ppm2 2.040 CV 1 OR { 722} (( segid " " and resid 2328 and name HD3 )) (( segid " " and resid 2328 and name HB2 )) ASSI { 723} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2327 and name HG2 )) 3.800 1.800 1.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 3.756 ppm2 1.512 CV 1 OR { 723} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2327 and name HG3 )) OR { 723} (( segid " " and resid 2328 and name HD3 )) (( segid " " and resid 2327 and name HG3 )) ASSI { 724} (( segid " " and resid 2328 and name HD3 )) ( segid " " and resid 2346 and name HD2%) 2.900 1.000 1.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.17436E-02 ppm1 3.752 ppm2 1.006 CV 1 ASSI { 726} (( segid " " and resid 2329 and name HA )) (( segid " " and resid 2329 and name HB3 )) 2.400 0.700 0.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.83609E-02 ppm1 4.363 ppm2 1.924 CV 1 OR { 726} (( segid " " and resid 2329 and name HA )) (( segid " " and resid 2329 and name HB2 )) ASSI { 727} (( segid " " and resid 2329 and name HA )) (( segid " " and resid 2329 and name HG3 )) 2.700 0.900 0.900 peak 727 spectrum 1 weight 0.10000E+01 volume 0.45987E-02 ppm1 4.361 ppm2 1.793 CV 1 OR { 727} (( segid " " and resid 2329 and name HA )) (( segid " " and resid 2329 and name HG2 )) ASSI { 729} (( segid " " and resid 2329 and name HA )) (( segid " " and resid 2330 and name H )) 2.300 0.700 0.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.87996E-02 ppm1 4.363 ppm2 8.342 CV 1 ASSI { 730} (( segid " " and resid 2329 and name HA )) (( segid " " and resid 2329 and name H )) 2.600 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.52309E-02 ppm1 4.361 ppm2 8.583 CV 1 ASSI { 733} (( segid " " and resid 2329 and name HB3 )) (( segid " " and resid 2331 and name H )) 4.000 2.000 2.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.78512E-03 ppm1 1.930 ppm2 8.229 CV 1 OR { 733} (( segid " " and resid 2329 and name HB2 )) (( segid " " and resid 2331 and name H )) ASSI { 736} (( segid " " and resid 2329 and name HB3 )) (( segid " " and resid 2329 and name HG3 )) 2.500 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.57917E-02 ppm1 1.914 ppm2 1.786 CV 1 OR { 736} (( segid " " and resid 2329 and name HB2 )) (( segid " " and resid 2329 and name HG2 )) OR { 736} (( segid " " and resid 2329 and name HB2 )) (( segid " " and resid 2329 and name HG3 )) OR { 736} (( segid " " and resid 2329 and name HB3 )) (( segid " " and resid 2329 and name HG2 )) ASSI { 743} (( segid " " and resid 2329 and name HD3 )) (( segid " " and resid 2329 and name HA )) 2.900 1.100 1.100 peak 743 spectrum 1 weight 0.10000E+01 volume 0.37421E-02 ppm1 3.314 ppm2 4.352 CV 1 OR { 743} (( segid " " and resid 2329 and name HD2 )) (( segid " " and resid 2329 and name HA )) ASSI { 748} (( segid " " and resid 2419 and name HA )) ( segid " " and resid 2414 and name HB% ) 3.000 1.100 1.100 peak 748 spectrum 1 weight 0.10000E+01 volume 0.26817E-02 ppm1 4.381 ppm2 1.671 CV 1 ASSI { 749} (( segid " " and resid 2330 and name HA )) (( segid " " and resid 2331 and name HB2 )) 4.300 2.300 1.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.10502E-02 ppm1 4.385 ppm2 1.798 CV 1 OR { 749} (( segid " " and resid 2330 and name HA )) (( segid " " and resid 2331 and name HD2 )) ASSI { 751} (( segid " " and resid 2330 and name HA )) (( segid " " and resid 2331 and name HA )) 3.100 1.200 1.200 peak 751 spectrum 1 weight 0.10000E+01 volume 0.40277E-02 ppm1 4.383 ppm2 4.698 CV 1 ASSI { 753} (( segid " " and resid 2330 and name HA )) (( segid " " and resid 2331 and name H )) 1.900 0.400 0.400 peak 753 spectrum 1 weight 0.10000E+01 volume 0.26215E-01 ppm1 4.384 ppm2 8.221 CV 1 ASSI { 754} ( segid " " and resid 2330 and name HB% ) (( segid " " and resid 2330 and name H )) 3.100 1.200 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.23656E-02 ppm1 1.460 ppm2 8.354 CV 1 ASSI { 755} ( segid " " and resid 2330 and name HB% ) (( segid " " and resid 2331 and name H )) 3.200 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.35892E-02 ppm1 1.461 ppm2 8.232 CV 1 ASSI { 759} (( segid " " and resid 2331 and name HA )) (( segid " " and resid 2332 and name HD3 )) 1.900 0.400 0.400 peak 759 spectrum 1 weight 0.10000E+01 volume 0.26603E-01 ppm1 4.724 ppm2 3.906 CV 1 ASSI { 763} (( segid " " and resid 2331 and name HB2 )) (( segid " " and resid 2330 and name HA )) 4.100 2.100 1.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.14581E-02 ppm1 1.794 ppm2 4.376 CV 1 ASSI { 764} (( segid " " and resid 2331 and name HB2 )) (( segid " " and resid 2332 and name HD3 )) 4.100 2.100 1.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.21311E-02 ppm1 1.796 ppm2 3.903 CV 1 ASSI { 766} (( segid " " and resid 2331 and name HB2 )) (( segid " " and resid 2331 and name HE2 )) 4.000 2.000 2.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.85652E-03 ppm1 1.795 ppm2 3.097 CV 1 OR { 766} (( segid " " and resid 2331 and name HB2 )) (( segid " " and resid 2331 and name HE3 )) ASSI { 770} (( segid " " and resid 2331 and name HB3 )) (( segid " " and resid 2331 and name HB2 )) 2.200 0.600 0.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.51595E-02 ppm1 1.915 ppm2 1.802 CV 1 OR { 770} (( segid " " and resid 2331 and name HB3 )) (( segid " " and resid 2331 and name HD3 )) ASSI { 780} (( segid " " and resid 2472 and name HG3 )) ( segid " " and resid 2471 and name HG1%) 3.400 1.400 1.400 peak 780 spectrum 1 weight 0.10000E+01 volume 0.47414E-02 ppm1 1.764 ppm2 1.019 CV 1 ASSI { 786} (( segid " " and resid 2332 and name HB3 )) (( segid " " and resid 2332 and name HD2 )) 3.300 1.400 1.400 peak 786 spectrum 1 weight 0.10000E+01 volume 0.39563E-02 ppm1 2.423 ppm2 3.719 CV 1 ASSI { 788} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2327 and name HG2 )) 2.900 1.000 1.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 3.730 ppm2 1.512 CV 1 OR { 788} (( segid " " and resid 2328 and name HD2 )) (( segid " " and resid 2327 and name HG3 )) ASSI { 789} (( segid " " and resid 2332 and name HD2 )) (( segid " " and resid 2331 and name HB2 )) 2.700 0.900 0.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.81774E-02 ppm1 3.730 ppm2 1.793 CV 1 ASSI { 795} (( segid " " and resid 2332 and name HD2 )) (( segid " " and resid 2331 and name HA )) 1.900 0.400 0.400 peak 795 spectrum 1 weight 0.10000E+01 volume 0.24808E-01 ppm1 3.726 ppm2 4.724 CV 1 ASSI { 798} (( segid " " and resid 2332 and name HD2 )) (( segid " " and resid 2333 and name H )) 3.500 1.500 1.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 3.728 ppm2 8.428 CV 1 ASSI { 800} (( segid " " and resid 2332 and name HD3 )) (( segid " " and resid 2332 and name HD2 )) 1.400 0.200 0.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.78291E-01 ppm1 3.907 ppm2 3.726 CV 1 ASSI { 805} (( segid " " and resid 2332 and name HD3 )) (( segid " " and resid 2331 and name HG2 )) 4.400 2.400 1.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 3.900 ppm2 1.540 CV 1 OR { 805} (( segid " " and resid 2332 and name HD3 )) (( segid " " and resid 2331 and name HG3 )) ASSI { 806} (( segid " " and resid 2333 and name HA )) (( segid " " and resid 2334 and name H )) 2.200 0.600 0.600 peak 806 spectrum 1 weight 0.10000E+01 volume 0.11858E-01 ppm1 4.329 ppm2 8.532 CV 1 ASSI { 807} (( segid " " and resid 2333 and name HA )) (( segid " " and resid 2333 and name H )) 2.600 0.800 0.800 peak 807 spectrum 1 weight 0.10000E+01 volume 0.53532E-02 ppm1 4.329 ppm2 8.428 CV 1 ASSI { 808} (( segid " " and resid 2375 and name HA )) (( segid " " and resid 2375 and name H )) 2.600 0.900 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.45477E-02 ppm1 4.345 ppm2 8.208 CV 1 ASSI { 812} (( segid " " and resid 2334 and name HA )) (( segid " " and resid 2334 and name HB2 )) 2.300 0.700 0.700 peak 812 spectrum 1 weight 0.10000E+01 volume 0.10788E-01 ppm1 4.380 ppm2 2.039 CV 1 ASSI { 813} (( segid " " and resid 2334 and name HA )) (( segid " " and resid 2334 and name HB3 )) 2.100 0.600 0.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.17640E-01 ppm1 4.381 ppm2 2.199 CV 1 ASSI { 815} (( segid " " and resid 2334 and name HA )) (( segid " " and resid 2335 and name H )) 2.200 0.600 0.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.13082E-01 ppm1 4.381 ppm2 8.259 CV 1 ASSI { 816} (( segid " " and resid 2337 and name HB3 )) (( segid " " and resid 2338 and name H )) 2.700 0.900 0.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.36504E-02 ppm1 2.202 ppm2 8.379 CV 1 ASSI { 818} (( segid " " and resid 2368 and name HB2 )) (( segid " " and resid 2368 and name HA )) 2.300 0.600 0.600 peak 818 spectrum 1 weight 0.10000E+01 volume 0.79738E-02 ppm1 2.024 ppm2 4.073 CV 1 ASSI { 824} (( segid " " and resid 2335 and name HA )) (( segid " " and resid 2336 and name H )) 2.300 0.700 0.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.11614E-01 ppm1 4.368 ppm2 8.191 CV 1 ASSI { 825} (( segid " " and resid 2335 and name HA )) (( segid " " and resid 2335 and name H )) 2.600 0.900 0.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.52512E-02 ppm1 4.371 ppm2 8.258 CV 1 ASSI { 827} (( segid " " and resid 2336 and name HA )) (( segid " " and resid 2336 and name HB2 )) 2.200 0.600 0.600 peak 827 spectrum 1 weight 0.10000E+01 volume 0.15458E-01 ppm1 4.650 ppm2 2.795 CV 1 OR { 827} (( segid " " and resid 2336 and name HA )) (( segid " " and resid 2336 and name HB3 )) ASSI { 837} (( segid " " and resid 2316 and name HG12)) ( segid " " and resid 2316 and name HG2%) 3.600 1.600 1.600 peak 837 spectrum 1 weight 0.10000E+01 volume 0.50983E-03 ppm1 2.084 ppm2 1.114 CV 1 ASSI { 843} (( segid " " and resid 2316 and name HG12)) (( segid " " and resid 2316 and name HA )) 2.700 0.900 0.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.22534E-02 ppm1 2.078 ppm2 3.746 CV 1 ASSI { 846} (( segid " " and resid 2338 and name HA )) (( segid " " and resid 2339 and name H )) 2.100 0.600 0.600 peak 846 spectrum 1 weight 0.10000E+01 volume 0.16008E-01 ppm1 4.445 ppm2 8.067 CV 1 ASSI { 848} (( segid " " and resid 2338 and name HB3 )) (( segid " " and resid 2338 and name H )) 2.900 1.000 1.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.35382E-02 ppm1 3.981 ppm2 8.380 CV 1 OR { 848} (( segid " " and resid 2338 and name HB2 )) (( segid " " and resid 2338 and name H )) ASSI { 849} (( segid " " and resid 2338 and name HB3 )) (( segid " " and resid 2339 and name H )) 3.300 1.400 1.400 peak 849 spectrum 1 weight 0.10000E+01 volume 0.28958E-02 ppm1 3.983 ppm2 8.069 CV 1 OR { 849} (( segid " " and resid 2338 and name HB2 )) (( segid " " and resid 2339 and name H )) ASSI { 850} (( segid " " and resid 2420 and name HB3 )) (( segid " " and resid 2423 and name HB3 )) 2.600 0.900 0.900 peak 850 spectrum 1 weight 0.10000E+01 volume 0.62403E-02 ppm1 3.961 ppm2 2.015 CV 1 ASSI { 851} (( segid " " and resid 2420 and name HB3 )) (( segid " " and resid 2423 and name HG3 )) 3.000 1.100 1.100 peak 851 spectrum 1 weight 0.10000E+01 volume 0.33037E-02 ppm1 3.966 ppm2 1.581 CV 1 ASSI { 854} (( segid " " and resid 2445 and name HA )) (( segid " " and resid 2445 and name HD3 )) 3.100 1.200 1.200 peak 854 spectrum 1 weight 0.10000E+01 volume 0.50983E-02 ppm1 4.452 ppm2 1.266 CV 1 ASSI { 855} (( segid " " and resid 2445 and name HA )) (( segid " " and resid 2445 and name HB2 )) 2.600 0.800 0.800 peak 855 spectrum 1 weight 0.10000E+01 volume 0.64749E-02 ppm1 4.447 ppm2 1.493 CV 1 ASSI { 856} (( segid " " and resid 2445 and name HA )) (( segid " " and resid 2445 and name H )) 2.700 0.900 0.900 peak 856 spectrum 1 weight 0.10000E+01 volume 0.32935E-02 ppm1 4.449 ppm2 7.123 CV 1 ASSI { 857} (( segid " " and resid 2445 and name HA )) (( segid " " and resid 2446 and name H )) 2.800 1.000 1.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.33955E-02 ppm1 4.445 ppm2 7.816 CV 1 ASSI { 858} (( segid " " and resid 2339 and name HB2 )) (( segid " " and resid 2339 and name H )) 3.000 1.100 1.100 peak 858 spectrum 1 weight 0.10000E+01 volume 0.27327E-02 ppm1 1.720 ppm2 8.069 CV 1 OR { 858} (( segid " " and resid 2339 and name HB3 )) (( segid " " and resid 2339 and name H )) ASSI { 859} (( segid " " and resid 2339 and name HB3 )) (( segid " " and resid 2341 and name H )) 3.900 1.900 1.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.61179E-03 ppm1 1.706 ppm2 8.378 CV 1 OR { 859} (( segid " " and resid 2339 and name HB2 )) (( segid " " and resid 2341 and name H )) ASSI { 860} (( segid " " and resid 2339 and name HB3 )) (( segid " " and resid 2339 and name HA )) 2.800 1.000 1.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.31099E-02 ppm1 1.719 ppm2 4.459 CV 1 OR { 860} (( segid " " and resid 2339 and name HB2 )) (( segid " " and resid 2339 and name HA )) ASSI { 861} (( segid " " and resid 2339 and name HB2 )) ( segid " " and resid 2339 and name HD1%) 3.300 1.400 1.400 peak 861 spectrum 1 weight 0.10000E+01 volume 0.13459E-02 ppm1 1.720 ppm2 0.987 CV 1 OR { 861} (( segid " " and resid 2339 and name HB3 )) ( segid " " and resid 2339 and name HD1%) ASSI { 865} (( segid " " and resid 2456 and name HG )) (( segid " " and resid 2456 and name HA )) 3.200 1.300 1.300 peak 865 spectrum 1 weight 0.10000E+01 volume 0.11318E-02 ppm1 1.702 ppm2 4.034 CV 1 ASSI { 866} (( segid " " and resid 2339 and name HG )) (( segid " " and resid 2339 and name HA )) 2.700 0.900 0.900 peak 866 spectrum 1 weight 0.10000E+01 volume 0.42723E-02 ppm1 1.719 ppm2 4.458 CV 1 ASSI { 867} (( segid " " and resid 2456 and name HG )) (( segid " " and resid 2453 and name HA )) 3.500 1.500 1.500 peak 867 spectrum 1 weight 0.10000E+01 volume 0.25899E-02 ppm1 1.714 ppm2 4.629 CV 1 ASSI { 868} (( segid " " and resid 2339 and name HG )) (( segid " " and resid 2339 and name H )) 2.500 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.54755E-02 ppm1 1.724 ppm2 8.076 CV 1 ASSI { 869} ( segid " " and resid 2339 and name HD1%) (( segid " " and resid 2339 and name HG )) 2.600 0.800 0.800 peak 869 spectrum 1 weight 0.10000E+01 volume 0.52003E-02 ppm1 0.987 ppm2 1.722 CV 1 OR { 869} ( segid " " and resid 2339 and name HD1%) (( segid " " and resid 2339 and name HB2 )) OR { 869} ( segid " " and resid 2339 and name HD1%) (( segid " " and resid 2339 and name HB3 )) ASSI { 870} ( segid " " and resid 2339 and name HD2%) (( segid " " and resid 2339 and name HG )) 2.700 0.900 0.900 peak 870 spectrum 1 weight 0.10000E+01 volume 0.40990E-02 ppm1 0.929 ppm2 1.720 CV 1 OR { 870} ( segid " " and resid 2339 and name HD2%) (( segid " " and resid 2339 and name HB3 )) ASSI { 871} (( segid " " and resid 2340 and name HA )) (( segid " " and resid 2340 and name H )) 2.500 0.800 0.800 peak 871 spectrum 1 weight 0.10000E+01 volume 0.56387E-02 ppm1 4.819 ppm2 8.596 CV 1 ASSI { 872} (( segid " " and resid 2340 and name HA )) (( segid " " and resid 2341 and name H )) 2.400 0.700 0.700 peak 872 spectrum 1 weight 0.10000E+01 volume 0.84734E-02 ppm1 4.820 ppm2 8.396 CV 1 ASSI { 873} (( segid " " and resid 2340 and name HA )) (( segid " " and resid 2344 and name H )) 3.300 1.400 1.400 peak 873 spectrum 1 weight 0.10000E+01 volume 0.19373E-02 ppm1 4.820 ppm2 8.229 CV 1 ASSI { 874} (( segid " " and resid 2340 and name HA )) (( segid " " and resid 2340 and name HB2 )) 2.500 0.800 0.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.61384E-02 ppm1 4.819 ppm2 3.037 CV 1 OR { 874} (( segid " " and resid 2340 and name HA )) (( segid " " and resid 2340 and name HB3 )) ASSI { 875} (( segid " " and resid 2340 and name HB2 )) (( segid " " and resid 2343 and name HB2 )) 3.500 1.600 1.600 peak 875 spectrum 1 weight 0.10000E+01 volume 0.70354E-03 ppm1 3.030 ppm2 2.175 CV 1 OR { 875} (( segid " " and resid 2340 and name HB3 )) (( segid " " and resid 2343 and name HB2 )) ASSI { 879} (( segid " " and resid 2340 and name HB3 )) (( segid " " and resid 2341 and name H )) 3.700 1.700 1.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.12643E-02 ppm1 3.026 ppm2 8.404 CV 1 OR { 879} (( segid " " and resid 2340 and name HB2 )) (( segid " " and resid 2341 and name H )) ASSI { 882} (( segid " " and resid 2341 and name HA )) (( segid " " and resid 2344 and name HG3 )) 2.500 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 4.405 ppm2 2.421 CV 1 ASSI { 883} (( segid " " and resid 2341 and name HA )) (( segid " " and resid 2344 and name HB2 )) 2.400 0.700 0.700 peak 883 spectrum 1 weight 0.10000E+01 volume 0.65360E-02 ppm1 4.405 ppm2 2.315 CV 1 ASSI { 885} (( segid " " and resid 2341 and name HA )) (( segid " " and resid 2344 and name HG2 )) 3.800 1.800 1.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.21311E-02 ppm1 4.405 ppm2 2.623 CV 1 ASSI { 886} (( segid " " and resid 2341 and name HA )) (( segid " " and resid 2341 and name HB3 )) 2.500 0.800 0.800 peak 886 spectrum 1 weight 0.10000E+01 volume 0.99516E-02 ppm1 4.405 ppm2 3.334 CV 1 ASSI { 887} (( segid " " and resid 2341 and name HA )) (( segid " " and resid 2341 and name HB2 )) 2.200 0.600 0.600 peak 887 spectrum 1 weight 0.10000E+01 volume 0.78512E-02 ppm1 4.406 ppm2 3.106 CV 1 ASSI { 889} (( segid " " and resid 2341 and name HA )) (( segid " " and resid 2341 and name H )) 2.500 0.800 0.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.46701E-02 ppm1 4.405 ppm2 8.397 CV 1 ASSI { 890} (( segid " " and resid 2341 and name HA )) (( segid " " and resid 2344 and name H )) 3.000 1.100 1.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.38543E-02 ppm1 4.404 ppm2 8.217 CV 1 ASSI { 892} (( segid " " and resid 2341 and name HA )) (( segid " " and resid 2342 and name H )) 2.900 1.000 1.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.28245E-02 ppm1 4.404 ppm2 8.987 CV 1 ASSI { 893} (( segid " " and resid 2341 and name HB2 )) (( segid " " and resid 2342 and name H )) 3.300 1.400 1.400 peak 893 spectrum 1 weight 0.10000E+01 volume 0.45579E-02 ppm1 3.109 ppm2 8.990 CV 1 ASSI { 897} (( segid " " and resid 2341 and name HB2 )) (( segid " " and resid 2341 and name HB3 )) 1.600 0.300 0.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.25848E-01 ppm1 3.110 ppm2 3.337 CV 1 ASSI { 898} (( segid " " and resid 2341 and name HB2 )) (( segid " " and resid 2344 and name HB2 )) 3.500 1.500 1.500 peak 898 spectrum 1 weight 0.10000E+01 volume 0.23758E-02 ppm1 3.104 ppm2 2.346 CV 1 ASSI { 899} (( segid " " and resid 2341 and name HB2 )) ( segid " " and resid 2477 and name HB% ) 3.500 1.500 1.500 peak 899 spectrum 1 weight 0.10000E+01 volume 0.78512E-03 ppm1 3.108 ppm2 1.294 CV 1 ASSI { 904} (( segid " " and resid 2341 and name HB3 )) (( segid " " and resid 2341 and name H )) 2.300 0.700 0.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.51696E-02 ppm1 3.339 ppm2 8.396 CV 1 ASSI { 905} (( segid " " and resid 2341 and name HB3 )) (( segid " " and resid 2342 and name H )) 2.600 0.800 0.800 peak 905 spectrum 1 weight 0.10000E+01 volume 0.27429E-02 ppm1 3.337 ppm2 8.983 CV 1 ASSI { 906} (( segid " " and resid 2342 and name HA )) (( segid " " and resid 2342 and name H )) 2.400 0.700 0.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.67300E-02 ppm1 3.654 ppm2 8.989 CV 1 ASSI { 907} (( segid " " and resid 2342 and name HA )) (( segid " " and resid 2343 and name H )) 2.800 1.000 1.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.33751E-02 ppm1 3.653 ppm2 8.265 CV 1 ASSI { 908} (( segid " " and resid 2342 and name HA )) (( segid " " and resid 2346 and name H )) 3.100 1.200 1.200 peak 908 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 3.649 ppm2 8.092 CV 1 ASSI { 910} (( segid " " and resid 2342 and name HA )) (( segid " " and resid 2415 and name HA )) 3.700 1.700 1.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.13154E-02 ppm1 3.651 ppm2 3.961 CV 1 ASSI { 911} (( segid " " and resid 2342 and name HA )) (( segid " " and resid 2342 and name HB3 )) 2.700 0.900 0.900 peak 911 spectrum 1 weight 0.10000E+01 volume 0.38237E-02 ppm1 3.653 ppm2 1.952 CV 1 OR { 911} (( segid " " and resid 2342 and name HA )) (( segid " " and resid 2342 and name HB2 )) ASSI { 912} (( segid " " and resid 2342 and name HA )) (( segid " " and resid 2342 and name HG3 )) 2.500 0.800 0.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.11573E-01 ppm1 3.652 ppm2 2.354 CV 1 ASSI { 913} (( segid " " and resid 2342 and name HA )) (( segid " " and resid 2342 and name HG2 )) 2.500 0.800 0.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.53022E-02 ppm1 3.651 ppm2 2.609 CV 1 ASSI { 914} (( segid " " and resid 2342 and name HA )) (( segid " " and resid 2345 and name HG13)) 3.100 1.200 1.200 peak 914 spectrum 1 weight 0.10000E+01 volume 0.19883E-02 ppm1 3.653 ppm2 1.294 CV 1 ASSI { 915} (( segid " " and resid 2342 and name HA )) ( segid " " and resid 2415 and name HG2%) 3.800 1.800 1.800 peak 915 spectrum 1 weight 0.10000E+01 volume 0.60160E-03 ppm1 3.656 ppm2 1.197 CV 1 ASSI { 916} (( segid " " and resid 2342 and name HA )) ( segid " " and resid 2415 and name HG1%) 4.200 2.200 1.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.75458E-03 ppm1 3.648 ppm2 1.071 CV 1 ASSI { 917} (( segid " " and resid 2342 and name HA )) (( segid " " and resid 2345 and name HG12)) 2.800 1.000 1.000 peak 917 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 3.651 ppm2 1.002 CV 1 ASSI { 918} (( segid " " and resid 2342 and name HA )) ( segid " " and resid 2345 and name HG2%) 3.900 1.900 1.900 peak 918 spectrum 1 weight 0.10000E+01 volume 0.99925E-03 ppm1 3.653 ppm2 0.831 CV 1 ASSI { 919} (( segid " " and resid 2342 and name HA )) ( segid " " and resid 2345 and name HD1%) 3.900 1.900 1.900 peak 919 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 3.654 ppm2 0.674 CV 1 ASSI { 921} (( segid " " and resid 2342 and name HB3 )) ( segid " " and resid 2415 and name HG2%) 4.700 2.800 1.300 peak 921 spectrum 1 weight 0.10000E+01 volume 0.23452E-03 ppm1 1.967 ppm2 1.192 CV 1 OR { 921} (( segid " " and resid 2342 and name HB2 )) ( segid " " and resid 2415 and name HG2%) ASSI { 928} (( segid " " and resid 2342 and name HG3 )) (( segid " " and resid 2343 and name H )) 3.800 1.800 1.800 peak 928 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 2.358 ppm2 8.252 CV 1 ASSI { 929} (( segid " " and resid 2342 and name HG3 )) ( segid " " and resid 2341 and name HD% ) 3.800 1.800 1.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.52003E-03 ppm1 2.359 ppm2 7.325 CV 1 ASSI { 930} (( segid " " and resid 2342 and name HG3 )) (( segid " " and resid 2415 and name HA )) 3.800 1.800 1.800 peak 930 spectrum 1 weight 0.10000E+01 volume 0.26307E-02 ppm1 2.364 ppm2 3.967 CV 1 ASSI { 932} (( segid " " and resid 2342 and name HG3 )) (( segid " " and resid 2342 and name HG2 )) 1.700 0.300 0.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.24727E-01 ppm1 2.361 ppm2 2.610 CV 1 ASSI { 933} (( segid " " and resid 2342 and name HG3 )) (( segid " " and resid 2342 and name HB2 )) 2.600 0.900 0.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.42214E-02 ppm1 2.361 ppm2 1.960 CV 1 OR { 933} (( segid " " and resid 2342 and name HG3 )) (( segid " " and resid 2342 and name HB3 )) ASSI { 934} (( segid " " and resid 2342 and name HG3 )) ( segid " " and resid 2415 and name HG1%) 4.600 2.700 1.400 peak 934 spectrum 1 weight 0.10000E+01 volume 0.64238E-03 ppm1 2.356 ppm2 1.076 CV 1 ASSI { 935} (( segid " " and resid 2342 and name HG2 )) ( segid " " and resid 2415 and name HG2%) 4.400 2.400 1.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.49963E-03 ppm1 2.615 ppm2 1.188 CV 1 ASSI { 936} (( segid " " and resid 2342 and name HG2 )) ( segid " " and resid 2415 and name HG1%) 4.300 2.400 1.700 peak 936 spectrum 1 weight 0.10000E+01 volume 0.68318E-03 ppm1 2.615 ppm2 1.070 CV 1 ASSI { 937} (( segid " " and resid 2342 and name HG2 )) (( segid " " and resid 2342 and name HB3 )) 2.700 0.900 0.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.41398E-02 ppm1 2.610 ppm2 1.959 CV 1 OR { 937} (( segid " " and resid 2342 and name HG2 )) (( segid " " and resid 2342 and name HB2 )) ASSI { 939} (( segid " " and resid 2342 and name HG2 )) (( segid " " and resid 2415 and name HA )) 3.000 1.100 1.100 peak 939 spectrum 1 weight 0.10000E+01 volume 0.36096E-02 ppm1 2.616 ppm2 3.968 CV 1 ASSI { 941} (( segid " " and resid 2342 and name HG2 )) ( segid " " and resid 2341 and name HD% ) 4.000 2.000 2.000 peak 941 spectrum 1 weight 0.10000E+01 volume 0.42826E-03 ppm1 2.610 ppm2 7.318 CV 1 ASSI { 942} (( segid " " and resid 2342 and name HG2 )) (( segid " " and resid 2343 and name H )) 4.300 2.300 1.700 peak 942 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 2.607 ppm2 8.253 CV 1 ASSI { 943} (( segid " " and resid 2342 and name HG2 )) (( segid " " and resid 2342 and name H )) 3.400 1.500 1.500 peak 943 spectrum 1 weight 0.10000E+01 volume 0.31304E-02 ppm1 2.610 ppm2 8.989 CV 1 ASSI { 944} (( segid " " and resid 2343 and name HA )) (( segid " " and resid 2343 and name H )) 2.300 0.700 0.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.85551E-02 ppm1 4.021 ppm2 8.251 CV 1 ASSI { 945} (( segid " " and resid 2343 and name HA )) (( segid " " and resid 2346 and name H )) 2.700 0.900 0.900 peak 945 spectrum 1 weight 0.10000E+01 volume 0.42826E-02 ppm1 4.022 ppm2 8.088 CV 1 ASSI { 946} (( segid " " and resid 2343 and name HA )) (( segid " " and resid 2343 and name HG2 )) 2.200 0.600 0.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.87286E-02 ppm1 4.022 ppm2 2.344 CV 1 ASSI { 948} (( segid " " and resid 2343 and name HA )) (( segid " " and resid 2343 and name HB2 )) 2.500 0.800 0.800 peak 948 spectrum 1 weight 0.10000E+01 volume 0.10757E-01 ppm1 4.022 ppm2 2.163 CV 1 ASSI { 949} (( segid " " and resid 2343 and name HA )) (( segid " " and resid 2343 and name HG3 )) 2.800 1.000 1.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.53430E-02 ppm1 4.021 ppm2 2.508 CV 1 ASSI { 950} (( segid " " and resid 2343 and name HA )) (( segid " " and resid 2346 and name HB3 )) 2.300 0.700 0.700 peak 950 spectrum 1 weight 0.10000E+01 volume 0.53328E-02 ppm1 4.021 ppm2 1.919 CV 1 ASSI { 951} (( segid " " and resid 2343 and name HA )) (( segid " " and resid 2346 and name HB2 )) 2.700 0.900 0.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.55674E-02 ppm1 4.022 ppm2 1.780 CV 1 ASSI { 952} (( segid " " and resid 2343 and name HA )) ( segid " " and resid 2346 and name HD2%) 3.600 1.600 1.600 peak 952 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 4.023 ppm2 1.013 CV 1 ASSI { 955} (( segid " " and resid 2343 and name HB3 )) (( segid " " and resid 2343 and name HB2 )) 1.700 0.400 0.500 peak 955 spectrum 1 weight 0.10000E+01 volume 0.22086E-01 ppm1 2.263 ppm2 2.157 CV 1 ASSI { 957} (( segid " " and resid 2343 and name HG3 )) (( segid " " and resid 2343 and name HB2 )) 2.100 0.600 0.600 peak 957 spectrum 1 weight 0.10000E+01 volume 0.10777E-01 ppm1 2.513 ppm2 2.163 CV 1 ASSI { 959} (( segid " " and resid 2343 and name HG3 )) (( segid " " and resid 2343 and name H )) 2.200 0.600 0.600 peak 959 spectrum 1 weight 0.10000E+01 volume 0.85752E-02 ppm1 2.513 ppm2 8.250 CV 1 ASSI { 963} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2344 and name HG2 )) 2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.56591E-02 ppm1 4.108 ppm2 2.605 CV 1 ASSI { 964} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2344 and name H )) 2.200 0.600 0.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.97581E-02 ppm1 4.107 ppm2 8.210 CV 1 ASSI { 965} (( segid " " and resid 2344 and name HB2 )) (( segid " " and resid 2344 and name H )) 2.400 0.700 0.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.62505E-02 ppm1 2.316 ppm2 8.215 CV 1 ASSI { 968} (( segid " " and resid 2344 and name HB2 )) (( segid " " and resid 2344 and name HG3 )) 1.900 0.400 0.400 peak 968 spectrum 1 weight 0.10000E+01 volume 0.16722E-01 ppm1 2.322 ppm2 2.432 CV 1 ASSI { 969} (( segid " " and resid 2344 and name HB2 )) (( segid " " and resid 2344 and name HB3 )) 1.800 0.400 0.400 peak 969 spectrum 1 weight 0.10000E+01 volume 0.11583E-01 ppm1 2.315 ppm2 2.149 CV 1 ASSI { 972} (( segid " " and resid 2344 and name HB3 )) (( segid " " and resid 2344 and name H )) 3.200 1.200 1.200 peak 972 spectrum 1 weight 0.10000E+01 volume 0.42418E-02 ppm1 2.148 ppm2 8.210 CV 1 ASSI { 973} (( segid " " and resid 2344 and name HG2 )) (( segid " " and resid 2344 and name H )) 2.400 0.700 0.700 peak 973 spectrum 1 weight 0.10000E+01 volume 0.90956E-02 ppm1 2.612 ppm2 8.212 CV 1 ASSI { 974} (( segid " " and resid 2344 and name HG2 )) (( segid " " and resid 2344 and name HE21)) 2.300 0.700 0.700 peak 974 spectrum 1 weight 0.10000E+01 volume 0.50065E-02 ppm1 2.611 ppm2 7.319 CV 1 ASSI { 976} (( segid " " and resid 2344 and name HG2 )) (( segid " " and resid 2344 and name HB3 )) 2.300 0.700 0.700 peak 976 spectrum 1 weight 0.10000E+01 volume 0.79229E-02 ppm1 2.612 ppm2 2.150 CV 1 ASSI { 977} (( segid " " and resid 2344 and name HG2 )) (( segid " " and resid 2344 and name HB2 )) 2.600 0.800 0.800 peak 977 spectrum 1 weight 0.10000E+01 volume 0.80046E-02 ppm1 2.612 ppm2 2.316 CV 1 ASSI { 978} (( segid " " and resid 2344 and name HG2 )) (( segid " " and resid 2344 and name HG3 )) 1.500 0.300 0.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.32333E-01 ppm1 2.612 ppm2 2.429 CV 1 ASSI { 983} (( segid " " and resid 2416 and name HG3 )) (( segid " " and resid 2416 and name HE22)) 3.100 1.200 1.200 peak 983 spectrum 1 weight 0.10000E+01 volume 0.52003E-02 ppm1 2.434 ppm2 6.773 CV 1 ASSI { 984} (( segid " " and resid 2344 and name HG3 )) (( segid " " and resid 2344 and name HE21)) 3.000 1.100 1.100 peak 984 spectrum 1 weight 0.10000E+01 volume 0.29366E-02 ppm1 2.433 ppm2 7.320 CV 1 ASSI { 985} (( segid " " and resid 2344 and name HG3 )) (( segid " " and resid 2344 and name H )) 2.200 0.600 0.600 peak 985 spectrum 1 weight 0.10000E+01 volume 0.60058E-02 ppm1 2.428 ppm2 8.212 CV 1 ASSI { 986} (( segid " " and resid 2345 and name HA )) (( segid " " and resid 2349 and name H )) 3.200 1.300 1.300 peak 986 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 3.685 ppm2 8.870 CV 1 ASSI { 987} (( segid " " and resid 2345 and name HA )) (( segid " " and resid 2345 and name H )) 2.300 0.700 0.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.55674E-02 ppm1 3.684 ppm2 8.304 CV 1 ASSI { 988} (( segid " " and resid 2345 and name HA )) (( segid " " and resid 2344 and name H )) 3.700 1.700 1.700 peak 988 spectrum 1 weight 0.10000E+01 volume 0.13459E-02 ppm1 3.690 ppm2 8.218 CV 1 ASSI { 990} (( segid " " and resid 2345 and name HA )) (( segid " " and resid 2470 and name HA )) 4.200 2.200 1.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 3.685 ppm2 4.083 CV 1 ASSI { 997} (( segid " " and resid 2345 and name HA )) (( segid " " and resid 2345 and name HB )) 2.500 0.800 0.800 peak 997 spectrum 1 weight 0.10000E+01 volume 0.45171E-02 ppm1 3.684 ppm2 1.938 CV 1 ASSI { 998} (( segid " " and resid 2345 and name HA )) (( segid " " and resid 2470 and name HG )) 4.300 2.300 1.700 peak 998 spectrum 1 weight 0.10000E+01 volume 0.78512E-03 ppm1 3.685 ppm2 1.770 CV 1 OR { 998} (( segid " " and resid 2345 and name HA )) (( segid " " and resid 2470 and name HB2 )) ASSI { 1005} (( segid " " and resid 2345 and name HB )) (( segid " " and resid 2346 and name H )) 2.500 0.800 0.800 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.42622E-02 ppm1 1.936 ppm2 8.089 CV 1 ASSI { 1006} (( segid " " and resid 2345 and name HB )) (( segid " " and resid 2345 and name H )) 2.400 0.700 0.700 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.58834E-02 ppm1 1.936 ppm2 8.304 CV 1 ASSI { 1007} (( segid " " and resid 2345 and name HG12)) (( segid " " and resid 2345 and name H )) 2.400 0.700 0.700 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.31813E-02 ppm1 1.000 ppm2 8.302 CV 1 ASSI { 1009} (( segid " " and resid 2345 and name HG12)) (( segid " " and resid 2345 and name HB )) 2.600 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.34974E-02 ppm1 1.000 ppm2 1.933 CV 1 ASSI { 1010} (( segid " " and resid 2345 and name HG12)) ( segid " " and resid 2473 and name HB% ) 3.700 1.700 1.700 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.87688E-03 ppm1 1.001 ppm2 1.570 CV 1 ASSI { 1013} (( segid " " and resid 2345 and name HG13)) (( segid " " and resid 2345 and name HB )) 2.600 0.800 0.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.35178E-02 ppm1 1.289 ppm2 1.937 CV 1 ASSI { 1016} (( segid " " and resid 2345 and name HG13)) (( segid " " and resid 2344 and name H )) 4.600 2.700 1.400 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 1.293 ppm2 8.213 CV 1 ASSI { 1017} (( segid " " and resid 2345 and name HG13)) (( segid " " and resid 2346 and name H )) 4.400 2.400 1.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.11318E-02 ppm1 1.287 ppm2 8.089 CV 1 ASSI { 1018} (( segid " " and resid 2345 and name HG13)) ( segid " " and resid 2341 and name HE% ) 4.400 2.400 1.600 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.21413E-03 ppm1 1.301 ppm2 7.334 CV 1 OR { 1018} (( segid " " and resid 2345 and name HG13)) ( segid " " and resid 2341 and name HD% ) ASSI { 1021} ( segid " " and resid 2345 and name HG2%) ( segid " " and resid 2470 and name HD1%) 2.800 1.000 1.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 0.830 ppm2 1.061 CV 1 ASSI { 1024} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2345 and name HG13)) 2.600 0.800 0.800 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.33241E-02 ppm1 0.829 ppm2 1.294 CV 1 ASSI { 1025} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2345 and name HB )) 2.200 0.600 0.600 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.85444E-02 ppm1 0.830 ppm2 1.936 CV 1 ASSI { 1026} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2470 and name HG )) 3.000 1.200 1.200 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.22738E-02 ppm1 0.831 ppm2 1.778 CV 1 ASSI { 1027} ( segid " " and resid 2345 and name HG2%) ( segid " " and resid 2414 and name HB% ) 3.000 1.100 1.100 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.18048E-02 ppm1 0.830 ppm2 1.666 CV 1 ASSI { 1028} ( segid " " and resid 2345 and name HG2%) ( segid " " and resid 2349 and name HB% ) 3.400 1.500 1.500 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.86670E-03 ppm1 0.830 ppm2 1.487 CV 1 ASSI { 1029} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2470 and name HB3 )) 4.700 2.700 1.300 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.92792E-03 ppm1 0.827 ppm2 2.163 CV 1 ASSI { 1030} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2411 and name HA )) 2.500 0.800 0.800 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.43947E-02 ppm1 0.830 ppm2 4.016 CV 1 ASSI { 1031} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2345 and name HA )) 2.500 0.800 0.800 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.57917E-02 ppm1 0.830 ppm2 3.680 CV 1 ASSI { 1032} ( segid " " and resid 2345 and name HG2%) ( segid " " and resid 2341 and name HE% ) 5.000 3.100 1.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.45885E-03 ppm1 0.829 ppm2 7.322 CV 1 ASSI { 1033} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2413 and name H )) 4.400 2.500 1.600 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.40786E-03 ppm1 0.829 ppm2 7.932 CV 1 ASSI { 1035} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2345 and name H )) 3.600 1.600 1.600 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.24675E-02 ppm1 0.829 ppm2 8.306 CV 1 ASSI { 1037} (( segid " " and resid 2346 and name HA )) (( segid " " and resid 2349 and name H )) 2.800 1.000 1.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.31813E-02 ppm1 4.021 ppm2 8.875 CV 1 ASSI { 1038} (( segid " " and resid 2346 and name HA )) (( segid " " and resid 2346 and name H )) 2.300 0.700 0.700 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.83207E-02 ppm1 4.020 ppm2 8.089 CV 1 ASSI { 1039} (( segid " " and resid 2456 and name HA )) ( segid " " and resid 2362 and name HB% ) 2.400 0.700 0.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.74024E-02 ppm1 4.033 ppm2 1.628 CV 1 ASSI { 1043} (( segid " " and resid 2346 and name HB3 )) (( segid " " and resid 2346 and name HB2 )) 2.000 0.500 0.500 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.68418E-02 ppm1 1.913 ppm2 1.778 CV 1 OR { 1043} (( segid " " and resid 2346 and name HB3 )) (( segid " " and resid 2346 and name HG )) ASSI { 1046} (( segid " " and resid 2346 and name HB3 )) (( segid " " and resid 2346 and name H )) 2.500 0.800 0.800 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.40480E-02 ppm1 1.910 ppm2 8.088 CV 1 ASSI { 1048} (( segid " " and resid 2346 and name HB2 )) (( segid " " and resid 2347 and name H )) 3.500 1.500 1.500 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.28142E-02 ppm1 1.784 ppm2 8.406 CV 1 ASSI { 1049} (( segid " " and resid 2470 and name HB2 )) (( segid " " and resid 2471 and name H )) 3.300 1.400 1.400 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.21209E-02 ppm1 1.785 ppm2 8.238 CV 1 ASSI { 1051} (( segid " " and resid 2470 and name HB2 )) (( segid " " and resid 2470 and name HB3 )) 1.900 0.500 0.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.74024E-02 ppm1 1.786 ppm2 2.162 CV 1 ASSI { 1052} (( segid " " and resid 2346 and name HB2 )) (( segid " " and resid 2346 and name HB3 )) 1.800 0.400 0.400 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.10074E-01 ppm1 1.784 ppm2 1.912 CV 1 ASSI { 1054} (( segid " " and resid 2346 and name HG )) (( segid " " and resid 2346 and name H )) 3.300 1.300 1.300 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.42418E-02 ppm1 1.762 ppm2 8.095 CV 1 ASSI { 1055} ( segid " " and resid 2359 and name HD1%) (( segid " " and resid 2359 and name HA )) 2.500 0.800 0.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.61179E-02 ppm1 1.008 ppm2 4.019 CV 1 ASSI { 1057} ( segid " " and resid 2346 and name HD2%) (( segid " " and resid 2346 and name HB3 )) 2.600 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.40888E-02 ppm1 1.006 ppm2 1.926 CV 1 ASSI { 1059} (( segid " " and resid 2422 and name HB3 )) (( segid " " and resid 2422 and name H )) 2.800 1.000 1.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.65156E-02 ppm1 2.153 ppm2 8.764 CV 1 ASSI { 1064} (( segid " " and resid 2347 and name HG2 )) ( segid " " and resid 2348 and name HB% ) 4.300 2.300 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.79537E-03 ppm1 2.453 ppm2 1.612 CV 1 OR { 1064} (( segid " " and resid 2347 and name HG3 )) ( segid " " and resid 2348 and name HB% ) ASSI { 1065} (( segid " " and resid 2347 and name HG3 )) (( segid " " and resid 2347 and name HB2 )) 2.000 0.500 0.500 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.18058E-01 ppm1 2.453 ppm2 2.169 CV 1 OR { 1065} (( segid " " and resid 2347 and name HG2 )) (( segid " " and resid 2347 and name HB3 )) OR { 1065} (( segid " " and resid 2347 and name HG3 )) (( segid " " and resid 2347 and name HB3 )) OR { 1065} (( segid " " and resid 2347 and name HG2 )) (( segid " " and resid 2347 and name HB2 )) ASSI { 1066} (( segid " " and resid 2347 and name HG2 )) (( segid " " and resid 2344 and name HA )) 2.100 0.600 0.600 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.10900E-01 ppm1 2.451 ppm2 4.085 CV 1 OR { 1066} (( segid " " and resid 2347 and name HG3 )) (( segid " " and resid 2344 and name HA )) ASSI { 1067} (( segid " " and resid 2347 and name HG2 )) (( segid " " and resid 2348 and name HA )) 4.000 2.000 2.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.15397E-02 ppm1 2.452 ppm2 4.370 CV 1 OR { 1067} (( segid " " and resid 2347 and name HG3 )) (( segid " " and resid 2348 and name HA )) ASSI { 1068} (( segid " " and resid 2347 and name HG2 )) (( segid " " and resid 2347 and name H )) 1.700 0.400 0.500 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.20250E-01 ppm1 2.452 ppm2 8.404 CV 1 ASSI { 1069} (( segid " " and resid 2347 and name HG2 )) (( segid " " and resid 2348 and name H )) 2.900 1.100 1.100 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 2.451 ppm2 8.114 CV 1 OR { 1069} (( segid " " and resid 2347 and name HG3 )) (( segid " " and resid 2348 and name H )) ASSI { 1070} (( segid " " and resid 2348 and name HA )) (( segid " " and resid 2349 and name H )) 2.700 0.900 0.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.43336E-02 ppm1 4.367 ppm2 8.883 CV 1 ASSI { 1072} (( segid " " and resid 2348 and name HA )) (( segid " " and resid 2351 and name HB2 )) 2.000 0.500 0.500 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.17110E-01 ppm1 4.362 ppm2 4.257 CV 1 ASSI { 1073} (( segid " " and resid 2348 and name HA )) (( segid " " and resid 2347 and name HB2 )) 2.800 1.000 1.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.32323E-02 ppm1 4.364 ppm2 2.166 CV 1 ASSI { 1075} (( segid " " and resid 2441 and name HA )) ( segid " " and resid 2440 and name HG2%) 3.500 1.500 1.500 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.21005E-02 ppm1 4.353 ppm2 1.075 CV 1 ASSI { 1077} ( segid " " and resid 2348 and name HB% ) (( segid " " and resid 2349 and name H )) 2.600 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.49759E-02 ppm1 1.611 ppm2 8.876 CV 1 ASSI { 1078} ( segid " " and resid 2305 and name HB% ) ( segid " " and resid 2393 and name HD2%) 3.500 1.500 1.500 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.93810E-03 ppm1 1.465 ppm2 0.655 CV 1 ASSI { 1083} ( segid " " and resid 2349 and name HB% ) (( segid " " and resid 2407 and name HG )) 3.300 1.400 1.400 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.10197E-02 ppm1 1.474 ppm2 1.790 CV 1 ASSI { 1084} ( segid " " and resid 2452 and name HB% ) (( segid " " and resid 2452 and name H )) 2.600 0.800 0.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.51798E-02 ppm1 1.470 ppm2 8.921 CV 1 ASSI { 1085} ( segid " " and resid 2349 and name HB% ) (( segid " " and resid 2349 and name H )) 2.300 0.700 0.700 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.84125E-02 ppm1 1.480 ppm2 8.874 CV 1 ASSI { 1087} ( segid " " and resid 2305 and name HB% ) (( segid " " and resid 2306 and name H )) 2.700 0.900 0.900 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.40277E-02 ppm1 1.466 ppm2 8.177 CV 1 ASSI { 1089} ( segid " " and resid 2452 and name HB% ) (( segid " " and resid 2453 and name H )) 2.900 1.000 1.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.29672E-02 ppm1 1.470 ppm2 7.892 CV 1 ASSI { 1090} (( segid " " and resid 2350 and name HA )) (( segid " " and resid 2350 and name H )) 2.400 0.700 0.700 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.76677E-02 ppm1 3.905 ppm2 8.542 CV 1 ASSI { 1091} (( segid " " and resid 2350 and name HA )) (( segid " " and resid 2353 and name H )) 2.900 1.000 1.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.28754E-02 ppm1 3.906 ppm2 8.339 CV 1 ASSI { 1092} (( segid " " and resid 2350 and name HA )) (( segid " " and resid 2354 and name H )) 3.000 1.100 1.100 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.25389E-02 ppm1 3.904 ppm2 8.170 CV 1 ASSI { 1093} (( segid " " and resid 2350 and name HA )) (( segid " " and resid 2350 and name HE3 )) 4.400 2.400 1.600 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.65258E-03 ppm1 3.901 ppm2 2.879 CV 1 OR { 1093} (( segid " " and resid 2350 and name HA )) (( segid " " and resid 2350 and name HE2 )) ASSI { 1094} (( segid " " and resid 2350 and name HA )) (( segid " " and resid 2350 and name HB2 )) 2.700 0.900 0.900 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.39665E-02 ppm1 3.905 ppm2 2.015 CV 1 OR { 1094} (( segid " " and resid 2350 and name HA )) (( segid " " and resid 2350 and name HB3 )) ASSI { 1095} (( segid " " and resid 2350 and name HA )) (( segid " " and resid 2350 and name HG2 )) 2.900 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.27939E-02 ppm1 3.905 ppm2 1.559 CV 1 OR { 1095} (( segid " " and resid 2350 and name HA )) (( segid " " and resid 2350 and name HG3 )) ASSI { 1098} (( segid " " and resid 2350 and name HG3 )) (( segid " " and resid 2350 and name H )) 3.300 1.300 1.300 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.11216E-02 ppm1 1.553 ppm2 8.544 CV 1 OR { 1098} (( segid " " and resid 2350 and name HG2 )) (( segid " " and resid 2350 and name H )) ASSI { 1101} (( segid " " and resid 2350 and name HG3 )) (( segid " " and resid 2350 and name HD2 )) 2.800 1.000 1.000 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.27837E-02 ppm1 1.553 ppm2 1.783 CV 1 OR { 1101} (( segid " " and resid 2350 and name HG2 )) (( segid " " and resid 2350 and name HD3 )) OR { 1101} (( segid " " and resid 2350 and name HG2 )) (( segid " " and resid 2350 and name HD2 )) OR { 1101} (( segid " " and resid 2350 and name HG3 )) (( segid " " and resid 2350 and name HD3 )) ASSI { 1102} (( segid " " and resid 2350 and name HD2 )) ( segid " " and resid 2346 and name HD1%) 3.700 1.700 1.700 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.96871E-03 ppm1 1.761 ppm2 1.029 CV 1 ASSI { 1105} (( segid " " and resid 2350 and name HE2 )) (( segid " " and resid 2350 and name HD3 )) 2.600 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.47516E-02 ppm1 2.880 ppm2 1.763 CV 1 OR { 1105} (( segid " " and resid 2350 and name HE3 )) (( segid " " and resid 2350 and name HD2 )) OR { 1105} (( segid " " and resid 2350 and name HE2 )) (( segid " " and resid 2350 and name HD2 )) OR { 1105} (( segid " " and resid 2350 and name HE3 )) (( segid " " and resid 2350 and name HD3 )) ASSI { 1106} (( segid " " and resid 2350 and name HE2 )) (( segid " " and resid 2350 and name HG2 )) 3.000 1.200 1.200 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.20291E-02 ppm1 2.879 ppm2 1.554 CV 1 OR { 1106} (( segid " " and resid 2350 and name HE3 )) (( segid " " and resid 2350 and name HG2 )) OR { 1106} (( segid " " and resid 2350 and name HE3 )) (( segid " " and resid 2350 and name HG3 )) OR { 1106} (( segid " " and resid 2350 and name HE2 )) (( segid " " and resid 2350 and name HG3 )) ASSI { 1107} (( segid " " and resid 2350 and name HE2 )) (( segid " " and resid 2350 and name HB2 )) 3.700 1.700 1.700 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.12338E-02 ppm1 2.880 ppm2 2.052 CV 1 OR { 1107} (( segid " " and resid 2350 and name HE3 )) (( segid " " and resid 2350 and name HB3 )) OR { 1107} (( segid " " and resid 2350 and name HE3 )) (( segid " " and resid 2350 and name HB2 )) OR { 1107} (( segid " " and resid 2350 and name HE2 )) (( segid " " and resid 2350 and name HB3 )) ASSI { 1109} (( segid " " and resid 2350 and name HE3 )) (( segid " " and resid 2347 and name HA )) 3.000 1.100 1.100 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.32017E-02 ppm1 2.880 ppm2 4.097 CV 1 OR { 1109} (( segid " " and resid 2350 and name HE2 )) (( segid " " and resid 2347 and name HA )) ASSI { 1110} (( segid " " and resid 2350 and name HE3 )) (( segid " " and resid 2350 and name H )) 3.700 1.700 1.700 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.76476E-03 ppm1 2.880 ppm2 8.540 CV 1 ASSI { 1111} (( segid " " and resid 2352 and name HA )) (( segid " " and resid 2352 and name H )) 2.600 0.800 0.800 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.44865E-02 ppm1 3.710 ppm2 8.472 CV 1 ASSI { 1113} (( segid " " and resid 2352 and name HA )) (( segid " " and resid 2355 and name H )) 2.900 1.000 1.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.28653E-02 ppm1 3.710 ppm2 8.095 CV 1 ASSI { 1119} (( segid " " and resid 2352 and name HB )) ( segid " " and resid 2352 and name HD1%) 3.300 1.300 1.300 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.10808E-02 ppm1 2.120 ppm2 0.980 CV 1 OR { 1119} (( segid " " and resid 2352 and name HB )) (( segid " " and resid 2352 and name HG12)) ASSI { 1120} (( segid " " and resid 2352 and name HB )) ( segid " " and resid 2466 and name HB% ) 5.000 3.100 1.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.44865E-03 ppm1 2.119 ppm2 1.569 CV 1 ASSI { 1121} (( segid " " and resid 2352 and name HB )) ( segid " " and resid 2349 and name HB% ) 4.300 2.300 1.700 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.46904E-03 ppm1 2.122 ppm2 1.483 CV 1 ASSI { 1123} (( segid " " and resid 2352 and name HB )) (( segid " " and resid 2349 and name HA )) 2.600 0.800 0.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.45579E-02 ppm1 2.119 ppm2 4.070 CV 1 ASSI { 1124} (( segid " " and resid 2352 and name HB )) (( segid " " and resid 2352 and name HA )) 2.900 1.100 1.100 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.23962E-02 ppm1 2.116 ppm2 3.709 CV 1 ASSI { 1125} (( segid " " and resid 2352 and name HB )) (( segid " " and resid 2352 and name H )) 2.500 0.800 0.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.44763E-02 ppm1 2.121 ppm2 8.472 CV 1 ASSI { 1126} (( segid " " and resid 2352 and name HB )) (( segid " " and resid 2353 and name H )) 2.500 0.800 0.800 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.42418E-02 ppm1 2.119 ppm2 8.341 CV 1 ASSI { 1127} (( segid " " and resid 2352 and name HG12)) (( segid " " and resid 2352 and name H )) 3.800 1.800 1.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.18966E-02 ppm1 0.974 ppm2 8.477 CV 1 ASSI { 1128} (( segid " " and resid 2352 and name HG12)) (( segid " " and resid 2467 and name H )) 3.400 1.500 1.500 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.84634E-03 ppm1 0.975 ppm2 8.901 CV 1 ASSI { 1129} (( segid " " and resid 2352 and name HG12)) (( segid " " and resid 2349 and name HA )) 4.400 2.400 1.600 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.67300E-03 ppm1 0.972 ppm2 4.052 CV 1 ASSI { 1130} (( segid " " and resid 2352 and name HG12)) (( segid " " and resid 2352 and name HA )) 2.700 0.900 0.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.33241E-02 ppm1 0.977 ppm2 3.710 CV 1 ASSI { 1131} (( segid " " and resid 2352 and name HG12)) (( segid " " and resid 2352 and name HG13)) 1.800 0.400 0.400 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.86161E-02 ppm1 0.976 ppm2 2.077 CV 1 ASSI { 1132} (( segid " " and resid 2352 and name HG12)) (( segid " " and resid 2407 and name HG )) 4.100 2.100 1.900 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.10502E-02 ppm1 0.962 ppm2 1.789 CV 1 ASSI { 1134} (( segid " " and resid 2352 and name HG12)) ( segid " " and resid 2356 and name HG2%) 5.700 4.100 0.300 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.14275E-03 ppm1 0.971 ppm2 1.295 CV 1 ASSI { 1135} (( segid " " and resid 2352 and name HG12)) ( segid " " and resid 2352 and name HG2%) 2.700 0.900 0.900 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.21617E-02 ppm1 0.971 ppm2 1.051 CV 1 ASSI { 1137} (( segid " " and resid 2352 and name HG13)) (( segid " " and resid 2352 and name HA )) 2.700 0.900 0.900 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 2.078 ppm2 3.706 CV 1 ASSI { 1139} (( segid " " and resid 2352 and name HG13)) (( segid " " and resid 2352 and name H )) 2.600 0.800 0.800 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.24064E-02 ppm1 2.077 ppm2 8.469 CV 1 ASSI { 1140} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2356 and name H )) 4.200 2.200 1.800 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.46904E-03 ppm1 1.039 ppm2 9.262 CV 1 ASSI { 1141} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2352 and name H )) 3.800 1.800 1.800 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.16621E-02 ppm1 1.044 ppm2 8.477 CV 1 ASSI { 1142} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2353 and name H )) 3.200 1.300 1.300 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.19680E-02 ppm1 1.045 ppm2 8.338 CV 1 ASSI { 1143} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2354 and name H )) 3.800 1.800 1.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.88713E-03 ppm1 1.042 ppm2 8.136 CV 1 ASSI { 1144} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2353 and name HA )) 3.100 1.200 1.200 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 1.044 ppm2 4.129 CV 1 ASSI { 1145} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2349 and name HA )) 3.500 1.500 1.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.22534E-02 ppm1 1.043 ppm2 4.062 CV 1 ASSI { 1146} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2352 and name HA )) 2.600 0.800 0.800 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.41398E-02 ppm1 1.044 ppm2 3.705 CV 1 ASSI { 1147} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2431 and name HB )) 3.800 1.800 1.800 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 1.043 ppm2 2.384 CV 1 ASSI { 1148} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2352 and name HB )) 2.300 0.700 0.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.54960E-02 ppm1 1.044 ppm2 2.116 CV 1 ASSI { 1149} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2407 and name HG )) 3.800 1.800 1.800 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.10706E-02 ppm1 1.043 ppm2 1.809 CV 1 ASSI { 1150} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2407 and name HB2 )) 4.100 2.100 1.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.83609E-03 ppm1 1.047 ppm2 1.689 CV 1 ASSI { 1151} ( segid " " and resid 2352 and name HG2%) ( segid " " and resid 2355 and name HB% ) 4.200 2.200 1.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.59140E-03 ppm1 1.044 ppm2 1.599 CV 1 ASSI { 1152} ( segid " " and resid 2352 and name HG2%) ( segid " " and resid 2404 and name HG2%) 4.600 2.700 1.400 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.26511E-03 ppm1 1.042 ppm2 1.384 CV 1 ASSI { 1154} ( segid " " and resid 2352 and name HD1%) ( segid " " and resid 2356 and name HG2%) 5.500 3.800 0.500 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.32629E-03 ppm1 0.974 ppm2 1.290 CV 1 ASSI { 1158} ( segid " " and resid 2352 and name HD1%) ( segid " " and resid 2428 and name HB% ) 3.800 1.800 1.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.82591E-03 ppm1 0.973 ppm2 1.667 CV 1 ASSI { 1159} ( segid " " and resid 2352 and name HD1%) ( segid " " and resid 2349 and name HB% ) 4.800 2.900 1.200 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.32629E-03 ppm1 0.978 ppm2 1.479 CV 1 ASSI { 1160} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2352 and name HG13)) 2.200 0.600 0.600 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.85960E-02 ppm1 0.974 ppm2 2.085 CV 1 ASSI { 1161} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2352 and name HA )) 3.600 1.600 1.600 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.26817E-02 ppm1 0.974 ppm2 3.708 CV 1 ASSI { 1162} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2349 and name HA )) 2.500 0.800 0.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.54246E-02 ppm1 0.974 ppm2 4.060 CV 1 ASSI { 1164} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2352 and name H )) 3.300 1.400 1.400 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.17640E-02 ppm1 0.972 ppm2 8.472 CV 1 ASSI { 1166} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2351 and name H )) 3.000 3.000 3.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.91767E-03 ppm1 0.977 ppm2 8.221 CV 1 ASSI { 1167} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2470 and name H )) 3.500 1.500 1.500 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.16008E-02 ppm1 0.974 ppm2 8.091 CV 1 ASSI { 1169} (( segid " " and resid 2436 and name HA )) (( segid " " and resid 2460 and name HA2 )) 2.800 1.000 1.000 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.50167E-02 ppm1 4.140 ppm2 3.683 CV 1 ASSI { 1170} (( segid " " and resid 2366 and name HA )) (( segid " " and resid 2369 and name HB3 )) 2.800 1.000 1.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.36912E-02 ppm1 4.147 ppm2 2.244 CV 1 OR { 1170} (( segid " " and resid 2366 and name HA )) (( segid " " and resid 2369 and name HB2 )) ASSI { 1172} (( segid " " and resid 2353 and name HA )) ( segid " " and resid 2356 and name HG2%) 2.900 1.100 1.100 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.32221E-02 ppm1 4.139 ppm2 1.306 CV 1 ASSI { 1176} ( segid " " and resid 2353 and name HB% ) ( segid " " and resid 2323 and name HD2%) 3.500 1.500 1.500 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.85652E-03 ppm1 1.395 ppm2 0.960 CV 1 ASSI { 1177} ( segid " " and resid 2353 and name HB% ) ( segid " " and resid 2320 and name HB% ) 2.800 0.900 0.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.29978E-02 ppm1 1.396 ppm2 1.576 CV 1 ASSI { 1178} ( segid " " and resid 2353 and name HB% ) (( segid " " and resid 2352 and name HA )) 3.900 1.900 1.900 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 1.397 ppm2 3.695 CV 1 ASSI { 1179} ( segid " " and resid 2353 and name HB% ) (( segid " " and resid 2350 and name HA )) 2.700 0.900 0.900 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.34158E-02 ppm1 1.396 ppm2 3.905 CV 1 ASSI { 1180} ( segid " " and resid 2353 and name HB% ) (( segid " " and resid 2353 and name HA )) 2.300 0.700 0.700 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.84935E-02 ppm1 1.397 ppm2 4.140 CV 1 ASSI { 1181} ( segid " " and resid 2353 and name HB% ) (( segid " " and resid 2320 and name H )) 3.500 1.500 1.500 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.14581E-02 ppm1 1.395 ppm2 8.546 CV 1 ASSI { 1182} ( segid " " and resid 2353 and name HB% ) (( segid " " and resid 2353 and name H )) 2.300 0.700 0.700 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.86569E-02 ppm1 1.397 ppm2 8.342 CV 1 ASSI { 1183} ( segid " " and resid 2353 and name HB% ) (( segid " " and resid 2354 and name H )) 2.600 0.800 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.49352E-02 ppm1 1.397 ppm2 8.138 CV 1 ASSI { 1184} ( segid " " and resid 2353 and name HB% ) (( segid " " and resid 2356 and name H )) 4.200 2.200 1.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.68318E-03 ppm1 1.400 ppm2 9.276 CV 1 ASSI { 1186} ( segid " " and resid 2363 and name HB% ) ( segid " " and resid 2393 and name HD2%) 3.900 1.900 1.900 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.53022E-03 ppm1 1.611 ppm2 0.658 CV 1 ASSI { 1188} (( segid " " and resid 2459 and name HA )) (( segid " " and resid 2459 and name H )) 2.300 0.700 0.700 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.10431E-01 ppm1 4.402 ppm2 8.187 CV 1 ASSI { 1189} (( segid " " and resid 2355 and name HA )) (( segid " " and resid 2355 and name H )) 2.300 0.600 0.600 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.10921E-01 ppm1 4.408 ppm2 8.092 CV 1 ASSI { 1190} (( segid " " and resid 2355 and name HA )) (( segid " " and resid 2358 and name H )) 2.700 0.900 0.900 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.45579E-02 ppm1 4.408 ppm2 7.638 CV 1 ASSI { 1194} (( segid " " and resid 2356 and name HA )) (( segid " " and resid 2356 and name H )) 2.700 0.900 0.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.32017E-02 ppm1 4.019 ppm2 9.258 CV 1 ASSI { 1195} (( segid " " and resid 2356 and name HA )) (( segid " " and resid 2359 and name H )) 2.800 1.000 1.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.30080E-02 ppm1 4.020 ppm2 8.380 CV 1 ASSI { 1196} (( segid " " and resid 2356 and name HA )) (( segid " " and resid 2356 and name HB )) 2.400 0.700 0.700 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.59650E-02 ppm1 4.020 ppm2 4.142 CV 1 ASSI { 1197} (( segid " " and resid 2356 and name HA )) (( segid " " and resid 2352 and name HA )) 3.600 1.600 1.600 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.15091E-02 ppm1 4.026 ppm2 3.678 CV 1 ASSI { 1198} (( segid " " and resid 2356 and name HA )) (( segid " " and resid 2359 and name HB2 )) 2.400 0.700 0.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.56489E-02 ppm1 4.018 ppm2 2.383 CV 1 ASSI { 1199} (( segid " " and resid 2356 and name HA )) (( segid " " and resid 2359 and name HB3 )) 2.800 1.000 1.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.28958E-02 ppm1 4.019 ppm2 1.656 CV 1 ASSI { 1200} (( segid " " and resid 2356 and name HA )) ( segid " " and resid 2400 and name HG2%) 3.700 1.800 1.800 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.81573E-03 ppm1 4.022 ppm2 0.933 CV 1 ASSI { 1204} (( segid " " and resid 2356 and name HB )) ( segid " " and resid 2316 and name HG2%) 3.700 1.700 1.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.48944E-03 ppm1 4.140 ppm2 1.117 CV 1 ASSI { 1206} (( segid " " and resid 2356 and name HB )) ( segid " " and resid 2355 and name HB% ) 4.600 2.600 1.400 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.48944E-03 ppm1 4.133 ppm2 1.602 CV 1 ASSI { 1208} (( segid " " and resid 2356 and name HB )) (( segid " " and resid 2356 and name H )) 3.100 1.200 1.200 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 4.144 ppm2 9.265 CV 1 ASSI { 1209} ( segid " " and resid 2356 and name HG2%) (( segid " " and resid 2356 and name H )) 2.800 0.900 0.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.28550E-02 ppm1 1.293 ppm2 9.261 CV 1 ASSI { 1211} ( segid " " and resid 2356 and name HG2%) (( segid " " and resid 2357 and name H )) 3.900 1.900 1.900 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 1.291 ppm2 8.150 CV 1 ASSI { 1213} ( segid " " and resid 2356 and name HG2%) (( segid " " and resid 2404 and name HB )) 3.300 1.300 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 1.291 ppm2 4.403 CV 1 ASSI { 1214} ( segid " " and resid 2356 and name HG2%) (( segid " " and resid 2356 and name HB )) 2.600 0.800 0.800 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.32119E-02 ppm1 1.293 ppm2 4.140 CV 1 ASSI { 1215} ( segid " " and resid 2356 and name HG2%) (( segid " " and resid 2356 and name HA )) 2.500 0.800 0.800 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.44457E-02 ppm1 1.293 ppm2 4.021 CV 1 ASSI { 1216} ( segid " " and resid 2356 and name HG2%) (( segid " " and resid 2352 and name HA )) 2.700 0.900 0.900 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.40480E-02 ppm1 1.293 ppm2 3.683 CV 1 ASSI { 1217} ( segid " " and resid 2356 and name HG2%) (( segid " " and resid 2359 and name HB2 )) 3.700 1.700 1.700 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.13154E-02 ppm1 1.294 ppm2 2.384 CV 1 ASSI { 1218} ( segid " " and resid 2356 and name HG2%) ( segid " " and resid 2355 and name HB% ) 4.000 2.000 2.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.58120E-03 ppm1 1.293 ppm2 1.615 CV 1 ASSI { 1219} ( segid " " and resid 2356 and name HG2%) ( segid " " and resid 2463 and name HG2%) 3.100 1.200 1.200 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.18048E-02 ppm1 1.293 ppm2 1.159 CV 1 ASSI { 1220} ( segid " " and resid 2356 and name HG2%) ( segid " " and resid 2352 and name HG2%) 2.800 1.000 1.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.18558E-02 ppm1 1.293 ppm2 1.036 CV 1 ASSI { 1221} ( segid " " and resid 2356 and name HG2%) ( segid " " and resid 2400 and name HG2%) 3.000 1.100 1.100 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.33751E-02 ppm1 1.293 ppm2 0.924 CV 1 ASSI { 1222} (( segid " " and resid 2452 and name HA )) ( segid " " and resid 2452 and name HB% ) 2.400 0.700 0.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.85752E-02 ppm1 4.151 ppm2 1.468 CV 1 ASSI { 1224} (( segid " " and resid 2413 and name HA )) ( segid " " and resid 2413 and name HB% ) 2.200 0.600 0.600 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.12940E-01 ppm1 4.162 ppm2 1.606 CV 1 ASSI { 1225} (( segid " " and resid 2413 and name HA )) (( segid " " and resid 2416 and name HB3 )) 4.000 2.000 2.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 4.159 ppm2 2.084 CV 1 ASSI { 1226} (( segid " " and resid 2358 and name HA )) (( segid " " and resid 2361 and name HB2 )) 2.500 0.800 0.800 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.60976E-02 ppm1 4.156 ppm2 1.974 CV 1 OR { 1226} (( segid " " and resid 2358 and name HA )) (( segid " " and resid 2361 and name HB3 )) ASSI { 1227} (( segid " " and resid 2413 and name HA )) (( segid " " and resid 2416 and name HB2 )) 2.700 0.900 0.900 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.25186E-02 ppm1 4.161 ppm2 2.425 CV 1 ASSI { 1228} (( segid " " and resid 2413 and name HA )) (( segid " " and resid 2416 and name HG2 )) 3.500 1.500 1.500 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 4.157 ppm2 2.632 CV 1 ASSI { 1229} (( segid " " and resid 2413 and name HA )) (( segid " " and resid 2418 and name HB3 )) 2.800 1.000 1.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.33241E-02 ppm1 4.163 ppm2 3.045 CV 1 ASSI { 1234} (( segid " " and resid 2452 and name HA )) (( segid " " and resid 2452 and name H )) 2.500 0.800 0.800 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.63219E-02 ppm1 4.150 ppm2 8.928 CV 1 ASSI { 1240} (( segid " " and resid 2424 and name HA )) (( segid " " and resid 2424 and name HG )) 2.700 0.900 0.900 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.49861E-02 ppm1 3.976 ppm2 1.906 CV 1 ASSI { 1241} (( segid " " and resid 2424 and name HA )) (( segid " " and resid 2424 and name HB3 )) 2.800 1.000 1.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.49147E-02 ppm1 3.975 ppm2 2.065 CV 1 ASSI { 1242} (( segid " " and resid 2359 and name HA )) (( segid " " and resid 2359 and name HB2 )) 2.600 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.32425E-02 ppm1 3.990 ppm2 2.382 CV 1 ASSI { 1243} (( segid " " and resid 2359 and name HA )) (( segid " " and resid 2359 and name H )) 2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.60058E-02 ppm1 3.984 ppm2 8.374 CV 1 ASSI { 1244} (( segid " " and resid 2424 and name HA )) (( segid " " and resid 2424 and name H )) 2.700 0.900 0.900 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.35077E-02 ppm1 3.976 ppm2 8.192 CV 1 ASSI { 1253} (( segid " " and resid 2359 and name HB3 )) (( segid " " and resid 2359 and name HB2 )) 2.200 0.600 0.600 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.38645E-02 ppm1 1.680 ppm2 2.386 CV 1 ASSI { 1254} (( segid " " and resid 2359 and name HB3 )) (( segid " " and resid 2400 and name HB )) 3.300 3.300 2.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.15907E-02 ppm1 1.658 ppm2 2.288 CV 1 ASSI { 1257} (( segid " " and resid 2359 and name HG )) (( segid " " and resid 2359 and name H )) 3.900 1.900 1.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.13357E-02 ppm1 1.648 ppm2 8.380 CV 1 ASSI { 1258} (( segid " " and resid 2359 and name HG )) (( segid " " and resid 2360 and name H )) 3.800 1.800 1.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.94828E-03 ppm1 1.637 ppm2 8.297 CV 1 ASSI { 1259} (( segid " " and resid 2359 and name HG )) (( segid " " and resid 2359 and name HA )) 3.300 1.400 1.400 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 1.647 ppm2 3.996 CV 1 ASSI { 1260} (( segid " " and resid 2359 and name HG )) (( segid " " and resid 2359 and name HB2 )) 2.900 1.000 1.000 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.24675E-02 ppm1 1.648 ppm2 2.384 CV 1 ASSI { 1263} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2359 and name H )) 4.100 2.100 1.900 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 1.151 ppm2 8.385 CV 1 ASSI { 1264} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2360 and name H )) 3.800 1.800 1.800 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.11318E-02 ppm1 1.149 ppm2 8.285 CV 1 ASSI { 1265} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2438 and name H )) 4.200 2.200 1.800 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 1.151 ppm2 8.004 CV 1 ASSI { 1266} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2435 and name H )) 4.200 2.300 1.800 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.65258E-03 ppm1 1.148 ppm2 8.156 CV 1 ASSI { 1267} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2435 and name HB )) 3.800 1.800 1.800 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.13051E-02 ppm1 1.147 ppm2 4.418 CV 1 ASSI { 1268} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2436 and name HA )) 4.500 2.500 1.500 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 1.146 ppm2 4.172 CV 1 ASSI { 1270} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2435 and name HA )) 3.000 1.200 1.200 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.26919E-02 ppm1 1.148 ppm2 3.802 CV 1 ASSI { 1271} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2460 and name HA2 )) 4.200 2.200 1.800 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.31610E-03 ppm1 1.145 ppm2 3.673 CV 1 ASSI { 1272} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2359 and name HB2 )) 2.900 1.000 1.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.29468E-02 ppm1 1.149 ppm2 2.386 CV 1 ASSI { 1273} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2438 and name HB2 )) 3.900 1.900 1.900 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.13154E-02 ppm1 1.146 ppm2 2.156 CV 1 ASSI { 1274} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2359 and name HG )) 2.800 0.900 0.900 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.27021E-02 ppm1 1.148 ppm2 1.648 CV 1 OR { 1274} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2359 and name HB3 )) ASSI { 1275} ( segid " " and resid 2359 and name HD2%) ( segid " " and resid 2359 and name HD1%) 2.800 1.000 1.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.31304E-02 ppm1 1.148 ppm2 1.033 CV 1 ASSI { 1277} (( segid " " and resid 2360 and name HA )) ( segid " " and resid 2363 and name HB% ) 2.600 0.800 0.800 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.45680E-02 ppm1 3.655 ppm2 1.591 CV 1 ASSI { 1278} (( segid " " and resid 2360 and name HA )) (( segid " " and resid 2360 and name HB )) 2.400 0.700 0.700 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.54755E-02 ppm1 3.657 ppm2 2.225 CV 1 ASSI { 1279} (( segid " " and resid 2360 and name HA )) (( segid " " and resid 2360 and name H )) 2.300 0.700 0.700 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.72805E-02 ppm1 3.657 ppm2 8.289 CV 1 ASSI { 1280} (( segid " " and resid 2360 and name HA )) (( segid " " and resid 2363 and name H )) 2.700 0.900 0.900 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.33547E-02 ppm1 3.656 ppm2 8.693 CV 1 ASSI { 1281} (( segid " " and resid 2360 and name HB )) (( segid " " and resid 2360 and name H )) 2.300 0.600 0.600 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.80046E-02 ppm1 2.222 ppm2 8.296 CV 1 ASSI { 1282} (( segid " " and resid 2453 and name HB3 )) (( segid " " and resid 2453 and name H )) 2.600 0.800 0.800 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.38033E-02 ppm1 2.198 ppm2 7.889 CV 1 OR { 1282} (( segid " " and resid 2453 and name HB2 )) (( segid " " and resid 2453 and name H )) ASSI { 1287} (( segid " " and resid 2453 and name HB3 )) ( segid " " and resid 2446 and name HB% ) 4.300 2.300 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.21413E-03 ppm1 2.216 ppm2 1.473 CV 1 OR { 1287} (( segid " " and resid 2453 and name HB2 )) ( segid " " and resid 2446 and name HB% ) ASSI { 1290} ( segid " " and resid 2360 and name HG2%) ( segid " " and resid 2397 and name HB% ) 3.200 1.300 1.300 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.15397E-02 ppm1 1.114 ppm2 1.490 CV 1 ASSI { 1291} ( segid " " and resid 2360 and name HG1%) (( segid " " and resid 2360 and name HB )) 2.600 0.800 0.800 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.43030E-02 ppm1 1.113 ppm2 2.227 CV 1 OR { 1291} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2360 and name HB )) ASSI { 1292} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2309 and name HB2 )) 4.700 2.800 1.300 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.38747E-03 ppm1 1.114 ppm2 2.062 CV 1 ASSI { 1293} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2360 and name HA )) 2.800 0.900 0.900 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.39461E-02 ppm1 1.112 ppm2 3.657 CV 1 OR { 1293} ( segid " " and resid 2360 and name HG1%) (( segid " " and resid 2360 and name HA )) ASSI { 1294} ( segid " " and resid 2360 and name HG1%) (( segid " " and resid 2360 and name H )) 2.300 0.700 0.700 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.74433E-02 ppm1 1.113 ppm2 8.288 CV 1 ASSI { 1295} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2313 and name H )) 3.500 1.600 1.600 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.13765E-02 ppm1 1.112 ppm2 8.152 CV 1 OR { 1295} ( segid " " and resid 2360 and name HG1%) (( segid " " and resid 2313 and name H )) ASSI { 1299} (( segid " " and resid 2361 and name HA )) ( segid " " and resid 2360 and name HG1%) 4.300 2.300 1.700 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.30590E-03 ppm1 4.076 ppm2 1.113 CV 1 OR { 1299} (( segid " " and resid 2361 and name HA )) ( segid " " and resid 2360 and name HG2%) ASSI { 1300} (( segid " " and resid 2361 and name HA )) (( segid " " and resid 2361 and name HG3 )) 2.700 0.900 0.900 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.55775E-02 ppm1 4.077 ppm2 1.420 CV 1 ASSI { 1301} (( segid " " and resid 2361 and name HA )) ( segid " " and resid 2313 and name HB% ) 3.800 1.800 1.800 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.99925E-03 ppm1 4.076 ppm2 1.647 CV 1 ASSI { 1302} (( segid " " and resid 2361 and name HA )) (( segid " " and resid 2364 and name H )) 2.800 1.000 1.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.28856E-02 ppm1 4.076 ppm2 8.244 CV 1 ASSI { 1303} (( segid " " and resid 2361 and name HA )) (( segid " " and resid 2362 and name H )) 3.100 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.22432E-02 ppm1 4.075 ppm2 8.453 CV 1 ASSI { 1304} (( segid " " and resid 2361 and name HB2 )) (( segid " " and resid 2362 and name H )) 2.900 1.100 1.100 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.20903E-02 ppm1 1.966 ppm2 8.455 CV 1 OR { 1304} (( segid " " and resid 2361 and name HB3 )) (( segid " " and resid 2362 and name H )) ASSI { 1308} (( segid " " and resid 2361 and name HG3 )) (( segid " " and resid 2361 and name HB3 )) 2.800 1.000 1.000 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.27327E-02 ppm1 1.419 ppm2 1.965 CV 1 OR { 1308} (( segid " " and resid 2361 and name HG3 )) (( segid " " and resid 2361 and name HB2 )) ASSI { 1309} (( segid " " and resid 2361 and name HG3 )) (( segid " " and resid 2361 and name HG2 )) 2.100 0.600 0.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.59242E-02 ppm1 1.419 ppm2 1.755 CV 1 OR { 1309} (( segid " " and resid 2361 and name HG3 )) (( segid " " and resid 2361 and name HD2 )) ASSI { 1312} (( segid " " and resid 2361 and name HG3 )) (( segid " " and resid 2361 and name H )) 2.800 0.900 0.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 1.420 ppm2 8.357 CV 1 ASSI { 1313} (( segid " " and resid 2361 and name HG2 )) (( segid " " and resid 2361 and name H )) 3.300 1.400 1.400 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.31099E-02 ppm1 1.755 ppm2 8.353 CV 1 ASSI { 1316} (( segid " " and resid 2361 and name HG2 )) (( segid " " and resid 2361 and name HB2 )) 2.600 0.900 0.900 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.41194E-02 ppm1 1.755 ppm2 1.968 CV 1 OR { 1316} (( segid " " and resid 2361 and name HG2 )) (( segid " " and resid 2361 and name HB3 )) ASSI { 1317} (( segid " " and resid 2361 and name HG2 )) (( segid " " and resid 2361 and name HG3 )) 1.800 0.400 0.400 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.13051E-01 ppm1 1.756 ppm2 1.421 CV 1 ASSI { 1318} (( segid " " and resid 2429 and name HD2 )) (( segid " " and resid 2429 and name HB2 )) 2.300 0.700 0.700 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.11104E-01 ppm1 1.754 ppm2 2.008 CV 1 OR { 1318} (( segid " " and resid 2429 and name HD3 )) (( segid " " and resid 2429 and name HB2 )) ASSI { 1319} (( segid " " and resid 2429 and name HE2 )) (( segid " " and resid 2429 and name H )) 4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 2.981 ppm2 8.476 CV 1 OR { 1319} (( segid " " and resid 2429 and name HE3 )) (( segid " " and resid 2429 and name H )) ASSI { 1322} (( segid " " and resid 2361 and name HE2 )) (( segid " " and resid 2361 and name HG3 )) 2.500 0.800 0.800 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.59344E-02 ppm1 2.972 ppm2 1.422 CV 1 OR { 1322} (( segid " " and resid 2361 and name HE3 )) (( segid " " and resid 2361 and name HG3 )) ASSI { 1323} (( segid " " and resid 2429 and name HE2 )) ( segid " " and resid 2425 and name HG2%) 2.900 1.000 1.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.27021E-02 ppm1 2.975 ppm2 1.038 CV 1 OR { 1323} (( segid " " and resid 2429 and name HE3 )) ( segid " " and resid 2425 and name HG2%) ASSI { 1325} ( segid " " and resid 2362 and name HB% ) (( segid " " and resid 2363 and name H )) 2.900 1.100 1.100 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.27531E-02 ppm1 1.625 ppm2 8.687 CV 1 ASSI { 1326} ( segid " " and resid 2358 and name HB% ) (( segid " " and resid 2359 and name H )) 3.400 1.400 1.400 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.13459E-02 ppm1 1.630 ppm2 8.383 CV 1 ASSI { 1329} ( segid " " and resid 2363 and name HB% ) ( segid " " and resid 2309 and name HD2%) 3.300 1.400 1.400 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 1.583 ppm2 0.845 CV 1 OR { 1329} ( segid " " and resid 2363 and name HB% ) ( segid " " and resid 2309 and name HD1%) ASSI { 1332} (( segid " " and resid 2364 and name HA )) (( segid " " and resid 2367 and name HB2 )) 2.700 0.900 0.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.30488E-02 ppm1 4.280 ppm2 2.495 CV 1 ASSI { 1334} (( segid " " and resid 2364 and name HA )) (( segid " " and resid 2364 and name H )) 2.600 0.800 0.800 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.51696E-02 ppm1 4.279 ppm2 8.238 CV 1 ASSI { 1337} (( segid " " and resid 2364 and name HB2 )) (( segid " " and resid 2364 and name H )) 2.400 0.700 0.700 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.74540E-02 ppm1 4.101 ppm2 8.238 CV 1 ASSI { 1338} (( segid " " and resid 2364 and name HB2 )) (( segid " " and resid 2365 and name H )) 3.400 1.400 1.400 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.27939E-02 ppm1 4.100 ppm2 7.876 CV 1 ASSI { 1339} (( segid " " and resid 2426 and name HB3 )) (( segid " " and resid 2427 and name H )) 2.400 0.700 0.700 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.10390E-01 ppm1 4.120 ppm2 8.152 CV 1 ASSI { 1341} (( segid " " and resid 2351 and name HB3 )) (( segid " " and resid 2351 and name HA )) 2.400 0.700 0.700 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.11226E-01 ppm1 4.082 ppm2 4.410 CV 1 ASSI { 1342} (( segid " " and resid 2426 and name HB2 )) (( segid " " and resid 2425 and name HB )) 4.100 2.100 1.900 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.72397E-03 ppm1 4.093 ppm2 2.007 CV 1 OR { 1342} (( segid " " and resid 2426 and name HB3 )) (( segid " " and resid 2425 and name HB )) ASSI { 1343} (( segid " " and resid 2364 and name HB2 )) (( segid " " and resid 2309 and name HG )) 3.300 1.300 1.300 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.24064E-02 ppm1 4.105 ppm2 1.765 CV 1 ASSI { 1345} (( segid " " and resid 2364 and name HB2 )) ( segid " " and resid 2309 and name HD1%) 3.000 1.100 1.100 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 4.107 ppm2 0.852 CV 1 ASSI { 1347} (( segid " " and resid 2364 and name HB3 )) ( segid " " and resid 2363 and name HB% ) 2.900 2.900 3.100 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 4.165 ppm2 1.591 CV 1 ASSI { 1349} (( segid " " and resid 2364 and name HB3 )) (( segid " " and resid 2309 and name HB2 )) 3.500 1.500 1.500 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.25389E-02 ppm1 4.165 ppm2 2.070 CV 1 ASSI { 1350} (( segid " " and resid 2364 and name HB2 )) (( segid " " and resid 2309 and name HB2 )) 3.400 1.500 1.500 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.66278E-03 ppm1 4.106 ppm2 2.058 CV 1 ASSI { 1351} (( segid " " and resid 2364 and name HB3 )) (( segid " " and resid 2364 and name HA )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.83716E-02 ppm1 4.168 ppm2 4.275 CV 1 ASSI { 1352} (( segid " " and resid 2364 and name HB3 )) (( segid " " and resid 2364 and name H )) 2.400 0.700 0.700 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.69644E-02 ppm1 4.168 ppm2 8.240 CV 1 ASSI { 1353} (( segid " " and resid 2364 and name HB3 )) (( segid " " and resid 2365 and name H )) 2.600 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.33955E-02 ppm1 4.171 ppm2 7.881 CV 1 ASSI { 1354} (( segid " " and resid 2365 and name HA )) (( segid " " and resid 2365 and name H )) 2.200 0.600 0.600 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.12124E-01 ppm1 4.280 ppm2 7.896 CV 1 ASSI { 1360} ( segid " " and resid 2410 and name HB% ) (( segid " " and resid 2409 and name HB2 )) 4.000 2.000 2.000 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.83609E-03 ppm1 1.572 ppm2 2.221 CV 1 ASSI { 1361} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2457 and name H )) 2.800 1.000 1.000 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.28142E-02 ppm1 4.169 ppm2 8.579 CV 1 ASSI { 1362} (( segid " " and resid 2367 and name HA )) (( segid " " and resid 2367 and name H )) 2.600 0.800 0.800 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.47822E-02 ppm1 4.180 ppm2 8.436 CV 1 ASSI { 1363} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2454 and name H )) 2.300 0.700 0.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.87487E-02 ppm1 4.172 ppm2 8.327 CV 1 ASSI { 1364} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2455 and name H )) 2.900 1.000 1.000 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.37626E-02 ppm1 4.170 ppm2 8.188 CV 1 ASSI { 1368} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2454 and name HD2 )) 2.700 0.900 0.900 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.33445E-02 ppm1 4.168 ppm2 1.737 CV 1 OR { 1368} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2454 and name HD3 )) ASSI { 1369} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2454 and name HG3 )) 3.100 1.200 1.200 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.38237E-02 ppm1 4.170 ppm2 1.535 CV 1 OR { 1369} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2454 and name HG2 )) ASSI { 1370} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2457 and name HB2 )) 2.700 0.900 0.900 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.34464E-02 ppm1 4.171 ppm2 2.239 CV 1 OR { 1370} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2457 and name HB3 )) ASSI { 1371} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2454 and name HB3 )) 2.200 0.600 0.600 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.10278E-01 ppm1 4.171 ppm2 2.082 CV 1 ASSI { 1373} (( segid " " and resid 2367 and name HA )) (( segid " " and resid 2367 and name HG2 )) 3.000 1.100 1.100 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.24472E-02 ppm1 4.176 ppm2 2.483 CV 1 OR { 1373} (( segid " " and resid 2367 and name HA )) (( segid " " and resid 2367 and name HB2 )) OR { 1373} (( segid " " and resid 2367 and name HA )) (( segid " " and resid 2367 and name HG3 )) ASSI { 1376} (( segid " " and resid 2367 and name HB2 )) (( segid " " and resid 2367 and name HA )) 3.200 1.300 1.300 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.19373E-02 ppm1 2.508 ppm2 4.175 CV 1 ASSI { 1381} (( segid " " and resid 2367 and name HB3 )) (( segid " " and resid 2368 and name H )) 3.700 1.700 1.700 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.96871E-03 ppm1 2.127 ppm2 8.088 CV 1 ASSI { 1382} (( segid " " and resid 2367 and name HB3 )) (( segid " " and resid 2367 and name HA )) 2.800 0.900 0.900 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.27327E-02 ppm1 2.148 ppm2 4.180 CV 1 ASSI { 1383} (( segid " " and resid 2367 and name HB3 )) (( segid " " and resid 2367 and name HB2 )) 2.000 0.500 0.500 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.67909E-02 ppm1 2.148 ppm2 2.497 CV 1 ASSI { 1384} (( segid " " and resid 2367 and name HG3 )) ( segid " " and resid 2366 and name HB% ) 3.700 1.800 1.800 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.77494E-03 ppm1 2.461 ppm2 1.564 CV 1 OR { 1384} (( segid " " and resid 2367 and name HG2 )) ( segid " " and resid 2366 and name HB% ) ASSI { 1386} (( segid " " and resid 2448 and name HG3 )) (( segid " " and resid 2448 and name HE22)) 3.600 1.600 1.600 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 2.461 ppm2 7.654 CV 1 OR { 1386} (( segid " " and resid 2448 and name HG2 )) (( segid " " and resid 2448 and name HE22)) ASSI { 1388} (( segid " " and resid 2368 and name HB2 )) (( segid " " and resid 2368 and name HG3 )) 2.400 0.700 0.700 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.56897E-02 ppm1 2.035 ppm2 1.803 CV 1 ASSI { 1391} (( segid " " and resid 2368 and name HG2 )) (( segid " " and resid 2368 and name H )) 3.500 1.500 1.500 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.36300E-02 ppm1 1.967 ppm2 8.082 CV 1 ASSI { 1393} (( segid " " and resid 2369 and name HA )) (( segid " " and resid 2369 and name HB2 )) 2.400 0.700 0.700 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.87587E-02 ppm1 4.246 ppm2 2.242 CV 1 OR { 1393} (( segid " " and resid 2369 and name HA )) (( segid " " and resid 2369 and name HB3 )) ASSI { 1394} (( segid " " and resid 2369 and name HA )) (( segid " " and resid 2369 and name H )) 2.400 0.700 0.700 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.87179E-02 ppm1 4.244 ppm2 7.981 CV 1 ASSI { 1395} (( segid " " and resid 2465 and name HA )) (( segid " " and resid 2465 and name H )) 2.200 0.600 0.600 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.12501E-01 ppm1 4.218 ppm2 8.122 CV 1 ASSI { 1396} (( segid " " and resid 2369 and name HG2 )) (( segid " " and resid 2369 and name H )) 2.700 0.900 0.900 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.38237E-02 ppm1 2.483 ppm2 7.981 CV 1 ASSI { 1398} (( segid " " and resid 2369 and name HG2 )) ( segid " " and resid 2372 and name HB% ) 4.000 2.000 2.000 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.85652E-03 ppm1 2.483 ppm2 1.656 CV 1 ASSI { 1399} (( segid " " and resid 2369 and name HG2 )) ( segid " " and resid 2452 and name HB% ) 3.700 1.700 1.700 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.11522E-02 ppm1 2.485 ppm2 1.472 CV 1 ASSI { 1401} (( segid " " and resid 2370 and name HA )) (( segid " " and resid 2370 and name HB3 )) 2.900 1.100 1.100 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.24675E-02 ppm1 4.136 ppm2 1.356 CV 1 OR { 1401} (( segid " " and resid 2370 and name HA )) (( segid " " and resid 2370 and name HB2 )) ASSI { 1402} (( segid " " and resid 2370 and name HA )) (( segid " " and resid 2370 and name HG )) 2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.52410E-02 ppm1 4.135 ppm2 1.976 CV 1 ASSI { 1403} (( segid " " and resid 2370 and name HA )) (( segid " " and resid 2370 and name H )) 2.500 0.800 0.800 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.63728E-02 ppm1 4.137 ppm2 8.031 CV 1 ASSI { 1405} (( segid " " and resid 2475 and name HA )) (( segid " " and resid 2475 and name H )) 2.200 0.600 0.600 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.11879E-01 ppm1 4.169 ppm2 8.114 CV 1 ASSI { 1409} (( segid " " and resid 2370 and name HB3 )) ( segid " " and resid 2370 and name HD2%) 4.000 4.000 2.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.40786E-03 ppm1 1.353 ppm2 0.833 CV 1 OR { 1409} (( segid " " and resid 2370 and name HB2 )) ( segid " " and resid 2370 and name HD1%) OR { 1409} (( segid " " and resid 2370 and name HB2 )) ( segid " " and resid 2370 and name HD2%) OR { 1409} (( segid " " and resid 2370 and name HB3 )) ( segid " " and resid 2370 and name HD1%) ASSI { 1411} ( segid " " and resid 2370 and name HD1%) (( segid " " and resid 2370 and name H )) 3.300 1.400 1.400 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.18966E-02 ppm1 0.837 ppm2 8.029 CV 1 ASSI { 1412} ( segid " " and resid 2370 and name HD1%) (( segid " " and resid 2446 and name H )) 3.900 1.900 1.900 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.79537E-03 ppm1 0.835 ppm2 7.816 CV 1 ASSI { 1413} ( segid " " and resid 2370 and name HD1%) (( segid " " and resid 2376 and name H )) 3.700 1.700 1.700 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.77494E-03 ppm1 0.840 ppm2 7.437 CV 1 ASSI { 1414} ( segid " " and resid 2370 and name HD1%) (( segid " " and resid 2446 and name HA )) 2.800 1.000 1.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.28856E-02 ppm1 0.836 ppm2 4.434 CV 1 ASSI { 1415} ( segid " " and resid 2370 and name HD1%) (( segid " " and resid 2370 and name HA )) 2.500 0.800 0.800 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.80655E-02 ppm1 0.837 ppm2 4.140 CV 1 ASSI { 1416} ( segid " " and resid 2370 and name HD1%) (( segid " " and resid 2370 and name HG )) 2.300 0.700 0.700 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.90548E-02 ppm1 0.838 ppm2 1.978 CV 1 ASSI { 1417} ( segid " " and resid 2370 and name HD1%) (( segid " " and resid 2370 and name HB2 )) 3.300 1.300 1.300 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 0.836 ppm2 1.347 CV 1 OR { 1417} ( segid " " and resid 2370 and name HD1%) (( segid " " and resid 2370 and name HB3 )) ASSI { 1419} ( segid " " and resid 2370 and name HD2%) (( segid " " and resid 2445 and name HB3 )) 3.900 1.900 1.900 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.36707E-03 ppm1 0.830 ppm2 1.140 CV 1 ASSI { 1421} ( segid " " and resid 2370 and name HD2%) ( segid " " and resid 2446 and name HB% ) 3.800 1.800 1.800 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.66278E-03 ppm1 0.829 ppm2 1.483 CV 1 ASSI { 1422} ( segid " " and resid 2370 and name HD2%) (( segid " " and resid 2370 and name HB3 )) 3.400 1.400 1.400 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 0.830 ppm2 1.350 CV 1 OR { 1422} ( segid " " and resid 2370 and name HD2%) (( segid " " and resid 2370 and name HB2 )) ASSI { 1423} ( segid " " and resid 2370 and name HD2%) (( segid " " and resid 2370 and name HG )) 2.700 0.900 0.900 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.31915E-02 ppm1 0.831 ppm2 1.977 CV 1 ASSI { 1424} ( segid " " and resid 2370 and name HD2%) (( segid " " and resid 2367 and name HA )) 3.000 1.100 1.100 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.24166E-02 ppm1 0.827 ppm2 4.167 CV 1 ASSI { 1427} ( segid " " and resid 2370 and name HD2%) (( segid " " and resid 2371 and name H )) 4.100 2.100 1.900 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.66278E-03 ppm1 0.828 ppm2 8.124 CV 1 ASSI { 1428} ( segid " " and resid 2370 and name HD2%) (( segid " " and resid 2370 and name H )) 3.500 1.600 1.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 0.828 ppm2 8.031 CV 1 ASSI { 1429} (( segid " " and resid 2371 and name HA )) (( segid " " and resid 2372 and name H )) 3.400 1.500 1.500 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.11828E-02 ppm1 4.039 ppm2 8.330 CV 1 ASSI { 1430} (( segid " " and resid 2371 and name HA )) (( segid " " and resid 2371 and name H )) 2.400 0.700 0.700 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.83716E-02 ppm1 4.037 ppm2 8.114 CV 1 ASSI { 1431} (( segid " " and resid 2371 and name HA )) (( segid " " and resid 2376 and name H )) 3.100 1.200 1.200 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 4.036 ppm2 7.428 CV 1 ASSI { 1432} (( segid " " and resid 2371 and name HA )) (( segid " " and resid 2371 and name HB )) 2.700 0.900 0.900 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.42723E-02 ppm1 4.036 ppm2 2.275 CV 1 ASSI { 1436} (( segid " " and resid 2371 and name HB )) (( segid " " and resid 2372 and name H )) 2.700 0.900 0.900 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.34464E-02 ppm1 2.274 ppm2 8.341 CV 1 ASSI { 1437} ( segid " " and resid 2371 and name HG1%) (( segid " " and resid 2371 and name H )) 3.100 1.200 1.200 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.84125E-02 ppm1 1.162 ppm2 8.111 CV 1 ASSI { 1438} ( segid " " and resid 2371 and name HG1%) (( segid " " and resid 2372 and name H )) 3.600 1.600 1.600 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 1.160 ppm2 8.339 CV 1 ASSI { 1439} ( segid " " and resid 2371 and name HG1%) (( segid " " and resid 2367 and name HE22)) 3.900 1.900 1.900 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.12643E-02 ppm1 1.156 ppm2 6.399 CV 1 ASSI { 1440} ( segid " " and resid 2371 and name HG1%) (( segid " " and resid 2371 and name HA )) 2.400 0.700 0.700 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.89222E-02 ppm1 1.160 ppm2 4.044 CV 1 ASSI { 1441} ( segid " " and resid 2371 and name HG1%) (( segid " " and resid 2367 and name HA )) 4.300 2.300 1.700 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.95846E-03 ppm1 1.161 ppm2 4.172 CV 1 ASSI { 1442} ( segid " " and resid 2371 and name HG1%) (( segid " " and resid 2371 and name HB )) 2.300 0.700 0.700 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.85960E-02 ppm1 1.160 ppm2 2.274 CV 1 ASSI { 1443} ( segid " " and resid 2371 and name HG1%) (( segid " " and resid 2367 and name HB2 )) 3.700 1.700 1.700 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 1.157 ppm2 2.474 CV 1 ASSI { 1447} ( segid " " and resid 2440 and name HG2%) (( segid " " and resid 2440 and name HA )) 2.500 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.59446E-02 ppm1 1.067 ppm2 3.693 CV 1 ASSI { 1450} ( segid " " and resid 2440 and name HG2%) (( segid " " and resid 2440 and name H )) 3.000 1.100 1.100 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.27531E-02 ppm1 1.070 ppm2 7.987 CV 1 ASSI { 1451} ( segid " " and resid 2371 and name HG2%) (( segid " " and resid 2371 and name H )) 3.100 1.200 1.200 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.15193E-02 ppm1 1.094 ppm2 8.112 CV 1 ASSI { 1452} (( segid " " and resid 2373 and name HA )) (( segid " " and resid 2373 and name H )) 2.300 0.700 0.700 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.97172E-02 ppm1 4.385 ppm2 8.108 CV 1 ASSI { 1453} (( segid " " and resid 2373 and name HA )) (( segid " " and resid 2373 and name HG3 )) 2.500 0.800 0.800 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.11960E-01 ppm1 4.387 ppm2 2.560 CV 1 ASSI { 1454} (( segid " " and resid 2334 and name HA )) ( segid " " and resid 2335 and name HB% ) 3.900 1.900 1.900 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.13357E-02 ppm1 4.377 ppm2 1.499 CV 1 ASSI { 1456} (( segid " " and resid 2373 and name HB3 )) (( segid " " and resid 2373 and name HA )) 2.400 0.700 0.700 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.68927E-02 ppm1 2.334 ppm2 4.380 CV 1 ASSI { 1458} (( segid " " and resid 2422 and name HB3 )) (( segid " " and resid 2423 and name H )) 2.800 1.000 1.000 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.29978E-02 ppm1 2.151 ppm2 7.931 CV 1 ASSI { 1459} (( segid " " and resid 2373 and name HG2 )) (( segid " " and resid 2373 and name H )) 3.300 1.400 1.400 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.41500E-02 ppm1 2.754 ppm2 8.102 CV 1 ASSI { 1460} (( segid " " and resid 2373 and name HG2 )) (( segid " " and resid 2373 and name HE22)) 3.700 1.700 1.700 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.19272E-02 ppm1 2.746 ppm2 7.426 CV 1 ASSI { 1461} (( segid " " and resid 2373 and name HG2 )) (( segid " " and resid 2373 and name HE21)) 3.100 1.200 1.200 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.14377E-02 ppm1 2.745 ppm2 6.840 CV 1 ASSI { 1463} (( segid " " and resid 2373 and name HG2 )) (( segid " " and resid 2373 and name HB3 )) 2.500 0.800 0.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.46598E-02 ppm1 2.749 ppm2 2.337 CV 1 ASSI { 1466} (( segid " " and resid 2373 and name HG2 )) ( segid " " and resid 2372 and name HB% ) 4.400 2.500 1.600 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.62199E-03 ppm1 2.745 ppm2 1.648 CV 1 ASSI { 1469} (( segid " " and resid 2373 and name HG3 )) (( segid " " and resid 2373 and name H )) 2.600 0.800 0.800 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.35892E-02 ppm1 2.551 ppm2 8.102 CV 1 ASSI { 1470} (( segid " " and resid 2374 and name HA2 )) (( segid " " and resid 2374 and name H )) 2.200 0.600 0.600 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.87996E-02 ppm1 4.034 ppm2 8.146 CV 1 ASSI { 1471} (( segid " " and resid 2374 and name HA2 )) (( segid " " and resid 2374 and name HA3 )) 1.700 0.300 0.500 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.33761E-01 ppm1 4.034 ppm2 4.101 CV 1 ASSI { 1473} (( segid " " and resid 2377 and name HA2 )) (( segid " " and resid 2377 and name HA3 )) 1.600 0.300 0.600 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.41368E-01 ppm1 4.121 ppm2 3.974 CV 1 ASSI { 1474} (( segid " " and resid 2374 and name HA3 )) (( segid " " and resid 2374 and name H )) 2.500 0.800 0.800 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.10961E-01 ppm1 4.103 ppm2 8.144 CV 1 ASSI { 1480} (( segid " " and resid 2376 and name HA )) (( segid " " and resid 2376 and name HB )) 2.400 0.700 0.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.74942E-02 ppm1 4.295 ppm2 1.937 CV 1 ASSI { 1482} (( segid " " and resid 2376 and name HA )) (( segid " " and resid 2376 and name H )) 2.600 0.800 0.800 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.48842E-02 ppm1 4.296 ppm2 7.431 CV 1 ASSI { 1483} (( segid " " and resid 2376 and name HA )) (( segid " " and resid 2377 and name H )) 2.300 0.700 0.700 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.10258E-01 ppm1 4.294 ppm2 8.715 CV 1 ASSI { 1489} (( segid " " and resid 2376 and name HB )) (( segid " " and resid 2445 and name HB3 )) 4.300 2.300 1.700 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.34669E-03 ppm1 1.938 ppm2 1.160 CV 1 ASSI { 1490} ( segid " " and resid 2376 and name HG1%) ( segid " " and resid 2371 and name HG1%) 4.100 2.100 1.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.66278E-03 ppm1 0.888 ppm2 1.172 CV 1 ASSI { 1492} ( segid " " and resid 2376 and name HG1%) (( segid " " and resid 2376 and name HB )) 2.500 0.800 0.800 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.60976E-02 ppm1 0.890 ppm2 1.939 CV 1 ASSI { 1493} ( segid " " and resid 2376 and name HG1%) (( segid " " and resid 2386 and name HB2 )) 3.500 1.500 1.500 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 0.889 ppm2 2.795 CV 1 ASSI { 1494} ( segid " " and resid 2376 and name HG1%) (( segid " " and resid 2376 and name HA )) 2.800 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.42928E-02 ppm1 0.890 ppm2 4.294 CV 1 ASSI { 1496} ( segid " " and resid 2376 and name HG1%) (( segid " " and resid 2377 and name HA3 )) 3.900 1.900 1.900 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.92792E-03 ppm1 0.891 ppm2 3.966 CV 1 ASSI { 1497} ( segid " " and resid 2376 and name HG1%) (( segid " " and resid 2389 and name HZ3 )) 3.100 1.200 1.200 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.18558E-02 ppm1 0.892 ppm2 7.135 CV 1 ASSI { 1498} ( segid " " and resid 2376 and name HG1%) (( segid " " and resid 2376 and name H )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 0.892 ppm2 7.436 CV 1 ASSI { 1499} ( segid " " and resid 2376 and name HG1%) (( segid " " and resid 2389 and name HE3 )) 3.300 1.400 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.13664E-02 ppm1 0.891 ppm2 7.724 CV 1 ASSI { 1500} ( segid " " and resid 2376 and name HG1%) (( segid " " and resid 2377 and name H )) 3.600 1.600 1.600 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 0.890 ppm2 8.715 CV 1 ASSI { 1501} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2371 and name H )) 3.200 1.300 1.300 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.65258E-03 ppm1 0.825 ppm2 8.110 CV 1 ASSI { 1503} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2376 and name H )) 2.900 1.100 1.100 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.25288E-02 ppm1 0.820 ppm2 7.428 CV 1 ASSI { 1504} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2389 and name HZ3 )) 3.300 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.11726E-02 ppm1 0.820 ppm2 7.134 CV 1 ASSI { 1505} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2376 and name HA )) 3.000 1.100 1.100 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.31099E-02 ppm1 0.820 ppm2 4.294 CV 1 ASSI { 1506} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2377 and name HA2 )) 4.700 2.800 1.300 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.22432E-03 ppm1 0.819 ppm2 4.124 CV 1 ASSI { 1507} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2371 and name HA )) 3.800 1.800 1.800 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.60160E-03 ppm1 0.816 ppm2 4.036 CV 1 ASSI { 1508} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2376 and name HB )) 2.600 0.900 0.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.42316E-02 ppm1 0.819 ppm2 1.943 CV 1 ASSI { 1509} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2445 and name HE3 )) 4.400 2.400 1.600 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.36707E-03 ppm1 0.821 ppm2 2.564 CV 1 OR { 1509} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2445 and name HE2 )) ASSI { 1510} ( segid " " and resid 2376 and name HG2%) (( segid " " and resid 2386 and name HB2 )) 3.900 1.900 1.900 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 0.815 ppm2 2.793 CV 1 ASSI { 1514} ( segid " " and resid 2376 and name HG1%) ( segid " " and resid 2376 and name HG2%) 2.900 1.000 1.000 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.32731E-02 ppm1 0.889 ppm2 0.804 CV 1 ASSI { 1516} (( segid " " and resid 2377 and name HA3 )) ( segid " " and resid 2302 and name HG2%) 3.600 3.600 2.400 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.84634E-03 ppm1 3.969 ppm2 1.348 CV 1 ASSI { 1517} (( segid " " and resid 2377 and name HA3 )) ( segid " " and resid 2378 and name HB% ) 4.800 2.900 1.200 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.54042E-03 ppm1 3.971 ppm2 1.487 CV 1 ASSI { 1519} (( segid " " and resid 2377 and name HA3 )) (( segid " " and resid 2377 and name H )) 2.600 0.800 0.800 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.64035E-02 ppm1 3.970 ppm2 8.715 CV 1 ASSI { 1520} (( segid " " and resid 2377 and name HA3 )) (( segid " " and resid 2378 and name H )) 3.300 1.400 1.400 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.32221E-02 ppm1 3.974 ppm2 8.299 CV 1 ASSI { 1521} (( segid " " and resid 2377 and name HA2 )) (( segid " " and resid 2377 and name H )) 2.600 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.48739E-02 ppm1 4.121 ppm2 8.717 CV 1 ASSI { 1523} (( segid " " and resid 2377 and name HA2 )) ( segid " " and resid 2302 and name HG2%) 3.600 3.600 2.400 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 4.114 ppm2 1.347 CV 1 ASSI { 1524} (( segid " " and resid 2377 and name HA2 )) ( segid " " and resid 2376 and name HG1%) 4.300 2.300 1.700 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.65258E-03 ppm1 4.124 ppm2 0.886 CV 1 ASSI { 1526} (( segid " " and resid 2378 and name HA )) (( segid " " and resid 2379 and name HA )) 2.800 2.800 3.200 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.65768E-02 ppm1 4.540 ppm2 4.634 CV 1 ASSI { 1527} (( segid " " and resid 2378 and name HA )) (( segid " " and resid 2379 and name H )) 2.300 0.700 0.700 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.79738E-02 ppm1 4.539 ppm2 7.924 CV 1 ASSI { 1528} (( segid " " and resid 2378 and name HA )) (( segid " " and resid 2378 and name H )) 2.600 0.800 0.800 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.58426E-02 ppm1 4.539 ppm2 8.303 CV 1 ASSI { 1529} ( segid " " and resid 2378 and name HB% ) (( segid " " and resid 2378 and name H )) 2.700 0.900 0.900 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.41296E-02 ppm1 1.479 ppm2 8.299 CV 1 ASSI { 1530} ( segid " " and resid 2446 and name HB% ) (( segid " " and resid 2446 and name H )) 2.500 0.800 0.800 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.59650E-02 ppm1 1.473 ppm2 7.813 CV 1 ASSI { 1532} ( segid " " and resid 2446 and name HB% ) (( segid " " and resid 2446 and name HA )) 2.200 0.600 0.600 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.11726E-01 ppm1 1.474 ppm2 4.434 CV 1 ASSI { 1533} ( segid " " and resid 2446 and name HB% ) (( segid " " and resid 2453 and name HG2 )) 2.800 1.000 1.000 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.28550E-02 ppm1 1.475 ppm2 2.757 CV 1 ASSI { 1534} ( segid " " and resid 2446 and name HB% ) ( segid " " and resid 2370 and name HD2%) 3.800 1.800 1.800 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.71379E-03 ppm1 1.475 ppm2 0.833 CV 1 OR { 1534} ( segid " " and resid 2446 and name HB% ) ( segid " " and resid 2370 and name HD1%) ASSI { 1535} (( segid " " and resid 2379 and name HA )) ( segid " " and resid 2379 and name HG2%) 2.200 0.600 0.600 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.10023E-01 ppm1 4.621 ppm2 0.998 CV 1 ASSI { 1537} (( segid " " and resid 2379 and name HB )) (( segid " " and resid 2382 and name HD21)) 3.100 1.200 1.200 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.12338E-02 ppm1 1.972 ppm2 7.694 CV 1 ASSI { 1541} (( segid " " and resid 2379 and name HB )) (( segid " " and resid 2379 and name HG12)) 2.700 0.900 0.900 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.28856E-02 ppm1 1.978 ppm2 1.224 CV 1 ASSI { 1544} ( segid " " and resid 2379 and name HG2%) (( segid " " and resid 2382 and name HB2 )) 3.600 1.700 1.700 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 1.000 ppm2 2.831 CV 1 ASSI { 1549} (( segid " " and resid 2379 and name HG13)) (( segid " " and resid 2379 and name HG12)) 1.600 0.300 0.600 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.35433E-01 ppm1 1.600 ppm2 1.225 CV 1 ASSI { 1554} (( segid " " and resid 2379 and name HG12)) (( segid " " and resid 2379 and name H )) 2.700 0.900 0.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.26613E-02 ppm1 1.222 ppm2 7.924 CV 1 ASSI { 1555} ( segid " " and resid 2379 and name HD1%) (( segid " " and resid 2379 and name HA )) 2.400 0.700 0.700 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.65156E-02 ppm1 0.945 ppm2 4.645 CV 1 ASSI { 1556} ( segid " " and resid 2379 and name HD1%) (( segid " " and resid 2379 and name HB )) 3.200 1.200 1.200 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.39665E-02 ppm1 0.946 ppm2 1.969 CV 1 ASSI { 1557} ( segid " " and resid 2379 and name HD1%) (( segid " " and resid 2379 and name HG13)) 2.500 0.800 0.800 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.60670E-02 ppm1 0.947 ppm2 1.600 CV 1 ASSI { 1558} ( segid " " and resid 2379 and name HD1%) (( segid " " and resid 2379 and name HG12)) 2.400 0.700 0.700 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.66584E-02 ppm1 0.948 ppm2 1.229 CV 1 ASSI { 1561} (( segid " " and resid 2301 and name HA )) (( segid " " and resid 2304 and name HG13)) 2.600 0.900 0.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.39563E-02 ppm1 4.399 ppm2 1.291 CV 1 ASSI { 1564} (( segid " " and resid 2450 and name HB3 )) (( segid " " and resid 2453 and name HB3 )) 2.300 0.600 0.600 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.48739E-02 ppm1 4.408 ppm2 2.200 CV 1 OR { 1564} (( segid " " and resid 2450 and name HB3 )) (( segid " " and resid 2453 and name HB2 )) ASSI { 1568} (( segid " " and resid 2450 and name HB3 )) (( segid " " and resid 2450 and name HB2 )) 1.600 0.300 0.600 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.25481E-01 ppm1 4.417 ppm2 4.035 CV 1 ASSI { 1573} (( segid " " and resid 2450 and name HB3 )) (( segid " " and resid 2451 and name H )) 3.100 1.200 1.200 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.29774E-02 ppm1 4.417 ppm2 9.067 CV 1 ASSI { 1574} (( segid " " and resid 2450 and name HB3 )) (( segid " " and resid 2452 and name H )) 3.100 1.200 1.200 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.26715E-02 ppm1 4.413 ppm2 8.920 CV 1 ASSI { 1576} (( segid " " and resid 2464 and name HB2 )) (( segid " " and resid 2464 and name H )) 2.200 0.600 0.600 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.10064E-01 ppm1 2.068 ppm2 7.996 CV 1 ASSI { 1577} (( segid " " and resid 2380 and name HB2 )) (( segid " " and resid 2380 and name HA )) 2.700 0.900 0.900 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.62505E-02 ppm1 2.070 ppm2 4.414 CV 1 ASSI { 1579} (( segid " " and resid 2380 and name HB2 )) (( segid " " and resid 2380 and name HB3 )) 1.700 0.300 0.500 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.24237E-01 ppm1 2.064 ppm2 2.447 CV 1 ASSI { 1580} (( segid " " and resid 2380 and name HB2 )) (( segid " " and resid 2380 and name HG2 )) 2.000 0.500 0.500 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.16131E-01 ppm1 2.068 ppm2 2.199 CV 1 ASSI { 1583} (( segid " " and resid 2380 and name HB3 )) (( segid " " and resid 2380 and name HB2 )) 1.800 0.400 0.400 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.18201E-01 ppm1 2.452 ppm2 2.071 CV 1 OR { 1583} (( segid " " and resid 2380 and name HB3 )) (( segid " " and resid 2380 and name HG3 )) ASSI { 1584} (( segid " " and resid 2380 and name HB3 )) (( segid " " and resid 2380 and name HG2 )) 2.600 0.900 0.900 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.93194E-02 ppm1 2.457 ppm2 2.190 CV 1 ASSI { 1587} (( segid " " and resid 2301 and name HG2 )) (( segid " " and resid 2302 and name H )) 2.500 0.800 0.800 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.24778E-02 ppm1 2.186 ppm2 8.528 CV 1 ASSI { 1590} (( segid " " and resid 2301 and name HG2 )) (( segid " " and resid 2301 and name HD2 )) 2.300 0.600 0.600 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.51085E-02 ppm1 2.205 ppm2 3.896 CV 1 ASSI { 1594} (( segid " " and resid 2301 and name HG3 )) (( segid " " and resid 2301 and name HD3 )) 2.200 0.600 0.600 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.55469E-02 ppm1 2.076 ppm2 4.082 CV 1 ASSI { 1596} (( segid " " and resid 2380 and name HD3 )) (( segid " " and resid 2300 and name HA )) 1.800 0.400 0.400 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.18405E-01 ppm1 4.129 ppm2 4.950 CV 1 ASSI { 1597} (( segid " " and resid 2380 and name HD3 )) (( segid " " and resid 2380 and name HA )) 2.900 1.000 1.000 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 4.131 ppm2 4.400 CV 1 ASSI { 1598} (( segid " " and resid 2380 and name HD3 )) (( segid " " and resid 2380 and name HD2 )) 1.500 0.300 0.700 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.38594E-01 ppm1 4.128 ppm2 4.044 CV 1 ASSI { 1599} (( segid " " and resid 2380 and name HD3 )) (( segid " " and resid 2380 and name HG2 )) 2.400 0.700 0.700 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.13041E-01 ppm1 4.127 ppm2 2.189 CV 1 ASSI { 1600} (( segid " " and resid 2380 and name HD3 )) (( segid " " and resid 2380 and name HB3 )) 3.000 1.200 1.200 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.25899E-02 ppm1 4.126 ppm2 2.461 CV 1 ASSI { 1601} (( segid " " and resid 2380 and name HD3 )) (( segid " " and resid 2300 and name HB3 )) 3.500 1.500 1.500 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 4.132 ppm2 2.927 CV 1 ASSI { 1602} (( segid " " and resid 2380 and name HD3 )) (( segid " " and resid 2300 and name HB2 )) 3.500 1.500 1.500 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.16110E-02 ppm1 4.130 ppm2 2.774 CV 1 ASSI { 1605} (( segid " " and resid 2301 and name HD3 )) (( segid " " and resid 2300 and name HB3 )) 4.100 2.100 1.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.11216E-02 ppm1 4.043 ppm2 2.947 CV 1 ASSI { 1606} (( segid " " and resid 2380 and name HD2 )) (( segid " " and resid 2300 and name HB2 )) 2.800 2.800 3.200 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 4.038 ppm2 2.774 CV 1 ASSI { 1609} (( segid " " and resid 2301 and name HD3 )) (( segid " " and resid 2300 and name HA )) 2.000 0.500 0.500 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.19088E-01 ppm1 4.042 ppm2 4.949 CV 1 ASSI { 1610} (( segid " " and resid 2381 and name HA )) (( segid " " and resid 2382 and name H )) 2.900 1.000 1.000 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.36504E-02 ppm1 4.312 ppm2 8.105 CV 1 ASSI { 1611} (( segid " " and resid 2381 and name HA )) (( segid " " and resid 2381 and name H )) 2.600 0.800 0.800 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.47312E-02 ppm1 4.314 ppm2 8.329 CV 1 ASSI { 1613} (( segid " " and resid 2381 and name HA )) ( segid " " and resid 2379 and name HG2%) 4.900 3.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.57101E-03 ppm1 4.317 ppm2 0.997 CV 1 ASSI { 1616} ( segid " " and resid 2381 and name HB% ) (( segid " " and resid 2381 and name H )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.28040E-02 ppm1 1.496 ppm2 8.337 CV 1 ASSI { 1617} (( segid " " and resid 2382 and name HA )) (( segid " " and resid 2383 and name H )) 2.900 1.000 1.000 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.28958E-02 ppm1 4.982 ppm2 7.932 CV 1 ASSI { 1619} (( segid " " and resid 2382 and name HA )) (( segid " " and resid 2382 and name HB3 )) 2.500 0.800 0.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.68626E-02 ppm1 4.993 ppm2 3.190 CV 1 ASSI { 1621} (( segid " " and resid 2382 and name HA )) ( segid " " and resid 2381 and name HB% ) 4.000 2.000 2.000 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.63219E-03 ppm1 4.985 ppm2 1.490 CV 1 ASSI { 1622} (( segid " " and resid 2382 and name HB2 )) (( segid " " and resid 2379 and name HB )) 2.600 0.800 0.800 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.30896E-02 ppm1 2.838 ppm2 1.981 CV 1 ASSI { 1624} (( segid " " and resid 2382 and name HB2 )) ( segid " " and resid 2381 and name HB% ) 4.700 2.800 1.300 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.29570E-03 ppm1 2.836 ppm2 1.499 CV 1 ASSI { 1625} (( segid " " and resid 2382 and name HB2 )) (( segid " " and resid 2382 and name HB3 )) 1.700 0.400 0.500 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.22657E-01 ppm1 2.836 ppm2 3.191 CV 1 ASSI { 1627} (( segid " " and resid 2382 and name HB2 )) (( segid " " and resid 2382 and name HD22)) 3.700 1.700 1.700 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.21413E-02 ppm1 2.836 ppm2 6.916 CV 1 ASSI { 1628} (( segid " " and resid 2382 and name HB2 )) (( segid " " and resid 2382 and name HD21)) 2.700 0.900 0.900 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.26205E-02 ppm1 2.840 ppm2 7.694 CV 1 ASSI { 1632} (( segid " " and resid 2298 and name HB2 )) ( segid " " and resid 2298 and name HD% ) 2.800 1.000 1.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.27327E-02 ppm1 3.181 ppm2 7.402 CV 1 ASSI { 1633} (( segid " " and resid 2382 and name HB3 )) (( segid " " and resid 2382 and name H )) 3.500 1.500 1.500 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.20087E-02 ppm1 3.191 ppm2 8.102 CV 1 ASSI { 1634} (( segid " " and resid 2298 and name HB2 )) (( segid " " and resid 2298 and name HB3 )) 1.400 0.200 0.800 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.82222E-01 ppm1 3.182 ppm2 3.297 CV 1 ASSI { 1637} ( segid " " and resid 2383 and name HB% ) (( segid " " and resid 2384 and name H )) 3.000 1.100 1.100 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.28754E-02 ppm1 1.573 ppm2 8.333 CV 1 ASSI { 1639} (( segid " " and resid 2384 and name HA )) (( segid " " and resid 2384 and name HB2 )) 2.600 0.900 0.900 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.52717E-02 ppm1 4.377 ppm2 1.766 CV 1 OR { 1639} (( segid " " and resid 2384 and name HA )) (( segid " " and resid 2384 and name HG )) ASSI { 1641} (( segid " " and resid 2384 and name HA )) (( segid " " and resid 2385 and name H )) 2.700 0.900 0.900 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.47822E-02 ppm1 4.379 ppm2 8.136 CV 1 ASSI { 1642} (( segid " " and resid 2384 and name HB2 )) (( segid " " and resid 2384 and name H )) 2.400 0.700 0.700 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.53634E-02 ppm1 1.753 ppm2 8.321 CV 1 ASSI { 1648} (( segid " " and resid 2346 and name HG )) (( segid " " and resid 2346 and name HA )) 2.700 0.900 0.900 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.46088E-02 ppm1 1.756 ppm2 4.024 CV 1 ASSI { 1649} (( segid " " and resid 2465 and name HG3 )) (( segid " " and resid 2465 and name HD3 )) 2.400 0.700 0.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.69235E-02 ppm1 1.736 ppm2 3.336 CV 1 OR { 1649} (( segid " " and resid 2465 and name HG3 )) (( segid " " and resid 2465 and name HD2 )) ASSI { 1650} (( segid " " and resid 2465 and name HG3 )) (( segid " " and resid 2465 and name HB2 )) 2.400 0.700 0.700 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.74433E-02 ppm1 1.735 ppm2 1.963 CV 1 OR { 1650} (( segid " " and resid 2465 and name HG3 )) (( segid " " and resid 2465 and name HB3 )) ASSI { 1651} (( segid " " and resid 2465 and name HG3 )) (( segid " " and resid 2465 and name HG2 )) 1.600 0.300 0.600 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.25624E-01 ppm1 1.734 ppm2 1.875 CV 1 ASSI { 1652} ( segid " " and resid 2384 and name HD2%) (( segid " " and resid 2384 and name HA )) 2.600 0.800 0.800 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.52410E-02 ppm1 0.966 ppm2 4.378 CV 1 ASSI { 1653} ( segid " " and resid 2384 and name HD2%) (( segid " " and resid 2384 and name HG )) 2.600 0.900 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.40379E-02 ppm1 0.965 ppm2 1.756 CV 1 OR { 1653} ( segid " " and resid 2384 and name HD2%) (( segid " " and resid 2384 and name HB2 )) ASSI { 1654} (( segid " " and resid 2296 and name HB3 )) (( segid " " and resid 2297 and name HG3 )) 4.000 2.000 2.000 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.29774E-02 ppm1 2.813 ppm2 1.780 CV 1 ASSI { 1655} (( segid " " and resid 2386 and name HA )) (( segid " " and resid 2386 and name HB3 )) 2.700 0.900 0.900 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.35688E-02 ppm1 4.712 ppm2 2.937 CV 1 ASSI { 1657} (( segid " " and resid 2386 and name HB3 )) (( segid " " and resid 2386 and name H )) 3.100 1.200 1.200 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.25797E-02 ppm1 2.932 ppm2 8.805 CV 1 ASSI { 1661} (( segid " " and resid 2386 and name HB3 )) (( segid " " and resid 2386 and name HB2 )) 1.900 0.400 0.400 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.14479E-01 ppm1 2.931 ppm2 2.795 CV 1 ASSI { 1662} (( segid " " and resid 2386 and name HB3 )) ( segid " " and resid 2376 and name HG1%) 4.300 2.400 1.700 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.28550E-03 ppm1 2.936 ppm2 0.891 CV 1 ASSI { 1663} (( segid " " and resid 2386 and name HB3 )) ( segid " " and resid 2383 and name HB% ) 5.300 3.500 0.700 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.25491E-03 ppm1 2.930 ppm2 1.571 CV 1 ASSI { 1666} (( segid " " and resid 2386 and name HB2 )) (( segid " " and resid 2383 and name HA )) 2.900 1.000 1.000 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.21719E-02 ppm1 2.796 ppm2 4.322 CV 1 ASSI { 1668} (( segid " " and resid 2386 and name HB2 )) (( segid " " and resid 2386 and name H )) 2.900 1.000 1.000 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 2.793 ppm2 8.808 CV 1 ASSI { 1671} (( segid " " and resid 2392 and name HA3 )) (( segid " " and resid 2392 and name H )) 2.200 0.600 0.600 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.93910E-02 ppm1 4.025 ppm2 8.124 CV 1 ASSI { 1672} (( segid " " and resid 2392 and name HA3 )) (( segid " " and resid 2393 and name H )) 2.700 0.900 0.900 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.33445E-02 ppm1 4.026 ppm2 7.608 CV 1 ASSI { 1676} (( segid " " and resid 2387 and name HA3 )) (( segid " " and resid 2391 and name HB2 )) 3.400 3.400 2.600 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.12236E-02 ppm1 4.211 ppm2 2.197 CV 1 ASSI { 1677} (( segid " " and resid 2387 and name HA3 )) (( segid " " and resid 2387 and name H )) 2.300 0.700 0.700 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.67092E-02 ppm1 4.209 ppm2 8.664 CV 1 ASSI { 1678} (( segid " " and resid 2387 and name HA3 )) (( segid " " and resid 2390 and name H )) 4.000 2.000 2.000 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 4.208 ppm2 8.516 CV 1 ASSI { 1679} (( segid " " and resid 2387 and name HA3 )) (( segid " " and resid 2388 and name H )) 2.800 1.000 1.000 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.27225E-02 ppm1 4.210 ppm2 8.370 CV 1 ASSI { 1680} (( segid " " and resid 2388 and name HA )) (( segid " " and resid 2389 and name H )) 2.900 1.100 1.100 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.31304E-02 ppm1 4.260 ppm2 8.666 CV 1 ASSI { 1683} (( segid " " and resid 2388 and name HA )) (( segid " " and resid 2391 and name H )) 2.900 1.100 1.100 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.27633E-02 ppm1 4.264 ppm2 8.232 CV 1 ASSI { 1687} (( segid " " and resid 2388 and name HA )) (( segid " " and resid 2388 and name HB3 )) 2.600 0.800 0.800 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.51798E-02 ppm1 4.262 ppm2 2.320 CV 1 OR { 1687} (( segid " " and resid 2388 and name HA )) (( segid " " and resid 2388 and name HB2 )) ASSI { 1688} (( segid " " and resid 2388 and name HA )) (( segid " " and resid 2391 and name HB2 )) 2.600 0.900 0.900 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.43131E-02 ppm1 4.263 ppm2 2.231 CV 1 OR { 1688} (( segid " " and resid 2388 and name HA )) (( segid " " and resid 2391 and name HB3 )) ASSI { 1690} (( segid " " and resid 2430 and name HB3 )) (( segid " " and resid 2431 and name H )) 3.000 1.100 1.100 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.39359E-02 ppm1 2.329 ppm2 8.493 CV 1 ASSI { 1692} (( segid " " and resid 2388 and name HB2 )) (( segid " " and resid 2389 and name HA )) 3.100 1.200 1.200 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.23860E-02 ppm1 2.328 ppm2 4.441 CV 1 OR { 1692} (( segid " " and resid 2388 and name HB3 )) (( segid " " and resid 2389 and name HA )) ASSI { 1693} (( segid " " and resid 2430 and name HB3 )) (( segid " " and resid 2430 and name HA )) 2.300 0.600 0.600 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.89014E-02 ppm1 2.328 ppm2 4.358 CV 1 ASSI { 1696} (( segid " " and resid 2416 and name HG2 )) ( segid " " and resid 2415 and name HG2%) 3.000 1.100 1.100 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.95846E-03 ppm1 2.633 ppm2 1.190 CV 1 ASSI { 1697} (( segid " " and resid 2416 and name HG2 )) (( segid " " and resid 2416 and name HB3 )) 2.600 0.800 0.800 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.90548E-02 ppm1 2.638 ppm2 2.075 CV 1 ASSI { 1701} (( segid " " and resid 2416 and name HG2 )) (( segid " " and resid 2416 and name HA )) 2.300 0.700 0.700 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.90340E-02 ppm1 2.637 ppm2 4.456 CV 1 ASSI { 1703} (( segid " " and resid 2416 and name HG2 )) (( segid " " and resid 2416 and name H )) 2.400 0.700 0.700 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.78003E-02 ppm1 2.638 ppm2 7.683 CV 1 ASSI { 1704} (( segid " " and resid 2388 and name HG2 )) (( segid " " and resid 2388 and name H )) 2.700 0.900 0.900 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.70863E-02 ppm1 2.642 ppm2 8.359 CV 1 ASSI { 1705} (( segid " " and resid 2388 and name HG3 )) (( segid " " and resid 2388 and name H )) 2.400 0.700 0.700 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.60363E-02 ppm1 2.518 ppm2 8.368 CV 1 ASSI { 1707} (( segid " " and resid 2389 and name HA )) (( segid " " and resid 2389 and name HB3 )) 2.800 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.56387E-02 ppm1 4.449 ppm2 3.634 CV 1 ASSI { 1708} (( segid " " and resid 2389 and name HA )) (( segid " " and resid 2389 and name HB2 )) 2.300 0.600 0.600 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.81573E-02 ppm1 4.448 ppm2 3.520 CV 1 ASSI { 1710} (( segid " " and resid 2389 and name HA )) (( segid " " and resid 2389 and name H )) 2.700 0.900 0.900 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.42622E-02 ppm1 4.448 ppm2 8.657 CV 1 ASSI { 1712} (( segid " " and resid 2389 and name HB3 )) (( segid " " and resid 2390 and name H )) 2.800 1.000 1.000 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.20801E-02 ppm1 3.637 ppm2 8.516 CV 1 ASSI { 1715} (( segid " " and resid 2389 and name HB3 )) (( segid " " and resid 2386 and name HA )) 2.900 1.000 1.000 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 3.639 ppm2 4.703 CV 1 ASSI { 1717} (( segid " " and resid 2389 and name HB3 )) (( segid " " and resid 2389 and name HB2 )) 2.000 0.500 0.500 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.77902E-02 ppm1 3.636 ppm2 3.519 CV 1 ASSI { 1721} (( segid " " and resid 2389 and name HB2 )) (( segid " " and resid 2386 and name HA )) 3.200 1.300 1.300 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.20393E-02 ppm1 3.517 ppm2 4.706 CV 1 ASSI { 1724} (( segid " " and resid 2389 and name HB2 )) (( segid " " and resid 2389 and name H )) 2.700 0.900 0.900 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.33955E-02 ppm1 3.518 ppm2 8.662 CV 1 ASSI { 1725} (( segid " " and resid 2389 and name HB2 )) (( segid " " and resid 2390 and name H )) 3.900 1.900 1.900 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.17946E-02 ppm1 3.516 ppm2 8.512 CV 1 ASSI { 1727} (( segid " " and resid 2390 and name HA )) ( segid " " and resid 2394 and name HD1%) 4.200 2.200 1.800 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.45885E-03 ppm1 3.814 ppm2 0.856 CV 1 ASSI { 1729} (( segid " " and resid 2390 and name HB3 )) ( segid " " and resid 2393 and name HD2%) 5.200 3.400 0.800 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.16315E-03 ppm1 3.608 ppm2 0.661 CV 1 OR { 1729} (( segid " " and resid 2390 and name HB2 )) ( segid " " and resid 2393 and name HD2%) ASSI { 1730} (( segid " " and resid 2390 and name HB3 )) (( segid " " and resid 2393 and name HB2 )) 4.200 2.200 1.800 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 3.616 ppm2 1.142 CV 1 OR { 1730} (( segid " " and resid 2390 and name HB2 )) (( segid " " and resid 2393 and name HB2 )) ASSI { 1733} (( segid " " and resid 2390 and name HB3 )) (( segid " " and resid 2390 and name HA )) 3.100 1.200 1.200 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.16621E-02 ppm1 3.613 ppm2 3.819 CV 1 OR { 1733} (( segid " " and resid 2390 and name HB2 )) (( segid " " and resid 2390 and name HA )) ASSI { 1734} (( segid " " and resid 2390 and name HB2 )) (( segid " " and resid 2387 and name HA2 )) 3.100 1.200 1.200 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.16110E-02 ppm1 3.612 ppm2 4.027 CV 1 OR { 1734} (( segid " " and resid 2390 and name HB3 )) (( segid " " and resid 2387 and name HA2 )) ASSI { 1735} (( segid " " and resid 2390 and name HB3 )) (( segid " " and resid 2389 and name HE3 )) 4.000 2.000 2.000 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.49963E-03 ppm1 3.613 ppm2 7.711 CV 1 OR { 1735} (( segid " " and resid 2390 and name HB2 )) (( segid " " and resid 2389 and name HE3 )) ASSI { 1736} (( segid " " and resid 2390 and name HB2 )) (( segid " " and resid 2393 and name H )) 3.900 1.900 1.900 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 3.615 ppm2 7.610 CV 1 OR { 1736} (( segid " " and resid 2390 and name HB3 )) (( segid " " and resid 2393 and name H )) ASSI { 1739} (( segid " " and resid 2390 and name HB3 )) (( segid " " and resid 2390 and name H )) 3.400 1.500 1.500 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.94828E-03 ppm1 3.613 ppm2 8.516 CV 1 OR { 1739} (( segid " " and resid 2390 and name HB2 )) (( segid " " and resid 2390 and name H )) ASSI { 1743} (( segid " " and resid 2457 and name HA )) (( segid " " and resid 2460 and name H )) 2.900 1.100 1.100 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.38135E-02 ppm1 4.019 ppm2 8.959 CV 1 ASSI { 1744} (( segid " " and resid 2391 and name HB2 )) (( segid " " and resid 2391 and name H )) 2.600 0.900 0.900 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.41704E-02 ppm1 2.228 ppm2 8.233 CV 1 OR { 1744} (( segid " " and resid 2391 and name HB3 )) (( segid " " and resid 2391 and name H )) ASSI { 1745} (( segid " " and resid 2437 and name HB3 )) (( segid " " and resid 2438 and name H )) 2.500 0.800 0.800 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.44049E-02 ppm1 2.239 ppm2 8.003 CV 1 ASSI { 1746} (( segid " " and resid 2437 and name HB3 )) (( segid " " and resid 2437 and name H )) 2.200 0.600 0.600 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.88813E-02 ppm1 2.239 ppm2 7.728 CV 1 ASSI { 1747} (( segid " " and resid 2437 and name HB3 )) (( segid " " and resid 2437 and name HB2 )) 1.600 0.300 0.600 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.33394E-01 ppm1 2.238 ppm2 2.327 CV 1 ASSI { 1748} (( segid " " and resid 2437 and name HB3 )) ( segid " " and resid 2396 and name HB% ) 3.100 1.200 1.200 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.13765E-02 ppm1 2.237 ppm2 1.500 CV 1 ASSI { 1749} (( segid " " and resid 2392 and name HA2 )) (( segid " " and resid 2392 and name H )) 2.600 0.900 0.900 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.81881E-02 ppm1 3.930 ppm2 8.125 CV 1 ASSI { 1750} (( segid " " and resid 2392 and name HA2 )) (( segid " " and resid 2393 and name H )) 3.100 1.200 1.200 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.29061E-02 ppm1 3.925 ppm2 7.612 CV 1 ASSI { 1754} (( segid " " and resid 2392 and name HA2 )) (( segid " " and resid 2391 and name HB3 )) 3.500 1.500 1.500 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.98907E-03 ppm1 3.917 ppm2 2.231 CV 1 ASSI { 1755} (( segid " " and resid 2393 and name HA )) (( segid " " and resid 2397 and name H )) 3.300 1.400 1.400 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 3.832 ppm2 8.665 CV 1 ASSI { 1756} (( segid " " and resid 2393 and name HA )) (( segid " " and resid 2394 and name H )) 3.100 1.200 1.200 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.19883E-02 ppm1 3.833 ppm2 8.109 CV 1 ASSI { 1757} (( segid " " and resid 2393 and name HA )) (( segid " " and resid 2396 and name H )) 3.000 1.100 1.100 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.23656E-02 ppm1 3.831 ppm2 7.964 CV 1 ASSI { 1758} (( segid " " and resid 2393 and name HA )) (( segid " " and resid 2393 and name H )) 2.600 0.800 0.800 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.49352E-02 ppm1 3.834 ppm2 7.611 CV 1 ASSI { 1764} (( segid " " and resid 2393 and name HA )) (( segid " " and resid 2393 and name HB2 )) 2.400 0.700 0.700 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.49453E-02 ppm1 3.832 ppm2 1.138 CV 1 ASSI { 1770} (( segid " " and resid 2393 and name HB2 )) (( segid " " and resid 2393 and name HB3 )) 1.800 0.400 0.400 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.12532E-01 ppm1 1.138 ppm2 1.502 CV 1 ASSI { 1774} (( segid " " and resid 2393 and name HB2 )) (( segid " " and resid 2394 and name H )) 3.600 1.600 1.600 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 1.136 ppm2 8.104 CV 1 ASSI { 1775} (( segid " " and resid 2393 and name HB2 )) (( segid " " and resid 2393 and name H )) 2.500 0.800 0.800 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.46904E-02 ppm1 1.137 ppm2 7.612 CV 1 ASSI { 1776} (( segid " " and resid 2393 and name HB3 )) (( segid " " and resid 2394 and name H )) 2.700 0.900 0.900 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.27531E-02 ppm1 1.503 ppm2 8.103 CV 1 ASSI { 1787} (( segid " " and resid 2393 and name HG )) ( segid " " and resid 2309 and name HD1%) 3.900 1.900 1.900 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.39767E-03 ppm1 1.334 ppm2 0.846 CV 1 OR { 1787} (( segid " " and resid 2393 and name HG )) ( segid " " and resid 2309 and name HD2%) ASSI { 1791} (( segid " " and resid 2393 and name HG )) (( segid " " and resid 2394 and name H )) 3.400 1.500 1.500 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 1.331 ppm2 8.105 CV 1 ASSI { 1792} (( segid " " and resid 2393 and name HG )) (( segid " " and resid 2393 and name H )) 3.600 1.600 1.600 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 1.336 ppm2 7.615 CV 1 ASSI { 1793} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2393 and name H )) 4.100 2.100 1.900 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.13051E-02 ppm1 0.584 ppm2 7.614 CV 1 ASSI { 1794} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2389 and name HZ2 )) 3.400 1.400 1.400 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 0.586 ppm2 7.466 CV 1 ASSI { 1796} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2389 and name HH2 )) 3.600 1.600 1.600 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 0.584 ppm2 7.063 CV 1 ASSI { 1798} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2442 and name HA )) 3.100 1.200 1.200 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 0.586 ppm2 4.528 CV 1 ASSI { 1799} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2438 and name HA )) 3.500 1.500 1.500 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 0.583 ppm2 4.044 CV 1 ASSI { 1802} ( segid " " and resid 2393 and name HD1%) ( segid " " and resid 2363 and name HB% ) 3.300 1.400 1.400 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.12338E-02 ppm1 0.586 ppm2 1.573 CV 1 ASSI { 1803} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2438 and name HG )) 3.300 1.300 1.300 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.16315E-02 ppm1 0.587 ppm2 1.671 CV 1 ASSI { 1804} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2393 and name HG )) 2.600 0.800 0.800 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.41500E-02 ppm1 0.586 ppm2 1.343 CV 1 ASSI { 1805} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2393 and name HB2 )) 2.800 1.000 1.000 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.22229E-02 ppm1 0.586 ppm2 1.142 CV 1 ASSI { 1807} ( segid " " and resid 2393 and name HD1%) ( segid " " and resid 2309 and name HD1%) 4.100 2.100 1.900 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.42826E-03 ppm1 0.586 ppm2 0.839 CV 1 OR { 1807} ( segid " " and resid 2393 and name HD1%) ( segid " " and resid 2309 and name HD2%) ASSI { 1809} ( segid " " and resid 2393 and name HD2%) ( segid " " and resid 2309 and name HD2%) 3.600 1.600 1.600 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.73415E-03 ppm1 0.658 ppm2 0.850 CV 1 OR { 1809} ( segid " " and resid 2393 and name HD2%) ( segid " " and resid 2309 and name HD1%) ASSI { 1810} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2393 and name HB2 )) 2.900 1.100 1.100 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.28754E-02 ppm1 0.657 ppm2 1.136 CV 1 ASSI { 1811} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2393 and name HG )) 2.700 0.900 0.900 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.35586E-02 ppm1 0.660 ppm2 1.336 CV 1 ASSI { 1812} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2393 and name HB3 )) 2.400 0.700 0.700 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.59140E-02 ppm1 0.658 ppm2 1.501 CV 1 ASSI { 1814} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2367 and name HB3 )) 2.900 2.900 3.100 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.12236E-02 ppm1 0.659 ppm2 2.148 CV 1 ASSI { 1815} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2367 and name HG3 )) 3.500 1.500 1.500 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.81573E-03 ppm1 0.657 ppm2 2.472 CV 1 OR { 1815} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2367 and name HG2 )) ASSI { 1818} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2367 and name HA )) 3.900 1.900 1.900 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.87688E-03 ppm1 0.658 ppm2 4.179 CV 1 ASSI { 1819} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2442 and name HA )) 3.500 1.500 1.500 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 0.663 ppm2 4.515 CV 1 ASSI { 1820} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2389 and name HH2 )) 3.200 1.300 1.300 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 0.657 ppm2 7.060 CV 1 ASSI { 1821} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2389 and name HZ3 )) 3.000 1.100 1.100 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.10400E-02 ppm1 0.660 ppm2 7.146 CV 1 ASSI { 1823} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2393 and name H )) 3.100 1.200 1.200 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.87688E-03 ppm1 0.660 ppm2 7.609 CV 1 ASSI { 1826} (( segid " " and resid 2394 and name HB )) (( segid " " and resid 2394 and name H )) 2.500 0.800 0.800 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.44865E-02 ppm1 1.904 ppm2 8.100 CV 1 ASSI { 1830} (( segid " " and resid 2394 and name HB )) ( segid " " and resid 2394 and name HG2%) 3.000 1.200 1.200 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.15193E-02 ppm1 1.904 ppm2 0.874 CV 1 OR { 1830} (( segid " " and resid 2394 and name HB )) (( segid " " and resid 2394 and name HG13)) OR { 1830} (( segid " " and resid 2394 and name HB )) ( segid " " and resid 2394 and name HD1%) ASSI { 1831} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2395 and name H )) 3.300 1.400 1.400 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.17946E-02 ppm1 0.884 ppm2 8.365 CV 1 ASSI { 1832} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2394 and name H )) 3.800 1.800 1.800 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.19680E-02 ppm1 0.881 ppm2 8.100 CV 1 ASSI { 1833} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2398 and name H )) 3.700 1.700 1.700 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.77494E-03 ppm1 0.884 ppm2 8.502 CV 1 ASSI { 1834} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2395 and name HA )) 3.300 1.300 1.300 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.12848E-02 ppm1 0.879 ppm2 4.156 CV 1 ASSI { 1835} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2394 and name HA )) 2.700 0.900 0.900 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.40379E-02 ppm1 0.882 ppm2 3.437 CV 1 ASSI { 1836} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2398 and name HD3 )) 2.900 1.000 1.000 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 0.880 ppm2 3.169 CV 1 ASSI { 1837} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2308 and name HG3 )) 3.100 1.200 1.200 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.14071E-02 ppm1 0.882 ppm2 2.486 CV 1 ASSI { 1838} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2308 and name HG2 )) 4.000 2.000 2.000 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.20393E-02 ppm1 0.881 ppm2 2.342 CV 1 ASSI { 1839} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2398 and name HB2 )) 3.000 1.100 1.100 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.27735E-02 ppm1 0.883 ppm2 2.041 CV 1 ASSI { 1840} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2394 and name HB )) 2.400 0.700 0.700 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.57305E-02 ppm1 0.882 ppm2 1.902 CV 1 ASSI { 1843} (( segid " " and resid 2394 and name HG13)) (( segid " " and resid 2394 and name HB )) 2.900 1.000 1.000 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.16416E-02 ppm1 0.864 ppm2 1.891 CV 1 ASSI { 1846} (( segid " " and resid 2394 and name HG13)) (( segid " " and resid 2394 and name H )) 2.700 0.900 0.900 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 0.868 ppm2 8.105 CV 1 ASSI { 1847} (( segid " " and resid 2394 and name HG12)) (( segid " " and resid 2305 and name HA )) 3.300 1.300 1.300 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.10502E-02 ppm1 0.904 ppm2 4.022 CV 1 ASSI { 1848} (( segid " " and resid 2394 and name HG12)) (( segid " " and resid 2394 and name HA )) 3.100 1.200 1.200 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.11828E-02 ppm1 0.899 ppm2 3.428 CV 1 ASSI { 1849} (( segid " " and resid 2394 and name HG12)) (( segid " " and resid 2394 and name HB )) 3.500 1.500 1.500 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 0.888 ppm2 1.896 CV 1 ASSI { 1851} (( segid " " and resid 2395 and name HA )) (( segid " " and resid 2398 and name HB2 )) 2.600 0.900 0.900 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.34158E-02 ppm1 4.158 ppm2 2.038 CV 1 ASSI { 1853} (( segid " " and resid 2395 and name HA )) (( segid " " and resid 2398 and name HD3 )) 2.800 0.900 0.900 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.24472E-02 ppm1 4.155 ppm2 3.169 CV 1 ASSI { 1855} (( segid " " and resid 2395 and name HA )) (( segid " " and resid 2396 and name H )) 3.200 1.300 1.300 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.17232E-02 ppm1 4.154 ppm2 7.945 CV 1 ASSI { 1856} (( segid " " and resid 2395 and name HA )) (( segid " " and resid 2399 and name H )) 3.300 1.400 1.400 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.13562E-02 ppm1 4.159 ppm2 8.090 CV 1 ASSI { 1857} (( segid " " and resid 2395 and name HA )) (( segid " " and resid 2395 and name H )) 2.600 0.800 0.800 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.45680E-02 ppm1 4.153 ppm2 8.368 CV 1 ASSI { 1858} (( segid " " and resid 2395 and name HA )) (( segid " " and resid 2398 and name H )) 3.000 1.200 1.200 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.20597E-02 ppm1 4.159 ppm2 8.492 CV 1 ASSI { 1859} (( segid " " and resid 2395 and name HA )) (( segid " " and resid 2397 and name H )) 3.600 1.600 1.600 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 4.152 ppm2 8.666 CV 1 ASSI { 1860} (( segid " " and resid 2395 and name HB2 )) (( segid " " and resid 2395 and name H )) 2.700 0.900 0.900 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.39665E-02 ppm1 4.015 ppm2 8.370 CV 1 OR { 1860} (( segid " " and resid 2395 and name HB3 )) (( segid " " and resid 2395 and name H )) ASSI { 1861} (( segid " " and resid 2395 and name HB2 )) (( segid " " and resid 2394 and name H )) 4.100 2.100 1.900 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 4.014 ppm2 8.102 CV 1 OR { 1861} (( segid " " and resid 2395 and name HB3 )) (( segid " " and resid 2394 and name H )) ASSI { 1862} (( segid " " and resid 2395 and name HB2 )) (( segid " " and resid 2396 and name H )) 3.000 1.100 1.100 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 4.010 ppm2 7.955 CV 1 OR { 1862} (( segid " " and resid 2395 and name HB3 )) (( segid " " and resid 2396 and name H )) ASSI { 1863} (( segid " " and resid 2395 and name HB2 )) ( segid " " and resid 2394 and name HG2%) 4.100 2.100 1.900 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.77494E-03 ppm1 4.019 ppm2 0.890 CV 1 ASSI { 1864} (( segid " " and resid 2395 and name HB3 )) ( segid " " and resid 2396 and name HB% ) 4.600 2.700 1.400 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.41806E-03 ppm1 4.017 ppm2 1.493 CV 1 OR { 1864} (( segid " " and resid 2395 and name HB2 )) ( segid " " and resid 2396 and name HB% ) ASSI { 1866} ( segid " " and resid 2396 and name HB% ) (( segid " " and resid 2396 and name HA )) 2.300 0.600 0.600 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.10074E-01 ppm1 1.494 ppm2 4.276 CV 1 ASSI { 1869} (( segid " " and resid 2397 and name HA )) ( segid " " and resid 2397 and name HB% ) 2.400 0.700 0.700 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.61995E-02 ppm1 3.922 ppm2 1.487 CV 1 ASSI { 1871} (( segid " " and resid 2397 and name HA )) (( segid " " and resid 2397 and name H )) 2.400 0.700 0.700 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.56795E-02 ppm1 3.921 ppm2 8.657 CV 1 ASSI { 1872} (( segid " " and resid 2397 and name HA )) (( segid " " and resid 2400 and name H )) 2.700 0.900 0.900 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.35688E-02 ppm1 3.923 ppm2 8.421 CV 1 ASSI { 1878} (( segid " " and resid 2398 and name HG3 )) (( segid " " and resid 2398 and name H )) 3.800 1.800 1.800 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.15703E-02 ppm1 1.737 ppm2 8.496 CV 1 OR { 1878} (( segid " " and resid 2398 and name HG2 )) (( segid " " and resid 2398 and name H )) ASSI { 1879} (( segid " " and resid 2398 and name HD2 )) (( segid " " and resid 2398 and name H )) 2.900 1.100 1.100 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 3.212 ppm2 8.494 CV 1 ASSI { 1880} (( segid " " and resid 2398 and name HD3 )) (( segid " " and resid 2398 and name H )) 3.100 1.200 1.200 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.16824E-02 ppm1 3.166 ppm2 8.495 CV 1 ASSI { 1881} (( segid " " and resid 2398 and name HD2 )) (( segid " " and resid 2399 and name H )) 3.800 1.800 1.800 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.95846E-03 ppm1 3.212 ppm2 8.096 CV 1 ASSI { 1882} (( segid " " and resid 2398 and name HD3 )) (( segid " " and resid 2399 and name H )) 3.500 1.500 1.500 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.13765E-02 ppm1 3.157 ppm2 8.092 CV 1 ASSI { 1883} (( segid " " and resid 2398 and name HD2 )) (( segid " " and resid 2395 and name HA )) 3.200 1.300 1.300 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.30998E-02 ppm1 3.215 ppm2 4.151 CV 1 ASSI { 1885} (( segid " " and resid 2398 and name HD2 )) (( segid " " and resid 2398 and name HA )) 2.800 1.000 1.000 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.31405E-02 ppm1 3.212 ppm2 4.071 CV 1 ASSI { 1886} (( segid " " and resid 2398 and name HD3 )) (( segid " " and resid 2398 and name HA )) 3.300 1.400 1.400 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.27735E-02 ppm1 3.160 ppm2 4.069 CV 1 ASSI { 1887} (( segid " " and resid 2398 and name HD2 )) (( segid " " and resid 2398 and name HB2 )) 2.800 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.52512E-02 ppm1 3.213 ppm2 2.030 CV 1 OR { 1887} (( segid " " and resid 2398 and name HD2 )) (( segid " " and resid 2398 and name HB3 )) ASSI { 1888} (( segid " " and resid 2398 and name HD3 )) (( segid " " and resid 2398 and name HB2 )) 2.500 0.800 0.800 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.50473E-02 ppm1 3.161 ppm2 2.031 CV 1 OR { 1888} (( segid " " and resid 2398 and name HD3 )) (( segid " " and resid 2398 and name HB3 )) ASSI { 1889} (( segid " " and resid 2398 and name HD2 )) (( segid " " and resid 2398 and name HG3 )) 2.700 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.33547E-02 ppm1 3.211 ppm2 1.730 CV 1 OR { 1889} (( segid " " and resid 2398 and name HD2 )) (( segid " " and resid 2398 and name HG2 )) ASSI { 1890} (( segid " " and resid 2398 and name HD3 )) (( segid " " and resid 2398 and name HG2 )) 2.800 1.000 1.000 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.29672E-02 ppm1 3.161 ppm2 1.731 CV 1 OR { 1890} (( segid " " and resid 2398 and name HD3 )) (( segid " " and resid 2398 and name HG3 )) ASSI { 1891} (( segid " " and resid 2398 and name HD2 )) ( segid " " and resid 2394 and name HG2%) 3.300 1.400 1.400 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 3.213 ppm2 0.883 CV 1 ASSI { 1894} (( segid " " and resid 2399 and name HA )) (( segid " " and resid 2399 and name HB2 )) 2.300 0.700 0.700 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.79021E-02 ppm1 4.447 ppm2 2.458 CV 1 ASSI { 1895} (( segid " " and resid 2399 and name HA )) (( segid " " and resid 2399 and name HB3 )) 2.500 0.800 0.800 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.95846E-02 ppm1 4.447 ppm2 2.303 CV 1 ASSI { 1898} (( segid " " and resid 2399 and name HA )) (( segid " " and resid 2396 and name HA )) 3.800 1.800 1.800 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.29468E-02 ppm1 4.449 ppm2 4.263 CV 1 ASSI { 1899} (( segid " " and resid 2399 and name HA )) (( segid " " and resid 2399 and name H )) 2.300 0.700 0.700 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.91566E-02 ppm1 4.447 ppm2 8.092 CV 1 ASSI { 1900} (( segid " " and resid 2399 and name HA )) (( segid " " and resid 2402 and name H )) 2.600 0.800 0.800 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.51493E-02 ppm1 4.445 ppm2 8.474 CV 1 ASSI { 1901} (( segid " " and resid 2399 and name HA )) (( segid " " and resid 2403 and name H )) 2.900 1.100 1.100 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.28653E-02 ppm1 4.449 ppm2 8.696 CV 1 ASSI { 1904} (( segid " " and resid 2399 and name HB3 )) (( segid " " and resid 2396 and name HA )) 2.600 0.900 0.900 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.27327E-02 ppm1 2.298 ppm2 4.283 CV 1 ASSI { 1905} (( segid " " and resid 2399 and name HB3 )) (( segid " " and resid 2399 and name HG3 )) 2.400 0.700 0.700 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.12593E-01 ppm1 2.298 ppm2 2.883 CV 1 ASSI { 1907} (( segid " " and resid 2399 and name HB2 )) (( segid " " and resid 2399 and name HG3 )) 2.100 0.500 0.500 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.12317E-01 ppm1 2.456 ppm2 2.878 CV 1 ASSI { 1908} (( segid " " and resid 2399 and name HB2 )) (( segid " " and resid 2399 and name HG2 )) 2.400 0.700 0.700 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.11757E-01 ppm1 2.455 ppm2 2.762 CV 1 ASSI { 1910} (( segid " " and resid 2301 and name HB3 )) (( segid " " and resid 2387 and name HA2 )) 2.400 2.400 3.600 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.55775E-02 ppm1 2.457 ppm2 4.038 CV 1 ASSI { 1912} (( segid " " and resid 2399 and name HG3 )) (( segid " " and resid 2400 and name H )) 3.700 1.800 1.800 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.17436E-02 ppm1 2.889 ppm2 8.432 CV 1 ASSI { 1913} (( segid " " and resid 2399 and name HG2 )) (( segid " " and resid 2400 and name H )) 3.300 1.400 1.400 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.17436E-02 ppm1 2.762 ppm2 8.421 CV 1 ASSI { 1914} (( segid " " and resid 2399 and name HG3 )) (( segid " " and resid 2399 and name H )) 3.200 1.300 1.300 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.65870E-02 ppm1 2.884 ppm2 8.092 CV 1 ASSI { 1915} (( segid " " and resid 2399 and name HG2 )) (( segid " " and resid 2399 and name H )) 3.200 1.300 1.300 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.56081E-02 ppm1 2.762 ppm2 8.090 CV 1 ASSI { 1917} (( segid " " and resid 2399 and name HG2 )) (( segid " " and resid 2396 and name HA )) 3.400 1.400 1.400 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.37218E-02 ppm1 2.763 ppm2 4.275 CV 1 ASSI { 1918} (( segid " " and resid 2399 and name HG2 )) (( segid " " and resid 2434 and name HB3 )) 2.700 0.900 0.900 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.23248E-02 ppm1 2.761 ppm2 3.992 CV 1 ASSI { 1919} (( segid " " and resid 2399 and name HG2 )) (( segid " " and resid 2399 and name HG3 )) 1.600 0.300 0.600 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.34750E-01 ppm1 2.765 ppm2 2.881 CV 1 ASSI { 1921} (( segid " " and resid 2399 and name HG2 )) (( segid " " and resid 2399 and name HB3 )) 2.100 0.500 0.500 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.13378E-01 ppm1 2.763 ppm2 2.301 CV 1 ASSI { 1922} (( segid " " and resid 2399 and name HG2 )) ( segid " " and resid 2403 and name HB% ) 3.600 1.600 1.600 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.71379E-03 ppm1 2.760 ppm2 1.613 CV 1 ASSI { 1923} (( segid " " and resid 2399 and name HG2 )) ( segid " " and resid 2396 and name HB% ) 4.700 2.700 1.300 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.47924E-03 ppm1 2.754 ppm2 1.491 CV 1 ASSI { 1924} (( segid " " and resid 2399 and name HG2 )) ( segid " " and resid 2400 and name HG1%) 4.500 2.500 1.500 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.26511E-03 ppm1 2.760 ppm2 1.073 CV 1 ASSI { 1925} (( segid " " and resid 2399 and name HG3 )) ( segid " " and resid 2400 and name HG1%) 4.500 2.600 1.500 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 2.890 ppm2 1.067 CV 1 ASSI { 1927} (( segid " " and resid 2399 and name HG3 )) ( segid " " and resid 2396 and name HB% ) 4.900 3.000 1.100 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.46904E-03 ppm1 2.881 ppm2 1.503 CV 1 ASSI { 1932} (( segid " " and resid 2399 and name HG3 )) (( segid " " and resid 2396 and name HA )) 3.500 1.500 1.500 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.36606E-02 ppm1 2.883 ppm2 4.282 CV 1 ASSI { 1933} (( segid " " and resid 2399 and name HG3 )) (( segid " " and resid 2434 and name HB3 )) 3.400 1.500 1.500 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.18966E-02 ppm1 2.882 ppm2 4.005 CV 1 ASSI { 1934} (( segid " " and resid 2400 and name HA )) (( segid " " and resid 2403 and name H )) 3.000 1.100 1.100 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.19373E-02 ppm1 3.971 ppm2 8.687 CV 1 ASSI { 1935} (( segid " " and resid 2400 and name HA )) (( segid " " and resid 2400 and name H )) 2.400 0.700 0.700 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.65768E-02 ppm1 3.969 ppm2 8.425 CV 1 ASSI { 1936} (( segid " " and resid 2400 and name HA )) (( segid " " and resid 2399 and name H )) 4.200 2.200 1.800 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.86670E-03 ppm1 3.969 ppm2 8.105 CV 1 ASSI { 1937} (( segid " " and resid 2400 and name HA )) (( segid " " and resid 2431 and name HA )) 3.500 1.500 1.500 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.13664E-02 ppm1 3.970 ppm2 3.598 CV 1 ASSI { 1938} (( segid " " and resid 2400 and name HA )) (( segid " " and resid 2400 and name HB )) 2.700 0.900 0.900 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.24268E-02 ppm1 3.969 ppm2 2.294 CV 1 ASSI { 1939} (( segid " " and resid 2400 and name HA )) ( segid " " and resid 2403 and name HB% ) 2.800 1.000 1.000 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.29162E-02 ppm1 3.970 ppm2 1.594 CV 1 ASSI { 1941} (( segid " " and resid 2400 and name HB )) (( segid " " and resid 2400 and name H )) 2.800 1.000 1.000 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.49352E-02 ppm1 2.290 ppm2 8.417 CV 1 ASSI { 1942} (( segid " " and resid 2400 and name HB )) (( segid " " and resid 2401 and name H )) 3.000 1.100 1.100 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.41500E-02 ppm1 2.291 ppm2 8.365 CV 1 ASSI { 1943} ( segid " " and resid 2400 and name HG1%) (( segid " " and resid 2400 and name H )) 2.300 0.700 0.700 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.62913E-02 ppm1 1.070 ppm2 8.419 CV 1 ASSI { 1944} ( segid " " and resid 2400 and name HG1%) (( segid " " and resid 2438 and name H )) 3.300 1.400 1.400 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.17232E-02 ppm1 1.070 ppm2 8.007 CV 1 ASSI { 1945} ( segid " " and resid 2400 and name HG1%) (( segid " " and resid 2400 and name HA )) 2.400 0.700 0.700 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.91157E-02 ppm1 1.070 ppm2 3.970 CV 1 ASSI { 1946} ( segid " " and resid 2400 and name HG1%) (( segid " " and resid 2435 and name HA )) 2.500 0.800 0.800 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.43539E-02 ppm1 1.070 ppm2 3.803 CV 1 ASSI { 1947} ( segid " " and resid 2400 and name HG1%) (( segid " " and resid 2434 and name HA )) 3.300 1.300 1.300 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.15601E-02 ppm1 1.072 ppm2 4.332 CV 1 ASSI { 1948} ( segid " " and resid 2400 and name HG1%) (( segid " " and resid 2400 and name HB )) 2.200 0.600 0.600 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.76067E-02 ppm1 1.070 ppm2 2.293 CV 1 ASSI { 1949} ( segid " " and resid 2400 and name HG1%) (( segid " " and resid 2438 and name HB2 )) 2.600 0.800 0.800 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.20903E-02 ppm1 1.070 ppm2 2.155 CV 1 ASSI { 1952} ( segid " " and resid 2400 and name HG1%) ( segid " " and resid 2404 and name HG2%) 4.000 2.000 2.000 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 1.069 ppm2 1.374 CV 1 ASSI { 1955} ( segid " " and resid 2400 and name HG2%) ( segid " " and resid 2435 and name HG2%) 3.300 1.300 1.300 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.13562E-02 ppm1 0.933 ppm2 1.296 CV 1 ASSI { 1958} ( segid " " and resid 2431 and name HG1%) ( segid " " and resid 2403 and name HB% ) 3.800 1.800 1.800 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.11114E-02 ppm1 0.915 ppm2 1.593 CV 1 ASSI { 1959} ( segid " " and resid 2400 and name HG2%) (( segid " " and resid 2400 and name HB )) 2.300 0.700 0.700 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.61179E-02 ppm1 0.935 ppm2 2.292 CV 1 ASSI { 1960} ( segid " " and resid 2400 and name HG2%) (( segid " " and resid 2400 and name HA )) 2.800 1.000 1.000 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.54755E-02 ppm1 0.936 ppm2 3.973 CV 1 ASSI { 1962} ( segid " " and resid 2431 and name HG1%) (( segid " " and resid 2432 and name H )) 3.100 1.200 1.200 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.27837E-02 ppm1 0.913 ppm2 8.014 CV 1 ASSI { 1964} ( segid " " and resid 2400 and name HG2%) (( segid " " and resid 2435 and name H )) 4.200 2.200 1.800 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.88713E-03 ppm1 0.937 ppm2 8.150 CV 1 ASSI { 1966} ( segid " " and resid 2400 and name HG2%) (( segid " " and resid 2400 and name H )) 3.100 1.200 1.200 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.20189E-02 ppm1 0.936 ppm2 8.438 CV 1 ASSI { 1967} ( segid " " and resid 2400 and name HG2%) (( segid " " and resid 2401 and name H )) 2.800 1.000 1.000 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.22024E-02 ppm1 0.936 ppm2 8.365 CV 1 ASSI { 1969} (( segid " " and resid 2401 and name HA )) (( segid " " and resid 2401 and name H )) 2.400 0.700 0.700 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.72296E-02 ppm1 4.055 ppm2 8.355 CV 1 ASSI { 1970} (( segid " " and resid 2432 and name HA )) (( segid " " and resid 2435 and name HB )) 2.400 0.700 0.700 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.65156E-02 ppm1 4.027 ppm2 4.410 CV 1 ASSI { 1976} (( segid " " and resid 2435 and name HA )) (( segid " " and resid 2435 and name H )) 2.700 0.900 0.900 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.29876E-02 ppm1 3.799 ppm2 8.144 CV 1 ASSI { 1979} (( segid " " and resid 2435 and name HA )) (( segid " " and resid 2436 and name HA )) 2.900 2.900 3.100 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.30488E-02 ppm1 3.800 ppm2 4.188 CV 1 ASSI { 1981} (( segid " " and resid 2435 and name HA )) (( segid " " and resid 2400 and name HB )) 3.400 1.400 1.400 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.49963E-03 ppm1 3.809 ppm2 2.295 CV 1 ASSI { 1993} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2435 and name H )) 3.500 1.500 1.500 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 1.372 ppm2 8.151 CV 1 ASSI { 1994} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2432 and name H )) 4.600 2.600 1.400 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.11522E-02 ppm1 1.372 ppm2 8.003 CV 1 ASSI { 1995} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2436 and name H )) 4.100 2.100 1.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.13562E-02 ppm1 1.372 ppm2 7.823 CV 1 ASSI { 1997} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2404 and name HB )) 2.900 1.000 1.000 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 1.370 ppm2 4.418 CV 1 ASSI { 1999} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2404 and name HA )) 3.000 1.100 1.100 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.19883E-02 ppm1 1.372 ppm2 3.802 CV 1 ASSI { 2000} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2352 and name HA )) 4.000 2.000 2.000 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.17436E-02 ppm1 1.374 ppm2 3.709 CV 1 ASSI { 2001} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2463 and name HB )) 3.700 1.700 1.700 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 1.374 ppm2 2.429 CV 1 ASSI { 2002} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2359 and name HB3 )) 3.700 1.700 1.700 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 1.370 ppm2 1.653 CV 1 OR { 2002} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2359 and name HG )) ASSI { 2004} ( segid " " and resid 2404 and name HG2%) ( segid " " and resid 2463 and name HG1%) 3.300 1.300 1.300 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.24574E-02 ppm1 1.372 ppm2 1.000 CV 1 ASSI { 2005} ( segid " " and resid 2404 and name HG2%) ( segid " " and resid 2431 and name HG1%) 3.300 3.300 2.700 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.71379E-03 ppm1 1.372 ppm2 0.924 CV 1 ASSI { 2007} (( segid " " and resid 2407 and name HA )) ( segid " " and resid 2410 and name HB% ) 2.700 0.900 0.900 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.30998E-02 ppm1 4.352 ppm2 1.565 CV 1 ASSI { 2008} (( segid " " and resid 2405 and name HA )) ( segid " " and resid 2319 and name HB% ) 2.800 1.000 1.000 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.33241E-02 ppm1 4.368 ppm2 1.695 CV 1 ASSI { 2009} (( segid " " and resid 2407 and name HA )) (( segid " " and resid 2407 and name HB3 )) 2.700 0.900 0.900 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.53940E-02 ppm1 4.351 ppm2 2.288 CV 1 ASSI { 2010} (( segid " " and resid 2405 and name HA )) (( segid " " and resid 2408 and name HB3 )) 2.600 0.900 0.900 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.49963E-02 ppm1 4.367 ppm2 3.209 CV 1 ASSI { 2013} (( segid " " and resid 2405 and name HA )) (( segid " " and resid 2408 and name H )) 2.700 0.900 0.900 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.42622E-02 ppm1 4.369 ppm2 8.554 CV 1 ASSI { 2014} (( segid " " and resid 2405 and name HA )) (( segid " " and resid 2405 and name H )) 2.400 0.700 0.700 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.90749E-02 ppm1 4.369 ppm2 8.458 CV 1 ASSI { 2016} (( segid " " and resid 2405 and name HB2 )) (( segid " " and resid 2405 and name H )) 2.100 0.600 0.600 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.15213E-01 ppm1 2.941 ppm2 8.458 CV 1 ASSI { 2017} (( segid " " and resid 2405 and name HB2 )) (( segid " " and resid 2406 and name H )) 3.000 1.200 1.200 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.84734E-02 ppm1 2.941 ppm2 8.299 CV 1 ASSI { 2018} (( segid " " and resid 2405 and name HB2 )) (( segid " " and resid 2405 and name HD22)) 3.500 1.500 1.500 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.24675E-02 ppm1 2.940 ppm2 7.482 CV 1 ASSI { 2019} (( segid " " and resid 2405 and name HB2 )) (( segid " " and resid 2405 and name HD21)) 2.800 1.000 1.000 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.21413E-02 ppm1 2.940 ppm2 6.741 CV 1 ASSI { 2020} (( segid " " and resid 2405 and name HB2 )) (( segid " " and resid 2405 and name HA )) 2.200 0.600 0.600 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.11737E-01 ppm1 2.941 ppm2 4.372 CV 1 ASSI { 2021} (( segid " " and resid 2405 and name HB2 )) (( segid " " and resid 2402 and name HA )) 2.500 0.800 0.800 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.81981E-02 ppm1 2.943 ppm2 4.254 CV 1 ASSI { 2024} (( segid " " and resid 2405 and name HB3 )) ( segid " " and resid 2319 and name HB% ) 3.900 1.900 1.900 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 2.996 ppm2 1.682 CV 1 ASSI { 2026} (( segid " " and resid 2405 and name HB3 )) (( segid " " and resid 2405 and name HA )) 2.400 0.700 0.700 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.13337E-01 ppm1 2.997 ppm2 4.372 CV 1 ASSI { 2027} (( segid " " and resid 2405 and name HB3 )) (( segid " " and resid 2402 and name HA )) 2.300 0.600 0.600 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.88606E-02 ppm1 2.996 ppm2 4.253 CV 1 ASSI { 2028} (( segid " " and resid 2405 and name HB3 )) (( segid " " and resid 2406 and name HA )) 3.100 1.200 1.200 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.24268E-02 ppm1 2.997 ppm2 4.538 CV 1 ASSI { 2029} (( segid " " and resid 2405 and name HB2 )) (( segid " " and resid 2406 and name HA )) 3.800 1.800 1.800 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.21413E-02 ppm1 2.944 ppm2 4.540 CV 1 ASSI { 2030} (( segid " " and resid 2405 and name HB3 )) (( segid " " and resid 2405 and name HD21)) 2.900 1.000 1.000 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.23758E-02 ppm1 3.000 ppm2 6.737 CV 1 ASSI { 2031} (( segid " " and resid 2405 and name HB3 )) (( segid " " and resid 2405 and name HD22)) 3.400 1.400 1.400 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.31507E-02 ppm1 2.996 ppm2 7.482 CV 1 ASSI { 2032} (( segid " " and resid 2405 and name HB3 )) (( segid " " and resid 2406 and name H )) 2.200 0.600 0.600 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.91566E-02 ppm1 2.997 ppm2 8.300 CV 1 ASSI { 2033} (( segid " " and resid 2405 and name HB3 )) (( segid " " and resid 2405 and name H )) 2.100 0.500 0.500 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.17477E-01 ppm1 2.997 ppm2 8.459 CV 1 ASSI { 2035} (( segid " " and resid 2406 and name HA )) (( segid " " and resid 2405 and name H )) 3.500 1.500 1.500 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.30386E-02 ppm1 4.546 ppm2 8.463 CV 1 ASSI { 2036} (( segid " " and resid 2406 and name HA )) (( segid " " and resid 2406 and name HB2 )) 2.600 0.800 0.800 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.90139E-02 ppm1 4.540 ppm2 3.078 CV 1 ASSI { 2037} (( segid " " and resid 2406 and name HA )) (( segid " " and resid 2406 and name HB3 )) 2.200 0.600 0.600 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.11094E-01 ppm1 4.538 ppm2 2.971 CV 1 ASSI { 2038} (( segid " " and resid 2406 and name HA )) (( segid " " and resid 2409 and name HB2 )) 2.100 0.600 0.600 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.10615E-01 ppm1 4.537 ppm2 2.219 CV 1 ASSI { 2040} (( segid " " and resid 2469 and name HB2 )) ( segid " " and resid 2348 and name HB% ) 4.200 2.200 1.800 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.13664E-02 ppm1 2.944 ppm2 1.615 CV 1 ASSI { 2046} (( segid " " and resid 2461 and name HB2 )) (( segid " " and resid 2461 and name H )) 2.200 0.600 0.600 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.73415E-02 ppm1 2.952 ppm2 8.508 CV 1 ASSI { 2048} (( segid " " and resid 2461 and name HB3 )) (( segid " " and resid 2461 and name H )) 2.700 0.900 0.900 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.97480E-02 ppm1 3.081 ppm2 8.509 CV 1 ASSI { 2049} (( segid " " and resid 2461 and name HB3 )) (( segid " " and resid 2462 and name H )) 2.500 0.800 0.800 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.50983E-02 ppm1 3.082 ppm2 7.981 CV 1 ASSI { 2050} (( segid " " and resid 2406 and name HB2 )) (( segid " " and resid 2406 and name HD22)) 3.500 1.500 1.500 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.25696E-02 ppm1 3.080 ppm2 7.870 CV 1 ASSI { 2059} (( segid " " and resid 2407 and name HB3 )) (( segid " " and resid 2407 and name HG )) 2.500 0.800 0.800 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.37320E-02 ppm1 2.292 ppm2 1.809 CV 1 ASSI { 2060} (( segid " " and resid 2407 and name HB3 )) (( segid " " and resid 2407 and name HB2 )) 1.900 0.500 0.500 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.73214E-02 ppm1 2.289 ppm2 1.717 CV 1 ASSI { 2061} (( segid " " and resid 2407 and name HB3 )) (( segid " " and resid 2404 and name HA )) 2.600 0.900 0.900 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.30590E-02 ppm1 2.290 ppm2 3.805 CV 1 ASSI { 2064} (( segid " " and resid 2407 and name HB3 )) (( segid " " and resid 2407 and name H )) 2.400 0.700 0.700 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.53124E-02 ppm1 2.292 ppm2 8.306 CV 1 ASSI { 2066} (( segid " " and resid 2407 and name HB2 )) (( segid " " and resid 2408 and name H )) 3.700 1.700 1.700 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 1.720 ppm2 8.550 CV 1 ASSI { 2067} (( segid " " and resid 2407 and name HB2 )) (( segid " " and resid 2407 and name H )) 2.500 0.800 0.800 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.49861E-02 ppm1 1.720 ppm2 8.304 CV 1 ASSI { 2069} (( segid " " and resid 2407 and name HB2 )) (( segid " " and resid 2404 and name HA )) 3.200 1.200 1.200 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.22229E-02 ppm1 1.712 ppm2 3.809 CV 1 ASSI { 2070} (( segid " " and resid 2439 and name HB3 )) (( segid " " and resid 2439 and name HA )) 2.400 0.700 0.700 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.53124E-02 ppm1 1.683 ppm2 3.969 CV 1 ASSI { 2073} (( segid " " and resid 2407 and name HB2 )) ( segid " " and resid 2407 and name HD2%) 3.300 1.300 1.300 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.95846E-03 ppm1 1.719 ppm2 1.071 CV 1 OR { 2073} (( segid " " and resid 2407 and name HB2 )) ( segid " " and resid 2407 and name HD1%) ASSI { 2074} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2411 and name H )) 3.700 1.700 1.700 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.66278E-03 ppm1 1.089 ppm2 8.871 CV 1 ASSI { 2075} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2408 and name H )) 3.800 1.800 1.800 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 1.090 ppm2 8.550 CV 1 ASSI { 2076} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2352 and name H )) 2.800 2.800 3.200 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 1.086 ppm2 8.477 CV 1 ASSI { 2077} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2407 and name H )) 3.700 1.700 1.700 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.23860E-02 ppm1 1.089 ppm2 8.313 CV 1 ASSI { 2080} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2407 and name HB3 )) 3.200 1.300 1.300 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.33649E-02 ppm1 1.086 ppm2 2.294 CV 1 ASSI { 2081} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2352 and name HB )) 3.200 1.300 1.300 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.33241E-02 ppm1 1.086 ppm2 2.116 CV 1 ASSI { 2083} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2407 and name HB2 )) 2.700 0.900 0.900 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.33853E-02 ppm1 1.088 ppm2 1.698 CV 1 ASSI { 2084} ( segid " " and resid 2470 and name HD1%) ( segid " " and resid 2428 and name HB% ) 3.900 1.900 1.900 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.16008E-02 ppm1 1.073 ppm2 1.663 CV 1 ASSI { 2085} ( segid " " and resid 2407 and name HD1%) ( segid " " and resid 2349 and name HB% ) 3.300 1.400 1.400 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.17232E-02 ppm1 1.088 ppm2 1.483 CV 1 ASSI { 2086} ( segid " " and resid 2407 and name HD1%) ( segid " " and resid 2411 and name HB% ) 3.500 1.500 1.500 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 1.087 ppm2 1.386 CV 1 ASSI { 2087} ( segid " " and resid 2407 and name HD2%) (( segid " " and resid 2407 and name HG )) 2.400 0.700 0.700 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.60976E-02 ppm1 1.043 ppm2 1.798 CV 1 ASSI { 2088} ( segid " " and resid 2407 and name HD2%) (( segid " " and resid 2428 and name HA )) 2.300 0.700 0.700 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.89630E-02 ppm1 1.053 ppm2 4.056 CV 1 ASSI { 2089} ( segid " " and resid 2407 and name HD2%) (( segid " " and resid 2407 and name HA )) 3.000 1.200 1.200 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.56693E-02 ppm1 1.054 ppm2 4.354 CV 1 ASSI { 2091} (( segid " " and resid 2408 and name HA )) (( segid " " and resid 2411 and name H )) 2.800 1.000 1.000 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.29672E-02 ppm1 4.069 ppm2 8.877 CV 1 ASSI { 2092} (( segid " " and resid 2408 and name HA )) (( segid " " and resid 2408 and name H )) 2.500 0.800 0.800 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.54042E-02 ppm1 4.069 ppm2 8.554 CV 1 ASSI { 2093} (( segid " " and resid 2408 and name HA )) (( segid " " and resid 2409 and name H )) 2.800 1.000 1.000 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.32731E-02 ppm1 4.067 ppm2 8.311 CV 1 ASSI { 2096} (( segid " " and resid 2408 and name HB2 )) ( segid " " and resid 2323 and name HD2%) 3.800 1.800 1.800 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.48944E-03 ppm1 3.007 ppm2 0.942 CV 1 OR { 2096} (( segid " " and resid 2408 and name HB2 )) ( segid " " and resid 2323 and name HD1%) ASSI { 2097} (( segid " " and resid 2408 and name HB2 )) ( segid " " and resid 2319 and name HB% ) 3.200 1.300 1.300 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.10400E-02 ppm1 3.004 ppm2 1.694 CV 1 ASSI { 2099} (( segid " " and resid 2408 and name HB2 )) (( segid " " and resid 2323 and name HG )) 3.700 1.700 1.700 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.93810E-03 ppm1 3.009 ppm2 1.957 CV 1 ASSI { 2100} (( segid " " and resid 2408 and name HB2 )) (( segid " " and resid 2408 and name HB3 )) 1.800 0.400 0.400 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.14255E-01 ppm1 3.003 ppm2 3.206 CV 1 ASSI { 2101} (( segid " " and resid 2408 and name HB2 )) (( segid " " and resid 2405 and name HA )) 2.900 1.100 1.100 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.26613E-02 ppm1 3.002 ppm2 4.370 CV 1 ASSI { 2103} (( segid " " and resid 2408 and name HB2 )) (( segid " " and resid 2408 and name HA )) 2.400 0.700 0.700 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.60670E-02 ppm1 3.003 ppm2 4.068 CV 1 ASSI { 2104} (( segid " " and resid 2408 and name HB2 )) (( segid " " and resid 2408 and name H )) 2.600 0.900 0.900 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.39155E-02 ppm1 3.001 ppm2 8.554 CV 1 ASSI { 2105} (( segid " " and resid 2408 and name HB2 )) (( segid " " and resid 2409 and name H )) 3.200 1.300 1.300 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.28040E-02 ppm1 3.004 ppm2 8.311 CV 1 ASSI { 2106} (( segid " " and resid 2408 and name HB3 )) (( segid " " and resid 2409 and name H )) 2.600 0.900 0.900 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.35790E-02 ppm1 3.207 ppm2 8.313 CV 1 ASSI { 2107} (( segid " " and resid 2408 and name HB3 )) (( segid " " and resid 2408 and name H )) 2.500 0.800 0.800 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.53838E-02 ppm1 3.206 ppm2 8.554 CV 1 ASSI { 2110} (( segid " " and resid 2408 and name HB3 )) (( segid " " and resid 2408 and name HA )) 2.700 0.900 0.900 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.50473E-02 ppm1 3.207 ppm2 4.069 CV 1 ASSI { 2112} (( segid " " and resid 2408 and name HB3 )) ( segid " " and resid 2323 and name HD2%) 4.400 2.400 1.600 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.38747E-03 ppm1 3.205 ppm2 0.946 CV 1 OR { 2112} (( segid " " and resid 2408 and name HB3 )) ( segid " " and resid 2323 and name HD1%) ASSI { 2113} (( segid " " and resid 2408 and name HB3 )) ( segid " " and resid 2319 and name HB% ) 3.400 1.400 1.400 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.13051E-02 ppm1 3.207 ppm2 1.693 CV 1 ASSI { 2114} (( segid " " and resid 2465 and name HA )) (( segid " " and resid 2465 and name HG3 )) 2.200 0.600 0.600 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.13174E-01 ppm1 4.214 ppm2 1.728 CV 1 ASSI { 2115} (( segid " " and resid 2455 and name HA )) ( segid " " and resid 2458 and name HB% ) 2.500 0.800 0.800 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.61791E-02 ppm1 4.214 ppm2 1.633 CV 1 ASSI { 2119} (( segid " " and resid 2409 and name HA )) (( segid " " and resid 2412 and name HB3 )) 2.400 0.700 0.700 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.51696E-02 ppm1 4.212 ppm2 2.834 CV 1 ASSI { 2121} (( segid " " and resid 2409 and name HA )) (( segid " " and resid 2409 and name H )) 2.300 0.700 0.700 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.95953E-02 ppm1 4.212 ppm2 8.312 CV 1 ASSI { 2122} (( segid " " and resid 2455 and name HA )) (( segid " " and resid 2455 and name H )) 2.100 0.600 0.600 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.14734E-01 ppm1 4.211 ppm2 8.184 CV 1 ASSI { 2125} (( segid " " and resid 2409 and name HB3 )) (( segid " " and resid 2409 and name HG2 )) 2.300 0.700 0.700 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.10798E-01 ppm1 2.222 ppm2 2.379 CV 1 OR { 2125} (( segid " " and resid 2409 and name HB2 )) (( segid " " and resid 2409 and name HG2 )) ASSI { 2126} ( segid " " and resid 2411 and name HB% ) (( segid " " and resid 2411 and name H )) 2.400 0.700 0.700 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.73823E-02 ppm1 1.378 ppm2 8.876 CV 1 ASSI { 2127} ( segid " " and resid 2411 and name HB% ) (( segid " " and resid 2412 and name H )) 2.700 0.900 0.900 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.36707E-02 ppm1 1.379 ppm2 8.179 CV 1 ASSI { 2128} ( segid " " and resid 2411 and name HB% ) (( segid " " and resid 2411 and name HA )) 2.600 0.800 0.800 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.45783E-02 ppm1 1.378 ppm2 4.017 CV 1 ASSI { 2130} ( segid " " and resid 2411 and name HB% ) ( segid " " and resid 2323 and name HD1%) 2.800 1.000 1.000 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.15907E-02 ppm1 1.378 ppm2 0.926 CV 1 ASSI { 2132} ( segid " " and resid 2411 and name HB% ) ( segid " " and resid 2349 and name HB% ) 2.900 1.000 1.000 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.26205E-02 ppm1 1.379 ppm2 1.478 CV 1 ASSI { 2133} ( segid " " and resid 2411 and name HB% ) ( segid " " and resid 2414 and name HB% ) 3.800 1.800 1.800 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 1.379 ppm2 1.664 CV 1 ASSI { 2138} (( segid " " and resid 2412 and name HA )) (( segid " " and resid 2412 and name HB2 )) 2.400 0.700 0.700 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.56081E-02 ppm1 4.312 ppm2 3.028 CV 1 ASSI { 2139} (( segid " " and resid 2412 and name HA )) (( segid " " and resid 2412 and name HB3 )) 2.600 0.800 0.800 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.90039E-02 ppm1 4.312 ppm2 2.830 CV 1 ASSI { 2142} (( segid " " and resid 2412 and name HB2 )) (( segid " " and resid 2412 and name H )) 2.300 0.600 0.600 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.97072E-02 ppm1 3.026 ppm2 8.179 CV 1 ASSI { 2143} (( segid " " and resid 2412 and name HB2 )) (( segid " " and resid 2413 and name H )) 3.200 1.200 1.200 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.69845E-02 ppm1 3.025 ppm2 7.913 CV 1 ASSI { 2146} (( segid " " and resid 2412 and name HB2 )) ( segid " " and resid 2326 and name HD1%) 3.700 1.700 1.700 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.48944E-03 ppm1 3.021 ppm2 1.019 CV 1 ASSI { 2148} (( segid " " and resid 2412 and name HB2 )) ( segid " " and resid 2413 and name HB% ) 5.000 3.100 1.000 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.68318E-03 ppm1 3.016 ppm2 1.593 CV 1 ASSI { 2149} (( segid " " and resid 2412 and name HB3 )) ( segid " " and resid 2326 and name HD1%) 4.500 2.600 1.500 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 2.832 ppm2 1.020 CV 1 ASSI { 2150} (( segid " " and resid 2412 and name HB3 )) ( segid " " and resid 2326 and name HD2%) 4.300 2.300 1.700 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.53022E-03 ppm1 2.831 ppm2 0.942 CV 1 ASSI { 2151} (( segid " " and resid 2412 and name HB3 )) ( segid " " and resid 2411 and name HB% ) 3.400 1.400 1.400 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.46904E-03 ppm1 2.833 ppm2 1.377 CV 1 ASSI { 2156} (( segid " " and resid 2412 and name HB3 )) (( segid " " and resid 2412 and name HD21)) 3.100 1.200 1.200 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.18048E-02 ppm1 2.833 ppm2 6.708 CV 1 ASSI { 2157} (( segid " " and resid 2412 and name HB3 )) (( segid " " and resid 2412 and name HD22)) 3.600 1.700 1.700 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.19883E-02 ppm1 2.829 ppm2 7.621 CV 1 ASSI { 2158} (( segid " " and resid 2412 and name HB3 )) (( segid " " and resid 2412 and name H )) 2.200 0.600 0.600 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.10462E-01 ppm1 2.832 ppm2 8.179 CV 1 ASSI { 2159} (( segid " " and resid 2412 and name HB3 )) (( segid " " and resid 2413 and name H )) 2.400 0.700 0.700 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.46904E-02 ppm1 2.832 ppm2 7.910 CV 1 ASSI { 2160} (( segid " " and resid 2412 and name HB3 )) (( segid " " and resid 2411 and name H )) 4.000 2.000 2.000 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.12746E-02 ppm1 2.838 ppm2 8.872 CV 1 ASSI { 2161} (( segid " " and resid 2415 and name HA )) (( segid " " and resid 2415 and name H )) 2.300 0.700 0.700 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.88505E-02 ppm1 3.965 ppm2 8.152 CV 1 ASSI { 2162} (( segid " " and resid 2415 and name HA )) (( segid " " and resid 2416 and name H )) 2.700 0.900 0.900 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.44049E-02 ppm1 3.965 ppm2 7.682 CV 1 ASSI { 2165} (( segid " " and resid 2415 and name HA )) (( segid " " and resid 2342 and name HB3 )) 3.100 1.200 1.200 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.14071E-02 ppm1 3.961 ppm2 1.964 CV 1 OR { 2165} (( segid " " and resid 2415 and name HA )) (( segid " " and resid 2342 and name HB2 )) ASSI { 2166} (( segid " " and resid 2415 and name HA )) ( segid " " and resid 2414 and name HB% ) 3.800 1.800 1.800 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.74433E-03 ppm1 3.971 ppm2 1.665 CV 1 ASSI { 2169} (( segid " " and resid 2415 and name HB )) (( segid " " and resid 2415 and name HA )) 2.600 0.800 0.800 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.53022E-02 ppm1 2.410 ppm2 3.968 CV 1 ASSI { 2170} (( segid " " and resid 2415 and name HB )) (( segid " " and resid 2412 and name HA )) 2.800 1.000 1.000 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.28653E-02 ppm1 2.409 ppm2 4.318 CV 1 ASSI { 2171} (( segid " " and resid 2415 and name HB )) (( segid " " and resid 2416 and name H )) 2.800 1.000 1.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.28142E-02 ppm1 2.416 ppm2 7.683 CV 1 ASSI { 2172} (( segid " " and resid 2431 and name HB )) (( segid " " and resid 2432 and name H )) 2.300 0.700 0.700 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.53532E-02 ppm1 2.381 ppm2 8.017 CV 1 ASSI { 2173} (( segid " " and resid 2415 and name HB )) (( segid " " and resid 2415 and name H )) 2.400 0.700 0.700 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.73924E-02 ppm1 2.412 ppm2 8.154 CV 1 ASSI { 2174} ( segid " " and resid 2415 and name HG2%) (( segid " " and resid 2415 and name H )) 2.300 0.700 0.700 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.87996E-02 ppm1 1.190 ppm2 8.151 CV 1 ASSI { 2175} ( segid " " and resid 2440 and name HG1%) (( segid " " and resid 2440 and name H )) 2.800 0.900 0.900 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.87688E-02 ppm1 1.181 ppm2 7.985 CV 1 ASSI { 2176} ( segid " " and resid 2415 and name HG2%) (( segid " " and resid 2412 and name HA )) 2.700 0.900 0.900 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.37218E-02 ppm1 1.187 ppm2 4.313 CV 1 ASSI { 2177} ( segid " " and resid 2440 and name HG1%) (( segid " " and resid 2437 and name HA )) 3.000 1.100 1.100 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.43234E-02 ppm1 1.178 ppm2 4.152 CV 1 ASSI { 2178} ( segid " " and resid 2415 and name HG2%) (( segid " " and resid 2415 and name HA )) 2.400 0.700 0.700 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.76677E-02 ppm1 1.189 ppm2 3.969 CV 1 ASSI { 2179} ( segid " " and resid 2440 and name HG1%) (( segid " " and resid 2440 and name HA )) 2.400 0.700 0.700 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.88813E-02 ppm1 1.178 ppm2 3.696 CV 1 ASSI { 2180} ( segid " " and resid 2415 and name HG2%) (( segid " " and resid 2415 and name HB )) 2.300 0.600 0.600 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.96254E-02 ppm1 1.189 ppm2 2.412 CV 1 ASSI { 2181} ( segid " " and resid 2440 and name HG1%) (( segid " " and resid 2440 and name HB )) 2.200 0.600 0.600 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.11247E-01 ppm1 1.180 ppm2 2.242 CV 1 ASSI { 2185} ( segid " " and resid 2440 and name HG1%) (( segid " " and resid 2439 and name HB2 )) 3.500 1.500 1.500 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.29774E-02 ppm1 1.181 ppm2 2.032 CV 1 ASSI { 2186} ( segid " " and resid 2415 and name HG2%) (( segid " " and resid 2346 and name HB2 )) 2.900 1.100 1.100 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.15091E-02 ppm1 1.191 ppm2 1.783 CV 1 ASSI { 2187} ( segid " " and resid 2415 and name HG1%) ( segid " " and resid 2415 and name HG2%) 2.600 0.900 0.900 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.50065E-02 ppm1 1.078 ppm2 1.182 CV 1 ASSI { 2188} ( segid " " and resid 2415 and name HG1%) (( segid " " and resid 2326 and name HB2 )) 3.600 1.600 1.600 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 1.067 ppm2 1.499 CV 1 ASSI { 2189} ( segid " " and resid 2415 and name HG1%) (( segid " " and resid 2346 and name HB2 )) 3.200 1.300 1.300 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.11726E-02 ppm1 1.080 ppm2 1.789 CV 1 ASSI { 2190} ( segid " " and resid 2415 and name HG1%) (( segid " " and resid 2342 and name HB3 )) 3.200 1.300 1.300 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.18762E-02 ppm1 1.078 ppm2 1.939 CV 1 ASSI { 2191} ( segid " " and resid 2415 and name HG1%) (( segid " " and resid 2415 and name HB )) 2.300 0.700 0.700 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.92075E-02 ppm1 1.078 ppm2 2.413 CV 1 ASSI { 2192} ( segid " " and resid 2415 and name HG1%) (( segid " " and resid 2415 and name H )) 3.200 1.300 1.300 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.36810E-02 ppm1 1.076 ppm2 8.154 CV 1 ASSI { 2193} ( segid " " and resid 2415 and name HG1%) (( segid " " and resid 2416 and name H )) 3.300 1.300 1.300 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.21617E-02 ppm1 1.079 ppm2 7.681 CV 1 ASSI { 2194} (( segid " " and resid 2416 and name HA )) (( segid " " and resid 2416 and name HB3 )) 2.300 0.700 0.700 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.83408E-02 ppm1 4.454 ppm2 2.078 CV 1 ASSI { 2195} (( segid " " and resid 2416 and name HA )) (( segid " " and resid 2416 and name HB2 )) 2.300 0.700 0.700 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.16305E-01 ppm1 4.457 ppm2 2.432 CV 1 ASSI { 2197} (( segid " " and resid 2416 and name HA )) (( segid " " and resid 2416 and name H )) 2.400 0.700 0.700 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.94111E-02 ppm1 4.460 ppm2 7.683 CV 1 ASSI { 2198} (( segid " " and resid 2416 and name HB2 )) (( segid " " and resid 2416 and name H )) 2.600 0.800 0.800 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.29468E-02 ppm1 2.411 ppm2 7.685 CV 1 ASSI { 2201} (( segid " " and resid 2416 and name HB2 )) (( segid " " and resid 2416 and name HB3 )) 1.800 0.400 0.400 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.13572E-01 ppm1 2.412 ppm2 2.075 CV 1 ASSI { 2206} (( segid " " and resid 2416 and name HB3 )) (( segid " " and resid 2416 and name H )) 3.400 1.400 1.400 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.41806E-02 ppm1 2.078 ppm2 7.681 CV 1 ASSI { 2207} (( segid " " and resid 2422 and name HB2 )) (( segid " " and resid 2423 and name H )) 2.700 0.900 0.900 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.30590E-02 ppm1 2.053 ppm2 7.932 CV 1 ASSI { 2208} (( segid " " and resid 2422 and name HB2 )) (( segid " " and resid 2422 and name H )) 2.400 0.700 0.700 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.61077E-02 ppm1 2.052 ppm2 8.764 CV 1 ASSI { 2209} (( segid " " and resid 2416 and name HG2 )) (( segid " " and resid 2415 and name H )) 3.100 1.200 1.200 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.26613E-02 ppm1 2.640 ppm2 8.155 CV 1 ASSI { 2210} (( segid " " and resid 2421 and name HG3 )) ( segid " " and resid 2474 and name HB% ) 3.400 1.500 1.500 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.84634E-03 ppm1 2.450 ppm2 1.570 CV 1 OR { 2210} (( segid " " and resid 2421 and name HG2 )) ( segid " " and resid 2474 and name HB% ) ASSI { 2213} (( segid " " and resid 2416 and name HG3 )) (( segid " " and resid 2416 and name H )) 3.700 1.700 1.700 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 2.455 ppm2 7.684 CV 1 ASSI { 2215} (( segid " " and resid 2417 and name HA2 )) (( segid " " and resid 2417 and name H )) 2.100 0.600 0.600 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.13602E-01 ppm1 4.205 ppm2 7.745 CV 1 ASSI { 2217} (( segid " " and resid 2417 and name HA3 )) (( segid " " and resid 2417 and name H )) 2.300 0.700 0.700 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.18292E-01 ppm1 4.000 ppm2 7.745 CV 1 ASSI { 2218} (( segid " " and resid 2417 and name HA3 )) (( segid " " and resid 2418 and name H )) 2.700 0.900 0.900 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.40685E-02 ppm1 4.003 ppm2 8.335 CV 1 ASSI { 2219} (( segid " " and resid 2418 and name HA )) (( segid " " and resid 2418 and name H )) 2.900 1.000 1.000 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.29774E-02 ppm1 5.036 ppm2 8.331 CV 1 ASSI { 2220} (( segid " " and resid 2418 and name HA )) (( segid " " and resid 2417 and name H )) 2.900 2.900 3.100 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 5.040 ppm2 7.754 CV 1 ASSI { 2221} (( segid " " and resid 2418 and name HA )) (( segid " " and resid 2417 and name HA2 )) 3.500 1.500 1.500 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.14581E-02 ppm1 5.037 ppm2 4.204 CV 1 ASSI { 2222} (( segid " " and resid 2418 and name HA )) (( segid " " and resid 2418 and name HB2 )) 2.200 0.600 0.600 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.10451E-01 ppm1 5.037 ppm2 3.336 CV 1 ASSI { 2223} (( segid " " and resid 2418 and name HA )) (( segid " " and resid 2418 and name HB3 )) 2.500 0.800 0.800 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.62505E-02 ppm1 5.038 ppm2 3.050 CV 1 ASSI { 2224} (( segid " " and resid 2418 and name HA )) ( segid " " and resid 2413 and name HB% ) 5.100 3.300 0.900 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.37728E-03 ppm1 5.042 ppm2 1.591 CV 1 ASSI { 2225} (( segid " " and resid 2418 and name HA )) ( segid " " and resid 2419 and name HB% ) 4.900 3.000 1.100 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.49963E-03 ppm1 5.049 ppm2 1.520 CV 1 ASSI { 2226} (( segid " " and resid 2418 and name HB3 )) ( segid " " and resid 2413 and name HB% ) 2.700 0.900 0.900 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.27939E-02 ppm1 3.051 ppm2 1.600 CV 1 ASSI { 2227} (( segid " " and resid 2418 and name HB3 )) (( segid " " and resid 2418 and name HB2 )) 1.500 0.300 0.700 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.43825E-01 ppm1 3.050 ppm2 3.336 CV 1 ASSI { 2230} (( segid " " and resid 2418 and name HB3 )) (( segid " " and resid 2418 and name H )) 3.000 1.100 1.100 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.31712E-02 ppm1 3.049 ppm2 8.333 CV 1 ASSI { 2231} (( segid " " and resid 2418 and name HB3 )) (( segid " " and resid 2413 and name H )) 4.500 2.600 1.500 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.93810E-03 ppm1 3.050 ppm2 7.931 CV 1 ASSI { 2233} (( segid " " and resid 2418 and name HB2 )) (( segid " " and resid 2418 and name H )) 2.800 1.000 1.000 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 3.342 ppm2 8.330 CV 1 ASSI { 2234} (( segid " " and resid 2418 and name HB2 )) (( segid " " and resid 2419 and name H )) 4.100 2.100 1.900 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.10808E-02 ppm1 3.346 ppm2 8.461 CV 1 ASSI { 2236} (( segid " " and resid 2418 and name HB2 )) (( segid " " and resid 2413 and name HA )) 3.700 1.700 1.700 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 3.338 ppm2 4.169 CV 1 ASSI { 2239} ( segid " " and resid 2419 and name HB% ) (( segid " " and resid 2420 and name H )) 3.400 1.500 1.500 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.27837E-02 ppm1 1.512 ppm2 8.354 CV 1 ASSI { 2241} (( segid " " and resid 2420 and name HA )) (( segid " " and resid 2422 and name HB2 )) 3.400 1.500 1.500 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.17232E-02 ppm1 4.873 ppm2 2.017 CV 1 ASSI { 2242} (( segid " " and resid 2420 and name HA )) ( segid " " and resid 2419 and name HB% ) 4.100 2.100 1.900 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.48944E-03 ppm1 4.862 ppm2 1.518 CV 1 ASSI { 2243} (( segid " " and resid 2420 and name HA )) (( segid " " and resid 2420 and name HB2 )) 2.400 0.700 0.700 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.75558E-02 ppm1 4.870 ppm2 4.108 CV 1 ASSI { 2244} (( segid " " and resid 2420 and name HA )) (( segid " " and resid 2420 and name HB3 )) 2.500 0.800 0.800 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.55775E-02 ppm1 4.868 ppm2 3.962 CV 1 ASSI { 2245} (( segid " " and resid 2420 and name HA )) (( segid " " and resid 2421 and name H )) 2.700 0.900 0.900 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.29672E-02 ppm1 4.870 ppm2 9.126 CV 1 ASSI { 2246} (( segid " " and resid 2420 and name HA )) (( segid " " and resid 2420 and name H )) 2.900 1.000 1.000 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.26409E-02 ppm1 4.869 ppm2 8.350 CV 1 ASSI { 2247} (( segid " " and resid 2420 and name HB2 )) (( segid " " and resid 2420 and name H )) 2.900 1.000 1.000 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.22432E-02 ppm1 4.104 ppm2 8.360 CV 1 ASSI { 2248} (( segid " " and resid 2420 and name HB2 )) (( segid " " and resid 2423 and name H )) 3.500 1.500 1.500 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.14581E-02 ppm1 4.108 ppm2 7.948 CV 1 ASSI { 2249} (( segid " " and resid 2420 and name HB2 )) (( segid " " and resid 2422 and name H )) 3.700 1.700 1.700 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.11318E-02 ppm1 4.109 ppm2 8.778 CV 1 ASSI { 2252} (( segid " " and resid 2420 and name HB2 )) (( segid " " and resid 2423 and name HB3 )) 3.800 1.800 1.800 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.10706E-02 ppm1 4.106 ppm2 2.018 CV 1 OR { 2252} (( segid " " and resid 2420 and name HB2 )) (( segid " " and resid 2423 and name HB2 )) ASSI { 2253} (( segid " " and resid 2420 and name HB3 )) (( segid " " and resid 2420 and name HB2 )) 1.700 0.300 0.500 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.25440E-01 ppm1 3.958 ppm2 4.107 CV 1 ASSI { 2256} (( segid " " and resid 2420 and name HB3 )) (( segid " " and resid 2420 and name H )) 3.000 1.100 1.100 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.30182E-02 ppm1 3.954 ppm2 8.351 CV 1 ASSI { 2257} (( segid " " and resid 2421 and name HA )) (( segid " " and resid 2421 and name H )) 3.200 1.300 1.300 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 3.992 ppm2 9.131 CV 1 ASSI { 2259} (( segid " " and resid 2421 and name HA )) (( segid " " and resid 2420 and name H )) 3.100 1.200 1.200 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.19781E-02 ppm1 3.992 ppm2 8.346 CV 1 ASSI { 2260} (( segid " " and resid 2421 and name HA )) (( segid " " and resid 2424 and name H )) 3.100 1.200 1.200 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.26817E-02 ppm1 3.992 ppm2 8.195 CV 1 ASSI { 2262} (( segid " " and resid 2421 and name HA )) (( segid " " and resid 2421 and name HB2 )) 2.400 0.700 0.700 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.82899E-02 ppm1 3.990 ppm2 2.118 CV 1 ASSI { 2263} (( segid " " and resid 2421 and name HA )) (( segid " " and resid 2424 and name HG )) 3.600 1.600 1.600 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.19680E-02 ppm1 3.995 ppm2 1.907 CV 1 ASSI { 2264} (( segid " " and resid 2421 and name HA )) ( segid " " and resid 2474 and name HB% ) 3.200 1.300 1.300 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.12848E-02 ppm1 3.991 ppm2 1.570 CV 1 ASSI { 2265} (( segid " " and resid 2421 and name HA )) (( segid " " and resid 2424 and name HB2 )) 3.600 1.600 1.600 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.27837E-02 ppm1 3.994 ppm2 1.490 CV 1 ASSI { 2266} (( segid " " and resid 2421 and name HA )) ( segid " " and resid 2477 and name HB% ) 4.300 2.300 1.700 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.45885E-03 ppm1 3.987 ppm2 1.293 CV 1 ASSI { 2269} (( segid " " and resid 2421 and name HB2 )) (( segid " " and resid 2422 and name H )) 3.000 1.100 1.100 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.20903E-02 ppm1 2.114 ppm2 8.762 CV 1 ASSI { 2270} (( segid " " and resid 2325 and name HB2 )) (( segid " " and resid 2326 and name H )) 3.300 1.400 1.400 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.13867E-02 ppm1 2.113 ppm2 7.406 CV 1 ASSI { 2273} (( segid " " and resid 2344 and name HB3 )) (( segid " " and resid 2345 and name HG12)) 3.900 1.900 1.900 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 2.128 ppm2 0.982 CV 1 ASSI { 2275} (( segid " " and resid 2422 and name HA )) (( segid " " and resid 2422 and name H )) 2.400 0.700 0.700 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.82490E-02 ppm1 4.101 ppm2 8.765 CV 1 ASSI { 2276} (( segid " " and resid 2422 and name HA )) (( segid " " and resid 2423 and name H )) 2.900 1.100 1.100 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.32221E-02 ppm1 4.100 ppm2 7.932 CV 1 ASSI { 2279} (( segid " " and resid 2398 and name HA )) (( segid " " and resid 2398 and name HG2 )) 3.500 1.500 1.500 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.21515E-02 ppm1 4.097 ppm2 1.745 CV 1 ASSI { 2281} (( segid " " and resid 2373 and name HB2 )) (( segid " " and resid 2373 and name HA )) 2.800 1.000 1.000 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.51391E-02 ppm1 2.176 ppm2 4.382 CV 1 ASSI { 2282} (( segid " " and resid 2443 and name HB3 )) (( segid " " and resid 2443 and name H )) 2.700 0.900 0.900 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.33241E-02 ppm1 2.025 ppm2 8.155 CV 1 OR { 2282} (( segid " " and resid 2443 and name HB2 )) (( segid " " and resid 2443 and name H )) ASSI { 2283} (( segid " " and resid 2423 and name HG2 )) (( segid " " and resid 2423 and name H )) 2.300 0.700 0.700 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.69436E-02 ppm1 1.675 ppm2 7.952 CV 1 ASSI { 2284} (( segid " " and resid 2472 and name HD2 )) (( segid " " and resid 2472 and name HA )) 2.700 0.900 0.900 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.76884E-02 ppm1 1.693 ppm2 4.146 CV 1 ASSI { 2286} (( segid " " and resid 2472 and name HD2 )) (( segid " " and resid 2472 and name HB3 )) 2.300 0.600 0.600 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.70461E-02 ppm1 1.680 ppm2 1.987 CV 1 OR { 2286} (( segid " " and resid 2472 and name HD2 )) (( segid " " and resid 2472 and name HB2 )) ASSI { 2290} (( segid " " and resid 2472 and name HD3 )) (( segid " " and resid 2472 and name HG3 )) 2.000 0.500 0.500 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.14693E-01 ppm1 1.580 ppm2 1.758 CV 1 OR { 2290} (( segid " " and resid 2472 and name HD3 )) (( segid " " and resid 2472 and name HG2 )) ASSI { 2292} (( segid " " and resid 2423 and name HG3 )) (( segid " " and resid 2423 and name H )) 2.700 0.900 0.900 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.50473E-02 ppm1 1.541 ppm2 7.953 CV 1 ASSI { 2294} (( segid " " and resid 2423 and name HE2 )) (( segid " " and resid 2423 and name HG2 )) 2.300 0.700 0.700 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.10941E-01 ppm1 3.079 ppm2 1.667 CV 1 OR { 2294} (( segid " " and resid 2423 and name HE3 )) (( segid " " and resid 2423 and name HG2 )) ASSI { 2295} (( segid " " and resid 2424 and name HB2 )) (( segid " " and resid 2420 and name H )) 2.900 1.100 1.100 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.15907E-02 ppm1 1.488 ppm2 8.349 CV 1 ASSI { 2298} (( segid " " and resid 2424 and name HB3 )) (( segid " " and resid 2424 and name HG )) 2.500 0.800 0.800 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.38135E-02 ppm1 2.067 ppm2 1.908 CV 1 ASSI { 2300} (( segid " " and resid 2456 and name HB3 )) (( segid " " and resid 2457 and name H )) 2.500 0.800 0.800 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.33241E-02 ppm1 2.048 ppm2 8.576 CV 1 ASSI { 2302} (( segid " " and resid 2424 and name HG )) (( segid " " and resid 2424 and name H )) 3.300 1.400 1.400 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.36912E-02 ppm1 1.902 ppm2 8.196 CV 1 ASSI { 2309} ( segid " " and resid 2424 and name HD1%) (( segid " " and resid 2424 and name HG )) 2.500 0.800 0.800 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.47822E-02 ppm1 0.899 ppm2 1.902 CV 1 ASSI { 2310} ( segid " " and resid 2424 and name HD1%) (( segid " " and resid 2424 and name HB3 )) 3.600 1.600 1.600 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.20189E-02 ppm1 0.899 ppm2 2.070 CV 1 ASSI { 2313} (( segid " " and resid 2425 and name HA )) (( segid " " and resid 2425 and name HB )) 2.600 0.800 0.800 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.52818E-02 ppm1 3.634 ppm2 2.002 CV 1 ASSI { 2314} (( segid " " and resid 2425 and name HA )) ( segid " " and resid 2428 and name HB% ) 2.800 1.000 1.000 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.25797E-02 ppm1 3.633 ppm2 1.674 CV 1 ASSI { 2315} (( segid " " and resid 2425 and name HA )) ( segid " " and resid 2474 and name HB% ) 4.000 2.000 2.000 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.95846E-03 ppm1 3.633 ppm2 1.568 CV 1 ASSI { 2316} (( segid " " and resid 2425 and name HA )) (( segid " " and resid 2426 and name H )) 3.100 1.200 1.200 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.19578E-02 ppm1 3.632 ppm2 8.570 CV 1 ASSI { 2317} (( segid " " and resid 2425 and name HA )) (( segid " " and resid 2429 and name H )) 3.100 1.200 1.200 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.17538E-02 ppm1 3.635 ppm2 8.469 CV 1 ASSI { 2318} (( segid " " and resid 2425 and name HA )) (( segid " " and resid 2428 and name H )) 2.800 1.000 1.000 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.31405E-02 ppm1 3.635 ppm2 8.240 CV 1 ASSI { 2319} (( segid " " and resid 2425 and name HA )) (( segid " " and resid 2471 and name HA )) 3.100 1.200 1.200 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.20291E-02 ppm1 3.634 ppm2 3.468 CV 1 ASSI { 2320} (( segid " " and resid 2425 and name HA )) (( segid " " and resid 2426 and name HA )) 3.600 1.600 1.600 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.10910E-02 ppm1 3.632 ppm2 4.243 CV 1 ASSI { 2322} (( segid " " and resid 2304 and name HB )) (( segid " " and resid 2304 and name HG13)) 2.700 0.900 0.900 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.26409E-02 ppm1 2.019 ppm2 1.293 CV 1 ASSI { 2323} (( segid " " and resid 2304 and name HB )) (( segid " " and resid 2301 and name HB3 )) 3.800 1.800 1.800 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 2.007 ppm2 2.450 CV 1 ASSI { 2325} (( segid " " and resid 2425 and name HB )) (( segid " " and resid 2426 and name HA )) 4.600 2.700 1.400 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.30590E-03 ppm1 2.004 ppm2 4.234 CV 1 ASSI { 2326} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2426 and name H )) 3.100 1.200 1.200 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.21413E-02 ppm1 1.042 ppm2 8.567 CV 1 ASSI { 2327} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2429 and name H )) 3.700 1.700 1.700 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.98907E-03 ppm1 1.041 ppm2 8.475 CV 1 ASSI { 2328} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2426 and name HA )) 3.000 1.200 1.200 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.18252E-02 ppm1 1.046 ppm2 4.238 CV 1 ASSI { 2330} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2425 and name HA )) 2.500 0.800 0.800 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.52410E-02 ppm1 1.045 ppm2 3.634 CV 1 ASSI { 2331} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2471 and name HA )) 3.600 1.600 1.600 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.14989E-02 ppm1 1.039 ppm2 3.460 CV 1 ASSI { 2333} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2425 and name HB )) 2.200 0.600 0.600 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.88204E-02 ppm1 1.043 ppm2 2.004 CV 1 ASSI { 2334} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2429 and name HD2 )) 3.000 1.100 1.100 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.20903E-02 ppm1 1.045 ppm2 1.759 CV 1 OR { 2334} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2429 and name HD3 )) ASSI { 2336} ( segid " " and resid 2425 and name HG2%) ( segid " " and resid 2471 and name HG2%) 3.200 1.200 1.200 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.13867E-02 ppm1 1.043 ppm2 1.226 CV 1 ASSI { 2337} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2425 and name HG13)) 2.800 1.000 1.000 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.32629E-02 ppm1 1.043 ppm2 1.135 CV 1 OR { 2337} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2425 and name HG12)) ASSI { 2339} ( segid " " and resid 2425 and name HD1%) (( segid " " and resid 2425 and name HG13)) 2.500 0.800 0.800 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.46190E-02 ppm1 0.955 ppm2 1.134 CV 1 OR { 2339} ( segid " " and resid 2425 and name HD1%) (( segid " " and resid 2425 and name HG12)) ASSI { 2340} ( segid " " and resid 2425 and name HD1%) ( segid " " and resid 2425 and name HG2%) 2.400 0.700 0.700 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.62607E-02 ppm1 0.954 ppm2 1.044 CV 1 ASSI { 2341} ( segid " " and resid 2425 and name HD1%) ( segid " " and resid 2471 and name HG2%) 4.600 2.600 1.400 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.81573E-03 ppm1 0.957 ppm2 1.214 CV 1 ASSI { 2342} ( segid " " and resid 2425 and name HD1%) ( segid " " and resid 2474 and name HB% ) 3.100 1.200 1.200 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.17436E-02 ppm1 0.954 ppm2 1.569 CV 1 ASSI { 2343} ( segid " " and resid 2425 and name HD1%) (( segid " " and resid 2425 and name HB )) 2.500 0.800 0.800 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.63117E-02 ppm1 0.951 ppm2 2.009 CV 1 ASSI { 2344} ( segid " " and resid 2425 and name HD1%) (( segid " " and resid 2421 and name HB3 )) 3.200 1.300 1.300 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.11522E-02 ppm1 0.954 ppm2 2.169 CV 1 ASSI { 2345} ( segid " " and resid 2425 and name HD1%) (( segid " " and resid 2475 and name HG2 )) 2.500 0.800 0.800 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.51391E-02 ppm1 0.956 ppm2 2.448 CV 1 ASSI { 2346} ( segid " " and resid 2425 and name HD1%) (( segid " " and resid 2475 and name HG3 )) 3.100 1.200 1.200 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.21413E-02 ppm1 0.954 ppm2 2.726 CV 1 ASSI { 2347} ( segid " " and resid 2425 and name HD1%) (( segid " " and resid 2471 and name HA )) 3.700 1.700 1.700 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 0.952 ppm2 3.464 CV 1 ASSI { 2348} ( segid " " and resid 2425 and name HD1%) (( segid " " and resid 2425 and name HA )) 3.700 1.700 1.700 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.30284E-02 ppm1 0.956 ppm2 3.633 CV 1 ASSI { 2349} ( segid " " and resid 2425 and name HD1%) (( segid " " and resid 2475 and name HA )) 3.000 1.100 1.100 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.19883E-02 ppm1 0.952 ppm2 4.167 CV 1 ASSI { 2350} ( segid " " and resid 2425 and name HD1%) (( segid " " and resid 2426 and name H )) 4.500 2.600 1.500 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.91767E-03 ppm1 0.959 ppm2 8.568 CV 1 ASSI { 2351} (( segid " " and resid 2425 and name HG12)) (( segid " " and resid 2426 and name H )) 4.800 2.900 1.200 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.40786E-03 ppm1 1.128 ppm2 8.583 CV 1 OR { 2351} (( segid " " and resid 2425 and name HG13)) (( segid " " and resid 2426 and name H )) ASSI { 2353} (( segid " " and resid 2425 and name HG13)) (( segid " " and resid 2471 and name HA )) 3.200 1.300 1.300 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.87688E-03 ppm1 1.132 ppm2 3.465 CV 1 OR { 2353} (( segid " " and resid 2425 and name HG12)) (( segid " " and resid 2471 and name HA )) ASSI { 2354} (( segid " " and resid 2425 and name HG12)) (( segid " " and resid 2425 and name HB )) 3.100 1.200 1.200 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 1.134 ppm2 2.015 CV 1 OR { 2354} (( segid " " and resid 2425 and name HG13)) (( segid " " and resid 2425 and name HB )) ASSI { 2355} (( segid " " and resid 2425 and name HG13)) ( segid " " and resid 2428 and name HB% ) 5.600 4.000 0.400 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.11216E-03 ppm1 1.133 ppm2 1.679 CV 1 OR { 2355} (( segid " " and resid 2425 and name HG12)) ( segid " " and resid 2428 and name HB% ) ASSI { 2356} (( segid " " and resid 2425 and name HG12)) ( segid " " and resid 2474 and name HB% ) 3.600 1.600 1.600 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.47924E-03 ppm1 1.131 ppm2 1.572 CV 1 OR { 2356} (( segid " " and resid 2425 and name HG13)) ( segid " " and resid 2474 and name HB% ) ASSI { 2359} (( segid " " and resid 2425 and name HG13)) ( segid " " and resid 2471 and name HG2%) 4.200 2.200 1.800 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.37728E-03 ppm1 1.135 ppm2 1.217 CV 1 OR { 2359} (( segid " " and resid 2425 and name HG12)) ( segid " " and resid 2471 and name HG2%) ASSI { 2361} (( segid " " and resid 2426 and name HA )) (( segid " " and resid 2429 and name HD2 )) 3.300 1.400 1.400 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.13256E-02 ppm1 4.237 ppm2 1.758 CV 1 OR { 2361} (( segid " " and resid 2426 and name HA )) (( segid " " and resid 2429 and name HD3 )) ASSI { 2362} (( segid " " and resid 2426 and name HA )) (( segid " " and resid 2429 and name HB3 )) 3.700 1.700 1.700 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.30691E-02 ppm1 4.239 ppm2 2.109 CV 1 ASSI { 2363} (( segid " " and resid 2426 and name HA )) (( segid " " and resid 2429 and name HB2 )) 2.900 1.000 1.000 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.18558E-02 ppm1 4.241 ppm2 2.009 CV 1 ASSI { 2364} (( segid " " and resid 2426 and name HA )) (( segid " " and resid 2426 and name HB3 )) 2.400 0.700 0.700 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.82289E-02 ppm1 4.239 ppm2 4.090 CV 1 OR { 2364} (( segid " " and resid 2426 and name HA )) (( segid " " and resid 2426 and name HB2 )) ASSI { 2367} (( segid " " and resid 2426 and name HA )) (( segid " " and resid 2430 and name H )) 3.300 1.400 1.400 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.15499E-02 ppm1 4.238 ppm2 8.354 CV 1 ASSI { 2368} (( segid " " and resid 2426 and name HA )) (( segid " " and resid 2427 and name H )) 3.200 1.300 1.300 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 4.240 ppm2 8.159 CV 1 ASSI { 2369} (( segid " " and resid 2401 and name HA )) ( segid " " and resid 2356 and name HG2%) 4.000 2.000 2.000 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.12746E-02 ppm1 4.056 ppm2 1.306 CV 1 ASSI { 2371} (( segid " " and resid 2401 and name HA )) (( segid " " and resid 2316 and name HG13)) 3.500 1.500 1.500 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 4.035 ppm2 0.995 CV 1 ASSI { 2372} (( segid " " and resid 2432 and name HA )) (( segid " " and resid 2435 and name H )) 2.900 1.000 1.000 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.32221E-02 ppm1 4.028 ppm2 8.153 CV 1 ASSI { 2374} ( segid " " and resid 2428 and name HB% ) ( segid " " and resid 2470 and name HD2%) 2.600 0.900 0.900 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.41908E-02 ppm1 1.674 ppm2 1.006 CV 1 ASSI { 2375} ( segid " " and resid 2428 and name HB% ) ( segid " " and resid 2424 and name HD1%) 3.300 1.400 1.400 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.16416E-02 ppm1 1.671 ppm2 0.900 CV 1 ASSI { 2376} ( segid " " and resid 2428 and name HB% ) ( segid " " and resid 2407 and name HD1%) 3.300 1.400 1.400 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.14071E-02 ppm1 1.671 ppm2 1.072 CV 1 OR { 2376} ( segid " " and resid 2428 and name HB% ) ( segid " " and resid 2407 and name HD2%) ASSI { 2377} (( segid " " and resid 2429 and name HA )) (( segid " " and resid 2429 and name H )) 2.400 0.700 0.700 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.73415E-02 ppm1 4.112 ppm2 8.474 CV 1 ASSI { 2379} (( segid " " and resid 2301 and name HB2 )) (( segid " " and resid 2301 and name HA )) 2.600 0.800 0.800 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.71071E-02 ppm1 2.110 ppm2 4.402 CV 1 ASSI { 2381} (( segid " " and resid 2429 and name HB3 )) (( segid " " and resid 2429 and name HA )) 2.400 0.700 0.700 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.65666E-02 ppm1 2.099 ppm2 4.106 CV 1 ASSI { 2382} (( segid " " and resid 2301 and name HB2 )) (( segid " " and resid 2301 and name HB3 )) 1.600 0.300 0.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.29957E-01 ppm1 2.111 ppm2 2.460 CV 1 ASSI { 2383} (( segid " " and resid 2429 and name HB3 )) (( segid " " and resid 2429 and name HD3 )) 2.700 0.900 0.900 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.33751E-02 ppm1 2.102 ppm2 1.742 CV 1 OR { 2383} (( segid " " and resid 2429 and name HB3 )) (( segid " " and resid 2429 and name HD2 )) ASSI { 2384} (( segid " " and resid 2429 and name HB3 )) (( segid " " and resid 2429 and name HG3 )) 2.800 1.000 1.000 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.56795E-02 ppm1 2.101 ppm2 1.811 CV 1 ASSI { 2385} (( segid " " and resid 2321 and name HB2 )) (( segid " " and resid 2321 and name HG3 )) 2.600 0.800 0.800 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.46701E-02 ppm1 1.989 ppm2 1.612 CV 1 OR { 2385} (( segid " " and resid 2321 and name HB2 )) (( segid " " and resid 2321 and name HG2 )) ASSI { 2386} (( segid " " and resid 2321 and name HB2 )) (( segid " " and resid 2318 and name HA )) 2.100 0.600 0.600 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.12450E-01 ppm1 1.993 ppm2 4.230 CV 1 ASSI { 2388} (( segid " " and resid 2429 and name HG3 )) (( segid " " and resid 2429 and name HA )) 2.900 1.100 1.100 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.39971E-02 ppm1 1.815 ppm2 4.111 CV 1 ASSI { 2391} (( segid " " and resid 2429 and name HG3 )) (( segid " " and resid 2429 and name HB2 )) 2.100 0.600 0.600 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.81774E-02 ppm1 1.814 ppm2 1.999 CV 1 ASSI { 2392} (( segid " " and resid 2429 and name HG3 )) (( segid " " and resid 2429 and name HG2 )) 1.800 0.400 0.400 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.13602E-01 ppm1 1.814 ppm2 1.537 CV 1 ASSI { 2393} (( segid " " and resid 2429 and name HG2 )) (( segid " " and resid 2429 and name HB2 )) 2.800 1.000 1.000 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.54347E-02 ppm1 1.530 ppm2 2.001 CV 1 ASSI { 2394} (( segid " " and resid 2429 and name HG2 )) (( segid " " and resid 2429 and name HB3 )) 2.400 0.700 0.700 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.48434E-02 ppm1 1.531 ppm2 2.103 CV 1 ASSI { 2395} (( segid " " and resid 2429 and name HG2 )) (( segid " " and resid 2429 and name H )) 3.400 1.400 1.400 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.30998E-02 ppm1 1.534 ppm2 8.468 CV 1 ASSI { 2396} (( segid " " and resid 2430 and name HA )) (( segid " " and resid 2433 and name H )) 2.600 0.800 0.800 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.57611E-02 ppm1 4.363 ppm2 8.622 CV 1 ASSI { 2397} (( segid " " and resid 2430 and name HA )) (( segid " " and resid 2431 and name H )) 2.600 0.900 0.900 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.52206E-02 ppm1 4.364 ppm2 8.505 CV 1 ASSI { 2398} (( segid " " and resid 2430 and name HA )) (( segid " " and resid 2430 and name H )) 2.300 0.700 0.700 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.97581E-02 ppm1 4.364 ppm2 8.356 CV 1 ASSI { 2399} (( segid " " and resid 2430 and name HA )) (( segid " " and resid 2432 and name H )) 3.300 1.400 1.400 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 4.361 ppm2 8.026 CV 1 ASSI { 2402} (( segid " " and resid 2430 and name HA )) (( segid " " and resid 2430 and name HB2 )) 2.500 0.800 0.800 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.95846E-02 ppm1 4.364 ppm2 2.446 CV 1 ASSI { 2410} (( segid " " and resid 2430 and name HB2 )) (( segid " " and resid 2431 and name H )) 2.600 0.800 0.800 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.33955E-02 ppm1 2.446 ppm2 8.491 CV 1 ASSI { 2411} (( segid " " and resid 2430 and name HB2 )) (( segid " " and resid 2430 and name H )) 2.100 0.600 0.600 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.89423E-02 ppm1 2.446 ppm2 8.355 CV 1 ASSI { 2415} (( segid " " and resid 2430 and name HG2 )) (( segid " " and resid 2430 and name HE22)) 3.500 1.500 1.500 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 2.635 ppm2 7.414 CV 1 ASSI { 2416} (( segid " " and resid 2430 and name HG2 )) (( segid " " and resid 2431 and name H )) 3.700 1.700 1.700 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 2.626 ppm2 8.501 CV 1 ASSI { 2417} (( segid " " and resid 2430 and name HG3 )) (( segid " " and resid 2430 and name HG2 )) 1.400 0.200 0.800 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.85833E-01 ppm1 2.532 ppm2 2.629 CV 1 ASSI { 2418} (( segid " " and resid 2431 and name HA )) ( segid " " and resid 2403 and name HB% ) 2.700 0.900 0.900 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.32221E-02 ppm1 3.601 ppm2 1.594 CV 1 ASSI { 2419} (( segid " " and resid 2431 and name HA )) (( segid " " and resid 2431 and name HB )) 2.700 0.900 0.900 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.36707E-02 ppm1 3.601 ppm2 2.383 CV 1 ASSI { 2421} (( segid " " and resid 2431 and name HA )) (( segid " " and resid 2430 and name HA )) 2.800 2.800 3.200 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.44457E-02 ppm1 3.598 ppm2 4.365 CV 1 ASSI { 2422} (( segid " " and resid 2431 and name HA )) (( segid " " and resid 2435 and name H )) 3.100 1.200 1.200 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 3.596 ppm2 8.149 CV 1 ASSI { 2423} (( segid " " and resid 2431 and name HA )) (( segid " " and resid 2432 and name H )) 3.100 1.200 1.200 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.20291E-02 ppm1 3.599 ppm2 8.012 CV 1 ASSI { 2424} (( segid " " and resid 2431 and name HA )) (( segid " " and resid 2431 and name H )) 2.400 0.700 0.700 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.64035E-02 ppm1 3.601 ppm2 8.501 CV 1 ASSI { 2425} (( segid " " and resid 2431 and name HB )) (( segid " " and resid 2431 and name H )) 2.300 0.700 0.700 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.67400E-02 ppm1 2.381 ppm2 8.497 CV 1 ASSI { 2426} (( segid " " and resid 2431 and name HB )) (( segid " " and resid 2428 and name HA )) 2.500 0.800 0.800 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.49963E-02 ppm1 2.380 ppm2 4.042 CV 1 ASSI { 2429} (( segid " " and resid 2431 and name HB )) ( segid " " and resid 2403 and name HB% ) 4.400 2.500 1.600 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.64238E-03 ppm1 2.386 ppm2 1.599 CV 1 ASSI { 2433} ( segid " " and resid 2431 and name HG2%) ( segid " " and resid 2403 and name HB% ) 2.700 0.900 0.900 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.35994E-02 ppm1 1.119 ppm2 1.593 CV 1 ASSI { 2434} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2407 and name HG )) 3.700 1.800 1.800 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.21311E-02 ppm1 1.119 ppm2 1.811 CV 1 ASSI { 2435} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2431 and name HB )) 2.200 0.600 0.600 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.71272E-02 ppm1 1.119 ppm2 2.380 CV 1 ASSI { 2436} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2431 and name HA )) 2.400 0.700 0.700 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.66686E-02 ppm1 1.120 ppm2 3.601 CV 1 ASSI { 2437} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2404 and name HA )) 2.500 0.800 0.800 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.34770E-02 ppm1 1.119 ppm2 3.810 CV 1 ASSI { 2438} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2428 and name HA )) 2.600 0.900 0.900 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.40786E-02 ppm1 1.117 ppm2 4.054 CV 1 ASSI { 2439} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2407 and name HA )) 3.800 1.800 1.800 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.21005E-02 ppm1 1.119 ppm2 4.361 CV 1 ASSI { 2440} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2403 and name HA )) 3.300 1.300 1.300 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 1.116 ppm2 4.281 CV 1 ASSI { 2441} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2432 and name H )) 4.000 2.000 2.000 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.15193E-02 ppm1 1.117 ppm2 8.019 CV 1 ASSI { 2442} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2431 and name H )) 2.300 0.700 0.700 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.73622E-02 ppm1 1.119 ppm2 8.492 CV 1 ASSI { 2443} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2407 and name H )) 3.800 1.800 1.800 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.96871E-03 ppm1 1.116 ppm2 8.312 CV 1 ASSI { 2445} ( segid " " and resid 2431 and name HG1%) (( segid " " and resid 2431 and name HA )) 2.500 0.800 0.800 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.47210E-02 ppm1 0.913 ppm2 3.602 CV 1 ASSI { 2447} ( segid " " and resid 2431 and name HG1%) (( segid " " and resid 2404 and name HB )) 4.500 2.600 1.500 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.45885E-03 ppm1 0.911 ppm2 4.404 CV 1 ASSI { 2448} ( segid " " and resid 2431 and name HG1%) (( segid " " and resid 2431 and name HB )) 2.200 0.600 0.600 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.76268E-02 ppm1 0.913 ppm2 2.381 CV 1 ASSI { 2452} (( segid " " and resid 2432 and name HA )) (( segid " " and resid 2431 and name HB )) 2.800 2.800 3.200 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.64544E-02 ppm1 4.045 ppm2 2.378 CV 1 ASSI { 2454} (( segid " " and resid 2432 and name HA )) (( segid " " and resid 2436 and name H )) 3.000 1.100 1.100 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.21209E-02 ppm1 4.021 ppm2 7.821 CV 1 ASSI { 2455} ( segid " " and resid 2436 and name HB% ) (( segid " " and resid 2437 and name H )) 2.500 0.800 0.800 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.74433E-02 ppm1 1.652 ppm2 7.728 CV 1 ASSI { 2456} ( segid " " and resid 2355 and name HB% ) ( segid " " and resid 2463 and name HG2%) 2.800 1.000 1.000 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.28754E-02 ppm1 1.617 ppm2 1.172 CV 1 ASSI { 2457} ( segid " " and resid 2355 and name HB% ) ( segid " " and resid 2463 and name HG1%) 3.500 1.500 1.500 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.13867E-02 ppm1 1.622 ppm2 0.982 CV 1 ASSI { 2458} ( segid " " and resid 2355 and name HB% ) (( segid " " and resid 2355 and name HA )) 2.500 0.800 0.800 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.66176E-02 ppm1 1.615 ppm2 4.415 CV 1 ASSI { 2459} (( segid " " and resid 2351 and name HA )) (( segid " " and resid 2351 and name H )) 2.400 0.700 0.700 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.73006E-02 ppm1 4.412 ppm2 8.188 CV 1 ASSI { 2464} (( segid " " and resid 2351 and name HB2 )) (( segid " " and resid 2351 and name HB3 )) 1.600 0.300 0.600 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.26001E-01 ppm1 4.248 ppm2 4.081 CV 1 ASSI { 2465} (( segid " " and resid 2351 and name HB2 )) (( segid " " and resid 2351 and name HA )) 2.200 0.600 0.600 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.10349E-01 ppm1 4.248 ppm2 4.405 CV 1 ASSI { 2466} (( segid " " and resid 2351 and name HB2 )) (( segid " " and resid 2351 and name H )) 2.200 0.600 0.600 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.83716E-02 ppm1 4.249 ppm2 8.193 CV 1 ASSI { 2467} (( segid " " and resid 2351 and name HB2 )) (( segid " " and resid 2352 and name H )) 3.300 1.300 1.300 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.31507E-02 ppm1 4.247 ppm2 8.479 CV 1 ASSI { 2471} ( segid " " and resid 2435 and name HG2%) (( segid " " and resid 2435 and name HB )) 2.400 0.700 0.700 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.57203E-02 ppm1 1.309 ppm2 4.393 CV 1 ASSI { 2473} ( segid " " and resid 2435 and name HG2%) (( segid " " and resid 2435 and name HA )) 2.500 0.800 0.800 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.46293E-02 ppm1 1.309 ppm2 3.804 CV 1 ASSI { 2474} ( segid " " and resid 2435 and name HG2%) (( segid " " and resid 2460 and name HA2 )) 2.900 1.100 1.100 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.28653E-02 ppm1 1.310 ppm2 3.710 CV 1 ASSI { 2477} ( segid " " and resid 2435 and name HG2%) ( segid " " and resid 2316 and name HD1%) 3.200 1.200 1.200 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.72397E-03 ppm1 1.307 ppm2 0.848 CV 1 ASSI { 2481} (( segid " " and resid 2437 and name HA )) (( segid " " and resid 2437 and name HB2 )) 2.200 0.600 0.600 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.90441E-02 ppm1 4.151 ppm2 2.332 CV 1 ASSI { 2484} (( segid " " and resid 2437 and name HB2 )) ( segid " " and resid 2396 and name HB% ) 4.000 2.000 2.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 2.331 ppm2 1.506 CV 1 ASSI { 2486} (( segid " " and resid 2437 and name HB2 )) (( segid " " and resid 2437 and name H )) 2.300 0.600 0.600 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.10410E-01 ppm1 2.331 ppm2 7.727 CV 1 ASSI { 2487} (( segid " " and resid 2437 and name HB2 )) (( segid " " and resid 2438 and name H )) 3.300 1.400 1.400 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.42826E-02 ppm1 2.333 ppm2 8.005 CV 1 ASSI { 2491} (( segid " " and resid 2438 and name HB3 )) (( segid " " and resid 2439 and name H )) 2.700 0.900 0.900 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.20597E-02 ppm1 1.523 ppm2 8.207 CV 1 ASSI { 2492} (( segid " " and resid 2438 and name HB3 )) (( segid " " and resid 2438 and name HA )) 2.800 1.000 1.000 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.45783E-02 ppm1 1.523 ppm2 4.050 CV 1 ASSI { 2493} (( segid " " and resid 2438 and name HB3 )) (( segid " " and resid 2435 and name HA )) 3.000 1.100 1.100 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 1.523 ppm2 3.801 CV 1 ASSI { 2494} (( segid " " and resid 2438 and name HB3 )) (( segid " " and resid 2438 and name HB2 )) 1.900 0.400 0.400 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.84125E-02 ppm1 1.520 ppm2 2.155 CV 1 ASSI { 2495} (( segid " " and resid 2438 and name HB3 )) (( segid " " and resid 2438 and name HG )) 2.300 0.700 0.700 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.56387E-02 ppm1 1.520 ppm2 1.669 CV 1 ASSI { 2502} (( segid " " and resid 2470 and name HB3 )) (( segid " " and resid 2470 and name H )) 3.000 1.100 1.100 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.38645E-02 ppm1 2.162 ppm2 8.087 CV 1 ASSI { 2503} (( segid " " and resid 2438 and name HB2 )) (( segid " " and resid 2438 and name H )) 2.400 0.700 0.700 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.46394E-02 ppm1 2.157 ppm2 8.007 CV 1 ASSI { 2504} (( segid " " and resid 2438 and name HG )) (( segid " " and resid 2438 and name H )) 4.000 2.000 2.000 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.11522E-02 ppm1 1.676 ppm2 8.002 CV 1 ASSI { 2505} (( segid " " and resid 2438 and name HG )) (( segid " " and resid 2438 and name HA )) 2.800 1.000 1.000 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.39563E-02 ppm1 1.673 ppm2 4.051 CV 1 ASSI { 2506} (( segid " " and resid 2438 and name HG )) (( segid " " and resid 2438 and name HB2 )) 2.700 0.900 0.900 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.54755E-02 ppm1 1.676 ppm2 2.158 CV 1 ASSI { 2508} (( segid " " and resid 2438 and name HG )) ( segid " " and resid 2359 and name HD2%) 4.000 2.000 2.000 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.52003E-03 ppm1 1.666 ppm2 1.141 CV 1 ASSI { 2512} ( segid " " and resid 2438 and name HD1%) ( segid " " and resid 2393 and name HD2%) 3.700 1.700 1.700 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 0.949 ppm2 0.653 CV 1 ASSI { 2514} ( segid " " and resid 2438 and name HD1%) (( segid " " and resid 2438 and name HG )) 2.300 0.700 0.700 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.72089E-02 ppm1 0.946 ppm2 1.671 CV 1 ASSI { 2516} ( segid " " and resid 2438 and name HD1%) (( segid " " and resid 2438 and name HB2 )) 2.700 0.900 0.900 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.25696E-02 ppm1 0.948 ppm2 2.155 CV 1 ASSI { 2517} ( segid " " and resid 2438 and name HD1%) (( segid " " and resid 2438 and name HA )) 2.400 0.700 0.700 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.59650E-02 ppm1 0.947 ppm2 4.051 CV 1 ASSI { 2518} ( segid " " and resid 2438 and name HD1%) (( segid " " and resid 2397 and name HA )) 2.600 0.800 0.800 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.35688E-02 ppm1 0.948 ppm2 3.923 CV 1 ASSI { 2519} ( segid " " and resid 2438 and name HD1%) (( segid " " and resid 2393 and name HA )) 3.000 1.100 1.100 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.24778E-02 ppm1 0.950 ppm2 3.825 CV 1 ASSI { 2520} ( segid " " and resid 2438 and name HD1%) (( segid " " and resid 2439 and name H )) 3.600 1.600 1.600 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 0.947 ppm2 8.197 CV 1 ASSI { 2521} ( segid " " and resid 2438 and name HD1%) (( segid " " and resid 2438 and name H )) 3.900 1.900 1.900 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 0.945 ppm2 7.997 CV 1 ASSI { 2522} ( segid " " and resid 2438 and name HD1%) (( segid " " and resid 2397 and name H )) 2.900 1.100 1.100 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 0.948 ppm2 8.652 CV 1 ASSI { 2523} ( segid " " and resid 2438 and name HD2%) (( segid " " and resid 2439 and name H )) 2.900 2.900 3.100 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 0.908 ppm2 8.208 CV 1 ASSI { 2524} ( segid " " and resid 2438 and name HD2%) (( segid " " and resid 2438 and name H )) 2.900 2.900 3.100 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 0.903 ppm2 8.003 CV 1 ASSI { 2525} ( segid " " and resid 2438 and name HD2%) (( segid " " and resid 2438 and name HA )) 3.900 1.900 1.900 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.15703E-02 ppm1 0.900 ppm2 4.052 CV 1 ASSI { 2526} ( segid " " and resid 2438 and name HD2%) (( segid " " and resid 2397 and name HA )) 3.000 1.100 1.100 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.17946E-02 ppm1 0.903 ppm2 3.933 CV 1 ASSI { 2527} ( segid " " and resid 2438 and name HD2%) (( segid " " and resid 2435 and name HA )) 3.700 1.800 1.800 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 0.900 ppm2 3.805 CV 1 ASSI { 2528} ( segid " " and resid 2438 and name HD2%) (( segid " " and resid 2360 and name HA )) 2.800 1.000 1.000 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 0.903 ppm2 3.657 CV 1 ASSI { 2529} ( segid " " and resid 2438 and name HD2%) (( segid " " and resid 2438 and name HB2 )) 2.700 0.900 0.900 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.27021E-02 ppm1 0.905 ppm2 2.156 CV 1 ASSI { 2530} ( segid " " and resid 2438 and name HD2%) (( segid " " and resid 2438 and name HG )) 2.300 0.700 0.700 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.76777E-02 ppm1 0.903 ppm2 1.662 CV 1 ASSI { 2531} ( segid " " and resid 2438 and name HD2%) ( segid " " and resid 2363 and name HB% ) 3.100 1.200 1.200 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.20801E-02 ppm1 0.904 ppm2 1.593 CV 1 ASSI { 2534} ( segid " " and resid 2438 and name HD2%) ( segid " " and resid 2400 and name HG1%) 3.100 1.200 1.200 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.19272E-02 ppm1 0.903 ppm2 1.043 CV 1 ASSI { 2536} ( segid " " and resid 2438 and name HD2%) ( segid " " and resid 2435 and name HG2%) 3.500 1.500 1.500 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.39767E-03 ppm1 0.904 ppm2 1.302 CV 1 ASSI { 2537} ( segid " " and resid 2438 and name HD2%) ( segid " " and resid 2309 and name HD2%) 2.700 0.900 0.900 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.18048E-02 ppm1 0.902 ppm2 0.821 CV 1 ASSI { 2540} (( segid " " and resid 2439 and name HA )) (( segid " " and resid 2439 and name HB2 )) 2.700 0.900 0.900 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.63321E-02 ppm1 3.969 ppm2 2.048 CV 1 ASSI { 2541} (( segid " " and resid 2439 and name HA )) (( segid " " and resid 2439 and name HG )) 2.400 0.700 0.700 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.51696E-02 ppm1 3.970 ppm2 1.848 CV 1 ASSI { 2543} (( segid " " and resid 2439 and name HA )) (( segid " " and resid 2442 and name HB3 )) 2.700 0.900 0.900 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.37218E-02 ppm1 3.968 ppm2 3.053 CV 1 ASSI { 2544} (( segid " " and resid 2439 and name HA )) (( segid " " and resid 2442 and name HB2 )) 3.100 1.200 1.200 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.20699E-02 ppm1 3.968 ppm2 2.840 CV 1 ASSI { 2545} (( segid " " and resid 2439 and name HA )) (( segid " " and resid 2439 and name H )) 2.300 0.700 0.700 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.69135E-02 ppm1 3.971 ppm2 8.206 CV 1 ASSI { 2547} (( segid " " and resid 2439 and name HB2 )) (( segid " " and resid 2439 and name H )) 2.200 0.600 0.600 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.63627E-02 ppm1 2.044 ppm2 8.204 CV 1 ASSI { 2548} (( segid " " and resid 2439 and name HB2 )) (( segid " " and resid 2440 and name H )) 2.500 0.800 0.800 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.35586E-02 ppm1 2.044 ppm2 7.987 CV 1 ASSI { 2554} (( segid " " and resid 2439 and name HB3 )) (( segid " " and resid 2439 and name HG )) 2.300 0.600 0.600 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.72805E-02 ppm1 1.680 ppm2 1.849 CV 1 ASSI { 2556} (( segid " " and resid 2439 and name HB3 )) (( segid " " and resid 2440 and name H )) 3.300 1.300 1.300 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.30794E-02 ppm1 1.681 ppm2 7.988 CV 1 ASSI { 2557} (( segid " " and resid 2439 and name HG )) (( segid " " and resid 2439 and name H )) 2.600 0.900 0.900 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.66787E-02 ppm1 1.852 ppm2 8.205 CV 1 ASSI { 2558} (( segid " " and resid 2439 and name HG )) (( segid " " and resid 2440 and name H )) 3.600 1.600 1.600 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.24268E-02 ppm1 1.846 ppm2 7.990 CV 1 ASSI { 2559} (( segid " " and resid 2439 and name HG )) (( segid " " and resid 2436 and name HA )) 4.400 2.400 1.600 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.16926E-02 ppm1 1.850 ppm2 4.174 CV 1 ASSI { 2565} ( segid " " and resid 2439 and name HD1%) (( segid " " and resid 2439 and name HG )) 2.200 0.600 0.600 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.68519E-02 ppm1 0.985 ppm2 1.848 CV 1 ASSI { 2566} ( segid " " and resid 2439 and name HD1%) (( segid " " and resid 2436 and name HA )) 2.200 0.600 0.600 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.46904E-02 ppm1 0.984 ppm2 4.183 CV 1 ASSI { 2567} ( segid " " and resid 2439 and name HD1%) (( segid " " and resid 2439 and name H )) 2.400 0.700 0.700 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.29264E-02 ppm1 0.980 ppm2 8.206 CV 1 ASSI { 2569} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2440 and name H )) 4.400 2.400 1.600 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 0.927 ppm2 7.984 CV 1 ASSI { 2570} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2439 and name HA )) 2.800 1.000 1.000 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.98190E-02 ppm1 0.919 ppm2 3.976 CV 1 ASSI { 2571} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2460 and name HA2 )) 3.700 1.700 1.700 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.22840E-02 ppm1 0.917 ppm2 3.706 CV 1 ASSI { 2572} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2439 and name HG )) 2.300 0.600 0.600 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.64442E-02 ppm1 0.920 ppm2 1.849 CV 1 ASSI { 2573} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2439 and name HB3 )) 2.400 0.700 0.700 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.46701E-02 ppm1 0.919 ppm2 1.679 CV 1 ASSI { 2574} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2439 and name HB2 )) 2.900 1.100 1.100 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.27225E-02 ppm1 0.917 ppm2 2.053 CV 1 ASSI { 2575} ( segid " " and resid 2439 and name HD2%) ( segid " " and resid 2459 and name HB% ) 3.900 1.900 1.900 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.77494E-03 ppm1 0.923 ppm2 1.583 CV 1 ASSI { 2577} ( segid " " and resid 2439 and name HD2%) ( segid " " and resid 2456 and name HD1%) 3.300 1.400 1.400 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.22534E-02 ppm1 0.916 ppm2 1.057 CV 1 ASSI { 2578} (( segid " " and resid 2440 and name HA )) (( segid " " and resid 2440 and name HB )) 2.500 0.800 0.800 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.65666E-02 ppm1 3.693 ppm2 2.240 CV 1 ASSI { 2579} (( segid " " and resid 2440 and name HA )) (( segid " " and resid 2443 and name HB2 )) 2.700 0.900 0.900 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.35280E-02 ppm1 3.691 ppm2 2.038 CV 1 OR { 2579} (( segid " " and resid 2440 and name HA )) (( segid " " and resid 2443 and name HB3 )) ASSI { 2580} (( segid " " and resid 2440 and name HA )) (( segid " " and resid 2444 and name H )) 3.500 1.500 1.500 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 3.698 ppm2 7.615 CV 1 ASSI { 2582} (( segid " " and resid 2440 and name HA )) (( segid " " and resid 2443 and name H )) 2.900 1.100 1.100 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.25083E-02 ppm1 3.691 ppm2 8.153 CV 1 ASSI { 2587} (( segid " " and resid 2297 and name HB3 )) (( segid " " and resid 2297 and name HB2 )) 1.600 0.300 0.600 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.35219E-01 ppm1 2.239 ppm2 1.713 CV 1 ASSI { 2590} ( segid " " and resid 2396 and name HB% ) (( segid " " and resid 2396 and name H )) 2.400 0.700 0.700 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.86469E-02 ppm1 1.498 ppm2 7.955 CV 1 ASSI { 2591} ( segid " " and resid 2441 and name HB% ) (( segid " " and resid 2441 and name HA )) 2.300 0.700 0.700 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.10033E-01 ppm1 1.522 ppm2 4.343 CV 1 ASSI { 2593} ( segid " " and resid 2441 and name HB% ) (( segid " " and resid 2393 and name HA )) 2.800 1.000 1.000 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.30488E-02 ppm1 1.518 ppm2 3.830 CV 1 ASSI { 2600} (( segid " " and resid 2442 and name HA )) (( segid " " and resid 2442 and name H )) 2.500 0.800 0.800 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.56081E-02 ppm1 4.522 ppm2 7.990 CV 1 ASSI { 2601} (( segid " " and resid 2442 and name HB2 )) (( segid " " and resid 2443 and name H )) 4.100 2.100 1.900 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.12338E-02 ppm1 2.831 ppm2 8.149 CV 1 ASSI { 2602} (( segid " " and resid 2442 and name HB2 )) (( segid " " and resid 2442 and name H )) 2.700 0.900 0.900 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.32017E-02 ppm1 2.840 ppm2 7.985 CV 1 ASSI { 2604} (( segid " " and resid 2442 and name HB2 )) (( segid " " and resid 2442 and name HA )) 2.400 0.700 0.700 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.55979E-02 ppm1 2.841 ppm2 4.520 CV 1 ASSI { 2605} (( segid " " and resid 2442 and name HB2 )) (( segid " " and resid 2442 and name HB3 )) 1.800 0.400 0.400 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.15163E-01 ppm1 2.841 ppm2 3.057 CV 1 ASSI { 2606} (( segid " " and resid 2442 and name HB2 )) (( segid " " and resid 2456 and name HG )) 4.100 2.100 1.900 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.53022E-03 ppm1 2.837 ppm2 1.678 CV 1 ASSI { 2611} (( segid " " and resid 2442 and name HB2 )) ( segid " " and resid 2370 and name HD2%) 4.700 2.800 1.300 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.24472E-03 ppm1 2.845 ppm2 0.832 CV 1 ASSI { 2613} (( segid " " and resid 2442 and name HB3 )) ( segid " " and resid 2439 and name HD2%) 4.700 2.700 1.300 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.20393E-03 ppm1 3.051 ppm2 0.924 CV 1 ASSI { 2616} (( segid " " and resid 2442 and name HB3 )) ( segid " " and resid 2441 and name HB% ) 4.800 2.900 1.200 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.45885E-03 ppm1 3.057 ppm2 1.509 CV 1 ASSI { 2618} (( segid " " and resid 2442 and name HB3 )) (( segid " " and resid 2442 and name HA )) 2.800 1.000 1.000 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.48230E-02 ppm1 3.055 ppm2 4.519 CV 1 ASSI { 2620} (( segid " " and resid 2442 and name HB3 )) (( segid " " and resid 2443 and name H )) 2.800 1.000 1.000 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.19985E-02 ppm1 3.060 ppm2 8.149 CV 1 ASSI { 2621} (( segid " " and resid 2442 and name HB3 )) (( segid " " and resid 2442 and name H )) 2.500 0.800 0.800 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.56999E-02 ppm1 3.060 ppm2 7.987 CV 1 ASSI { 2622} (( segid " " and resid 2443 and name HA )) ( segid " " and resid 2446 and name HB% ) 3.100 1.200 1.200 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.16315E-02 ppm1 4.240 ppm2 1.475 CV 1 ASSI { 2623} (( segid " " and resid 2476 and name HE2 )) (( segid " " and resid 2476 and name HB2 )) 2.800 1.000 1.000 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.60771E-02 ppm1 3.045 ppm2 1.883 CV 1 OR { 2623} (( segid " " and resid 2476 and name HE3 )) (( segid " " and resid 2476 and name HB2 )) ASSI { 2624} (( segid " " and resid 2303 and name HA )) (( segid " " and resid 2306 and name H )) 2.900 1.000 1.000 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.27633E-02 ppm1 4.001 ppm2 8.167 CV 1 ASSI { 2625} (( segid " " and resid 2444 and name HA )) (( segid " " and resid 2445 and name H )) 3.000 1.100 1.100 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.29264E-02 ppm1 4.011 ppm2 7.119 CV 1 ASSI { 2628} ( segid " " and resid 2444 and name HG1%) (( segid " " and resid 2444 and name H )) 3.700 1.700 1.700 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.26715E-02 ppm1 1.100 ppm2 7.609 CV 1 ASSI { 2632} ( segid " " and resid 2444 and name HG2%) (( segid " " and resid 2444 and name HB )) 2.300 0.700 0.700 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.60058E-02 ppm1 1.280 ppm2 2.292 CV 1 ASSI { 2633} ( segid " " and resid 2444 and name HG2%) (( segid " " and resid 2444 and name HA )) 2.600 0.800 0.800 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.58120E-02 ppm1 1.279 ppm2 4.016 CV 1 ASSI { 2636} ( segid " " and resid 2444 and name HG2%) (( segid " " and resid 2444 and name H )) 2.400 0.700 0.700 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.67601E-02 ppm1 1.279 ppm2 7.612 CV 1 ASSI { 2637} (( segid " " and resid 2445 and name HA )) (( segid " " and resid 2445 and name HG2 )) 3.800 1.800 1.800 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 4.454 ppm2 0.538 CV 1 ASSI { 2638} (( segid " " and resid 2445 and name HA )) (( segid " " and resid 2445 and name HE2 )) 4.700 2.700 1.300 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.82591E-03 ppm1 4.455 ppm2 2.566 CV 1 OR { 2638} (( segid " " and resid 2445 and name HA )) (( segid " " and resid 2445 and name HE3 )) ASSI { 2639} (( segid " " and resid 2445 and name HB2 )) (( segid " " and resid 2445 and name HG2 )) 3.200 1.300 1.300 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.87688E-03 ppm1 1.489 ppm2 0.545 CV 1 ASSI { 2641} (( segid " " and resid 2445 and name HB2 )) (( segid " " and resid 2445 and name HB3 )) 2.000 0.500 0.500 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.58426E-02 ppm1 1.494 ppm2 1.129 CV 1 ASSI { 2645} (( segid " " and resid 2445 and name HB3 )) (( segid " " and resid 2445 and name H )) 5.000 3.100 1.000 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.33649E-03 ppm1 1.136 ppm2 7.153 CV 1 ASSI { 2647} (( segid " " and resid 2445 and name HB3 )) (( segid " " and resid 2445 and name HA )) 3.500 1.600 1.600 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.66278E-03 ppm1 1.136 ppm2 4.446 CV 1 ASSI { 2648} (( segid " " and resid 2445 and name HB3 )) (( segid " " and resid 2445 and name HG2 )) 3.100 1.200 1.200 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 1.136 ppm2 0.538 CV 1 ASSI { 2652} (( segid " " and resid 2445 and name HG2 )) (( segid " " and resid 2445 and name HD2 )) 3.600 1.600 1.600 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 0.535 ppm2 0.976 CV 1 ASSI { 2653} (( segid " " and resid 2445 and name HG2 )) (( segid " " and resid 2445 and name HD3 )) 3.100 1.200 1.200 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.96871E-03 ppm1 0.535 ppm2 1.265 CV 1 ASSI { 2656} (( segid " " and resid 2445 and name HG3 )) (( segid " " and resid 2445 and name HA )) 2.900 1.000 1.000 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 0.792 ppm2 4.444 CV 1 ASSI { 2658} (( segid " " and resid 2445 and name HG3 )) (( segid " " and resid 2445 and name HD3 )) 3.300 1.300 1.300 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 0.787 ppm2 1.268 CV 1 ASSI { 2659} (( segid " " and resid 2445 and name HG3 )) (( segid " " and resid 2445 and name HB2 )) 3.500 1.500 1.500 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.13051E-02 ppm1 0.777 ppm2 1.498 CV 1 ASSI { 2660} (( segid " " and resid 2445 and name HG3 )) (( segid " " and resid 2445 and name HB3 )) 2.900 1.100 1.100 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.17436E-02 ppm1 0.778 ppm2 1.125 CV 1 ASSI { 2661} (( segid " " and resid 2445 and name HG3 )) (( segid " " and resid 2445 and name HG2 )) 2.100 0.500 0.500 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.45375E-02 ppm1 0.790 ppm2 0.542 CV 1 ASSI { 2664} (( segid " " and resid 2445 and name HD3 )) (( segid " " and resid 2445 and name HB2 )) 2.900 1.000 1.000 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.11726E-02 ppm1 1.270 ppm2 1.481 CV 1 ASSI { 2666} (( segid " " and resid 2345 and name HG12)) (( segid " " and resid 2346 and name H )) 4.300 2.300 1.700 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.68318E-03 ppm1 0.992 ppm2 8.089 CV 1 ASSI { 2667} (( segid " " and resid 2345 and name HG12)) ( segid " " and resid 2341 and name HE% ) 4.500 2.600 1.500 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.21413E-03 ppm1 1.009 ppm2 7.327 CV 1 OR { 2667} (( segid " " and resid 2345 and name HG12)) ( segid " " and resid 2341 and name HD% ) ASSI { 2668} (( segid " " and resid 2445 and name HD2 )) (( segid " " and resid 2445 and name HA )) 3.100 1.200 1.200 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.99925E-03 ppm1 0.980 ppm2 4.449 CV 1 ASSI { 2670} (( segid " " and resid 2445 and name HD2 )) (( segid " " and resid 2445 and name HB2 )) 3.300 1.400 1.400 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.13867E-02 ppm1 0.974 ppm2 1.497 CV 1 ASSI { 2673} (( segid " " and resid 2445 and name HE3 )) (( segid " " and resid 2445 and name HG3 )) 4.300 2.300 1.700 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.44865E-03 ppm1 2.574 ppm2 0.802 CV 1 OR { 2673} (( segid " " and resid 2445 and name HE2 )) (( segid " " and resid 2445 and name HG3 )) ASSI { 2674} (( segid " " and resid 2445 and name HE3 )) (( segid " " and resid 2445 and name HG2 )) 3.100 1.200 1.200 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 2.569 ppm2 0.537 CV 1 OR { 2674} (( segid " " and resid 2445 and name HE2 )) (( segid " " and resid 2445 and name HG2 )) ASSI { 2675} (( segid " " and resid 2445 and name HE2 )) (( segid " " and resid 2445 and name HD2 )) 3.100 1.200 1.200 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.14071E-02 ppm1 2.571 ppm2 0.969 CV 1 OR { 2675} (( segid " " and resid 2445 and name HE3 )) (( segid " " and resid 2445 and name HD2 )) ASSI { 2676} (( segid " " and resid 2445 and name HE2 )) (( segid " " and resid 2445 and name HD3 )) 2.800 0.900 0.900 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 2.575 ppm2 1.266 CV 1 OR { 2676} (( segid " " and resid 2445 and name HE3 )) (( segid " " and resid 2445 and name HD3 )) ASSI { 2677} (( segid " " and resid 2445 and name HE2 )) ( segid " " and resid 2444 and name HG1%) 4.600 2.700 1.400 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.32629E-03 ppm1 2.573 ppm2 1.104 CV 1 OR { 2677} (( segid " " and resid 2445 and name HE3 )) ( segid " " and resid 2444 and name HG1%) ASSI { 2678} (( segid " " and resid 2445 and name HE3 )) (( segid " " and resid 2445 and name HB2 )) 4.500 2.500 1.500 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.62199E-03 ppm1 2.585 ppm2 1.489 CV 1 OR { 2678} (( segid " " and resid 2445 and name HE2 )) (( segid " " and resid 2445 and name HB2 )) ASSI { 2679} (( segid " " and resid 2445 and name HE3 )) (( segid " " and resid 2389 and name HB2 )) 3.500 1.500 1.500 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.47924E-03 ppm1 2.567 ppm2 3.517 CV 1 OR { 2679} (( segid " " and resid 2445 and name HE2 )) (( segid " " and resid 2389 and name HB2 )) ASSI { 2681} (( segid " " and resid 2445 and name HE3 )) (( segid " " and resid 2386 and name HA )) 2.700 0.900 0.900 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.27837E-02 ppm1 2.575 ppm2 4.699 CV 1 ASSI { 2683} (( segid " " and resid 2445 and name HE2 )) (( segid " " and resid 2389 and name HD1 )) 4.100 2.100 1.900 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 2.555 ppm2 7.464 CV 1 OR { 2683} (( segid " " and resid 2445 and name HE3 )) (( segid " " and resid 2389 and name HD1 )) ASSI { 2684} (( segid " " and resid 2446 and name HA )) (( segid " " and resid 2447 and name H )) 2.100 0.600 0.600 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.13133E-01 ppm1 4.436 ppm2 8.499 CV 1 ASSI { 2685} (( segid " " and resid 2446 and name HA )) (( segid " " and resid 2446 and name H )) 2.500 0.800 0.800 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.54450E-02 ppm1 4.435 ppm2 7.815 CV 1 ASSI { 2686} (( segid " " and resid 2446 and name HA )) (( segid " " and resid 2447 and name HB2 )) 3.700 1.700 1.700 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.21719E-02 ppm1 4.433 ppm2 2.759 CV 1 ASSI { 2688} (( segid " " and resid 2446 and name HA )) ( segid " " and resid 2370 and name HD2%) 3.100 1.200 1.200 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.17029E-02 ppm1 4.433 ppm2 0.838 CV 1 OR { 2688} (( segid " " and resid 2446 and name HA )) ( segid " " and resid 2370 and name HD1%) ASSI { 2689} (( segid " " and resid 2447 and name HA )) (( segid " " and resid 2448 and name H )) 2.300 0.600 0.600 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.98806E-02 ppm1 4.672 ppm2 8.577 CV 1 ASSI { 2690} (( segid " " and resid 2447 and name HA )) (( segid " " and resid 2447 and name HB3 )) 2.400 0.700 0.700 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.83408E-02 ppm1 4.670 ppm2 2.769 CV 1 OR { 2690} (( segid " " and resid 2447 and name HA )) (( segid " " and resid 2447 and name HB2 )) ASSI { 2693} (( segid " " and resid 2448 and name HA )) (( segid " " and resid 2448 and name H )) 2.900 1.100 1.100 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.23146E-02 ppm1 4.189 ppm2 8.575 CV 1 ASSI { 2694} (( segid " " and resid 2448 and name HA )) (( segid " " and resid 2449 and name H )) 2.600 0.900 0.900 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.51696E-02 ppm1 4.189 ppm2 8.494 CV 1 ASSI { 2696} (( segid " " and resid 2449 and name HA )) (( segid " " and resid 2454 and name HD2 )) 4.200 2.200 1.800 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.66278E-03 ppm1 4.803 ppm2 1.759 CV 1 OR { 2696} (( segid " " and resid 2449 and name HA )) (( segid " " and resid 2454 and name HD3 )) ASSI { 2700} (( segid " " and resid 2449 and name HA )) (( segid " " and resid 2449 and name HB3 )) 2.300 0.600 0.600 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.12746E-01 ppm1 4.809 ppm2 2.829 CV 1 ASSI { 2702} (( segid " " and resid 2449 and name HA )) (( segid " " and resid 2449 and name H )) 2.800 0.900 0.900 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.36810E-02 ppm1 4.810 ppm2 8.490 CV 1 ASSI { 2703} (( segid " " and resid 2449 and name HA )) (( segid " " and resid 2450 and name H )) 2.500 0.800 0.800 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.64646E-02 ppm1 4.811 ppm2 7.663 CV 1 ASSI { 2704} (( segid " " and resid 2449 and name HB2 )) (( segid " " and resid 2449 and name H )) 2.800 1.000 1.000 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.37421E-02 ppm1 2.662 ppm2 8.493 CV 1 ASSI { 2706} (( segid " " and resid 2449 and name HB2 )) (( segid " " and resid 2449 and name HB3 )) 1.600 0.300 0.600 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.53603E-01 ppm1 2.664 ppm2 2.829 CV 1 ASSI { 2709} (( segid " " and resid 2449 and name HB3 )) (( segid " " and resid 2449 and name H )) 3.000 1.100 1.100 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.26919E-02 ppm1 2.837 ppm2 8.489 CV 1 ASSI { 2710} (( segid " " and resid 2450 and name HA )) (( segid " " and resid 2451 and name H )) 2.300 0.700 0.700 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.76985E-02 ppm1 4.565 ppm2 9.055 CV 1 ASSI { 2711} (( segid " " and resid 2450 and name HA )) (( segid " " and resid 2450 and name HB3 )) 2.300 0.700 0.700 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.14275E-01 ppm1 4.566 ppm2 4.417 CV 1 ASSI { 2712} (( segid " " and resid 2450 and name HA )) (( segid " " and resid 2450 and name HB2 )) 2.200 0.600 0.600 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.99724E-02 ppm1 4.565 ppm2 4.034 CV 1 ASSI { 2713} (( segid " " and resid 2444 and name HA )) (( segid " " and resid 2444 and name H )) 2.400 0.700 0.700 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.77393E-02 ppm1 4.016 ppm2 7.616 CV 1 ASSI { 2714} (( segid " " and resid 2450 and name HB2 )) (( segid " " and resid 2451 and name H )) 3.700 1.700 1.700 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.17029E-02 ppm1 4.033 ppm2 9.062 CV 1 ASSI { 2716} (( segid " " and resid 2450 and name HB2 )) (( segid " " and resid 2453 and name H )) 4.100 2.100 1.900 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 4.038 ppm2 7.891 CV 1 ASSI { 2717} (( segid " " and resid 2450 and name HB2 )) (( segid " " and resid 2450 and name H )) 2.600 0.800 0.800 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.46394E-02 ppm1 4.029 ppm2 7.666 CV 1 ASSI { 2720} (( segid " " and resid 2450 and name HB2 )) (( segid " " and resid 2447 and name HA )) 3.300 3.300 2.700 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.23248E-02 ppm1 4.030 ppm2 4.682 CV 1 ASSI { 2721} (( segid " " and resid 2450 and name HB2 )) (( segid " " and resid 2447 and name HB2 )) 3.100 1.200 1.200 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.13867E-02 ppm1 4.027 ppm2 2.779 CV 1 OR { 2721} (( segid " " and resid 2450 and name HB2 )) (( segid " " and resid 2447 and name HB3 )) ASSI { 2723} ( segid " " and resid 2396 and name HB% ) (( segid " " and resid 2395 and name H )) 4.300 2.300 1.700 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.39767E-03 ppm1 1.465 ppm2 8.360 CV 1 ASSI { 2725} (( segid " " and resid 2453 and name HB2 )) (( segid " " and resid 2454 and name H )) 3.000 1.100 1.100 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.19781E-02 ppm1 2.198 ppm2 8.334 CV 1 OR { 2725} (( segid " " and resid 2453 and name HB3 )) (( segid " " and resid 2454 and name H )) ASSI { 2726} (( segid " " and resid 2453 and name HB3 )) (( segid " " and resid 2450 and name HB2 )) 4.500 2.500 1.500 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.11522E-02 ppm1 2.214 ppm2 4.033 CV 1 OR { 2726} (( segid " " and resid 2453 and name HB2 )) (( segid " " and resid 2450 and name HB2 )) ASSI { 2729} (( segid " " and resid 2453 and name HG3 )) ( segid " " and resid 2446 and name HB% ) 3.500 1.600 1.600 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 2.703 ppm2 1.473 CV 1 ASSI { 2730} (( segid " " and resid 2453 and name HG3 )) (( segid " " and resid 2453 and name HB2 )) 2.500 0.800 0.800 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.51493E-02 ppm1 2.702 ppm2 2.203 CV 1 OR { 2730} (( segid " " and resid 2453 and name HG3 )) (( segid " " and resid 2453 and name HB3 )) ASSI { 2731} (( segid " " and resid 2453 and name HG3 )) (( segid " " and resid 2453 and name HA )) 3.300 1.400 1.400 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.19475E-02 ppm1 2.703 ppm2 4.647 CV 1 ASSI { 2732} (( segid " " and resid 2453 and name HG3 )) (( segid " " and resid 2450 and name HB3 )) 4.500 2.500 1.500 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.49963E-03 ppm1 2.700 ppm2 4.424 CV 1 ASSI { 2734} (( segid " " and resid 2453 and name HG3 )) (( segid " " and resid 2450 and name HB2 )) 2.900 2.900 3.100 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.12950E-02 ppm1 2.704 ppm2 4.028 CV 1 ASSI { 2735} (( segid " " and resid 2453 and name HG3 )) (( segid " " and resid 2453 and name H )) 3.600 1.600 1.600 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.29468E-02 ppm1 2.699 ppm2 7.892 CV 1 ASSI { 2736} (( segid " " and resid 2453 and name HG2 )) (( segid " " and resid 2453 and name H )) 3.500 1.500 1.500 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.28958E-02 ppm1 2.757 ppm2 7.887 CV 1 ASSI { 2737} (( segid " " and resid 2453 and name HG2 )) (( segid " " and resid 2453 and name HA )) 3.100 1.200 1.200 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 2.759 ppm2 4.653 CV 1 ASSI { 2740} (( segid " " and resid 2453 and name HG2 )) (( segid " " and resid 2453 and name HB3 )) 2.600 0.800 0.800 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.45273E-02 ppm1 2.762 ppm2 2.201 CV 1 OR { 2740} (( segid " " and resid 2453 and name HG2 )) (( segid " " and resid 2453 and name HB2 )) ASSI { 2741} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2454 and name HE3 )) 4.600 2.700 1.400 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.70354E-03 ppm1 4.167 ppm2 3.027 CV 1 OR { 2741} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2454 and name HE2 )) ASSI { 2742} (( segid " " and resid 2380 and name HB2 )) ( segid " " and resid 2379 and name HG2%) 5.200 3.400 0.800 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.20393E-03 ppm1 2.058 ppm2 1.000 CV 1 ASSI { 2743} (( segid " " and resid 2454 and name HG3 )) (( segid " " and resid 2454 and name H )) 3.000 1.100 1.100 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.17334E-02 ppm1 1.536 ppm2 8.329 CV 1 OR { 2743} (( segid " " and resid 2454 and name HG2 )) (( segid " " and resid 2454 and name H )) ASSI { 2744} (( segid " " and resid 2454 and name HG2 )) (( segid " " and resid 2454 and name HB3 )) 3.000 1.100 1.100 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.20903E-02 ppm1 1.540 ppm2 2.076 CV 1 OR { 2744} (( segid " " and resid 2454 and name HG3 )) (( segid " " and resid 2454 and name HB3 )) ASSI { 2747} (( segid " " and resid 2465 and name HA )) (( segid " " and resid 2468 and name HB3 )) 3.500 1.500 1.500 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.38441E-02 ppm1 4.216 ppm2 2.708 CV 1 ASSI { 2749} (( segid " " and resid 2455 and name HB3 )) (( segid " " and resid 2455 and name HB2 )) 1.900 0.500 0.500 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.11838E-01 ppm1 2.112 ppm2 1.986 CV 1 OR { 2749} (( segid " " and resid 2455 and name HB3 )) (( segid " " and resid 2455 and name HG2 )) ASSI { 2751} (( segid " " and resid 2465 and name HB3 )) (( segid " " and resid 2466 and name H )) 2.800 1.000 1.000 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.29978E-02 ppm1 1.959 ppm2 7.976 CV 1 OR { 2751} (( segid " " and resid 2465 and name HB2 )) (( segid " " and resid 2466 and name H )) ASSI { 2752} (( segid " " and resid 2465 and name HB3 )) (( segid " " and resid 2465 and name H )) 2.500 0.800 0.800 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.49250E-02 ppm1 1.957 ppm2 8.129 CV 1 OR { 2752} (( segid " " and resid 2465 and name HB2 )) (( segid " " and resid 2465 and name H )) ASSI { 2755} (( segid " " and resid 2465 and name HD2 )) (( segid " " and resid 2465 and name HB3 )) 2.500 0.800 0.800 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.58936E-02 ppm1 3.352 ppm2 1.978 CV 1 OR { 2755} (( segid " " and resid 2465 and name HD2 )) (( segid " " and resid 2465 and name HB2 )) OR { 2755} (( segid " " and resid 2465 and name HD3 )) (( segid " " and resid 2465 and name HB3 )) OR { 2755} (( segid " " and resid 2465 and name HD3 )) (( segid " " and resid 2465 and name HB2 )) ASSI { 2757} (( segid " " and resid 2456 and name HB2 )) ( segid " " and resid 2456 and name HD1%) 3.300 1.400 1.400 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 1.803 ppm2 1.026 CV 1 OR { 2757} (( segid " " and resid 2456 and name HB2 )) ( segid " " and resid 2456 and name HD2%) ASSI { 2758} (( segid " " and resid 2456 and name HB2 )) ( segid " " and resid 2362 and name HB% ) 3.600 1.600 1.600 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.12848E-02 ppm1 1.804 ppm2 1.627 CV 1 ASSI { 2760} (( segid " " and resid 2456 and name HB2 )) (( segid " " and resid 2456 and name HA )) 2.400 0.700 0.700 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.60568E-02 ppm1 1.804 ppm2 4.031 CV 1 ASSI { 2761} (( segid " " and resid 2456 and name HB2 )) (( segid " " and resid 2453 and name HA )) 2.700 0.900 0.900 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.27225E-02 ppm1 1.806 ppm2 4.643 CV 1 ASSI { 2762} (( segid " " and resid 2456 and name HB2 )) (( segid " " and resid 2456 and name H )) 2.300 0.700 0.700 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.50881E-02 ppm1 1.809 ppm2 8.206 CV 1 ASSI { 2763} (( segid " " and resid 2456 and name HB2 )) (( segid " " and resid 2457 and name H )) 3.300 1.400 1.400 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.25389E-02 ppm1 1.804 ppm2 8.576 CV 1 ASSI { 2764} (( segid " " and resid 2456 and name HB3 )) (( segid " " and resid 2456 and name HG )) 2.700 0.900 0.900 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.50167E-02 ppm1 2.048 ppm2 1.688 CV 1 ASSI { 2766} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2456 and name H )) 4.200 2.200 1.800 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.15703E-02 ppm1 1.059 ppm2 8.206 CV 1 ASSI { 2767} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2442 and name H )) 3.100 1.200 1.200 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.73415E-03 ppm1 1.064 ppm2 7.988 CV 1 ASSI { 2768} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2457 and name H )) 4.300 2.300 1.700 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.94828E-03 ppm1 1.058 ppm2 8.583 CV 1 ASSI { 2769} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2456 and name HA )) 3.500 1.600 1.600 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.23758E-02 ppm1 1.061 ppm2 4.023 CV 1 ASSI { 2770} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2366 and name HA )) 3.000 1.100 1.100 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 1.061 ppm2 4.129 CV 1 ASSI { 2771} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2363 and name HA )) 3.100 1.200 1.200 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.14887E-02 ppm1 1.064 ppm2 4.254 CV 1 ASSI { 2772} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2453 and name HA )) 3.900 1.900 1.900 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.58120E-03 ppm1 1.062 ppm2 4.651 CV 1 ASSI { 2773} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2442 and name HB3 )) 3.000 1.100 1.100 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.16926E-02 ppm1 1.062 ppm2 3.061 CV 1 ASSI { 2774} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2442 and name HB2 )) 3.400 1.400 1.400 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 1.061 ppm2 2.840 CV 1 ASSI { 2775} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2456 and name HB3 )) 2.700 0.900 0.900 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.42622E-02 ppm1 1.060 ppm2 2.063 CV 1 ASSI { 2776} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2456 and name HB2 )) 2.600 0.900 0.900 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.38441E-02 ppm1 1.061 ppm2 1.808 CV 1 ASSI { 2777} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2456 and name HG )) 2.200 0.600 0.600 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.11206E-01 ppm1 1.061 ppm2 1.704 CV 1 ASSI { 2783} ( segid " " and resid 2470 and name HD2%) ( segid " " and resid 2345 and name HD1%) 4.200 2.200 1.800 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.71379E-03 ppm1 1.000 ppm2 0.675 CV 1 ASSI { 2784} ( segid " " and resid 2326 and name HD1%) (( segid " " and resid 2326 and name HB3 )) 2.600 0.800 0.800 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.48434E-02 ppm1 1.023 ppm2 1.949 CV 1 ASSI { 2786} ( segid " " and resid 2456 and name HD2%) (( segid " " and resid 2456 and name H )) 4.000 2.000 2.000 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.13357E-02 ppm1 1.017 ppm2 8.216 CV 1 ASSI { 2788} (( segid " " and resid 2457 and name HA )) ( segid " " and resid 2456 and name HD2%) 3.400 1.400 1.400 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 4.017 ppm2 1.010 CV 1 ASSI { 2789} (( segid " " and resid 2457 and name HB3 )) (( segid " " and resid 2457 and name H )) 2.600 0.800 0.800 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.41602E-02 ppm1 2.235 ppm2 8.577 CV 1 OR { 2789} (( segid " " and resid 2457 and name HB2 )) (( segid " " and resid 2457 and name H )) ASSI { 2791} (( segid " " and resid 2460 and name HA2 )) (( segid " " and resid 2460 and name H )) 2.500 0.800 0.800 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.67909E-02 ppm1 3.705 ppm2 8.959 CV 1 ASSI { 2792} (( segid " " and resid 2460 and name HA2 )) (( segid " " and resid 2461 and name H )) 3.100 1.200 1.200 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.28347E-02 ppm1 3.707 ppm2 8.506 CV 1 ASSI { 2793} (( segid " " and resid 2460 and name HA2 )) (( segid " " and resid 2459 and name H )) 3.900 1.900 1.900 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.15805E-02 ppm1 3.700 ppm2 8.226 CV 1 ASSI { 2796} (( segid " " and resid 2460 and name HA2 )) (( segid " " and resid 2463 and name HB )) 3.100 1.200 1.200 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.19475E-02 ppm1 3.711 ppm2 2.426 CV 1 ASSI { 2805} (( segid " " and resid 2460 and name HA3 )) (( segid " " and resid 2463 and name HB )) 3.900 1.900 1.900 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.12746E-02 ppm1 3.832 ppm2 2.426 CV 1 ASSI { 2806} (( segid " " and resid 2460 and name HA3 )) (( segid " " and resid 2460 and name HA2 )) 1.800 0.400 0.400 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.10777E-01 ppm1 3.824 ppm2 3.706 CV 1 ASSI { 2807} (( segid " " and resid 2460 and name HA3 )) (( segid " " and resid 2460 and name H )) 2.300 0.600 0.600 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.56183E-02 ppm1 3.825 ppm2 8.960 CV 1 ASSI { 2810} (( segid " " and resid 2461 and name HA )) (( segid " " and resid 2461 and name HB3 )) 2.300 0.700 0.700 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.13592E-01 ppm1 4.593 ppm2 3.088 CV 1 ASSI { 2811} (( segid " " and resid 2461 and name HB2 )) (( segid " " and resid 2464 and name HB3 )) 3.800 1.800 1.800 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.13256E-02 ppm1 2.937 ppm2 2.163 CV 1 ASSI { 2814} (( segid " " and resid 2469 and name HB2 )) (( segid " " and resid 2469 and name H )) 2.300 0.700 0.700 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.86569E-02 ppm1 2.930 ppm2 8.093 CV 1 ASSI { 2815} (( segid " " and resid 2461 and name HB2 )) (( segid " " and resid 2462 and name H )) 2.900 1.100 1.100 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.49658E-02 ppm1 2.948 ppm2 7.982 CV 1 ASSI { 2817} (( segid " " and resid 2461 and name HB3 )) (( segid " " and resid 2461 and name HD22)) 4.100 2.100 1.900 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 3.085 ppm2 7.056 CV 1 ASSI { 2819} (( segid " " and resid 2406 and name HB2 )) (( segid " " and resid 2406 and name HD21)) 2.800 1.000 1.000 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.23045E-02 ppm1 3.084 ppm2 6.906 CV 1 ASSI { 2820} (( segid " " and resid 2406 and name HB3 )) (( segid " " and resid 2406 and name HD21)) 3.400 1.400 1.400 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.14887E-02 ppm1 2.961 ppm2 6.910 CV 1 ASSI { 2821} ( segid " " and resid 2462 and name HB% ) (( segid " " and resid 2462 and name H )) 2.200 0.600 0.600 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.14612E-01 ppm1 1.713 ppm2 7.981 CV 1 ASSI { 2822} ( segid " " and resid 2462 and name HB% ) (( segid " " and resid 2463 and name H )) 2.700 0.900 0.900 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.37421E-02 ppm1 1.714 ppm2 8.247 CV 1 ASSI { 2823} (( segid " " and resid 2463 and name HA )) ( segid " " and resid 2463 and name HG2%) 2.700 0.900 0.900 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.45375E-02 ppm1 3.512 ppm2 1.172 CV 1 ASSI { 2825} (( segid " " and resid 2463 and name HA )) ( segid " " and resid 2462 and name HB% ) 3.600 1.600 1.600 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.96871E-03 ppm1 3.513 ppm2 1.708 CV 1 ASSI { 2826} (( segid " " and resid 2463 and name HA )) ( segid " " and resid 2355 and name HB% ) 2.800 1.000 1.000 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.37523E-02 ppm1 3.512 ppm2 1.603 CV 1 ASSI { 2827} (( segid " " and resid 2463 and name HA )) (( segid " " and resid 2463 and name HB )) 2.600 0.900 0.900 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.45885E-02 ppm1 3.512 ppm2 2.428 CV 1 ASSI { 2828} (( segid " " and resid 2463 and name HA )) (( segid " " and resid 2352 and name HG13)) 3.500 1.500 1.500 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 3.514 ppm2 2.067 CV 1 ASSI { 2830} (( segid " " and resid 2463 and name HA )) (( segid " " and resid 2432 and name HA )) 3.600 1.700 1.700 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 3.514 ppm2 4.023 CV 1 ASSI { 2831} (( segid " " and resid 2463 and name HA )) (( segid " " and resid 2352 and name HA )) 3.000 1.100 1.100 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.20699E-02 ppm1 3.507 ppm2 3.715 CV 1 ASSI { 2832} (( segid " " and resid 2463 and name HA )) (( segid " " and resid 2463 and name H )) 2.500 0.800 0.800 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.47006E-02 ppm1 3.510 ppm2 8.246 CV 1 ASSI { 2833} (( segid " " and resid 2463 and name HA )) (( segid " " and resid 2465 and name H )) 3.200 1.300 1.300 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.19067E-02 ppm1 3.512 ppm2 8.155 CV 1 ASSI { 2835} (( segid " " and resid 2463 and name HB )) (( segid " " and resid 2464 and name H )) 2.400 0.700 0.700 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.50575E-02 ppm1 2.429 ppm2 7.997 CV 1 ASSI { 2836} (( segid " " and resid 2463 and name HB )) (( segid " " and resid 2463 and name H )) 2.700 0.900 0.900 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.38747E-02 ppm1 2.425 ppm2 8.244 CV 1 ASSI { 2839} ( segid " " and resid 2463 and name HG1%) ( segid " " and resid 2463 and name HG2%) 2.600 0.800 0.800 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.37320E-02 ppm1 0.995 ppm2 1.171 CV 1 ASSI { 2842} ( segid " " and resid 2463 and name HG1%) ( segid " " and resid 2432 and name HB% ) 3.700 1.800 1.800 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.93810E-03 ppm1 0.997 ppm2 1.645 CV 1 ASSI { 2843} ( segid " " and resid 2463 and name HG1%) (( segid " " and resid 2463 and name HB )) 2.300 0.700 0.700 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.66787E-02 ppm1 0.995 ppm2 2.427 CV 1 ASSI { 2844} ( segid " " and resid 2463 and name HG1%) (( segid " " and resid 2463 and name HA )) 2.500 0.800 0.800 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.49147E-02 ppm1 0.992 ppm2 3.512 CV 1 ASSI { 2845} ( segid " " and resid 2463 and name HG1%) (( segid " " and resid 2432 and name HA )) 2.600 0.800 0.800 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.47414E-02 ppm1 0.994 ppm2 4.024 CV 1 ASSI { 2847} ( segid " " and resid 2463 and name HG1%) (( segid " " and resid 2352 and name HA )) 3.800 1.800 1.800 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.63219E-03 ppm1 1.000 ppm2 3.712 CV 1 ASSI { 2848} ( segid " " and resid 2463 and name HG1%) (( segid " " and resid 2463 and name H )) 3.900 1.900 1.900 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.18048E-02 ppm1 0.997 ppm2 8.247 CV 1 ASSI { 2849} ( segid " " and resid 2463 and name HG1%) (( segid " " and resid 2435 and name H )) 2.700 2.700 3.300 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.18048E-02 ppm1 0.995 ppm2 8.140 CV 1 ASSI { 2850} ( segid " " and resid 2463 and name HG1%) (( segid " " and resid 2464 and name H )) 3.300 1.400 1.400 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.27225E-02 ppm1 0.994 ppm2 7.997 CV 1 ASSI { 2852} ( segid " " and resid 2463 and name HG2%) (( segid " " and resid 2463 and name H )) 2.400 0.700 0.700 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.37014E-02 ppm1 1.176 ppm2 8.250 CV 1 ASSI { 2853} ( segid " " and resid 2463 and name HG2%) (( segid " " and resid 2356 and name H )) 3.400 1.400 1.400 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.11318E-02 ppm1 1.174 ppm2 9.264 CV 1 ASSI { 2854} ( segid " " and resid 2463 and name HG2%) (( segid " " and resid 2435 and name HB )) 4.100 2.200 1.900 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.46904E-03 ppm1 1.173 ppm2 4.411 CV 1 ASSI { 2855} ( segid " " and resid 2463 and name HG2%) (( segid " " and resid 2436 and name HA )) 3.100 1.200 1.200 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.82591E-03 ppm1 1.168 ppm2 4.176 CV 1 ASSI { 2856} ( segid " " and resid 2463 and name HG2%) (( segid " " and resid 2356 and name HA )) 2.800 1.000 1.000 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.24574E-02 ppm1 1.172 ppm2 4.017 CV 1 ASSI { 2857} ( segid " " and resid 2463 and name HG2%) (( segid " " and resid 2460 and name HA3 )) 4.400 2.400 1.600 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.86670E-03 ppm1 1.172 ppm2 3.810 CV 1 ASSI { 2858} ( segid " " and resid 2463 and name HG2%) (( segid " " and resid 2460 and name HA2 )) 3.100 1.200 1.200 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.91767E-03 ppm1 1.172 ppm2 3.706 CV 1 ASSI { 2860} ( segid " " and resid 2463 and name HG2%) (( segid " " and resid 2463 and name HB )) 2.500 0.800 0.800 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.43947E-02 ppm1 1.173 ppm2 2.429 CV 1 ASSI { 2861} ( segid " " and resid 2463 and name HG2%) ( segid " " and resid 2462 and name HB% ) 4.000 2.000 2.000 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.64238E-03 ppm1 1.169 ppm2 1.705 CV 1 ASSI { 2863} ( segid " " and resid 2463 and name HG2%) ( segid " " and resid 2404 and name HG2%) 3.000 1.100 1.100 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 1.175 ppm2 1.377 CV 1 ASSI { 2865} (( segid " " and resid 2464 and name HA )) ( segid " " and resid 2463 and name HG1%) 3.200 1.300 1.300 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 3.935 ppm2 0.993 CV 1 ASSI { 2867} (( segid " " and resid 2464 and name HA )) (( segid " " and resid 2464 and name HG2 )) 2.700 0.900 0.900 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.47210E-02 ppm1 3.935 ppm2 1.548 CV 1 ASSI { 2868} (( segid " " and resid 2464 and name HA )) (( segid " " and resid 2464 and name HD3 )) 2.600 0.800 0.800 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.32425E-02 ppm1 3.932 ppm2 1.849 CV 1 ASSI { 2869} (( segid " " and resid 2464 and name HA )) (( segid " " and resid 2464 and name HD2 )) 3.000 1.100 1.100 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.28856E-02 ppm1 3.933 ppm2 1.740 CV 1 ASSI { 2870} (( segid " " and resid 2464 and name HA )) (( segid " " and resid 2464 and name HB3 )) 2.400 0.700 0.700 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.99315E-02 ppm1 3.935 ppm2 2.145 CV 1 ASSI { 2871} (( segid " " and resid 2464 and name HA )) (( segid " " and resid 2464 and name HB2 )) 2.000 0.500 0.500 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.12735E-01 ppm1 3.935 ppm2 2.071 CV 1 ASSI { 2872} (( segid " " and resid 2464 and name HA )) (( segid " " and resid 2432 and name HA )) 2.400 0.700 0.700 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.84527E-02 ppm1 3.936 ppm2 4.028 CV 1 ASSI { 2873} (( segid " " and resid 2464 and name HA )) (( segid " " and resid 2465 and name H )) 2.800 1.000 1.000 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.34158E-02 ppm1 3.937 ppm2 8.128 CV 1 ASSI { 2874} (( segid " " and resid 2464 and name HA )) (( segid " " and resid 2464 and name H )) 2.200 0.600 0.600 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.10767E-01 ppm1 3.935 ppm2 7.997 CV 1 ASSI { 2875} (( segid " " and resid 2464 and name HA )) (( segid " " and resid 2468 and name H )) 2.800 1.000 1.000 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.25083E-02 ppm1 3.936 ppm2 8.378 CV 1 ASSI { 2876} (( segid " " and resid 2464 and name HA )) (( segid " " and resid 2467 and name H )) 2.700 0.900 0.900 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.34770E-02 ppm1 3.935 ppm2 8.904 CV 1 ASSI { 2877} (( segid " " and resid 2464 and name HB3 )) (( segid " " and resid 2464 and name H )) 2.300 0.600 0.600 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.88713E-02 ppm1 2.148 ppm2 7.995 CV 1 ASSI { 2878} (( segid " " and resid 2464 and name HB3 )) (( segid " " and resid 2465 and name H )) 2.400 0.700 0.700 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.49147E-02 ppm1 2.147 ppm2 8.129 CV 1 ASSI { 2882} (( segid " " and resid 2464 and name HB3 )) (( segid " " and resid 2464 and name HG2 )) 2.600 0.800 0.800 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.46496E-02 ppm1 2.144 ppm2 1.544 CV 1 ASSI { 2883} (( segid " " and resid 2464 and name HB3 )) (( segid " " and resid 2464 and name HD2 )) 3.300 1.400 1.400 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.16315E-02 ppm1 2.137 ppm2 1.743 CV 1 ASSI { 2884} (( segid " " and resid 2464 and name HB3 )) (( segid " " and resid 2464 and name HD3 )) 3.200 1.300 1.300 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.24472E-02 ppm1 2.134 ppm2 1.830 CV 1 ASSI { 2885} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name H )) 2.600 0.800 0.800 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.33139E-02 ppm1 1.520 ppm2 7.724 CV 1 ASSI { 2888} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name HD3 )) 2.100 0.600 0.600 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.13408E-01 ppm1 1.529 ppm2 1.768 CV 1 OR { 2888} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name HD2 )) ASSI { 2889} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name HB2 )) 2.600 0.800 0.800 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.41602E-02 ppm1 1.518 ppm2 1.893 CV 1 OR { 2889} (( segid " " and resid 2476 and name HG3 )) (( segid " " and resid 2476 and name HB3 )) ASSI { 2892} (( segid " " and resid 2464 and name HG3 )) (( segid " " and resid 2464 and name HB3 )) 2.400 0.700 0.700 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.57509E-02 ppm1 1.610 ppm2 2.151 CV 1 ASSI { 2893} (( segid " " and resid 2464 and name HG3 )) (( segid " " and resid 2464 and name HA )) 2.800 1.000 1.000 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.37931E-02 ppm1 1.607 ppm2 3.939 CV 1 ASSI { 2894} (( segid " " and resid 2476 and name HG2 )) (( segid " " and resid 2476 and name H )) 2.800 1.000 1.000 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.49861E-02 ppm1 1.618 ppm2 7.724 CV 1 ASSI { 2896} (( segid " " and resid 2464 and name HD3 )) (( segid " " and resid 2464 and name HD2 )) 1.500 0.300 0.700 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.38217E-01 ppm1 1.846 ppm2 1.730 CV 1 ASSI { 2897} (( segid " " and resid 2464 and name HD3 )) (( segid " " and resid 2464 and name HG3 )) 2.500 0.800 0.800 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.85551E-02 ppm1 1.845 ppm2 1.612 CV 1 ASSI { 2898} (( segid " " and resid 2464 and name HD3 )) (( segid " " and resid 2464 and name HE2 )) 2.800 1.000 1.000 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.26205E-02 ppm1 1.838 ppm2 3.076 CV 1 OR { 2898} (( segid " " and resid 2464 and name HD3 )) (( segid " " and resid 2464 and name HE3 )) ASSI { 2900} (( segid " " and resid 2465 and name HG3 )) (( segid " " and resid 2466 and name H )) 3.200 1.300 1.300 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.35688E-02 ppm1 1.734 ppm2 7.975 CV 1 ASSI { 2901} (( segid " " and resid 2465 and name HG2 )) (( segid " " and resid 2465 and name H )) 3.000 3.000 3.000 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.47108E-02 ppm1 1.878 ppm2 8.125 CV 1 ASSI { 2902} (( segid " " and resid 2465 and name HG2 )) (( segid " " and resid 2466 and name H )) 2.900 1.000 1.000 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.24574E-02 ppm1 1.880 ppm2 7.980 CV 1 ASSI { 2906} (( segid " " and resid 2465 and name HG2 )) (( segid " " and resid 2465 and name HB3 )) 2.400 0.700 0.700 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.83716E-02 ppm1 1.879 ppm2 1.967 CV 1 OR { 2906} (( segid " " and resid 2465 and name HG2 )) (( segid " " and resid 2465 and name HB2 )) ASSI { 2907} (( segid " " and resid 2465 and name HD3 )) (( segid " " and resid 2465 and name HG2 )) 2.400 0.700 0.700 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.73823E-02 ppm1 3.331 ppm2 1.878 CV 1 OR { 2907} (( segid " " and resid 2465 and name HD2 )) (( segid " " and resid 2465 and name HG2 )) ASSI { 2908} (( segid " " and resid 2326 and name HA )) (( segid " " and resid 2326 and name HG )) 3.300 1.400 1.400 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.13664E-02 ppm1 4.366 ppm2 1.893 CV 1 ASSI { 2909} ( segid " " and resid 2466 and name HB% ) (( segid " " and resid 2463 and name HA )) 2.800 1.000 1.000 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.28245E-02 ppm1 1.570 ppm2 3.513 CV 1 ASSI { 2910} (( segid " " and resid 2468 and name HA )) (( segid " " and resid 2468 and name H )) 2.300 0.700 0.700 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.10156E-01 ppm1 4.474 ppm2 8.380 CV 1 ASSI { 2911} (( segid " " and resid 2468 and name HA )) (( segid " " and resid 2471 and name H )) 2.700 0.900 0.900 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.43845E-02 ppm1 4.474 ppm2 8.234 CV 1 ASSI { 2913} (( segid " " and resid 2468 and name HA )) (( segid " " and resid 2472 and name H )) 3.200 1.300 1.300 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.28142E-02 ppm1 4.472 ppm2 7.968 CV 1 ASSI { 2914} (( segid " " and resid 2468 and name HA )) (( segid " " and resid 2468 and name HB2 )) 2.500 0.800 0.800 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.80963E-02 ppm1 4.472 ppm2 2.976 CV 1 ASSI { 2915} (( segid " " and resid 2468 and name HA )) (( segid " " and resid 2468 and name HB3 )) 2.300 0.600 0.600 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.11002E-01 ppm1 4.472 ppm2 2.710 CV 1 ASSI { 2916} (( segid " " and resid 2468 and name HA )) (( segid " " and resid 2471 and name HB )) 2.300 0.600 0.600 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.85143E-02 ppm1 4.473 ppm2 2.342 CV 1 ASSI { 2919} (( segid " " and resid 2468 and name HB3 )) (( segid " " and resid 2465 and name HB2 )) 4.400 2.500 1.600 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.10808E-02 ppm1 2.700 ppm2 1.957 CV 1 ASSI { 2923} (( segid " " and resid 2468 and name HB3 )) (( segid " " and resid 2468 and name H )) 3.100 1.200 1.200 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.81265E-02 ppm1 2.707 ppm2 8.379 CV 1 ASSI { 2924} (( segid " " and resid 2468 and name HB3 )) (( segid " " and resid 2469 and name H )) 2.700 0.900 0.900 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.55775E-02 ppm1 2.707 ppm2 8.095 CV 1 ASSI { 2925} (( segid " " and resid 2468 and name HB3 )) (( segid " " and resid 2472 and name H )) 3.400 1.400 1.400 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.12236E-02 ppm1 2.710 ppm2 7.969 CV 1 ASSI { 2926} (( segid " " and resid 2468 and name HB2 )) (( segid " " and resid 2468 and name H )) 2.000 0.500 0.500 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.12287E-01 ppm1 2.976 ppm2 8.379 CV 1 ASSI { 2927} (( segid " " and resid 2468 and name HB2 )) (( segid " " and resid 2469 and name H )) 2.400 0.700 0.700 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.74024E-02 ppm1 2.975 ppm2 8.096 CV 1 ASSI { 2928} (( segid " " and resid 2468 and name HB2 )) (( segid " " and resid 2467 and name H )) 4.100 2.100 1.900 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.11114E-02 ppm1 2.971 ppm2 8.904 CV 1 ASSI { 2930} (( segid " " and resid 2468 and name HB2 )) (( segid " " and resid 2465 and name HA )) 2.300 0.700 0.700 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.60976E-02 ppm1 2.975 ppm2 4.217 CV 1 ASSI { 2932} (( segid " " and resid 2468 and name HB2 )) (( segid " " and resid 2465 and name HB2 )) 3.800 1.800 1.800 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.13765E-02 ppm1 2.970 ppm2 1.980 CV 1 ASSI { 2933} (( segid " " and resid 2468 and name HB2 )) (( segid " " and resid 2465 and name HG3 )) 3.600 1.600 1.600 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 2.975 ppm2 1.744 CV 1 ASSI { 2935} (( segid " " and resid 2469 and name HB2 )) (( segid " " and resid 2469 and name HB3 )) 1.700 0.300 0.500 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.25869E-01 ppm1 2.937 ppm2 3.126 CV 1 ASSI { 2936} (( segid " " and resid 2469 and name HB3 )) ( segid " " and resid 2466 and name HB% ) 3.800 1.800 1.800 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.85652E-03 ppm1 3.138 ppm2 1.575 CV 1 ASSI { 2940} (( segid " " and resid 2469 and name HB3 )) (( segid " " and resid 2469 and name HD21)) 2.700 0.900 0.900 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.18048E-02 ppm1 3.141 ppm2 6.856 CV 1 ASSI { 2942} (( segid " " and resid 2469 and name HB3 )) (( segid " " and resid 2469 and name HD22)) 3.800 1.800 1.800 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.21821E-02 ppm1 3.137 ppm2 7.799 CV 1 ASSI { 2943} (( segid " " and resid 2470 and name HA )) (( segid " " and resid 2470 and name H )) 2.400 0.700 0.700 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.63830E-02 ppm1 4.077 ppm2 8.089 CV 1 ASSI { 2944} (( segid " " and resid 2470 and name HA )) (( segid " " and resid 2473 and name H )) 2.900 1.000 1.000 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.25594E-02 ppm1 4.079 ppm2 7.932 CV 1 ASSI { 2945} (( segid " " and resid 2470 and name HA )) ( segid " " and resid 2470 and name HD2%) 3.800 1.800 1.800 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.20087E-02 ppm1 4.081 ppm2 0.998 CV 1 ASSI { 2946} (( segid " " and resid 2438 and name HB2 )) (( segid " " and resid 2435 and name HA )) 2.900 1.100 1.100 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.20087E-02 ppm1 2.150 ppm2 3.797 CV 1 ASSI { 2947} (( segid " " and resid 2470 and name HB2 )) (( segid " " and resid 2470 and name HA )) 2.600 0.800 0.800 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.37014E-02 ppm1 1.781 ppm2 4.082 CV 1 ASSI { 2949} (( segid " " and resid 2470 and name HG )) (( segid " " and resid 2470 and name HB3 )) 2.200 0.600 0.600 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.69644E-02 ppm1 1.774 ppm2 2.164 CV 1 ASSI { 2950} (( segid " " and resid 2470 and name HG )) ( segid " " and resid 2470 and name HD1%) 2.800 1.000 1.000 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.16824E-02 ppm1 1.788 ppm2 1.063 CV 1 ASSI { 2951} (( segid " " and resid 2470 and name HG )) (( segid " " and resid 2470 and name H )) 3.400 1.500 1.500 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.34669E-02 ppm1 1.773 ppm2 8.094 CV 1 ASSI { 2953} ( segid " " and resid 2470 and name HD1%) (( segid " " and resid 2349 and name H )) 3.000 1.100 1.100 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.22229E-02 ppm1 1.070 ppm2 8.876 CV 1 ASSI { 2954} ( segid " " and resid 2470 and name HD1%) (( segid " " and resid 2470 and name H )) 3.400 1.400 1.400 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.25389E-02 ppm1 1.068 ppm2 8.099 CV 1 ASSI { 2955} ( segid " " and resid 2470 and name HD1%) (( segid " " and resid 2345 and name HA )) 2.400 0.700 0.700 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.33955E-02 ppm1 1.069 ppm2 3.680 CV 1 ASSI { 2959} ( segid " " and resid 2470 and name HD1%) (( segid " " and resid 2470 and name HB3 )) 3.300 1.300 1.300 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.32323E-02 ppm1 1.075 ppm2 2.162 CV 1 ASSI { 2960} ( segid " " and resid 2470 and name HD2%) (( segid " " and resid 2470 and name H )) 2.600 2.600 3.400 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.24778E-02 ppm1 1.010 ppm2 8.093 CV 1 ASSI { 2961} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2474 and name H )) 2.800 1.000 1.000 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.27531E-02 ppm1 3.461 ppm2 8.645 CV 1 ASSI { 2962} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2471 and name H )) 2.400 0.700 0.700 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.62913E-02 ppm1 3.463 ppm2 8.234 CV 1 ASSI { 2963} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2475 and name H )) 3.300 1.300 1.300 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.17538E-02 ppm1 3.461 ppm2 8.104 CV 1 ASSI { 2965} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2474 and name HA )) 4.000 2.000 2.000 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 3.452 ppm2 4.243 CV 1 ASSI { 2966} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2472 and name HA )) 3.500 1.600 1.600 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 3.467 ppm2 4.141 CV 1 ASSI { 2971} (( segid " " and resid 2471 and name HA )) ( segid " " and resid 2428 and name HB% ) 3.800 1.800 1.800 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.74433E-03 ppm1 3.465 ppm2 1.672 CV 1 ASSI { 2972} (( segid " " and resid 2471 and name HA )) ( segid " " and resid 2474 and name HB% ) 2.800 0.900 0.900 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.29672E-02 ppm1 3.463 ppm2 1.572 CV 1 ASSI { 2973} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2471 and name HB )) 2.600 0.800 0.800 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.48026E-02 ppm1 3.464 ppm2 2.340 CV 1 ASSI { 2974} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2470 and name HB3 )) 3.200 1.300 1.300 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 3.454 ppm2 2.170 CV 1 ASSI { 2975} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2475 and name HG3 )) 3.400 1.500 1.500 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.96871E-03 ppm1 3.465 ppm2 2.709 CV 1 ASSI { 2976} (( segid " " and resid 2471 and name HA )) (( segid " " and resid 2475 and name HG2 )) 3.900 1.900 1.900 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 3.464 ppm2 2.466 CV 1 ASSI { 2979} (( segid " " and resid 2471 and name HB )) (( segid " " and resid 2472 and name H )) 2.300 0.700 0.700 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.48739E-02 ppm1 2.339 ppm2 7.960 CV 1 ASSI { 2980} (( segid " " and resid 2471 and name HB )) (( segid " " and resid 2471 and name H )) 2.300 0.700 0.700 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.68827E-02 ppm1 2.341 ppm2 8.235 CV 1 ASSI { 2981} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2472 and name H )) 3.000 1.100 1.100 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.28245E-02 ppm1 1.017 ppm2 7.959 CV 1 ASSI { 2982} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2471 and name H )) 3.500 1.500 1.500 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.34872E-02 ppm1 1.019 ppm2 8.230 CV 1 ASSI { 2984} ( segid " " and resid 2303 and name HG1%) (( segid " " and resid 2304 and name H )) 3.100 1.200 1.200 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.25594E-02 ppm1 1.022 ppm2 7.713 CV 1 ASSI { 2985} ( segid " " and resid 2303 and name HG1%) (( segid " " and resid 2307 and name HD21)) 3.300 1.400 1.400 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 1.020 ppm2 7.623 CV 1 ASSI { 2986} ( segid " " and resid 2303 and name HG1%) (( segid " " and resid 2303 and name H )) 3.600 1.700 1.700 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.23452E-02 ppm1 1.022 ppm2 7.536 CV 1 ASSI { 2988} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2475 and name HE22)) 3.900 1.900 1.900 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 1.009 ppm2 7.263 CV 1 ASSI { 2989} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2475 and name HE21)) 3.000 1.200 1.200 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 1.020 ppm2 6.767 CV 1 ASSI { 2990} ( segid " " and resid 2303 and name HG1%) (( segid " " and resid 2307 and name HD22)) 3.100 1.200 1.200 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 1.021 ppm2 6.908 CV 1 ASSI { 2991} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2471 and name HA )) 2.500 0.800 0.800 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.58630E-02 ppm1 1.015 ppm2 3.463 CV 1 ASSI { 2992} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2472 and name HA )) 2.900 1.100 1.100 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.23452E-02 ppm1 1.020 ppm2 4.127 CV 1 ASSI { 2993} ( segid " " and resid 2303 and name HG1%) (( segid " " and resid 2303 and name HA )) 2.500 0.800 0.800 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.79537E-02 ppm1 1.023 ppm2 3.999 CV 1 ASSI { 3000} ( segid " " and resid 2471 and name HG1%) ( segid " " and resid 2428 and name HB% ) 4.300 2.300 1.700 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.83609E-03 ppm1 1.022 ppm2 1.682 CV 1 ASSI { 3002} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2472 and name HB2 )) 3.700 1.700 1.700 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 1.015 ppm2 1.981 CV 1 ASSI { 3004} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2429 and name HG3 )) 3.100 1.200 1.200 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.10706E-02 ppm1 1.226 ppm2 1.791 CV 1 ASSI { 3005} ( segid " " and resid 2471 and name HG2%) ( segid " " and resid 2428 and name HB% ) 2.800 1.000 1.000 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.26307E-02 ppm1 1.226 ppm2 1.674 CV 1 ASSI { 3007} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2471 and name HB )) 2.300 0.600 0.600 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.79637E-02 ppm1 1.226 ppm2 2.341 CV 1 ASSI { 3008} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2470 and name HB3 )) 3.300 1.300 1.300 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 1.223 ppm2 2.157 CV 1 ASSI { 3011} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2471 and name HA )) 2.300 0.700 0.700 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.75759E-02 ppm1 1.225 ppm2 3.464 CV 1 ASSI { 3012} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2468 and name HA )) 3.000 1.100 1.100 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 1.224 ppm2 4.472 CV 1 ASSI { 3013} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2429 and name HA )) 3.500 1.500 1.500 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.13765E-02 ppm1 1.227 ppm2 4.103 CV 1 ASSI { 3014} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2428 and name HA )) 2.700 2.700 3.300 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.16926E-02 ppm1 1.224 ppm2 4.049 CV 1 ASSI { 3016} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2471 and name H )) 2.300 0.700 0.700 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.77594E-02 ppm1 1.225 ppm2 8.234 CV 1 ASSI { 3017} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2470 and name H )) 4.000 2.000 2.000 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.11726E-02 ppm1 1.225 ppm2 8.087 CV 1 ASSI { 3018} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2472 and name H )) 3.900 1.900 1.900 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.20699E-02 ppm1 1.226 ppm2 7.958 CV 1 ASSI { 3020} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2475 and name H )) 2.800 1.000 1.000 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.37728E-02 ppm1 4.138 ppm2 8.120 CV 1 ASSI { 3021} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2472 and name HG3 )) 3.000 1.100 1.100 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.18966E-02 ppm1 4.142 ppm2 1.775 CV 1 OR { 3021} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2472 and name HG2 )) ASSI { 3022} (( segid " " and resid 2472 and name HA )) (( segid " " and resid 2472 and name HD3 )) 2.300 0.700 0.700 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.79128E-02 ppm1 4.143 ppm2 1.546 CV 1 ASSI { 3026} (( segid " " and resid 2472 and name HD2 )) (( segid " " and resid 2472 and name HD3 )) 1.600 0.300 0.600 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.21851E-01 ppm1 1.721 ppm2 1.528 CV 1 ASSI { 3027} (( segid " " and resid 2474 and name HA )) (( segid " " and resid 2474 and name H )) 2.400 0.700 0.700 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.69135E-02 ppm1 4.237 ppm2 8.650 CV 1 ASSI { 3028} (( segid " " and resid 2474 and name HA )) (( segid " " and resid 2477 and name H )) 2.800 1.000 1.000 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.23962E-02 ppm1 4.232 ppm2 7.700 CV 1 ASSI { 3032} (( segid " " and resid 2474 and name HA )) ( segid " " and resid 2424 and name HD2%) 3.300 1.400 1.400 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.14377E-02 ppm1 4.238 ppm2 1.000 CV 1 ASSI { 3036} (( segid " " and resid 2475 and name HA )) ( segid " " and resid 2480 and name HE% ) 3.200 1.300 1.300 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.13765E-02 ppm1 4.173 ppm2 7.403 CV 1 ASSI { 3037} (( segid " " and resid 2475 and name HA )) (( segid " " and resid 2475 and name HE21)) 3.700 1.700 1.700 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.23452E-02 ppm1 4.173 ppm2 6.773 CV 1 ASSI { 3039} (( segid " " and resid 2475 and name HA )) (( segid " " and resid 2475 and name HG2 )) 2.200 0.600 0.600 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.98498E-02 ppm1 4.170 ppm2 2.475 CV 1 ASSI { 3040} (( segid " " and resid 2475 and name HA )) (( segid " " and resid 2475 and name HB2 )) 2.600 0.800 0.800 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.92484E-02 ppm1 4.169 ppm2 2.287 CV 1 ASSI { 3041} (( segid " " and resid 2475 and name HA )) (( segid " " and resid 2475 and name HB3 )) 2.100 0.600 0.600 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.13154E-01 ppm1 4.169 ppm2 2.178 CV 1 ASSI { 3044} (( segid " " and resid 2344 and name HB2 )) (( segid " " and resid 2345 and name HG12)) 2.800 1.000 1.000 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.22534E-02 ppm1 2.292 ppm2 1.010 CV 1 ASSI { 3048} (( segid " " and resid 2475 and name HB2 )) (( segid " " and resid 2476 and name H )) 2.700 0.900 0.900 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.23962E-02 ppm1 2.294 ppm2 7.724 CV 1 ASSI { 3049} (( segid " " and resid 2475 and name HB2 )) (( segid " " and resid 2475 and name H )) 2.200 0.600 0.600 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.85243E-02 ppm1 2.289 ppm2 8.109 CV 1 ASSI { 3054} (( segid " " and resid 2475 and name HG3 )) ( segid " " and resid 2474 and name HB% ) 3.800 1.800 1.800 peak 3054 spectrum 1 weight 0.10000E+01 volume 0.63219E-03 ppm1 2.724 ppm2 1.574 CV 1 ASSI { 3055} (( segid " " and resid 2475 and name HG3 )) (( segid " " and resid 2475 and name HB2 )) 2.100 0.600 0.600 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.95337E-02 ppm1 2.724 ppm2 2.287 CV 1 ASSI { 3056} (( segid " " and resid 2475 and name HG3 )) (( segid " " and resid 2475 and name HB3 )) 2.700 0.900 0.900 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.77186E-02 ppm1 2.726 ppm2 2.178 CV 1 ASSI { 3057} (( segid " " and resid 2475 and name HG3 )) (( segid " " and resid 2475 and name HG2 )) 1.500 0.300 0.700 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.36116E-01 ppm1 2.726 ppm2 2.477 CV 1 ASSI { 3058} (( segid " " and resid 2475 and name HG3 )) (( segid " " and resid 2475 and name HA )) 2.700 0.900 0.900 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.70970E-02 ppm1 2.724 ppm2 4.166 CV 1 ASSI { 3059} (( segid " " and resid 2475 and name HG3 )) (( segid " " and resid 2475 and name HE21)) 2.800 1.000 1.000 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.16824E-02 ppm1 2.725 ppm2 6.763 CV 1 ASSI { 3060} (( segid " " and resid 2475 and name HG3 )) (( segid " " and resid 2475 and name HE22)) 3.700 1.700 1.700 peak 3060 spectrum 1 weight 0.10000E+01 volume 0.19475E-02 ppm1 2.730 ppm2 7.262 CV 1 ASSI { 3061} (( segid " " and resid 2475 and name HG3 )) (( segid " " and resid 2475 and name H )) 2.000 0.500 0.500 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.88606E-02 ppm1 2.724 ppm2 8.112 CV 1 ASSI { 3062} (( segid " " and resid 2475 and name HG2 )) (( segid " " and resid 2475 and name HE22)) 3.300 1.400 1.400 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.36198E-02 ppm1 2.478 ppm2 7.260 CV 1 ASSI { 3064} (( segid " " and resid 2475 and name HG2 )) (( segid " " and resid 2475 and name H )) 3.000 1.100 1.100 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.61485E-02 ppm1 2.478 ppm2 8.112 CV 1 ASSI { 3067} (( segid " " and resid 2475 and name HG2 )) (( segid " " and resid 2475 and name HB3 )) 2.100 0.500 0.500 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.13623E-01 ppm1 2.468 ppm2 2.179 CV 1 ASSI { 3068} (( segid " " and resid 2475 and name HG2 )) (( segid " " and resid 2475 and name HB2 )) 2.500 0.800 0.800 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.13714E-01 ppm1 2.474 ppm2 2.284 CV 1 ASSI { 3069} (( segid " " and resid 2475 and name HG2 )) ( segid " " and resid 2471 and name HG1%) 4.100 2.200 1.900 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.48944E-03 ppm1 2.467 ppm2 1.022 CV 1 ASSI { 3070} (( segid " " and resid 2476 and name HA )) (( segid " " and resid 2476 and name HG2 )) 2.500 0.800 0.800 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.47516E-02 ppm1 4.218 ppm2 1.611 CV 1 ASSI { 3072} (( segid " " and resid 2448 and name HA )) (( segid " " and resid 2453 and name HG3 )) 2.700 0.900 0.900 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.28856E-02 ppm1 4.191 ppm2 2.712 CV 1 ASSI { 3073} (( segid " " and resid 2476 and name HA )) (( segid " " and resid 2476 and name HE2 )) 4.100 2.100 1.900 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.90749E-03 ppm1 4.217 ppm2 3.050 CV 1 OR { 3073} (( segid " " and resid 2476 and name HA )) (( segid " " and resid 2476 and name HE3 )) ASSI { 3074} (( segid " " and resid 2448 and name HA )) (( segid " " and resid 2447 and name HA )) 3.300 1.400 1.400 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.29672E-02 ppm1 4.188 ppm2 4.681 CV 1 ASSI { 3077} (( segid " " and resid 2476 and name HB2 )) (( segid " " and resid 2476 and name HE2 )) 4.100 2.100 1.900 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.47924E-03 ppm1 1.892 ppm2 3.041 CV 1 OR { 3077} (( segid " " and resid 2476 and name HB2 )) (( segid " " and resid 2476 and name HE3 )) OR { 3077} (( segid " " and resid 2476 and name HB3 )) (( segid " " and resid 2476 and name HE2 )) OR { 3077} (( segid " " and resid 2476 and name HB3 )) (( segid " " and resid 2476 and name HE3 )) ASSI { 3083} ( segid " " and resid 2477 and name HB% ) (( segid " " and resid 2477 and name H )) 2.300 0.700 0.700 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.88914E-02 ppm1 1.293 ppm2 7.687 CV 1 ASSI { 3084} ( segid " " and resid 2477 and name HB% ) ( segid " " and resid 2341 and name HE% ) 3.800 1.800 1.800 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.54042E-03 ppm1 1.292 ppm2 7.334 CV 1 OR { 3084} ( segid " " and resid 2477 and name HB% ) ( segid " " and resid 2341 and name HD% ) ASSI { 3085} ( segid " " and resid 2477 and name HB% ) (( segid " " and resid 2341 and name HZ )) 3.600 1.600 1.600 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.76476E-03 ppm1 1.292 ppm2 7.184 CV 1 ASSI { 3087} ( segid " " and resid 2477 and name HB% ) (( segid " " and resid 2474 and name HA )) 2.700 0.900 0.900 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 1.294 ppm2 4.240 CV 1 ASSI { 3089} ( segid " " and resid 2477 and name HB% ) (( segid " " and resid 2341 and name HB3 )) 3.900 1.900 1.900 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.64238E-03 ppm1 1.289 ppm2 3.343 CV 1 ASSI { 3090} ( segid " " and resid 2477 and name HB% ) (( segid " " and resid 2421 and name HG3 )) 3.600 1.600 1.600 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.73415E-03 ppm1 1.295 ppm2 2.437 CV 1 OR { 3090} ( segid " " and resid 2477 and name HB% ) (( segid " " and resid 2421 and name HG2 )) ASSI { 3091} ( segid " " and resid 2477 and name HB% ) (( segid " " and resid 2421 and name HB2 )) 3.600 1.600 1.600 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.13459E-02 ppm1 1.294 ppm2 2.127 CV 1 ASSI { 3092} ( segid " " and resid 2477 and name HB% ) ( segid " " and resid 2474 and name HB% ) 3.200 1.300 1.300 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.71379E-03 ppm1 1.293 ppm2 1.582 CV 1 ASSI { 3093} ( segid " " and resid 2477 and name HB% ) ( segid " " and resid 2419 and name HB% ) 3.100 1.200 1.200 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.79537E-03 ppm1 1.297 ppm2 1.528 CV 1 ASSI { 3095} ( segid " " and resid 2477 and name HB% ) ( segid " " and resid 2424 and name HD2%) 3.200 1.300 1.300 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 1.291 ppm2 0.994 CV 1 ASSI { 3097} (( segid " " and resid 2477 and name HA )) (( segid " " and resid 2477 and name H )) 2.300 0.700 0.700 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.10900E-01 ppm1 3.941 ppm2 7.687 CV 1 ASSI { 3098} (( segid " " and resid 2477 and name HA )) (( segid " " and resid 2478 and name H )) 2.300 0.700 0.700 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.10777E-01 ppm1 3.942 ppm2 7.807 CV 1 ASSI { 3099} (( segid " " and resid 2477 and name HA )) ( segid " " and resid 2341 and name HD% ) 4.200 2.200 1.800 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.78512E-03 ppm1 3.942 ppm2 7.338 CV 1 OR { 3099} (( segid " " and resid 2477 and name HA )) ( segid " " and resid 2341 and name HE% ) ASSI { 3100} (( segid " " and resid 2477 and name HA )) (( segid " " and resid 2478 and name HA )) 3.100 1.200 1.200 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 3.944 ppm2 4.254 CV 1 ASSI { 3101} ( segid " " and resid 2478 and name HB% ) (( segid " " and resid 2475 and name HA )) 2.900 1.000 1.000 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 1.412 ppm2 4.172 CV 1 ASSI { 3103} (( segid " " and resid 2479 and name HA )) (( segid " " and resid 2480 and name H )) 2.300 0.700 0.700 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.89322E-02 ppm1 4.323 ppm2 7.947 CV 1 ASSI { 3104} (( segid " " and resid 2479 and name HA )) (( segid " " and resid 2479 and name H )) 2.300 0.700 0.700 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.87179E-02 ppm1 4.324 ppm2 7.811 CV 1 ASSI { 3105} (( segid " " and resid 2479 and name HA )) ( segid " " and resid 2479 and name HB% ) 2.400 0.700 0.700 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.85853E-02 ppm1 4.323 ppm2 1.331 CV 1 ASSI { 3107} ( segid " " and resid 2479 and name HB% ) (( segid " " and resid 2480 and name H )) 3.600 1.600 1.600 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.23554E-02 ppm1 1.333 ppm2 7.943 CV 1 ASSI { 3108} ( segid " " and resid 2479 and name HB% ) (( segid " " and resid 2479 and name H )) 2.600 0.900 0.900 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.60058E-02 ppm1 1.330 ppm2 7.811 CV 1 ASSI { 3109} (( segid " " and resid 2480 and name HA )) ( segid " " and resid 2480 and name HD% ) 2.900 1.100 1.100 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.30896E-02 ppm1 4.741 ppm2 7.353 CV 1 ASSI { 3110} (( segid " " and resid 2480 and name HA )) (( segid " " and resid 2481 and name H )) 2.300 0.700 0.700 peak 3110 spectrum 1 weight 0.10000E+01 volume 0.96763E-02 ppm1 4.741 ppm2 8.151 CV 1 ASSI { 3114} (( segid " " and resid 2480 and name HB3 )) (( segid " " and resid 2480 and name HB2 )) 1.500 0.300 0.700 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.53185E-01 ppm1 3.325 ppm2 3.085 CV 1 ASSI { 3116} (( segid " " and resid 2480 and name HB3 )) ( segid " " and resid 2480 and name HD% ) 3.000 1.100 1.100 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.25389E-02 ppm1 3.326 ppm2 7.352 CV 1 ASSI { 3117} (( segid " " and resid 2480 and name HB3 )) (( segid " " and resid 2480 and name H )) 3.200 1.300 1.300 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.44763E-02 ppm1 3.320 ppm2 7.953 CV 1 ASSI { 3120} (( segid " " and resid 2480 and name HB2 )) ( segid " " and resid 2480 and name HD% ) 2.800 1.000 1.000 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.29468E-02 ppm1 3.083 ppm2 7.348 CV 1 ASSI { 3121} (( segid " " and resid 2480 and name HB2 )) (( segid " " and resid 2480 and name H )) 2.300 0.700 0.700 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.72296E-02 ppm1 3.083 ppm2 7.950 CV 1 ASSI { 3122} (( segid " " and resid 2481 and name HA )) (( segid " " and resid 2482 and name H )) 2.000 0.500 0.500 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.18395E-01 ppm1 4.445 ppm2 7.955 CV 1 ASSI { 3123} (( segid " " and resid 2481 and name HA )) (( segid " " and resid 2481 and name H )) 2.600 0.800 0.800 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.56489E-02 ppm1 4.445 ppm2 8.153 CV 1 ASSI { 3124} (( segid " " and resid 2481 and name HA )) (( segid " " and resid 2481 and name HB3 )) 2.600 0.900 0.900 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.48026E-02 ppm1 4.445 ppm2 2.175 CV 1 OR { 3124} (( segid " " and resid 2481 and name HA )) (( segid " " and resid 2481 and name HG3 )) ASSI { 3125} (( segid " " and resid 2481 and name HA )) (( segid " " and resid 2481 and name HB2 )) 3.000 1.100 1.100 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.27531E-02 ppm1 4.442 ppm2 2.002 CV 1 OR { 3125} (( segid " " and resid 2481 and name HA )) (( segid " " and resid 2481 and name HG2 )) ASSI { 3127} (( segid " " and resid 2481 and name HB2 )) (( segid " " and resid 2481 and name H )) 2.600 0.900 0.900 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.43234E-02 ppm1 1.998 ppm2 8.146 CV 1 ASSI { 3128} (( segid " " and resid 2481 and name HB3 )) (( segid " " and resid 2481 and name H )) 3.300 1.300 1.300 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.20189E-02 ppm1 2.169 ppm2 8.159 CV 1 ASSI { 3131} (( segid " " and resid 2482 and name HB2 )) (( segid " " and resid 2482 and name H )) 2.900 1.000 1.000 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.33343E-02 ppm1 2.657 ppm2 7.952 CV 1 ASSI { 3132} (( segid " " and resid 2482 and name HB2 )) (( segid " " and resid 2482 and name HB3 )) 1.300 0.200 0.900 peak 3132 spectrum 1 weight 0.10000E+01 volume 0.19078E+00 ppm1 2.664 ppm2 2.762 CV 1 ASSI { 3135} (( segid " " and resid 2300 and name HB2 )) (( segid " " and resid 2300 and name HB3 )) 1.600 0.300 0.600 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.32680E-01 ppm1 2.774 ppm2 2.935 CV 1 ASSI { 3140} (( segid " " and resid 2300 and name HA )) (( segid " " and resid 2300 and name H )) 2.600 0.800 0.800 peak 3140 spectrum 1 weight 0.10000E+01 volume 0.41398E-02 ppm1 4.949 ppm2 8.075 CV 1 ASSI { 3141} (( segid " " and resid 2296 and name HA )) (( segid " " and resid 2297 and name HD3 )) 1.800 0.400 0.400 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.31946E-01 ppm1 4.975 ppm2 3.940 CV 1 ASSI { 3142} (( segid " " and resid 2296 and name HA )) (( segid " " and resid 2297 and name HD2 )) 1.900 0.500 0.500 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.26369E-01 ppm1 4.975 ppm2 3.825 CV 1 ASSI { 3147} (( segid " " and resid 2385 and name HB3 )) (( segid " " and resid 2385 and name H )) 2.600 0.800 0.800 peak 3147 spectrum 1 weight 0.10000E+01 volume 0.58936E-02 ppm1 2.820 ppm2 8.136 CV 1 OR { 3147} (( segid " " and resid 2385 and name HB2 )) (( segid " " and resid 2385 and name H )) ASSI { 3149} (( segid " " and resid 2296 and name HB3 )) (( segid " " and resid 2296 and name HB2 )) 1.600 0.300 0.600 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.42377E-01 ppm1 2.831 ppm2 2.650 CV 1 ASSI { 3150} (( segid " " and resid 2297 and name HA )) (( segid " " and resid 2297 and name HG3 )) 3.700 1.700 1.700 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.24472E-02 ppm1 4.423 ppm2 1.831 CV 1 ASSI { 3151} (( segid " " and resid 2297 and name HA )) (( segid " " and resid 2297 and name HB2 )) 2.500 0.800 0.800 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.89121E-02 ppm1 4.425 ppm2 1.714 CV 1 ASSI { 3152} (( segid " " and resid 2297 and name HA )) (( segid " " and resid 2297 and name HB3 )) 1.900 0.400 0.400 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.26093E-01 ppm1 4.426 ppm2 2.240 CV 1 ASSI { 3155} (( segid " " and resid 2297 and name HB3 )) (( segid " " and resid 2297 and name HD2 )) 3.800 1.800 1.800 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.16416E-02 ppm1 2.235 ppm2 3.825 CV 1 ASSI { 3157} (( segid " " and resid 2297 and name HB2 )) (( segid " " and resid 2297 and name HG3 )) 2.300 0.700 0.700 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.13164E-01 ppm1 1.713 ppm2 1.813 CV 1 ASSI { 3158} (( segid " " and resid 2297 and name HB2 )) (( segid " " and resid 2297 and name HG2 )) 2.400 0.700 0.700 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.49352E-02 ppm1 1.708 ppm2 1.997 CV 1 ASSI { 3171} (( segid " " and resid 2297 and name HD2 )) (( segid " " and resid 2298 and name H )) 2.700 0.900 0.900 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.32935E-02 ppm1 3.820 ppm2 8.184 CV 1 ASSI { 3173} (( segid " " and resid 2297 and name HD2 )) (( segid " " and resid 2297 and name HA )) 3.600 1.600 1.600 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.14785E-02 ppm1 3.819 ppm2 4.420 CV 1 ASSI { 3174} (( segid " " and resid 2297 and name HD2 )) (( segid " " and resid 2297 and name HD3 )) 1.300 0.200 0.900 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.11011E+00 ppm1 3.824 ppm2 3.940 CV 1 ASSI { 3175} (( segid " " and resid 2297 and name HD2 )) (( segid " " and resid 2296 and name HB3 )) 2.900 1.100 1.100 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.34770E-02 ppm1 3.820 ppm2 2.830 CV 1 ASSI { 3178} (( segid " " and resid 2297 and name HD2 )) (( segid " " and resid 2297 and name HG2 )) 2.200 0.600 0.600 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.79537E-02 ppm1 3.824 ppm2 1.991 CV 1 ASSI { 3179} (( segid " " and resid 2297 and name HD2 )) (( segid " " and resid 2297 and name HG3 )) 2.400 0.700 0.700 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.10410E-01 ppm1 3.824 ppm2 1.814 CV 1 ASSI { 3180} (( segid " " and resid 2297 and name HD2 )) (( segid " " and resid 2297 and name HB2 )) 3.500 1.500 1.500 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.35586E-02 ppm1 3.823 ppm2 1.714 CV 1 ASSI { 3181} (( segid " " and resid 2297 and name HD3 )) (( segid " " and resid 2297 and name HG3 )) 2.200 0.600 0.600 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.65360E-02 ppm1 3.941 ppm2 1.815 CV 1 ASSI { 3182} (( segid " " and resid 2297 and name HD3 )) (( segid " " and resid 2297 and name HB2 )) 3.700 1.700 1.700 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.21617E-02 ppm1 3.949 ppm2 1.712 CV 1 ASSI { 3183} (( segid " " and resid 2297 and name HD3 )) (( segid " " and resid 2297 and name HG2 )) 2.600 0.800 0.800 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.11339E-01 ppm1 3.942 ppm2 1.991 CV 1 ASSI { 3185} (( segid " " and resid 2297 and name HD3 )) (( segid " " and resid 2296 and name HB2 )) 3.900 1.900 1.900 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.19475E-02 ppm1 3.942 ppm2 2.647 CV 1 ASSI { 3191} (( segid " " and resid 2298 and name HA )) (( segid " " and resid 2299 and name H )) 2.500 0.800 0.800 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.59038E-02 ppm1 4.689 ppm2 7.828 CV 1 ASSI { 3195} (( segid " " and resid 2298 and name HB3 )) (( segid " " and resid 2298 and name H )) 3.100 1.200 1.200 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.33955E-02 ppm1 3.303 ppm2 8.192 CV 1 ASSI { 3196} (( segid " " and resid 2298 and name HB3 )) ( segid " " and resid 2298 and name HD% ) 3.000 1.100 1.100 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.21719E-02 ppm1 3.297 ppm2 7.398 CV 1 ASSI { 3201} (( segid " " and resid 2299 and name HA )) (( segid " " and resid 2299 and name HB )) 2.000 0.500 0.500 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.22432E-01 ppm1 4.373 ppm2 4.226 CV 1 ASSI { 3202} (( segid " " and resid 2299 and name HA )) (( segid " " and resid 2300 and name H )) 2.100 0.600 0.600 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.15641E-01 ppm1 4.372 ppm2 8.073 CV 1 ASSI { 3203} (( segid " " and resid 2299 and name HA )) (( segid " " and resid 2299 and name H )) 2.600 0.900 0.900 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.42723E-02 ppm1 4.371 ppm2 7.834 CV 1 ASSI { 3209} (( segid " " and resid 2300 and name HA )) (( segid " " and resid 2300 and name HB2 )) 2.400 0.700 0.700 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.87795E-02 ppm1 4.949 ppm2 2.774 CV 1 ASSI { 3210} (( segid " " and resid 2300 and name HA )) (( segid " " and resid 2301 and name HG2 )) 3.400 1.500 1.500 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.45885E-02 ppm1 4.948 ppm2 2.190 CV 1 ASSI { 3212} (( segid " " and resid 2300 and name HB3 )) (( segid " " and resid 2303 and name HB )) 2.900 1.100 1.100 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.48230E-02 ppm1 2.938 ppm2 2.316 CV 1 ASSI { 3215} (( segid " " and resid 2300 and name HB3 )) (( segid " " and resid 2303 and name H )) 2.800 1.000 1.000 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.25594E-02 ppm1 2.934 ppm2 7.536 CV 1 ASSI { 3217} (( segid " " and resid 2300 and name HB2 )) (( segid " " and resid 2300 and name H )) 2.400 2.400 3.600 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.51289E-02 ppm1 2.770 ppm2 8.074 CV 1 ASSI { 3218} (( segid " " and resid 2300 and name HB2 )) (( segid " " and resid 2303 and name H )) 3.200 1.200 1.200 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 2.757 ppm2 7.543 CV 1 ASSI { 3219} (( segid " " and resid 2301 and name HG3 )) (( segid " " and resid 2301 and name HD2 )) 2.300 0.700 0.700 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.10767E-01 ppm1 2.091 ppm2 3.904 CV 1 ASSI { 3220} (( segid " " and resid 2302 and name HA )) (( segid " " and resid 2302 and name H )) 2.500 0.800 0.800 peak 3220 spectrum 1 weight 0.10000E+01 volume 0.46088E-02 ppm1 4.219 ppm2 8.523 CV 1 ASSI { 3221} (( segid " " and resid 2302 and name HA )) (( segid " " and resid 2303 and name H )) 3.100 1.200 1.200 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 4.222 ppm2 7.532 CV 1 ASSI { 3222} (( segid " " and resid 2302 and name HA )) (( segid " " and resid 2367 and name HE21)) 3.300 1.300 1.300 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.16315E-02 ppm1 4.222 ppm2 7.261 CV 1 ASSI { 3223} (( segid " " and resid 2302 and name HA )) (( segid " " and resid 2367 and name HE22)) 3.200 1.300 1.300 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.14377E-02 ppm1 4.219 ppm2 6.400 CV 1 ASSI { 3224} (( segid " " and resid 2302 and name HA )) ( segid " " and resid 2305 and name HB% ) 3.000 1.100 1.100 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 4.222 ppm2 1.467 CV 1 ASSI { 3227} (( segid " " and resid 2302 and name HB )) ( segid " " and resid 2371 and name HG2%) 3.700 1.700 1.700 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.48944E-03 ppm1 4.290 ppm2 1.104 CV 1 ASSI { 3228} (( segid " " and resid 2302 and name HB )) (( segid " " and resid 2302 and name HA )) 2.300 0.700 0.700 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.88405E-02 ppm1 4.286 ppm2 4.206 CV 1 ASSI { 3229} (( segid " " and resid 2302 and name HB )) (( segid " " and resid 2302 and name H )) 2.800 1.000 1.000 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.52309E-02 ppm1 4.291 ppm2 8.523 CV 1 ASSI { 3230} ( segid " " and resid 2302 and name HG2%) (( segid " " and resid 2302 and name H )) 2.700 0.900 0.900 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.28550E-02 ppm1 1.346 ppm2 8.519 CV 1 ASSI { 3231} ( segid " " and resid 2302 and name HG2%) (( segid " " and resid 2303 and name H )) 3.900 1.900 1.900 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 1.348 ppm2 7.529 CV 1 ASSI { 3232} ( segid " " and resid 2302 and name HG2%) (( segid " " and resid 2367 and name HE21)) 3.600 1.600 1.600 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.86670E-03 ppm1 1.347 ppm2 7.248 CV 1 ASSI { 3233} ( segid " " and resid 2302 and name HG2%) (( segid " " and resid 2367 and name HE22)) 3.900 1.900 1.900 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.80555E-03 ppm1 1.344 ppm2 6.398 CV 1 ASSI { 3234} ( segid " " and resid 2302 and name HG2%) (( segid " " and resid 2302 and name HB )) 2.400 0.700 0.700 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.78612E-02 ppm1 1.345 ppm2 4.290 CV 1 ASSI { 3235} ( segid " " and resid 2302 and name HG2%) (( segid " " and resid 2302 and name HA )) 2.700 0.900 0.900 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.46088E-02 ppm1 1.344 ppm2 4.221 CV 1 ASSI { 3236} ( segid " " and resid 2302 and name HG2%) (( segid " " and resid 2371 and name HA )) 3.500 1.500 1.500 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.15601E-02 ppm1 1.346 ppm2 4.029 CV 1 ASSI { 3237} ( segid " " and resid 2302 and name HG2%) (( segid " " and resid 2371 and name HB )) 4.100 2.100 1.900 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.11828E-02 ppm1 1.345 ppm2 2.262 CV 1 ASSI { 3238} ( segid " " and resid 2302 and name HG2%) (( segid " " and resid 2301 and name HB3 )) 4.700 2.700 1.300 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.89731E-03 ppm1 1.340 ppm2 2.482 CV 1 ASSI { 3241} (( segid " " and resid 2303 and name HA )) (( segid " " and resid 2304 and name H )) 2.700 0.900 0.900 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.42316E-02 ppm1 3.999 ppm2 7.706 CV 1 ASSI { 3242} ( segid " " and resid 2303 and name HG2%) (( segid " " and resid 2300 and name HB3 )) 2.900 1.100 1.100 peak 3242 spectrum 1 weight 0.10000E+01 volume 0.33853E-02 ppm1 1.108 ppm2 2.933 CV 1 ASSI { 3243} ( segid " " and resid 2303 and name HG2%) (( segid " " and resid 2304 and name H )) 3.900 1.900 1.900 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.14785E-02 ppm1 1.108 ppm2 7.707 CV 1 ASSI { 3245} (( segid " " and resid 2304 and name HA )) (( segid " " and resid 2304 and name HB )) 2.600 0.900 0.900 peak 3245 spectrum 1 weight 0.10000E+01 volume 0.49352E-02 ppm1 4.063 ppm2 2.021 CV 1 ASSI { 3246} (( segid " " and resid 2304 and name HA )) (( segid " " and resid 2304 and name HG12)) 2.700 0.900 0.900 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.31813E-02 ppm1 4.067 ppm2 1.582 CV 1 ASSI { 3247} (( segid " " and resid 2304 and name HA )) (( segid " " and resid 2304 and name HG13)) 2.900 1.100 1.100 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.38339E-02 ppm1 4.065 ppm2 1.300 CV 1 ASSI { 3248} (( segid " " and resid 2304 and name HA )) (( segid " " and resid 2305 and name H )) 2.900 1.100 1.100 peak 3248 spectrum 1 weight 0.10000E+01 volume 0.27123E-02 ppm1 4.065 ppm2 8.017 CV 1 ASSI { 3249} (( segid " " and resid 2304 and name HA )) (( segid " " and resid 2304 and name H )) 2.500 0.800 0.800 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.50269E-02 ppm1 4.065 ppm2 7.705 CV 1 ASSI { 3253} (( segid " " and resid 2304 and name HG12)) (( segid " " and resid 2301 and name HA )) 3.700 1.700 1.700 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 1.578 ppm2 4.395 CV 1 ASSI { 3255} (( segid " " and resid 2434 and name HA )) (( segid " " and resid 2434 and name HB3 )) 2.200 0.600 0.600 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.95136E-02 ppm1 4.324 ppm2 4.005 CV 1 ASSI { 3256} (( segid " " and resid 2434 and name HA )) (( segid " " and resid 2434 and name HB2 )) 2.500 0.800 0.800 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.87487E-02 ppm1 4.324 ppm2 3.889 CV 1 ASSI { 3259} (( segid " " and resid 2434 and name HA )) (( segid " " and resid 2437 and name HG2 )) 4.200 2.200 1.800 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.84634E-03 ppm1 4.323 ppm2 2.494 CV 1 OR { 3259} (( segid " " and resid 2434 and name HA )) (( segid " " and resid 2437 and name HG3 )) ASSI { 3260} (( segid " " and resid 2434 and name HA )) (( segid " " and resid 2437 and name HB2 )) 2.900 1.100 1.100 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.31507E-02 ppm1 4.324 ppm2 2.325 CV 1 ASSI { 3261} (( segid " " and resid 2434 and name HA )) (( segid " " and resid 2437 and name HB3 )) 2.700 0.900 0.900 peak 3261 spectrum 1 weight 0.10000E+01 volume 0.31610E-02 ppm1 4.325 ppm2 2.241 CV 1 ASSI { 3264} (( segid " " and resid 2434 and name HB2 )) ( segid " " and resid 2400 and name HG1%) 3.700 1.700 1.700 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.71379E-03 ppm1 3.890 ppm2 1.071 CV 1 ASSI { 3265} (( segid " " and resid 2434 and name HB2 )) ( segid " " and resid 2403 and name HB% ) 4.200 2.200 1.800 peak 3265 spectrum 1 weight 0.10000E+01 volume 0.22432E-03 ppm1 3.889 ppm2 1.605 CV 1 ASSI { 3267} (( segid " " and resid 2434 and name HB2 )) (( segid " " and resid 2434 and name HB3 )) 2.000 0.500 0.500 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.90340E-02 ppm1 3.889 ppm2 4.007 CV 1 ASSI { 3269} (( segid " " and resid 2434 and name HB2 )) (( segid " " and resid 2431 and name HA )) 3.200 1.300 1.300 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 3.886 ppm2 3.603 CV 1 ASSI { 3270} (( segid " " and resid 2434 and name HB2 )) (( segid " " and resid 2434 and name H )) 2.800 1.000 1.000 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.24472E-02 ppm1 3.890 ppm2 8.527 CV 1 ASSI { 3271} (( segid " " and resid 2434 and name HB2 )) (( segid " " and resid 2435 and name H )) 3.200 1.300 1.300 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 3.893 ppm2 8.141 CV 1 ASSI { 3272} (( segid " " and resid 2434 and name HB2 )) (( segid " " and resid 2437 and name H )) 3.800 1.800 1.800 peak 3272 spectrum 1 weight 0.10000E+01 volume 0.99925E-03 ppm1 3.893 ppm2 7.748 CV 1 ASSI { 3279} (( segid " " and resid 2345 and name HG13)) (( segid " " and resid 2341 and name HZ )) 3.200 1.300 1.300 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.92792E-03 ppm1 1.300 ppm2 7.180 CV 1 ASSI { 3280} (( segid " " and resid 2476 and name HB3 )) ( segid " " and resid 2341 and name HD% ) 4.500 2.600 1.500 peak 3280 spectrum 1 weight 0.10000E+01 volume 0.19373E-03 ppm1 1.904 ppm2 7.330 CV 1 OR { 3280} (( segid " " and resid 2476 and name HB2 )) ( segid " " and resid 2341 and name HD% ) OR { 3280} (( segid " " and resid 2476 and name HB2 )) ( segid " " and resid 2341 and name HE% ) ASSI { 3281} (( segid " " and resid 2394 and name HA )) (( segid " " and resid 2394 and name HG12)) 2.600 0.900 0.900 peak 3281 spectrum 1 weight 0.10000E+01 volume 0.42010E-02 ppm1 3.434 ppm2 0.871 CV 1 OR { 3281} (( segid " " and resid 2394 and name HA )) ( segid " " and resid 2394 and name HG2%) OR { 3281} (( segid " " and resid 2394 and name HA )) (( segid " " and resid 2394 and name HG13)) ASSI { 3282} (( segid " " and resid 2394 and name HA )) ( segid " " and resid 2397 and name HB% ) 2.800 0.900 0.900 peak 3282 spectrum 1 weight 0.10000E+01 volume 0.33037E-02 ppm1 3.433 ppm2 1.486 CV 1 ASSI { 3283} (( segid " " and resid 2394 and name HA )) (( segid " " and resid 2394 and name HB )) 2.700 0.900 0.900 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.45375E-02 ppm1 3.434 ppm2 1.897 CV 1 ASSI { 3284} (( segid " " and resid 2394 and name HA )) (( segid " " and resid 2394 and name H )) 2.500 0.800 0.800 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.59548E-02 ppm1 3.432 ppm2 8.101 CV 1 ASSI { 3285} (( segid " " and resid 2394 and name HA )) (( segid " " and resid 2395 and name H )) 3.100 1.200 1.200 peak 3285 spectrum 1 weight 0.10000E+01 volume 0.21923E-02 ppm1 3.431 ppm2 8.363 CV 1 ASSI { 3286} (( segid " " and resid 2450 and name HA )) (( segid " " and resid 2450 and name H )) 2.600 0.800 0.800 peak 3286 spectrum 1 weight 0.10000E+01 volume 0.48128E-02 ppm1 4.565 ppm2 7.656 CV 1 ASSI { 3287} (( segid " " and resid 2411 and name HA )) ( segid " " and resid 2414 and name HB% ) 2.700 0.900 0.900 peak 3287 spectrum 1 weight 0.10000E+01 volume 0.35688E-02 ppm1 4.010 ppm2 1.674 CV 1 ASSI { 3288} (( segid " " and resid 2373 and name HA )) (( segid " " and resid 2373 and name HG2 )) 2.400 0.700 0.700 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.74332E-02 ppm1 4.387 ppm2 2.746 CV 1 ASSI { 3289} ( segid " " and resid 2309 and name HD1%) (( segid " " and resid 2364 and name HA )) 2.600 0.800 0.800 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.45477E-02 ppm1 0.851 ppm2 4.272 CV 1 ASSI { 3290} (( segid " " and resid 2412 and name HB2 )) (( segid " " and resid 2412 and name HD22)) 3.700 1.800 1.800 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 3.031 ppm2 7.632 CV 1 ASSI { 3} (( segid " " and resid 2299 and name H )) (( segid " " and resid 2299 and name HB )) 3.000 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.32030E-02 ppm1 7.843 ppm2 4.229 CV 1 ASSI { 4} (( segid " " and resid 2299 and name H )) (( segid " " and resid 2298 and name HB3 )) 3.900 1.900 1.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.89295E-03 ppm1 7.844 ppm2 3.300 CV 1 ASSI { 5} (( segid " " and resid 2299 and name H )) (( segid " " and resid 2298 and name HB2 )) 3.500 1.500 1.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.12003E-02 ppm1 7.843 ppm2 3.182 CV 1 ASSI { 6} (( segid " " and resid 2299 and name H )) (( segid " " and resid 2296 and name HB3 )) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.63089E-03 ppm1 7.844 ppm2 2.815 CV 1 ASSI { 7} (( segid " " and resid 2299 and name H )) ( segid " " and resid 2299 and name HG2%) 3.500 1.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.77326E-03 ppm1 7.842 ppm2 1.270 CV 1 ASSI { 9} (( segid " " and resid 2299 and name H )) (( segid " " and resid 2300 and name H )) 2.700 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.37206E-02 ppm1 7.843 ppm2 8.074 CV 1 ASSI { 10} (( segid " " and resid 2298 and name H )) (( segid " " and resid 2299 and name H )) 2.600 0.800 0.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.39018E-02 ppm1 8.195 ppm2 7.834 CV 1 ASSI { 11} (( segid " " and resid 2298 and name H )) ( segid " " and resid 2298 and name HD% ) 3.600 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.77326E-03 ppm1 8.195 ppm2 7.404 CV 1 ASSI { 12} (( segid " " and resid 2298 and name H )) (( segid " " and resid 2296 and name HA )) 3.800 1.800 1.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.75063E-03 ppm1 8.197 ppm2 4.978 CV 1 ASSI { 13} (( segid " " and resid 2298 and name H )) (( segid " " and resid 2298 and name HA )) 2.300 0.600 0.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.11240E-01 ppm1 8.195 ppm2 4.694 CV 1 ASSI { 14} (( segid " " and resid 2298 and name H )) (( segid " " and resid 2297 and name HA )) 2.400 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.68170E-02 ppm1 8.194 ppm2 4.428 CV 1 ASSI { 17} (( segid " " and resid 2298 and name H )) (( segid " " and resid 2298 and name HB2 )) 2.300 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.78720E-02 ppm1 8.195 ppm2 3.182 CV 1 ASSI { 18} (( segid " " and resid 2298 and name H )) (( segid " " and resid 2296 and name HB3 )) 4.600 2.700 1.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.62766E-03 ppm1 8.195 ppm2 2.825 CV 1 ASSI { 19} (( segid " " and resid 2298 and name H )) (( segid " " and resid 2297 and name HG3 )) 3.800 1.800 1.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.15756E-02 ppm1 8.194 ppm2 1.815 CV 1 ASSI { 20} (( segid " " and resid 2298 and name H )) ( segid " " and resid 2299 and name HG2%) 4.900 3.000 1.100 peak 20 spectrum 1 weight 0.10000E+01 volume 0.20383E-03 ppm1 8.201 ppm2 1.274 CV 1 ASSI { 21} (( segid " " and resid 2298 and name H )) (( segid " " and resid 2297 and name HB3 )) 3.700 1.700 1.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.14333E-02 ppm1 8.194 ppm2 2.241 CV 1 ASSI { 22} (( segid " " and resid 2298 and name H )) (( segid " " and resid 2297 and name HB2 )) 3.300 1.300 1.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.16274E-02 ppm1 8.195 ppm2 1.717 CV 1 ASSI { 26} (( segid " " and resid 2300 and name H )) (( segid " " and resid 2299 and name HB )) 3.800 1.800 1.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.12909E-02 ppm1 8.082 ppm2 4.229 CV 1 ASSI { 27} (( segid " " and resid 2300 and name H )) (( segid " " and resid 2380 and name HD3 )) 3.700 1.700 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.77969E-03 ppm1 8.081 ppm2 4.126 CV 1 ASSI { 28} (( segid " " and resid 2300 and name H )) (( segid " " and resid 2301 and name HD3 )) 4.200 2.200 1.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.95765E-03 ppm1 8.079 ppm2 4.045 CV 1 ASSI { 29} (( segid " " and resid 2300 and name H )) (( segid " " and resid 2300 and name HB3 )) 3.100 1.200 1.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.62345E-02 ppm1 8.080 ppm2 2.940 CV 1 ASSI { 31} (( segid " " and resid 2300 and name H )) (( segid " " and resid 2303 and name HB )) 3.300 1.400 1.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.13233E-02 ppm1 8.081 ppm2 2.322 CV 1 ASSI { 32} (( segid " " and resid 2300 and name H )) ( segid " " and resid 2299 and name HG2%) 4.200 2.200 1.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.70207E-03 ppm1 8.080 ppm2 1.270 CV 1 ASSI { 33} (( segid " " and resid 2300 and name H )) ( segid " " and resid 2303 and name HG2%) 4.700 2.800 1.300 peak 33 spectrum 1 weight 0.10000E+01 volume 0.35589E-03 ppm1 8.078 ppm2 1.110 CV 1 ASSI { 34} (( segid " " and resid 2300 and name H )) ( segid " " and resid 2303 and name HG1%) 4.600 2.600 1.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.29442E-03 ppm1 8.081 ppm2 1.026 CV 1 ASSI { 35} (( segid " " and resid 2300 and name H )) ( segid " " and resid 2304 and name HD1%) 4.800 2.900 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.17471E-03 ppm1 8.080 ppm2 0.903 CV 1 ASSI { 36} (( segid " " and resid 2303 and name H )) (( segid " " and resid 2302 and name H )) 2.400 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.43806E-02 ppm1 7.544 ppm2 8.526 CV 1 ASSI { 37} (( segid " " and resid 2303 and name H )) (( segid " " and resid 2305 and name H )) 3.700 1.700 1.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.77969E-03 ppm1 7.543 ppm2 8.026 CV 1 ASSI { 38} (( segid " " and resid 2303 and name H )) (( segid " " and resid 2304 and name H )) 2.500 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.42577E-02 ppm1 7.544 ppm2 7.711 CV 1 ASSI { 39} (( segid " " and resid 2302 and name H )) (( segid " " and resid 2304 and name H )) 3.700 1.700 1.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.85411E-03 ppm1 8.534 ppm2 7.707 CV 1 ASSI { 41} (( segid " " and resid 2303 and name H )) (( segid " " and resid 2301 and name HA )) 3.700 1.800 1.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.59530E-03 ppm1 7.548 ppm2 4.407 CV 1 ASSI { 42} (( segid " " and resid 2303 and name H )) (( segid " " and resid 2302 and name HB )) 3.200 1.300 1.300 peak 42 spectrum 1 weight 0.10000E+01 volume 0.17601E-02 ppm1 7.545 ppm2 4.289 CV 1 ASSI { 47} (( segid " " and resid 2303 and name H )) (( segid " " and resid 2303 and name HB )) 2.300 0.700 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.65095E-02 ppm1 7.544 ppm2 2.322 CV 1 ASSI { 48} (( segid " " and resid 2303 and name H )) (( segid " " and resid 2301 and name HG2 )) 4.500 2.500 1.500 peak 48 spectrum 1 weight 0.10000E+01 volume 0.49501E-03 ppm1 7.548 ppm2 2.201 CV 1 ASSI { 49} (( segid " " and resid 2303 and name H )) (( segid " " and resid 2304 and name HB )) 4.400 2.400 1.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.65354E-03 ppm1 7.543 ppm2 2.018 CV 1 ASSI { 50} (( segid " " and resid 2303 and name H )) ( segid " " and resid 2305 and name HB% ) 5.000 3.200 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.16500E-03 ppm1 7.548 ppm2 1.469 CV 1 ASSI { 54} (( segid " " and resid 2302 and name H )) (( segid " " and resid 2300 and name HA )) 3.900 1.900 1.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.98029E-03 ppm1 8.533 ppm2 4.956 CV 1 ASSI { 55} (( segid " " and resid 2302 and name H )) (( segid " " and resid 2301 and name HA )) 3.100 1.200 1.200 peak 55 spectrum 1 weight 0.10000E+01 volume 0.20091E-02 ppm1 8.534 ppm2 4.400 CV 1 ASSI { 58} (( segid " " and resid 2302 and name H )) (( segid " " and resid 2300 and name HB3 )) 3.300 1.400 1.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.80561E-03 ppm1 8.533 ppm2 2.936 CV 1 ASSI { 59} (( segid " " and resid 2302 and name H )) (( segid " " and resid 2301 and name HB3 )) 4.300 2.300 1.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.86710E-03 ppm1 8.532 ppm2 2.461 CV 1 ASSI { 60} (( segid " " and resid 2302 and name H )) (( segid " " and resid 2303 and name HB )) 4.100 2.100 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.91559E-03 ppm1 8.533 ppm2 2.311 CV 1 ASSI { 63} (( segid " " and resid 2302 and name H )) ( segid " " and resid 2303 and name HG2%) 4.500 2.600 1.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.42383E-03 ppm1 8.535 ppm2 1.111 CV 1 ASSI { 66} (( segid " " and resid 2304 and name H )) (( segid " " and resid 2306 and name H )) 4.100 2.100 1.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.50471E-03 ppm1 7.720 ppm2 8.207 CV 1 ASSI { 68} (( segid " " and resid 2304 and name H )) (( segid " " and resid 2301 and name HA )) 3.100 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.15077E-02 ppm1 7.717 ppm2 4.402 CV 1 ASSI { 70} (( segid " " and resid 2304 and name H )) (( segid " " and resid 2300 and name HB3 )) 4.100 2.100 1.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.64384E-03 ppm1 7.718 ppm2 2.936 CV 1 ASSI { 71} (( segid " " and resid 2304 and name H )) (( segid " " and resid 2300 and name HB2 )) 4.600 2.600 1.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.31383E-03 ppm1 7.718 ppm2 2.746 CV 1 ASSI { 72} (( segid " " and resid 2304 and name H )) (( segid " " and resid 2303 and name HB )) 2.600 0.900 0.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.31933E-02 ppm1 7.718 ppm2 2.323 CV 1 ASSI { 75} (( segid " " and resid 2304 and name H )) ( segid " " and resid 2305 and name HB% ) 5.300 3.600 0.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.20706E-03 ppm1 7.719 ppm2 1.459 CV 1 ASSI { 82} (( segid " " and resid 2305 and name H )) (( segid " " and resid 2304 and name H )) 2.500 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.39472E-02 ppm1 8.026 ppm2 7.724 CV 1 ASSI { 83} (( segid " " and resid 2305 and name H )) (( segid " " and resid 2302 and name H )) 3.900 1.900 1.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.52089E-03 ppm1 8.026 ppm2 8.529 CV 1 ASSI { 87} (( segid " " and resid 2305 and name H )) (( segid " " and resid 2301 and name HA )) 3.700 1.700 1.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.76998E-03 ppm1 8.027 ppm2 4.396 CV 1 ASSI { 89} (( segid " " and resid 2306 and name H )) (( segid " " and resid 2305 and name H )) 2.800 1.000 1.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.22680E-02 ppm1 8.185 ppm2 8.017 CV 1 ASSI { 90} (( segid " " and resid 2306 and name H )) (( segid " " and resid 2307 and name HA )) 4.500 2.500 1.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.57913E-03 ppm1 8.187 ppm2 4.569 CV 1 ASSI { 91} (( segid " " and resid 2357 and name H )) (( segid " " and resid 2356 and name HB )) 2.200 2.200 3.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.97480E-02 ppm1 8.156 ppm2 4.149 CV 1 ASSI { 93} (( segid " " and resid 2306 and name H )) (( segid " " and resid 2307 and name HB2 )) 4.800 2.900 1.200 peak 93 spectrum 1 weight 0.10000E+01 volume 0.35912E-03 ppm1 8.192 ppm2 2.920 CV 1 ASSI { 94} (( segid " " and resid 2306 and name H )) (( segid " " and resid 2306 and name HG2 )) 3.900 1.900 1.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.73120E-03 ppm1 8.185 ppm2 2.425 CV 1 OR { 94} (( segid " " and resid 2306 and name H )) (( segid " " and resid 2306 and name HG3 )) ASSI { 95} (( segid " " and resid 2306 and name H )) (( segid " " and resid 2306 and name HB3 )) 2.600 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.44195E-02 ppm1 8.185 ppm2 2.255 CV 1 OR { 95} (( segid " " and resid 2306 and name H )) (( segid " " and resid 2306 and name HB2 )) ASSI { 96} (( segid " " and resid 2306 and name H )) (( segid " " and resid 2309 and name HB2 )) 4.000 2.000 2.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.74091E-03 ppm1 8.185 ppm2 2.053 CV 1 ASSI { 98} (( segid " " and resid 2357 and name H )) ( segid " " and resid 2353 and name HB% ) 4.000 2.000 2.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.17471E-03 ppm1 8.156 ppm2 1.396 CV 1 ASSI { 99} (( segid " " and resid 2306 and name H )) ( segid " " and resid 2303 and name HG1%) 4.100 2.100 1.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.45295E-03 ppm1 8.183 ppm2 1.027 CV 1 ASSI { 101} (( segid " " and resid 2357 and name H )) ( segid " " and resid 2316 and name HD1%) 4.500 2.500 1.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.34295E-03 ppm1 8.154 ppm2 0.865 CV 1 ASSI { 102} (( segid " " and resid 2307 and name H )) (( segid " " and resid 2308 and name H )) 2.700 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.25883E-02 ppm1 8.265 ppm2 8.595 CV 1 ASSI { 103} (( segid " " and resid 2307 and name H )) (( segid " " and resid 2307 and name HA )) 2.800 0.900 0.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.33486E-02 ppm1 8.265 ppm2 4.572 CV 1 ASSI { 104} (( segid " " and resid 2307 and name H )) (( segid " " and resid 2308 and name HA )) 4.900 2.900 1.100 peak 104 spectrum 1 weight 0.10000E+01 volume 0.40766E-03 ppm1 8.260 ppm2 4.232 CV 1 ASSI { 107} (( segid " " and resid 2307 and name H )) (( segid " " and resid 2309 and name HB2 )) 3.900 1.900 1.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.62766E-03 ppm1 8.267 ppm2 2.049 CV 1 ASSI { 108} (( segid " " and resid 2307 and name H )) ( segid " " and resid 2305 and name HB% ) 5.400 3.600 0.600 peak 108 spectrum 1 weight 0.10000E+01 volume 0.15853E-03 ppm1 8.264 ppm2 1.472 CV 1 ASSI { 110} (( segid " " and resid 2307 and name H )) (( segid " " and resid 2306 and name HB2 )) 3.100 1.200 1.200 peak 110 spectrum 1 weight 0.10000E+01 volume 0.19574E-02 ppm1 8.265 ppm2 2.250 CV 1 OR { 110} (( segid " " and resid 2307 and name H )) (( segid " " and resid 2306 and name HB3 )) ASSI { 111} (( segid " " and resid 2307 and name H )) (( segid " " and resid 2304 and name HA )) 2.900 1.100 1.100 peak 111 spectrum 1 weight 0.10000E+01 volume 0.23780E-02 ppm1 8.265 ppm2 4.048 CV 1 ASSI { 113} (( segid " " and resid 2308 and name H )) (( segid " " and resid 2312 and name H )) 4.300 2.300 1.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.45942E-03 ppm1 8.601 ppm2 8.128 CV 1 ASSI { 114} (( segid " " and resid 2308 and name H )) (( segid " " and resid 2307 and name HD21)) 4.500 2.500 1.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.38177E-03 ppm1 8.606 ppm2 7.642 CV 1 ASSI { 118} (( segid " " and resid 2308 and name H )) (( segid " " and resid 2307 and name HB3 )) 3.600 1.600 1.600 peak 118 spectrum 1 weight 0.10000E+01 volume 0.17083E-02 ppm1 8.604 ppm2 3.055 CV 1 ASSI { 120} (( segid " " and resid 2308 and name H )) (( segid " " and resid 2308 and name HG3 )) 3.600 1.600 1.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.27145E-02 ppm1 8.607 ppm2 2.487 CV 1 ASSI { 122} (( segid " " and resid 2448 and name H )) (( segid " " and resid 2448 and name HB3 )) 3.000 1.100 1.100 peak 122 spectrum 1 weight 0.10000E+01 volume 0.17988E-02 ppm1 8.601 ppm2 2.149 CV 1 OR { 122} (( segid " " and resid 2448 and name H )) (( segid " " and resid 2448 and name HB2 )) ASSI { 123} (( segid " " and resid 2329 and name H )) (( segid " " and resid 2329 and name HB2 )) 2.800 1.000 1.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.32968E-02 ppm1 8.589 ppm2 1.923 CV 1 OR { 123} (( segid " " and resid 2329 and name H )) (( segid " " and resid 2329 and name HB3 )) ASSI { 124} (( segid " " and resid 2329 and name H )) (( segid " " and resid 2329 and name HG2 )) 3.200 1.300 1.300 peak 124 spectrum 1 weight 0.10000E+01 volume 0.15303E-02 ppm1 8.590 ppm2 1.793 CV 1 OR { 124} (( segid " " and resid 2329 and name H )) (( segid " " and resid 2329 and name HG3 )) ASSI { 126} (( segid " " and resid 2308 and name H )) ( segid " " and resid 2304 and name HG2%) 4.400 2.400 1.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.33324E-03 ppm1 8.603 ppm2 1.024 CV 1 ASSI { 127} (( segid " " and resid 2308 and name H )) ( segid " " and resid 2394 and name HD1%) 5.600 3.900 0.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.22647E-03 ppm1 8.606 ppm2 0.864 CV 1 OR { 127} (( segid " " and resid 2308 and name H )) ( segid " " and resid 2394 and name HG2%) ASSI { 128} (( segid " " and resid 2308 and name H )) (( segid " " and resid 2307 and name HA )) 2.800 1.000 1.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.37368E-02 ppm1 8.606 ppm2 4.568 CV 1 ASSI { 129} (( segid " " and resid 2309 and name H )) (( segid " " and resid 2310 and name H )) 3.100 1.200 1.200 peak 129 spectrum 1 weight 0.10000E+01 volume 0.13136E-02 ppm1 8.557 ppm2 8.323 CV 1 ASSI { 130} (( segid " " and resid 2309 and name H )) (( segid " " and resid 2312 and name H )) 3.900 1.900 1.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.51118E-03 ppm1 8.555 ppm2 8.142 CV 1 ASSI { 131} (( segid " " and resid 2309 and name H )) (( segid " " and resid 2308 and name HA )) 3.600 1.600 1.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.79590E-03 ppm1 8.560 ppm2 4.233 CV 1 ASSI { 132} (( segid " " and resid 2309 and name H )) (( segid " " and resid 2309 and name HA )) 2.900 1.000 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.21871E-02 ppm1 8.558 ppm2 4.052 CV 1 ASSI { 134} (( segid " " and resid 2309 and name H )) (( segid " " and resid 2309 and name HG )) 2.900 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.15821E-02 ppm1 8.558 ppm2 1.768 CV 1 ASSI { 136} (( segid " " and resid 2309 and name H )) ( segid " " and resid 2309 and name HD1%) 4.800 2.900 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.28471E-03 ppm1 8.558 ppm2 0.852 CV 1 OR { 136} (( segid " " and resid 2309 and name H )) ( segid " " and resid 2309 and name HD2%) ASSI { 138} (( segid " " and resid 2311 and name H )) (( segid " " and resid 2312 and name H )) 2.700 0.900 0.900 peak 138 spectrum 1 weight 0.10000E+01 volume 0.37368E-02 ppm1 8.365 ppm2 8.117 CV 1 ASSI { 142} (( segid " " and resid 2311 and name H )) (( segid " " and resid 2307 and name HA )) 3.500 1.500 1.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.93502E-03 ppm1 8.365 ppm2 4.571 CV 1 ASSI { 143} (( segid " " and resid 2311 and name H )) (( segid " " and resid 2312 and name HA )) 4.500 2.500 1.500 peak 143 spectrum 1 weight 0.10000E+01 volume 0.62766E-03 ppm1 8.364 ppm2 4.357 CV 1 ASSI { 144} (( segid " " and resid 2311 and name H )) (( segid " " and resid 2308 and name HA )) 2.900 1.000 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.24233E-02 ppm1 8.365 ppm2 4.232 CV 1 ASSI { 146} (( segid " " and resid 2311 and name H )) (( segid " " and resid 2310 and name HB3 )) 3.200 1.300 1.300 peak 146 spectrum 1 weight 0.10000E+01 volume 0.22000E-02 ppm1 8.365 ppm2 2.006 CV 1 ASSI { 147} (( segid " " and resid 2311 and name H )) (( segid " " and resid 2310 and name HB2 )) 2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.29086E-02 ppm1 8.365 ppm2 1.643 CV 1 ASSI { 148} (( segid " " and resid 2311 and name H )) ( segid " " and resid 2310 and name HD2%) 3.500 1.600 1.600 peak 148 spectrum 1 weight 0.10000E+01 volume 0.33648E-03 ppm1 8.361 ppm2 1.013 CV 1 ASSI { 150} (( segid " " and resid 2312 and name H )) (( segid " " and resid 2312 and name HA )) 2.700 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.39633E-02 ppm1 8.123 ppm2 4.353 CV 1 ASSI { 152} (( segid " " and resid 2312 and name H )) (( segid " " and resid 2311 and name HA3 )) 2.900 1.100 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.18442E-02 ppm1 8.123 ppm2 4.058 CV 1 ASSI { 153} (( segid " " and resid 2312 and name H )) (( segid " " and resid 2308 and name HB3 )) 3.600 1.700 1.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.50148E-03 ppm1 8.123 ppm2 2.060 CV 1 ASSI { 155} (( segid " " and resid 2312 and name H )) ( segid " " and resid 2360 and name HG2%) 4.400 2.400 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.32354E-03 ppm1 8.123 ppm2 1.110 CV 1 ASSI { 156} (( segid " " and resid 2312 and name H )) ( segid " " and resid 2310 and name HD1%) 5.600 3.900 0.400 peak 156 spectrum 1 weight 0.10000E+01 volume 0.11971E-03 ppm1 8.122 ppm2 0.992 CV 1 ASSI { 157} (( segid " " and resid 2312 and name H )) ( segid " " and resid 2309 and name HD2%) 4.900 3.000 1.100 peak 157 spectrum 1 weight 0.10000E+01 volume 0.28148E-03 ppm1 8.121 ppm2 0.856 CV 1 ASSI { 158} (( segid " " and resid 2311 and name H )) ( segid " " and resid 2312 and name HB% ) 4.900 3.000 1.100 peak 158 spectrum 1 weight 0.10000E+01 volume 0.40119E-03 ppm1 8.367 ppm2 1.564 CV 1 ASSI { 160} (( segid " " and resid 2354 and name H )) (( segid " " and resid 2356 and name H )) 3.600 1.600 1.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.89295E-03 ppm1 8.149 ppm2 9.265 CV 1 ASSI { 161} (( segid " " and resid 2354 and name H )) (( segid " " and resid 2353 and name H )) 2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.54645E-02 ppm1 8.150 ppm2 8.350 CV 1 ASSI { 162} (( segid " " and resid 2354 and name H )) (( segid " " and resid 2351 and name HA )) 2.800 1.000 1.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.32547E-02 ppm1 8.149 ppm2 4.410 CV 1 ASSI { 163} (( segid " " and resid 2354 and name H )) (( segid " " and resid 2354 and name HA )) 2.400 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.85089E-02 ppm1 8.150 ppm2 4.215 CV 1 ASSI { 164} (( segid " " and resid 2313 and name H )) (( segid " " and resid 2313 and name HA )) 2.500 0.800 0.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.59595E-02 ppm1 8.155 ppm2 4.093 CV 1 ASSI { 166} (( segid " " and resid 2354 and name H )) (( segid " " and resid 2352 and name HA )) 3.700 1.700 1.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.72149E-03 ppm1 8.151 ppm2 3.714 CV 1 ASSI { 167} (( segid " " and resid 2313 and name H )) (( segid " " and resid 2360 and name HB )) 4.200 2.200 1.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.61795E-03 ppm1 8.159 ppm2 2.233 CV 1 ASSI { 170} (( segid " " and resid 2313 and name H )) ( segid " " and resid 2360 and name HG2%) 3.300 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.14494E-02 ppm1 8.154 ppm2 1.113 CV 1 ASSI { 171} (( segid " " and resid 2399 and name H )) ( segid " " and resid 2400 and name HG1%) 4.700 2.800 1.300 peak 171 spectrum 1 weight 0.10000E+01 volume 0.33324E-03 ppm1 8.106 ppm2 1.068 CV 1 ASSI { 175} (( segid " " and resid 2314 and name H )) (( segid " " and resid 2317 and name H )) 3.900 1.900 1.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.47883E-03 ppm1 8.234 ppm2 8.347 CV 1 ASSI { 176} (( segid " " and resid 2314 and name H )) (( segid " " and resid 2314 and name HA )) 2.400 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.67487E-02 ppm1 8.232 ppm2 4.282 CV 1 ASSI { 178} (( segid " " and resid 2314 and name H )) ( segid " " and resid 2312 and name HB% ) 5.100 3.300 0.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.22324E-03 ppm1 8.236 ppm2 1.541 CV 1 ASSI { 179} (( segid " " and resid 2314 and name H )) ( segid " " and resid 2360 and name HG1%) 5.900 4.400 0.100 peak 179 spectrum 1 weight 0.10000E+01 volume 0.13589E-03 ppm1 8.234 ppm2 1.107 CV 1 OR { 179} (( segid " " and resid 2314 and name H )) ( segid " " and resid 2360 and name HG2%) ASSI { 180} (( segid " " and resid 2314 and name H )) (( segid " " and resid 2316 and name HG13)) 4.600 2.600 1.400 peak 180 spectrum 1 weight 0.10000E+01 volume 0.34295E-03 ppm1 8.236 ppm2 1.002 CV 1 ASSI { 181} (( segid " " and resid 2314 and name H )) (( segid " " and resid 2313 and name HA )) 3.000 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.25333E-02 ppm1 8.233 ppm2 4.087 CV 1 ASSI { 182} (( segid " " and resid 2339 and name H )) (( segid " " and resid 2338 and name H )) 3.000 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.21871E-02 ppm1 8.072 ppm2 8.382 CV 1 ASSI { 183} (( segid " " and resid 2315 and name H )) (( segid " " and resid 2314 and name H )) 2.400 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.66778E-02 ppm1 8.090 ppm2 8.218 CV 1 ASSI { 184} (( segid " " and resid 2470 and name H )) (( segid " " and resid 2469 and name HA )) 3.300 1.400 1.400 peak 184 spectrum 1 weight 0.10000E+01 volume 0.13233E-02 ppm1 8.099 ppm2 4.586 CV 1 ASSI { 186} (( segid " " and resid 2315 and name H )) (( segid " " and resid 2316 and name HA )) 4.400 2.400 1.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.66325E-03 ppm1 8.085 ppm2 3.740 CV 1 ASSI { 187} (( segid " " and resid 2470 and name H )) (( segid " " and resid 2469 and name HB3 )) 2.900 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.14818E-02 ppm1 8.098 ppm2 3.141 CV 1 ASSI { 188} (( segid " " and resid 2470 and name H )) (( segid " " and resid 2469 and name HB2 )) 3.800 1.800 1.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.15432E-02 ppm1 8.102 ppm2 2.937 CV 1 ASSI { 189} (( segid " " and resid 2470 and name H )) (( segid " " and resid 2471 and name HB )) 4.400 2.500 1.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.50795E-03 ppm1 8.103 ppm2 2.345 CV 1 ASSI { 191} (( segid " " and resid 2339 and name H )) (( segid " " and resid 2337 and name HB2 )) 3.300 1.300 1.300 peak 191 spectrum 1 weight 0.10000E+01 volume 0.15627E-02 ppm1 8.087 ppm2 2.077 CV 1 ASSI { 192} (( segid " " and resid 2470 and name H )) (( segid " " and resid 2470 and name HB2 )) 2.200 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.51248E-02 ppm1 8.101 ppm2 1.788 CV 1 ASSI { 193} (( segid " " and resid 2315 and name H )) ( segid " " and resid 2315 and name HB% ) 2.400 0.700 0.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.68231E-02 ppm1 8.084 ppm2 1.663 CV 1 ASSI { 197} (( segid " " and resid 2315 and name H )) ( segid " " and resid 2316 and name HD1%) 5.600 3.900 0.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.17471E-03 ppm1 8.091 ppm2 0.855 CV 1 ASSI { 198} (( segid " " and resid 2481 and name H )) (( segid " " and resid 2479 and name HA )) 3.500 1.500 1.500 peak 198 spectrum 1 weight 0.10000E+01 volume 0.15918E-02 ppm1 8.161 ppm2 4.310 CV 1 ASSI { 199} (( segid " " and resid 2316 and name H )) (( segid " " and resid 2313 and name HA )) 2.900 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.21418E-02 ppm1 8.168 ppm2 4.086 CV 1 ASSI { 201} (( segid " " and resid 2316 and name H )) (( segid " " and resid 2316 and name HB )) 2.900 1.000 1.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.29701E-02 ppm1 8.165 ppm2 2.060 CV 1 OR { 201} (( segid " " and resid 2316 and name H )) (( segid " " and resid 2316 and name HG12)) ASSI { 202} (( segid " " and resid 2316 and name H )) ( segid " " and resid 2315 and name HB% ) 3.500 1.500 1.500 peak 202 spectrum 1 weight 0.10000E+01 volume 0.78619E-03 ppm1 8.167 ppm2 1.664 CV 1 ASSI { 203} (( segid " " and resid 2316 and name H )) ( segid " " and resid 2316 and name HG2%) 4.400 2.400 1.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.71499E-03 ppm1 8.168 ppm2 1.114 CV 1 ASSI { 204} (( segid " " and resid 2316 and name H )) (( segid " " and resid 2316 and name HG13)) 2.600 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.19153E-02 ppm1 8.166 ppm2 1.017 CV 1 ASSI { 209} (( segid " " and resid 2316 and name H )) (( segid " " and resid 2317 and name H )) 2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.24783E-02 ppm1 8.169 ppm2 8.343 CV 1 ASSI { 210} (( segid " " and resid 2384 and name H )) (( segid " " and resid 2382 and name HA )) 3.700 1.700 1.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.54354E-03 ppm1 8.337 ppm2 4.993 CV 1 ASSI { 212} (( segid " " and resid 2384 and name H )) (( segid " " and resid 2384 and name HA )) 2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.48207E-02 ppm1 8.340 ppm2 4.368 CV 1 ASSI { 214} (( segid " " and resid 2317 and name H )) (( segid " " and resid 2317 and name HA )) 2.500 0.800 0.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.57881E-02 ppm1 8.348 ppm2 4.091 CV 1 ASSI { 215} (( segid " " and resid 2317 and name H )) (( segid " " and resid 2316 and name HA )) 3.300 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.12197E-02 ppm1 8.352 ppm2 3.739 CV 1 ASSI { 218} (( segid " " and resid 2384 and name H )) (( segid " " and resid 2385 and name HB2 )) 4.200 2.200 1.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.87353E-03 ppm1 8.340 ppm2 2.823 CV 1 ASSI { 221} (( segid " " and resid 2409 and name H )) (( segid " " and resid 2409 and name HG2 )) 3.300 1.400 1.400 peak 221 spectrum 1 weight 0.10000E+01 volume 0.31545E-02 ppm1 8.330 ppm2 2.380 CV 1 ASSI { 224} (( segid " " and resid 2384 and name H )) (( segid " " and resid 2384 and name HB3 )) 2.600 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.74801E-02 ppm1 8.341 ppm2 1.778 CV 1 ASSI { 226} (( segid " " and resid 2409 and name H )) ( segid " " and resid 2411 and name HB% ) 5.100 3.200 0.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.17471E-03 ppm1 8.330 ppm2 1.369 CV 1 ASSI { 230} (( segid " " and resid 2318 and name H )) (( segid " " and resid 2319 and name H )) 2.400 0.700 0.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.66616E-02 ppm1 8.148 ppm2 7.820 CV 1 ASSI { 232} (( segid " " and resid 2318 and name H )) (( segid " " and resid 2318 and name HA )) 2.300 0.700 0.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.88070E-02 ppm1 8.148 ppm2 4.220 CV 1 ASSI { 233} (( segid " " and resid 2355 and name H )) (( segid " " and resid 2353 and name HA )) 3.600 1.600 1.600 peak 233 spectrum 1 weight 0.10000E+01 volume 0.11712E-02 ppm1 8.099 ppm2 4.131 CV 1 ASSI { 234} (( segid " " and resid 2318 and name H )) (( segid " " and resid 2317 and name HA )) 3.100 1.200 1.200 peak 234 spectrum 1 weight 0.10000E+01 volume 0.22421E-02 ppm1 8.147 ppm2 4.095 CV 1 ASSI { 235} (( segid " " and resid 2318 and name H )) (( segid " " and resid 2317 and name HG3 )) 4.300 2.300 1.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.76677E-03 ppm1 8.147 ppm2 2.557 CV 1 ASSI { 236} (( segid " " and resid 2318 and name H )) (( segid " " and resid 2317 and name HG2 )) 4.300 2.300 1.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 8.146 ppm2 2.332 CV 1 ASSI { 237} (( segid " " and resid 2318 and name H )) (( segid " " and resid 2317 and name HB2 )) 2.900 1.100 1.100 peak 237 spectrum 1 weight 0.10000E+01 volume 0.19833E-02 ppm1 8.148 ppm2 2.193 CV 1 OR { 237} (( segid " " and resid 2318 and name H )) (( segid " " and resid 2317 and name HB3 )) ASSI { 238} (( segid " " and resid 2318 and name H )) ( segid " " and resid 2318 and name HB% ) 2.500 0.800 0.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.55551E-02 ppm1 8.148 ppm2 1.607 CV 1 ASSI { 239} (( segid " " and resid 2385 and name H )) ( segid " " and resid 2384 and name HD1%) 4.200 2.200 1.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.41089E-03 ppm1 8.149 ppm2 1.011 CV 1 ASSI { 240} (( segid " " and resid 2481 and name H )) (( segid " " and resid 2480 and name H )) 2.700 0.900 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.39924E-02 ppm1 8.158 ppm2 7.948 CV 1 ASSI { 242} (( segid " " and resid 2482 and name H )) (( segid " " and resid 2480 and name HB3 )) 3.200 3.200 2.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.65031E-03 ppm1 7.981 ppm2 3.329 CV 1 ASSI { 243} (( segid " " and resid 2482 and name H )) (( segid " " and resid 2480 and name HB2 )) 3.400 3.400 2.600 peak 243 spectrum 1 weight 0.10000E+01 volume 0.44001E-03 ppm1 7.975 ppm2 3.078 CV 1 ASSI { 244} (( segid " " and resid 2482 and name H )) (( segid " " and resid 2482 and name HB3 )) 3.600 1.600 1.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.99001E-03 ppm1 7.979 ppm2 2.778 CV 1 ASSI { 246} (( segid " " and resid 2482 and name H )) (( segid " " and resid 2481 and name HB3 )) 3.600 1.600 1.600 peak 246 spectrum 1 weight 0.10000E+01 volume 0.19736E-02 ppm1 7.979 ppm2 2.182 CV 1 ASSI { 247} (( segid " " and resid 2482 and name H )) (( segid " " and resid 2481 and name HB2 )) 4.500 2.600 1.500 peak 247 spectrum 1 weight 0.10000E+01 volume 0.44971E-03 ppm1 7.980 ppm2 2.002 CV 1 ASSI { 250} (( segid " " and resid 2348 and name H )) (( segid " " and resid 2348 and name HA )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.61504E-02 ppm1 8.131 ppm2 4.370 CV 1 ASSI { 251} (( segid " " and resid 2348 and name H )) (( segid " " and resid 2347 and name HA )) 2.800 1.000 1.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.40927E-02 ppm1 8.131 ppm2 4.083 CV 1 ASSI { 252} (( segid " " and resid 2348 and name H )) (( segid " " and resid 2345 and name HA )) 2.900 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.20189E-02 ppm1 8.131 ppm2 3.688 CV 1 ASSI { 253} (( segid " " and resid 2481 and name H )) (( segid " " and resid 2480 and name HB3 )) 3.500 1.500 1.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.19574E-02 ppm1 8.155 ppm2 3.325 CV 1 ASSI { 254} (( segid " " and resid 2481 and name H )) (( segid " " and resid 2480 and name HB2 )) 3.500 1.600 1.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.15271E-02 ppm1 8.155 ppm2 3.078 CV 1 ASSI { 256} (( segid " " and resid 2481 and name H )) (( segid " " and resid 2481 and name HB3 )) 3.100 1.200 1.200 peak 256 spectrum 1 weight 0.10000E+01 volume 0.29054E-02 ppm1 8.132 ppm2 2.171 CV 1 OR { 256} (( segid " " and resid 2481 and name H )) (( segid " " and resid 2481 and name HG3 )) ASSI { 257} (( segid " " and resid 2481 and name H )) (( segid " " and resid 2481 and name HB2 )) 2.800 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.31803E-02 ppm1 8.157 ppm2 2.011 CV 1 OR { 257} (( segid " " and resid 2481 and name H )) (( segid " " and resid 2481 and name HG2 )) ASSI { 258} (( segid " " and resid 2348 and name H )) (( segid " " and resid 2346 and name HB3 )) 3.400 3.400 2.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.39795E-03 ppm1 8.133 ppm2 1.935 CV 1 ASSI { 259} (( segid " " and resid 2348 and name H )) ( segid " " and resid 2348 and name HB% ) 2.600 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.35945E-02 ppm1 8.131 ppm2 1.616 CV 1 ASSI { 260} (( segid " " and resid 2348 and name H )) ( segid " " and resid 2349 and name HB% ) 4.500 2.600 1.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.47883E-03 ppm1 8.132 ppm2 1.486 CV 1 ASSI { 261} (( segid " " and resid 2481 and name H )) ( segid " " and resid 2479 and name HB% ) 4.400 2.400 1.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.27177E-03 ppm1 8.157 ppm2 1.317 CV 1 ASSI { 263} (( segid " " and resid 2480 and name H )) ( segid " " and resid 2480 and name HD% ) 3.300 1.400 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.11971E-02 ppm1 7.949 ppm2 7.350 CV 1 ASSI { 264} (( segid " " and resid 2480 and name H )) (( segid " " and resid 2479 and name H )) 3.100 1.200 1.200 peak 264 spectrum 1 weight 0.10000E+01 volume 0.32321E-02 ppm1 7.949 ppm2 7.810 CV 1 ASSI { 266} (( segid " " and resid 2480 and name H )) (( segid " " and resid 2480 and name HA )) 2.400 0.700 0.700 peak 266 spectrum 1 weight 0.10000E+01 volume 0.76744E-02 ppm1 7.948 ppm2 4.717 CV 1 ASSI { 270} (( segid " " and resid 2480 and name H )) ( segid " " and resid 2478 and name HB% ) 4.700 2.800 1.300 peak 270 spectrum 1 weight 0.10000E+01 volume 0.25560E-03 ppm1 7.946 ppm2 1.416 CV 1 ASSI { 274} (( segid " " and resid 2478 and name H )) (( segid " " and resid 2421 and name HG2 )) 4.400 2.400 1.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.30089E-03 ppm1 7.814 ppm2 2.434 CV 1 OR { 274} (( segid " " and resid 2478 and name H )) (( segid " " and resid 2421 and name HG3 )) ASSI { 275} (( segid " " and resid 2446 and name H )) (( segid " " and resid 2444 and name HB )) 4.700 2.700 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.59530E-03 ppm1 7.823 ppm2 2.300 CV 1 ASSI { 277} (( segid " " and resid 2478 and name H )) (( segid " " and resid 2421 and name HB2 )) 4.000 2.000 2.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.81854E-03 ppm1 7.830 ppm2 2.083 CV 1 ASSI { 278} (( segid " " and resid 2478 and name H )) (( segid " " and resid 2476 and name HB2 )) 3.900 1.900 1.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.44648E-03 ppm1 7.815 ppm2 1.903 CV 1 ASSI { 279} (( segid " " and resid 2478 and name H )) ( segid " " and resid 2474 and name HB% ) 3.700 1.800 1.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.23941E-03 ppm1 7.817 ppm2 1.581 CV 1 ASSI { 282} (( segid " " and resid 2446 and name H )) (( segid " " and resid 2445 and name HD2 )) 4.500 2.500 1.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.47236E-03 ppm1 7.810 ppm2 1.010 CV 1 ASSI { 284} (( segid " " and resid 2446 and name H )) (( segid " " and resid 2444 and name H )) 3.700 1.700 1.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.63089E-03 ppm1 7.833 ppm2 7.620 CV 1 ASSI { 285} (( segid " " and resid 2479 and name H )) ( segid " " and resid 2480 and name HE% ) 4.800 2.900 1.200 peak 285 spectrum 1 weight 0.10000E+01 volume 0.28795E-03 ppm1 7.835 ppm2 7.429 CV 1 ASSI { 286} (( segid " " and resid 2479 and name H )) ( segid " " and resid 2480 and name HD% ) 4.000 2.000 2.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.44001E-03 ppm1 7.817 ppm2 7.340 CV 1 ASSI { 287} (( segid " " and resid 2446 and name H )) (( segid " " and resid 2447 and name H )) 4.400 2.400 1.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.72799E-03 ppm1 7.830 ppm2 8.495 CV 1 ASSI { 291} (( segid " " and resid 2477 and name H )) ( segid " " and resid 2341 and name HE% ) 4.600 2.600 1.400 peak 291 spectrum 1 weight 0.10000E+01 volume 0.24588E-03 ppm1 7.694 ppm2 7.333 CV 1 OR { 291} (( segid " " and resid 2477 and name H )) ( segid " " and resid 2341 and name HD% ) ASSI { 292} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2475 and name H )) 3.500 1.500 1.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.11324E-02 ppm1 7.693 ppm2 8.120 CV 1 ASSI { 293} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2478 and name H )) 2.800 1.000 1.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.26271E-02 ppm1 7.692 ppm2 7.806 CV 1 ASSI { 296} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2421 and name HG3 )) 4.200 2.200 1.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.31383E-03 ppm1 7.691 ppm2 2.454 CV 1 OR { 296} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2421 and name HG2 )) ASSI { 297} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2475 and name HB2 )) 4.700 2.800 1.300 peak 297 spectrum 1 weight 0.10000E+01 volume 0.34618E-03 ppm1 7.691 ppm2 2.297 CV 1 ASSI { 298} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2421 and name HB3 )) 4.200 2.200 1.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.43354E-03 ppm1 7.690 ppm2 2.184 CV 1 ASSI { 299} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2476 and name HB3 )) 3.000 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.21483E-02 ppm1 7.692 ppm2 1.900 CV 1 OR { 299} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2476 and name HB2 )) ASSI { 300} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2476 and name HD3 )) 3.600 1.600 1.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.31383E-03 ppm1 7.693 ppm2 1.767 CV 1 OR { 300} (( segid " " and resid 2477 and name H )) (( segid " " and resid 2476 and name HD2 )) ASSI { 301} (( segid " " and resid 2477 and name H )) ( segid " " and resid 2474 and name HB% ) 3.300 1.400 1.400 peak 301 spectrum 1 weight 0.10000E+01 volume 0.49501E-03 ppm1 7.691 ppm2 1.576 CV 1 ASSI { 302} (( segid " " and resid 2477 and name H )) ( segid " " and resid 2478 and name HB% ) 4.600 2.700 1.400 peak 302 spectrum 1 weight 0.10000E+01 volume 0.24913E-03 ppm1 7.695 ppm2 1.422 CV 1 ASSI { 304} (( segid " " and resid 2477 and name H )) ( segid " " and resid 2345 and name HD1%) 3.900 1.900 1.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.19089E-03 ppm1 7.686 ppm2 0.684 CV 1 ASSI { 306} (( segid " " and resid 2476 and name H )) (( segid " " and resid 2474 and name H )) 3.800 1.800 1.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.68592E-03 ppm1 7.731 ppm2 8.654 CV 1 ASSI { 307} (( segid " " and resid 2476 and name H )) ( segid " " and resid 2341 and name HE% ) 5.100 3.300 0.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.13912E-03 ppm1 7.737 ppm2 7.323 CV 1 OR { 307} (( segid " " and resid 2476 and name H )) ( segid " " and resid 2341 and name HD% ) ASSI { 308} (( segid " " and resid 2476 and name H )) (( segid " " and resid 2476 and name HA )) 2.300 0.600 0.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.98713E-02 ppm1 7.729 ppm2 4.220 CV 1 ASSI { 309} (( segid " " and resid 2476 and name H )) (( segid " " and resid 2476 and name HE3 )) 5.300 3.600 0.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.21030E-03 ppm1 7.736 ppm2 3.060 CV 1 OR { 309} (( segid " " and resid 2476 and name H )) (( segid " " and resid 2476 and name HE2 )) ASSI { 310} (( segid " " and resid 2476 and name H )) (( segid " " and resid 2475 and name HG3 )) 4.300 2.300 1.700 peak 310 spectrum 1 weight 0.10000E+01 volume 0.64384E-03 ppm1 7.724 ppm2 2.734 CV 1 ASSI { 311} (( segid " " and resid 2476 and name H )) (( segid " " and resid 2475 and name HG2 )) 4.700 2.800 1.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.62766E-03 ppm1 7.732 ppm2 2.483 CV 1 ASSI { 313} (( segid " " and resid 2476 and name H )) (( segid " " and resid 2475 and name HB3 )) 3.500 1.600 1.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.19994E-02 ppm1 7.730 ppm2 2.182 CV 1 ASSI { 314} (( segid " " and resid 2476 and name H )) (( segid " " and resid 2476 and name HB3 )) 2.600 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.10243E-01 ppm1 7.729 ppm2 1.901 CV 1 ASSI { 315} (( segid " " and resid 2476 and name H )) (( segid " " and resid 2476 and name HD2 )) 4.500 2.500 1.500 peak 315 spectrum 1 weight 0.10000E+01 volume 0.49177E-03 ppm1 7.730 ppm2 1.769 CV 1 OR { 315} (( segid " " and resid 2476 and name H )) (( segid " " and resid 2476 and name HD3 )) ASSI { 317} (( segid " " and resid 2475 and name H )) (( segid " " and resid 2476 and name H )) 2.300 0.600 0.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.65937E-02 ppm1 8.122 ppm2 7.718 CV 1 ASSI { 318} (( segid " " and resid 2475 and name H )) (( segid " " and resid 2474 and name H )) 2.400 0.700 0.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.46104E-02 ppm1 8.121 ppm2 8.659 CV 1 ASSI { 324} (( segid " " and resid 2475 and name H )) (( segid " " and resid 2475 and name HB3 )) 3.200 1.300 1.300 peak 324 spectrum 1 weight 0.10000E+01 volume 0.45845E-02 ppm1 8.122 ppm2 2.183 CV 1 ASSI { 325} (( segid " " and resid 2475 and name H )) (( segid " " and resid 2476 and name HB3 )) 4.200 2.200 1.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.12262E-02 ppm1 8.122 ppm2 1.914 CV 1 ASSI { 326} (( segid " " and resid 2475 and name H )) (( segid " " and resid 2476 and name HD2 )) 5.100 3.200 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.22000E-03 ppm1 8.127 ppm2 1.784 CV 1 OR { 326} (( segid " " and resid 2475 and name H )) (( segid " " and resid 2476 and name HD3 )) ASSI { 328} (( segid " " and resid 2475 and name H )) ( segid " " and resid 2477 and name HB% ) 5.200 3.300 0.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.16500E-03 ppm1 8.123 ppm2 1.301 CV 1 ASSI { 333} (( segid " " and resid 2474 and name H )) (( segid " " and resid 2470 and name HA )) 3.600 1.600 1.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.69557E-03 ppm1 8.671 ppm2 4.099 CV 1 ASSI { 334} (( segid " " and resid 2474 and name H )) (( segid " " and resid 2425 and name HA )) 4.600 2.600 1.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.44648E-03 ppm1 8.656 ppm2 3.633 CV 1 ASSI { 336} (( segid " " and resid 2474 and name H )) (( segid " " and resid 2475 and name HG3 )) 4.500 2.500 1.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.37530E-03 ppm1 8.663 ppm2 2.746 CV 1 ASSI { 337} (( segid " " and resid 2474 and name H )) (( segid " " and resid 2471 and name HB )) 4.400 2.400 1.600 peak 337 spectrum 1 weight 0.10000E+01 volume 0.36883E-03 ppm1 8.674 ppm2 2.327 CV 1 ASSI { 338} (( segid " " and resid 2474 and name H )) (( segid " " and resid 2472 and name HB3 )) 5.000 3.100 1.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.26854E-03 ppm1 8.670 ppm2 1.987 CV 1 OR { 338} (( segid " " and resid 2474 and name H )) (( segid " " and resid 2472 and name HB2 )) ASSI { 339} (( segid " " and resid 2474 and name H )) (( segid " " and resid 2470 and name HG )) 3.800 1.800 1.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.48207E-03 ppm1 8.673 ppm2 1.777 CV 1 ASSI { 342} (( segid " " and resid 2474 and name H )) ( segid " " and resid 2345 and name HD1%) 4.400 2.400 1.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.22324E-03 ppm1 8.667 ppm2 0.682 CV 1 ASSI { 343} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2474 and name H )) 2.500 0.800 0.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.48368E-02 ppm1 7.932 ppm2 8.659 CV 1 ASSI { 344} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2471 and name H )) 3.400 1.400 1.400 peak 344 spectrum 1 weight 0.10000E+01 volume 0.98679E-03 ppm1 7.932 ppm2 8.232 CV 1 ASSI { 345} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2475 and name H )) 3.600 1.600 1.600 peak 345 spectrum 1 weight 0.10000E+01 volume 0.11906E-02 ppm1 7.934 ppm2 8.109 CV 1 ASSI { 346} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2476 and name H )) 4.100 2.100 1.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.49824E-03 ppm1 7.939 ppm2 7.722 CV 1 ASSI { 347} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2469 and name HA )) 3.300 1.400 1.400 peak 347 spectrum 1 weight 0.10000E+01 volume 0.12262E-02 ppm1 7.932 ppm2 4.584 CV 1 ASSI { 348} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2473 and name HA )) 2.300 0.700 0.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.81821E-02 ppm1 7.932 ppm2 4.259 CV 1 ASSI { 349} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2472 and name HA )) 2.900 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.26821E-02 ppm1 7.931 ppm2 4.126 CV 1 ASSI { 350} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2471 and name HA )) 3.700 1.800 1.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.66648E-03 ppm1 7.928 ppm2 3.458 CV 1 ASSI { 351} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2471 and name HB )) 4.300 2.400 1.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.72799E-03 ppm1 7.932 ppm2 2.332 CV 1 ASSI { 352} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2470 and name HB3 )) 3.200 3.200 2.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.63089E-03 ppm1 7.934 ppm2 2.171 CV 1 ASSI { 353} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2472 and name HB3 )) 2.700 0.900 0.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.30056E-02 ppm1 7.932 ppm2 1.983 CV 1 OR { 353} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2472 and name HB2 )) ASSI { 354} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2472 and name HG2 )) 5.300 3.500 0.700 peak 354 spectrum 1 weight 0.10000E+01 volume 0.25236E-03 ppm1 7.932 ppm2 1.781 CV 1 OR { 354} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2472 and name HG3 )) ASSI { 355} (( segid " " and resid 2473 and name H )) (( segid " " and resid 2472 and name HD2 )) 3.600 1.600 1.600 peak 355 spectrum 1 weight 0.10000E+01 volume 0.85411E-03 ppm1 7.932 ppm2 1.679 CV 1 ASSI { 356} (( segid " " and resid 2473 and name H )) ( segid " " and resid 2473 and name HB% ) 2.500 0.800 0.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.46622E-02 ppm1 7.932 ppm2 1.571 CV 1 ASSI { 357} (( segid " " and resid 2473 and name H )) ( segid " " and resid 2471 and name HG2%) 3.900 1.900 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.18118E-03 ppm1 7.927 ppm2 1.244 CV 1 ASSI { 358} (( segid " " and resid 2473 and name H )) ( segid " " and resid 2471 and name HG1%) 5.100 3.300 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.18118E-03 ppm1 7.932 ppm2 1.019 CV 1 ASSI { 359} (( segid " " and resid 2473 and name H )) ( segid " " and resid 2345 and name HD1%) 5.300 3.500 0.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.13265E-03 ppm1 7.931 ppm2 0.686 CV 1 ASSI { 360} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2474 and name H )) 3.700 1.700 1.700 peak 360 spectrum 1 weight 0.10000E+01 volume 0.67293E-03 ppm1 7.967 ppm2 8.660 CV 1 ASSI { 362} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2470 and name H )) 3.400 1.400 1.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.13006E-02 ppm1 7.967 ppm2 8.091 CV 1 ASSI { 363} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2469 and name HA )) 3.000 1.100 1.100 peak 363 spectrum 1 weight 0.10000E+01 volume 0.20383E-02 ppm1 7.967 ppm2 4.593 CV 1 ASSI { 365} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2473 and name HA )) 4.200 2.200 1.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.77326E-03 ppm1 7.971 ppm2 4.264 CV 1 ASSI { 366} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2472 and name HA )) 2.400 0.700 0.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.55422E-02 ppm1 7.968 ppm2 4.145 CV 1 ASSI { 367} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2471 and name HA )) 3.300 1.400 1.400 peak 367 spectrum 1 weight 0.10000E+01 volume 0.12521E-02 ppm1 7.967 ppm2 3.470 CV 1 ASSI { 369} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2475 and name HG2 )) 5.000 3.100 1.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.44324E-03 ppm1 7.968 ppm2 2.487 CV 1 ASSI { 371} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2472 and name HB2 )) 2.000 0.500 0.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.10230E-01 ppm1 7.968 ppm2 1.985 CV 1 ASSI { 372} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2472 and name HG3 )) 4.600 2.700 1.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.67943E-03 ppm1 7.968 ppm2 1.791 CV 1 OR { 372} (( segid " " and resid 2472 and name H )) (( segid " " and resid 2472 and name HG2 )) ASSI { 373} (( segid " " and resid 2472 and name H )) ( segid " " and resid 2473 and name HB% ) 4.100 2.100 1.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.88974E-03 ppm1 7.968 ppm2 1.561 CV 1 ASSI { 376} (( segid " " and resid 2471 and name H )) (( segid " " and resid 2470 and name H )) 2.600 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.28957E-02 ppm1 8.249 ppm2 8.092 CV 1 ASSI { 377} (( segid " " and resid 2471 and name H )) (( segid " " and resid 2472 and name H )) 2.600 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.41736E-02 ppm1 8.249 ppm2 7.961 CV 1 ASSI { 378} (( segid " " and resid 2471 and name H )) (( segid " " and resid 2469 and name HA )) 3.900 1.900 1.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.54678E-03 ppm1 8.244 ppm2 4.591 CV 1 ASSI { 381} (( segid " " and resid 2471 and name H )) (( segid " " and resid 2470 and name HB3 )) 2.600 0.900 0.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.22939E-02 ppm1 8.248 ppm2 2.171 CV 1 ASSI { 382} (( segid " " and resid 2471 and name H )) (( segid " " and resid 2472 and name HB2 )) 4.200 2.200 1.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.84768E-03 ppm1 8.248 ppm2 1.996 CV 1 ASSI { 385} (( segid " " and resid 2471 and name H )) ( segid " " and resid 2428 and name HB% ) 3.900 1.900 1.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.61148E-03 ppm1 8.250 ppm2 1.682 CV 1 ASSI { 393} (( segid " " and resid 2469 and name H )) (( segid " " and resid 2469 and name HA )) 2.500 0.800 0.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.66616E-02 ppm1 8.102 ppm2 4.589 CV 1 ASSI { 394} (( segid " " and resid 2469 and name H )) (( segid " " and resid 2468 and name HA )) 3.100 1.200 1.200 peak 394 spectrum 1 weight 0.10000E+01 volume 0.17665E-02 ppm1 8.102 ppm2 4.475 CV 1 ASSI { 395} (( segid " " and resid 2469 and name H )) (( segid " " and resid 2466 and name HA )) 2.900 1.100 1.100 peak 395 spectrum 1 weight 0.10000E+01 volume 0.25203E-02 ppm1 8.104 ppm2 4.372 CV 1 ASSI { 396} (( segid " " and resid 2469 and name H )) (( segid " " and resid 2465 and name HA )) 3.300 1.300 1.300 peak 396 spectrum 1 weight 0.10000E+01 volume 0.15432E-02 ppm1 8.104 ppm2 4.221 CV 1 ASSI { 397} (( segid " " and resid 2469 and name H )) (( segid " " and resid 2469 and name HB3 )) 2.400 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.54257E-02 ppm1 8.103 ppm2 3.141 CV 1 ASSI { 400} (( segid " " and resid 2469 and name H )) ( segid " " and resid 2471 and name HG2%) 5.200 3.400 0.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.16824E-03 ppm1 8.101 ppm2 1.221 CV 1 ASSI { 401} (( segid " " and resid 2469 and name H )) ( segid " " and resid 2352 and name HD1%) 4.700 2.700 1.300 peak 401 spectrum 1 weight 0.10000E+01 volume 0.22000E-03 ppm1 8.105 ppm2 0.981 CV 1 ASSI { 402} (( segid " " and resid 2468 and name H )) (( segid " " and resid 2469 and name H )) 2.300 0.700 0.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.70307E-02 ppm1 8.389 ppm2 8.095 CV 1 ASSI { 403} (( segid " " and resid 2468 and name H )) (( segid " " and resid 2466 and name H )) 3.600 1.600 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.11518E-02 ppm1 8.391 ppm2 7.977 CV 1 ASSI { 404} (( segid " " and resid 2468 and name H )) (( segid " " and resid 2467 and name H )) 2.500 0.800 0.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.49307E-02 ppm1 8.389 ppm2 8.909 CV 1 ASSI { 405} (( segid " " and resid 2468 and name H )) (( segid " " and resid 2469 and name HA )) 4.300 2.300 1.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.77648E-03 ppm1 8.390 ppm2 4.595 CV 1 ASSI { 407} (( segid " " and resid 2468 and name H )) (( segid " " and resid 2466 and name HA )) 4.000 2.000 2.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.52412E-03 ppm1 8.390 ppm2 4.371 CV 1 ASSI { 408} (( segid " " and resid 2468 and name H )) (( segid " " and resid 2465 and name HA )) 2.900 1.000 1.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.37433E-02 ppm1 8.389 ppm2 4.217 CV 1 ASSI { 410} (( segid " " and resid 2468 and name H )) (( segid " " and resid 2469 and name HB3 )) 4.200 2.200 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.84118E-03 ppm1 8.389 ppm2 3.144 CV 1 ASSI { 413} (( segid " " and resid 2468 and name H )) (( segid " " and resid 2470 and name HB3 )) 4.500 2.500 1.500 peak 413 spectrum 1 weight 0.10000E+01 volume 0.41089E-03 ppm1 8.394 ppm2 2.158 CV 1 ASSI { 415} (( segid " " and resid 2468 and name H )) (( segid " " and resid 2464 and name HD3 )) 3.900 1.900 1.900 peak 415 spectrum 1 weight 0.10000E+01 volume 0.44001E-03 ppm1 8.391 ppm2 1.834 CV 1 ASSI { 416} (( segid " " and resid 2468 and name H )) ( segid " " and resid 2466 and name HB% ) 4.800 2.900 1.200 peak 416 spectrum 1 weight 0.10000E+01 volume 0.32030E-03 ppm1 8.388 ppm2 1.567 CV 1 ASSI { 417} (( segid " " and resid 2468 and name H )) ( segid " " and resid 2471 and name HG2%) 5.200 3.300 0.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.12618E-03 ppm1 8.393 ppm2 1.218 CV 1 ASSI { 418} (( segid " " and resid 2468 and name H )) ( segid " " and resid 2352 and name HD1%) 4.600 2.700 1.400 peak 418 spectrum 1 weight 0.10000E+01 volume 0.32030E-03 ppm1 8.390 ppm2 0.996 CV 1 ASSI { 420} (( segid " " and resid 2467 and name H )) (( segid " " and resid 2469 and name H )) 3.200 1.300 1.300 peak 420 spectrum 1 weight 0.10000E+01 volume 0.17083E-02 ppm1 8.916 ppm2 8.103 CV 1 ASSI { 421} (( segid " " and resid 2467 and name H )) (( segid " " and resid 2466 and name H )) 2.500 0.800 0.800 peak 421 spectrum 1 weight 0.10000E+01 volume 0.50407E-02 ppm1 8.916 ppm2 7.979 CV 1 ASSI { 422} (( segid " " and resid 2467 and name H )) (( segid " " and resid 2466 and name HA )) 3.200 1.300 1.300 peak 422 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 8.915 ppm2 4.372 CV 1 ASSI { 423} (( segid " " and resid 2467 and name H )) (( segid " " and resid 2463 and name HA )) 3.300 1.400 1.400 peak 423 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 8.915 ppm2 3.508 CV 1 ASSI { 424} (( segid " " and resid 2467 and name H )) (( segid " " and resid 2469 and name HB3 )) 4.100 2.100 1.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.46913E-03 ppm1 8.921 ppm2 3.120 CV 1 ASSI { 426} (( segid " " and resid 2467 and name H )) (( segid " " and resid 2468 and name HB3 )) 5.600 4.000 0.400 peak 426 spectrum 1 weight 0.10000E+01 volume 0.38500E-03 ppm1 8.909 ppm2 2.700 CV 1 ASSI { 427} (( segid " " and resid 2467 and name H )) (( segid " " and resid 2463 and name HB )) 3.400 3.400 2.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.44001E-03 ppm1 8.914 ppm2 2.408 CV 1 ASSI { 428} (( segid " " and resid 2467 and name H )) (( segid " " and resid 2352 and name HG13)) 4.000 2.000 2.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.68264E-03 ppm1 8.916 ppm2 2.088 CV 1 ASSI { 429} (( segid " " and resid 2467 and name H )) (( segid " " and resid 2465 and name HB3 )) 3.200 3.200 2.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.65031E-03 ppm1 8.912 ppm2 1.979 CV 1 ASSI { 430} (( segid " " and resid 2467 and name H )) (( segid " " and resid 2464 and name HD3 )) 4.100 2.100 1.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.52412E-03 ppm1 8.913 ppm2 1.813 CV 1 ASSI { 432} (( segid " " and resid 2467 and name H )) ( segid " " and resid 2352 and name HD1%) 3.500 1.500 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.98358E-03 ppm1 8.917 ppm2 0.988 CV 1 ASSI { 435} (( segid " " and resid 2466 and name H )) (( segid " " and resid 2465 and name H )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.45942E-02 ppm1 7.985 ppm2 8.124 CV 1 ASSI { 436} (( segid " " and resid 2466 and name H )) (( segid " " and resid 2466 and name HA )) 2.500 0.800 0.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.60501E-02 ppm1 7.986 ppm2 4.372 CV 1 ASSI { 437} (( segid " " and resid 2466 and name H )) (( segid " " and resid 2465 and name HA )) 3.000 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.24653E-02 ppm1 7.986 ppm2 4.226 CV 1 ASSI { 438} (( segid " " and resid 2466 and name H )) (( segid " " and resid 2463 and name HA )) 3.100 1.200 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.15853E-02 ppm1 7.986 ppm2 3.516 CV 1 ASSI { 439} (( segid " " and resid 2466 and name H )) (( segid " " and resid 2465 and name HD3 )) 3.800 1.800 1.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.21677E-03 ppm1 7.993 ppm2 3.332 CV 1 OR { 439} (( segid " " and resid 2466 and name H )) (( segid " " and resid 2465 and name HD2 )) ASSI { 440} (( segid " " and resid 2466 and name H )) (( segid " " and resid 2469 and name HB3 )) 4.500 2.600 1.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.40766E-03 ppm1 7.988 ppm2 3.154 CV 1 ASSI { 441} (( segid " " and resid 2466 and name H )) (( segid " " and resid 2468 and name HB2 )) 4.300 2.400 1.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.39148E-03 ppm1 7.988 ppm2 2.969 CV 1 ASSI { 442} (( segid " " and resid 2466 and name H )) (( segid " " and resid 2464 and name HB3 )) 3.200 3.200 2.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.62766E-03 ppm1 7.980 ppm2 2.112 CV 1 ASSI { 445} (( segid " " and resid 2466 and name H )) ( segid " " and resid 2466 and name HB% ) 2.600 0.900 0.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.35395E-02 ppm1 7.986 ppm2 1.574 CV 1 ASSI { 446} (( segid " " and resid 2466 and name H )) ( segid " " and resid 2352 and name HD1%) 4.800 2.800 1.200 peak 446 spectrum 1 weight 0.10000E+01 volume 0.42060E-03 ppm1 7.984 ppm2 0.991 CV 1 ASSI { 448} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2467 and name H )) 3.800 1.800 1.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.66325E-03 ppm1 8.133 ppm2 8.912 CV 1 ASSI { 449} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2461 and name HA )) 3.400 1.400 1.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.12456E-02 ppm1 8.132 ppm2 4.606 CV 1 ASSI { 451} (( segid " " and resid 2357 and name H )) (( segid " " and resid 2355 and name HA )) 4.000 2.000 2.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.54354E-03 ppm1 8.135 ppm2 4.391 CV 1 ASSI { 454} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2465 and name HD2 )) 5.000 3.200 1.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.31059E-03 ppm1 8.141 ppm2 3.333 CV 1 OR { 454} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2465 and name HD3 )) ASSI { 455} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2468 and name HB2 )) 4.500 2.500 1.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.29442E-03 ppm1 8.135 ppm2 2.959 CV 1 ASSI { 459} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2439 and name H )) 2.400 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.39504E-02 ppm1 8.017 ppm2 8.217 CV 1 ASSI { 460} (( segid " " and resid 2464 and name H )) (( segid " " and resid 2465 and name H )) 2.600 0.900 0.900 peak 460 spectrum 1 weight 0.10000E+01 volume 0.31286E-02 ppm1 8.010 ppm2 8.130 CV 1 ASSI { 461} (( segid " " and resid 2464 and name H )) (( segid " " and resid 2467 and name H )) 4.100 2.100 1.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.39148E-03 ppm1 8.010 ppm2 8.912 CV 1 ASSI { 462} (( segid " " and resid 2464 and name H )) (( segid " " and resid 2461 and name H )) 3.200 3.200 2.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.56619E-03 ppm1 8.013 ppm2 8.503 CV 1 ASSI { 464} (( segid " " and resid 2464 and name H )) (( segid " " and resid 2461 and name HA )) 3.000 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.19704E-02 ppm1 8.009 ppm2 4.605 CV 1 ASSI { 466} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2435 and name HA )) 2.800 1.000 1.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.20059E-02 ppm1 8.016 ppm2 3.803 CV 1 ASSI { 467} (( segid " " and resid 2464 and name H )) (( segid " " and resid 2463 and name HA )) 3.300 1.300 1.300 peak 467 spectrum 1 weight 0.10000E+01 volume 0.12359E-02 ppm1 8.007 ppm2 3.519 CV 1 ASSI { 474} (( segid " " and resid 2464 and name H )) ( segid " " and resid 2463 and name HG2%) 5.400 3.600 0.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.17471E-03 ppm1 8.011 ppm2 1.171 CV 1 ASSI { 477} (( segid " " and resid 2463 and name H )) (( segid " " and resid 2461 and name H )) 4.000 2.000 2.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.46913E-03 ppm1 8.262 ppm2 8.513 CV 1 ASSI { 479} (( segid " " and resid 2463 and name H )) (( segid " " and resid 2459 and name HA )) 3.000 3.000 3.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.92209E-03 ppm1 8.265 ppm2 4.412 CV 1 ASSI { 480} (( segid " " and resid 2463 and name H )) (( segid " " and resid 2462 and name HA )) 3.200 1.300 1.300 peak 480 spectrum 1 weight 0.10000E+01 volume 0.13297E-02 ppm1 8.262 ppm2 4.280 CV 1 ASSI { 481} (( segid " " and resid 2463 and name H )) (( segid " " and resid 2464 and name HA )) 4.500 2.500 1.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.47560E-03 ppm1 8.259 ppm2 3.947 CV 1 ASSI { 482} (( segid " " and resid 2463 and name H )) (( segid " " and resid 2460 and name HA3 )) 4.400 2.400 1.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.51442E-03 ppm1 8.266 ppm2 3.831 CV 1 ASSI { 483} (( segid " " and resid 2463 and name H )) (( segid " " and resid 2460 and name HA2 )) 3.300 1.300 1.300 peak 483 spectrum 1 weight 0.10000E+01 volume 0.10773E-02 ppm1 8.259 ppm2 3.701 CV 1 ASSI { 487} (( segid " " and resid 2463 and name H )) ( segid " " and resid 2355 and name HB% ) 3.900 1.900 1.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.71178E-03 ppm1 8.259 ppm2 1.623 CV 1 ASSI { 490} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2460 and name H )) 3.400 1.400 1.400 peak 490 spectrum 1 weight 0.10000E+01 volume 0.11550E-02 ppm1 7.992 ppm2 8.963 CV 1 ASSI { 491} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2461 and name H )) 2.400 0.700 0.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.58204E-02 ppm1 7.990 ppm2 8.515 CV 1 ASSI { 492} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2463 and name H )) 2.500 0.800 0.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.38436E-02 ppm1 7.991 ppm2 8.249 CV 1 ASSI { 493} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2461 and name HA )) 3.100 1.200 1.200 peak 493 spectrum 1 weight 0.10000E+01 volume 0.21321E-02 ppm1 7.990 ppm2 4.604 CV 1 ASSI { 494} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2459 and name HA )) 2.800 1.000 1.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.29183E-02 ppm1 7.993 ppm2 4.408 CV 1 ASSI { 495} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2462 and name HA )) 2.400 0.700 0.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.80528E-02 ppm1 7.991 ppm2 4.283 CV 1 ASSI { 496} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2460 and name HA2 )) 3.600 1.600 1.600 peak 496 spectrum 1 weight 0.10000E+01 volume 0.65678E-03 ppm1 7.992 ppm2 3.697 CV 1 ASSI { 497} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2463 and name HA )) 4.400 2.400 1.600 peak 497 spectrum 1 weight 0.10000E+01 volume 0.54354E-03 ppm1 7.987 ppm2 3.520 CV 1 ASSI { 498} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2465 and name HD2 )) 4.300 2.300 1.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.40119E-03 ppm1 7.989 ppm2 3.341 CV 1 ASSI { 501} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2463 and name HB )) 4.500 2.500 1.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.63089E-03 ppm1 7.994 ppm2 2.433 CV 1 ASSI { 502} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2464 and name HB3 )) 4.300 2.400 1.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.37853E-03 ppm1 7.994 ppm2 2.150 CV 1 ASSI { 503} (( segid " " and resid 2462 and name H )) (( segid " " and resid 2465 and name HB3 )) 4.100 2.100 1.900 peak 503 spectrum 1 weight 0.10000E+01 volume 0.55972E-03 ppm1 7.991 ppm2 1.966 CV 1 ASSI { 505} (( segid " " and resid 2462 and name H )) ( segid " " and resid 2463 and name HG2%) 4.900 3.000 1.100 peak 505 spectrum 1 weight 0.10000E+01 volume 0.33648E-03 ppm1 7.990 ppm2 1.175 CV 1 ASSI { 506} (( segid " " and resid 2462 and name H )) ( segid " " and resid 2359 and name HD1%) 4.600 2.600 1.400 peak 506 spectrum 1 weight 0.10000E+01 volume 0.25883E-03 ppm1 7.991 ppm2 1.015 CV 1 ASSI { 507} (( segid " " and resid 2462 and name H )) ( segid " " and resid 2439 and name HD1%) 4.000 2.000 2.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.16177E-03 ppm1 8.000 ppm2 0.974 CV 1 ASSI { 508} (( segid " " and resid 2302 and name H )) (( segid " " and resid 2301 and name HB2 )) 2.900 1.100 1.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.17924E-02 ppm1 8.534 ppm2 2.110 CV 1 ASSI { 510} (( segid " " and resid 2409 and name H )) (( segid " " and resid 2411 and name H )) 3.900 1.900 1.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.61472E-03 ppm1 8.328 ppm2 8.878 CV 1 ASSI { 511} (( segid " " and resid 2306 and name H )) (( segid " " and resid 2307 and name H )) 2.700 0.900 0.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.28439E-02 ppm1 8.182 ppm2 8.271 CV 1 ASSI { 512} (( segid " " and resid 2310 and name H )) (( segid " " and resid 2310 and name HB3 )) 3.400 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.43419E-02 ppm1 8.331 ppm2 1.999 CV 1 ASSI { 513} (( segid " " and resid 2310 and name H )) (( segid " " and resid 2310 and name HB2 )) 2.500 0.800 0.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.26951E-02 ppm1 8.331 ppm2 1.649 CV 1 ASSI { 516} (( segid " " and resid 2319 and name H )) (( segid " " and resid 2320 and name H )) 2.600 0.800 0.800 peak 516 spectrum 1 weight 0.10000E+01 volume 0.39148E-02 ppm1 7.827 ppm2 8.560 CV 1 ASSI { 517} (( segid " " and resid 2319 and name H )) (( segid " " and resid 2317 and name H )) 3.700 1.700 1.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.67943E-03 ppm1 7.832 ppm2 8.346 CV 1 ASSI { 519} (( segid " " and resid 2319 and name H )) (( segid " " and resid 2405 and name HA )) 4.300 2.300 1.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.54678E-03 ppm1 7.825 ppm2 4.336 CV 1 ASSI { 520} (( segid " " and resid 2319 and name H )) (( segid " " and resid 2319 and name HA )) 2.500 0.800 0.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.62669E-02 ppm1 7.827 ppm2 4.231 CV 1 ASSI { 521} (( segid " " and resid 2319 and name H )) (( segid " " and resid 2317 and name HA )) 3.700 1.700 1.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.69557E-03 ppm1 7.828 ppm2 4.104 CV 1 ASSI { 522} (( segid " " and resid 2319 and name H )) (( segid " " and resid 2316 and name HA )) 3.200 1.300 1.300 peak 522 spectrum 1 weight 0.10000E+01 volume 0.12262E-02 ppm1 7.828 ppm2 3.740 CV 1 ASSI { 523} (( segid " " and resid 2319 and name H )) (( segid " " and resid 2317 and name HB2 )) 5.200 3.400 0.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.20059E-03 ppm1 7.828 ppm2 2.180 CV 1 OR { 523} (( segid " " and resid 2319 and name H )) (( segid " " and resid 2317 and name HB3 )) ASSI { 526} (( segid " " and resid 2319 and name H )) ( segid " " and resid 2318 and name HB% ) 3.100 1.200 1.200 peak 526 spectrum 1 weight 0.10000E+01 volume 0.18118E-02 ppm1 7.826 ppm2 1.602 CV 1 ASSI { 527} (( segid " " and resid 2320 and name H )) (( segid " " and resid 2321 and name H )) 2.500 0.800 0.800 peak 527 spectrum 1 weight 0.10000E+01 volume 0.42998E-02 ppm1 8.568 ppm2 8.127 CV 1 ASSI { 529} (( segid " " and resid 2320 and name H )) (( segid " " and resid 2322 and name H )) 4.000 2.000 2.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.68592E-03 ppm1 8.565 ppm2 7.634 CV 1 ASSI { 530} (( segid " " and resid 2320 and name H )) (( segid " " and resid 2319 and name HA )) 3.200 1.300 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.20415E-02 ppm1 8.566 ppm2 4.232 CV 1 ASSI { 531} (( segid " " and resid 2320 and name H )) (( segid " " and resid 2317 and name HA )) 2.900 1.100 1.100 peak 531 spectrum 1 weight 0.10000E+01 volume 0.21062E-02 ppm1 8.568 ppm2 4.106 CV 1 ASSI { 533} (( segid " " and resid 2320 and name H )) (( segid " " and resid 2316 and name HA )) 4.000 2.000 2.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.46589E-03 ppm1 8.573 ppm2 3.739 CV 1 ASSI { 534} (( segid " " and resid 2320 and name H )) (( segid " " and resid 2321 and name HB3 )) 4.100 2.100 1.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.98679E-03 ppm1 8.571 ppm2 2.055 CV 1 ASSI { 536} (( segid " " and resid 2320 and name H )) ( segid " " and resid 2320 and name HB% ) 2.700 0.900 0.900 peak 536 spectrum 1 weight 0.10000E+01 volume 0.33874E-02 ppm1 8.568 ppm2 1.578 CV 1 ASSI { 538} (( segid " " and resid 2320 and name H )) ( segid " " and resid 2316 and name HG2%) 4.300 2.400 1.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.20059E-03 ppm1 8.570 ppm2 1.110 CV 1 ASSI { 540} (( segid " " and resid 2321 and name H )) (( segid " " and resid 2319 and name H )) 3.600 1.600 1.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.77648E-03 ppm1 8.133 ppm2 7.823 CV 1 ASSI { 541} (( segid " " and resid 2321 and name H )) (( segid " " and resid 2323 and name H )) 3.400 1.500 1.500 peak 541 spectrum 1 weight 0.10000E+01 volume 0.11388E-02 ppm1 8.135 ppm2 7.712 CV 1 ASSI { 545} (( segid " " and resid 2321 and name H )) (( segid " " and resid 2320 and name HA )) 3.000 1.100 1.100 peak 545 spectrum 1 weight 0.10000E+01 volume 0.20254E-02 ppm1 8.134 ppm2 4.009 CV 1 ASSI { 547} (( segid " " and resid 2321 and name H )) ( segid " " and resid 2320 and name HB% ) 2.900 1.100 1.100 peak 547 spectrum 1 weight 0.10000E+01 volume 0.24265E-02 ppm1 8.133 ppm2 1.583 CV 1 ASSI { 548} (( segid " " and resid 2322 and name H )) (( segid " " and resid 2321 and name H )) 2.500 0.800 0.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.51668E-02 ppm1 7.625 ppm2 8.124 CV 1 ASSI { 550} (( segid " " and resid 2322 and name H )) (( segid " " and resid 2322 and name HA )) 2.300 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.76616E-02 ppm1 7.625 ppm2 4.156 CV 1 ASSI { 551} (( segid " " and resid 2322 and name H )) (( segid " " and resid 2320 and name HA )) 3.700 1.700 1.700 peak 551 spectrum 1 weight 0.10000E+01 volume 0.87681E-03 ppm1 7.629 ppm2 4.012 CV 1 ASSI { 552} (( segid " " and resid 2322 and name H )) (( segid " " and resid 2322 and name HE3 )) 4.100 2.100 1.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.63089E-03 ppm1 7.623 ppm2 3.042 CV 1 ASSI { 554} (( segid " " and resid 2322 and name H )) (( segid " " and resid 2322 and name HG3 )) 3.400 1.400 1.400 peak 554 spectrum 1 weight 0.10000E+01 volume 0.10936E-02 ppm1 7.625 ppm2 1.543 CV 1 OR { 554} (( segid " " and resid 2322 and name H )) (( segid " " and resid 2322 and name HG2 )) ASSI { 555} (( segid " " and resid 2322 and name H )) ( segid " " and resid 2323 and name HD2%) 5.400 3.700 0.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.19412E-03 ppm1 7.628 ppm2 0.956 CV 1 ASSI { 556} (( segid " " and resid 2323 and name H )) (( segid " " and resid 2322 and name H )) 2.400 0.700 0.700 peak 556 spectrum 1 weight 0.10000E+01 volume 0.50795E-02 ppm1 7.696 ppm2 7.626 CV 1 ASSI { 562} (( segid " " and resid 2323 and name H )) ( segid " " and resid 2323 and name HD2%) 4.100 2.100 1.900 peak 562 spectrum 1 weight 0.10000E+01 volume 0.45618E-03 ppm1 7.698 ppm2 0.948 CV 1 OR { 562} (( segid " " and resid 2323 and name H )) ( segid " " and resid 2323 and name HD1%) ASSI { 563} (( segid " " and resid 2323 and name H )) (( segid " " and resid 2320 and name HA )) 3.400 1.400 1.400 peak 563 spectrum 1 weight 0.10000E+01 volume 0.14591E-02 ppm1 7.697 ppm2 4.007 CV 1 ASSI { 564} (( segid " " and resid 2323 and name H )) (( segid " " and resid 2322 and name HA )) 3.100 1.200 1.200 peak 564 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 7.698 ppm2 4.147 CV 1 ASSI { 566} (( segid " " and resid 2324 and name H )) (( segid " " and resid 2325 and name H )) 2.500 0.800 0.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.39601E-02 ppm1 7.757 ppm2 7.581 CV 1 ASSI { 567} (( segid " " and resid 2324 and name H )) (( segid " " and resid 2326 and name H )) 3.900 1.900 1.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.76034E-03 ppm1 7.758 ppm2 7.409 CV 1 ASSI { 568} (( segid " " and resid 2323 and name H )) (( segid " " and resid 2324 and name H )) 2.900 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.18506E-02 ppm1 7.697 ppm2 7.764 CV 1 ASSI { 569} (( segid " " and resid 2324 and name H )) (( segid " " and resid 2323 and name HA )) 2.900 1.000 1.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.25300E-02 ppm1 7.758 ppm2 4.224 CV 1 ASSI { 573} (( segid " " and resid 2324 and name H )) (( segid " " and resid 2324 and name HB2 )) 2.100 0.600 0.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.99101E-02 ppm1 7.756 ppm2 2.251 CV 1 ASSI { 574} (( segid " " and resid 2324 and name H )) (( segid " " and resid 2323 and name HB2 )) 2.700 0.900 0.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.24395E-02 ppm1 7.756 ppm2 2.118 CV 1 ASSI { 575} (( segid " " and resid 2324 and name H )) (( segid " " and resid 2323 and name HG )) 3.700 1.700 1.700 peak 575 spectrum 1 weight 0.10000E+01 volume 0.14430E-02 ppm1 7.756 ppm2 1.973 CV 1 ASSI { 576} (( segid " " and resid 2324 and name H )) (( segid " " and resid 2323 and name HB3 )) 3.100 1.200 1.200 peak 576 spectrum 1 weight 0.10000E+01 volume 0.20091E-02 ppm1 7.757 ppm2 1.545 CV 1 ASSI { 577} (( segid " " and resid 2324 and name H )) ( segid " " and resid 2323 and name HD2%) 4.600 2.700 1.400 peak 577 spectrum 1 weight 0.10000E+01 volume 0.46589E-03 ppm1 7.758 ppm2 0.953 CV 1 ASSI { 578} (( segid " " and resid 2325 and name H )) (( segid " " and resid 2326 and name H )) 2.400 0.700 0.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.51765E-02 ppm1 7.586 ppm2 7.409 CV 1 ASSI { 581} (( segid " " and resid 2325 and name H )) (( segid " " and resid 2323 and name HA )) 3.600 1.600 1.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.76677E-03 ppm1 7.586 ppm2 4.220 CV 1 ASSI { 584} (( segid " " and resid 2325 and name H )) (( segid " " and resid 2325 and name HB3 )) 3.500 1.600 1.600 peak 584 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.586 ppm2 2.356 CV 1 ASSI { 585} (( segid " " and resid 2325 and name H )) (( segid " " and resid 2324 and name HB2 )) 3.200 1.300 1.300 peak 585 spectrum 1 weight 0.10000E+01 volume 0.15012E-02 ppm1 7.587 ppm2 2.254 CV 1 OR { 585} (( segid " " and resid 2325 and name H )) (( segid " " and resid 2324 and name HB3 )) ASSI { 587} (( segid " " and resid 2325 and name H )) (( segid " " and resid 2326 and name HG )) 3.400 1.400 1.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.10871E-02 ppm1 7.586 ppm2 1.895 CV 1 ASSI { 588} (( segid " " and resid 2325 and name H )) (( segid " " and resid 2323 and name HB3 )) 4.100 2.100 1.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.76998E-03 ppm1 7.593 ppm2 1.534 CV 1 ASSI { 589} (( segid " " and resid 2325 and name H )) ( segid " " and resid 2326 and name HD1%) 5.400 3.600 0.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.18118E-03 ppm1 7.582 ppm2 1.039 CV 1 ASSI { 590} (( segid " " and resid 2325 and name H )) ( segid " " and resid 2326 and name HD2%) 4.900 3.000 1.100 peak 590 spectrum 1 weight 0.10000E+01 volume 0.28148E-03 ppm1 7.587 ppm2 0.957 CV 1 ASSI { 591} (( segid " " and resid 2326 and name H )) (( segid " " and resid 2327 and name H )) 3.500 1.500 1.500 peak 591 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 7.419 ppm2 8.215 CV 1 ASSI { 594} (( segid " " and resid 2326 and name H )) (( segid " " and resid 2326 and name HA )) 2.400 0.700 0.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.68331E-02 ppm1 7.418 ppm2 4.366 CV 1 ASSI { 595} (( segid " " and resid 2326 and name H )) (( segid " " and resid 2323 and name HA )) 3.700 1.700 1.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.97708E-03 ppm1 7.416 ppm2 4.221 CV 1 ASSI { 596} (( segid " " and resid 2326 and name H )) (( segid " " and resid 2324 and name HA )) 3.200 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.12650E-02 ppm1 7.417 ppm2 4.132 CV 1 ASSI { 597} (( segid " " and resid 2326 and name H )) (( segid " " and resid 2325 and name HG3 )) 4.200 2.200 1.800 peak 597 spectrum 1 weight 0.10000E+01 volume 0.70528E-03 ppm1 7.419 ppm2 2.552 CV 1 ASSI { 598} (( segid " " and resid 2326 and name H )) (( segid " " and resid 2325 and name HB3 )) 3.800 1.800 1.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 7.415 ppm2 2.348 CV 1 ASSI { 599} (( segid " " and resid 2326 and name H )) (( segid " " and resid 2324 and name HB2 )) 4.400 2.500 1.600 peak 599 spectrum 1 weight 0.10000E+01 volume 0.21677E-03 ppm1 7.420 ppm2 2.267 CV 1 ASSI { 601} (( segid " " and resid 2326 and name H )) (( segid " " and resid 2327 and name HB2 )) 3.900 1.900 1.900 peak 601 spectrum 1 weight 0.10000E+01 volume 0.49824E-03 ppm1 7.422 ppm2 1.759 CV 1 ASSI { 603} (( segid " " and resid 2326 and name H )) ( segid " " and resid 2326 and name HD1%) 4.400 2.400 1.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.80561E-03 ppm1 7.417 ppm2 1.012 CV 1 ASSI { 605} (( segid " " and resid 2424 and name H )) (( segid " " and resid 2423 and name H )) 2.800 1.000 1.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.22356E-02 ppm1 8.212 ppm2 7.940 CV 1 ASSI { 606} (( segid " " and resid 2331 and name H )) (( segid " " and resid 2330 and name H )) 4.100 2.100 1.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.64707E-03 ppm1 8.212 ppm2 8.353 CV 1 ASSI { 607} (( segid " " and resid 2331 and name H )) (( segid " " and resid 2331 and name HA )) 2.200 0.600 0.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.11702E-01 ppm1 8.236 ppm2 4.700 CV 1 ASSI { 609} (( segid " " and resid 2424 and name H )) (( segid " " and resid 2423 and name HA )) 3.200 1.300 1.300 peak 609 spectrum 1 weight 0.10000E+01 volume 0.15238E-02 ppm1 8.210 ppm2 4.235 CV 1 ASSI { 612} (( segid " " and resid 2424 and name H )) (( segid " " and resid 2420 and name HB3 )) 3.500 1.500 1.500 peak 612 spectrum 1 weight 0.10000E+01 volume 0.88646E-03 ppm1 8.234 ppm2 3.927 CV 1 ASSI { 614} (( segid " " and resid 2331 and name H )) (( segid " " and resid 2331 and name HE2 )) 5.800 4.200 0.200 peak 614 spectrum 1 weight 0.10000E+01 volume 0.61472E-04 ppm1 8.231 ppm2 3.091 CV 1 OR { 614} (( segid " " and resid 2331 and name H )) (( segid " " and resid 2331 and name HE3 )) ASSI { 615} (( segid " " and resid 2424 and name H )) (( segid " " and resid 2424 and name HB3 )) 2.400 0.700 0.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.46816E-02 ppm1 8.212 ppm2 2.066 CV 1 ASSI { 616} (( segid " " and resid 2331 and name H )) (( segid " " and resid 2331 and name HB2 )) 2.200 0.600 0.600 peak 616 spectrum 1 weight 0.10000E+01 volume 0.90816E-02 ppm1 8.235 ppm2 1.795 CV 1 ASSI { 617} (( segid " " and resid 2424 and name H )) (( segid " " and resid 2423 and name HG2 )) 3.400 1.500 1.500 peak 617 spectrum 1 weight 0.10000E+01 volume 0.89295E-03 ppm1 8.211 ppm2 1.677 CV 1 ASSI { 618} (( segid " " and resid 2331 and name H )) (( segid " " and resid 2331 and name HG3 )) 3.400 1.500 1.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.77326E-03 ppm1 8.232 ppm2 1.549 CV 1 OR { 618} (( segid " " and resid 2331 and name H )) (( segid " " and resid 2331 and name HG2 )) ASSI { 622} (( segid " " and resid 2326 and name H )) (( segid " " and resid 2326 and name HG )) 2.400 0.700 0.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.49436E-02 ppm1 7.419 ppm2 1.897 CV 1 ASSI { 625} (( segid " " and resid 2330 and name H )) (( segid " " and resid 2329 and name H )) 3.800 1.800 1.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.88646E-03 ppm1 8.352 ppm2 8.578 CV 1 ASSI { 629} (( segid " " and resid 2329 and name H )) (( segid " " and resid 2328 and name HD2 )) 3.500 1.500 1.500 peak 629 spectrum 1 weight 0.10000E+01 volume 0.35912E-03 ppm1 8.589 ppm2 3.765 CV 1 OR { 629} (( segid " " and resid 2329 and name H )) (( segid " " and resid 2328 and name HD3 )) ASSI { 630} (( segid " " and resid 2329 and name H )) (( segid " " and resid 2329 and name HD2 )) 4.800 2.900 1.200 peak 630 spectrum 1 weight 0.10000E+01 volume 0.22971E-03 ppm1 8.586 ppm2 3.307 CV 1 OR { 630} (( segid " " and resid 2329 and name H )) (( segid " " and resid 2329 and name HD3 )) ASSI { 632} (( segid " " and resid 2330 and name H )) (( segid " " and resid 2329 and name HB3 )) 3.600 1.700 1.700 peak 632 spectrum 1 weight 0.10000E+01 volume 0.10029E-02 ppm1 8.355 ppm2 1.930 CV 1 OR { 632} (( segid " " and resid 2330 and name H )) (( segid " " and resid 2329 and name HB2 )) ASSI { 633} (( segid " " and resid 2330 and name H )) (( segid " " and resid 2329 and name HG3 )) 4.600 2.700 1.400 peak 633 spectrum 1 weight 0.10000E+01 volume 0.35589E-03 ppm1 8.356 ppm2 1.796 CV 1 OR { 633} (( segid " " and resid 2330 and name H )) (( segid " " and resid 2329 and name HG2 )) ASSI { 642} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2333 and name HE2 )) 5.000 3.100 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.22971E-03 ppm1 8.443 ppm2 3.125 CV 1 OR { 642} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2333 and name HE3 )) ASSI { 643} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2332 and name HB3 )) 3.800 1.800 1.800 peak 643 spectrum 1 weight 0.10000E+01 volume 0.22486E-02 ppm1 8.439 ppm2 2.421 CV 1 ASSI { 644} (( segid " " and resid 2334 and name H )) (( segid " " and resid 2334 and name HG2 )) 3.400 1.400 1.400 peak 644 spectrum 1 weight 0.10000E+01 volume 0.20868E-02 ppm1 8.528 ppm2 2.379 CV 1 OR { 644} (( segid " " and resid 2334 and name H )) (( segid " " and resid 2334 and name HG3 )) ASSI { 645} (( segid " " and resid 2334 and name H )) (( segid " " and resid 2334 and name HB3 )) 2.900 1.100 1.100 peak 645 spectrum 1 weight 0.10000E+01 volume 0.34133E-02 ppm1 8.528 ppm2 2.205 CV 1 ASSI { 646} (( segid " " and resid 2334 and name H )) (( segid " " and resid 2334 and name HB2 )) 2.400 0.700 0.700 peak 646 spectrum 1 weight 0.10000E+01 volume 0.69624E-02 ppm1 8.528 ppm2 2.046 CV 1 ASSI { 647} (( segid " " and resid 2334 and name H )) (( segid " " and resid 2333 and name HB2 )) 3.300 1.400 1.400 peak 647 spectrum 1 weight 0.10000E+01 volume 0.16597E-02 ppm1 8.528 ppm2 1.916 CV 1 OR { 647} (( segid " " and resid 2334 and name H )) (( segid " " and resid 2333 and name HB3 )) ASSI { 648} (( segid " " and resid 2334 and name H )) (( segid " " and resid 2333 and name HG3 )) 3.800 1.800 1.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.80561E-03 ppm1 8.527 ppm2 1.543 CV 1 OR { 648} (( segid " " and resid 2334 and name H )) (( segid " " and resid 2333 and name HG2 )) ASSI { 649} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2333 and name HG3 )) 3.300 1.400 1.400 peak 649 spectrum 1 weight 0.10000E+01 volume 0.15886E-02 ppm1 8.438 ppm2 1.552 CV 1 OR { 649} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2333 and name HG2 )) ASSI { 650} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2332 and name HG2 )) 4.000 2.000 2.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.42060E-03 ppm1 8.440 ppm2 2.146 CV 1 ASSI { 651} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2332 and name HB2 )) 3.500 1.500 1.500 peak 651 spectrum 1 weight 0.10000E+01 volume 0.20351E-02 ppm1 8.439 ppm2 2.034 CV 1 ASSI { 652} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2333 and name HB3 )) 2.700 0.900 0.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.42966E-02 ppm1 8.438 ppm2 1.914 CV 1 OR { 652} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2333 and name HB2 )) ASSI { 653} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2333 and name HD3 )) 4.600 2.600 1.400 peak 653 spectrum 1 weight 0.10000E+01 volume 0.41736E-03 ppm1 8.440 ppm2 1.790 CV 1 OR { 653} (( segid " " and resid 2333 and name H )) (( segid " " and resid 2333 and name HD2 )) ASSI { 654} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2411 and name H )) 2.500 0.800 0.800 peak 654 spectrum 1 weight 0.10000E+01 volume 0.47074E-02 ppm1 8.266 ppm2 8.883 CV 1 ASSI { 655} (( segid " " and resid 2335 and name H )) (( segid " " and resid 2334 and name H )) 3.300 1.400 1.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.22583E-02 ppm1 8.275 ppm2 8.522 CV 1 ASSI { 657} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2409 and name HG3 )) 4.400 2.400 1.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.67293E-03 ppm1 8.267 ppm2 2.529 CV 1 ASSI { 660} (( segid " " and resid 2335 and name H )) (( segid " " and resid 2334 and name HB2 )) 3.500 1.500 1.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.22453E-02 ppm1 8.275 ppm2 2.043 CV 1 ASSI { 661} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2407 and name HG )) 4.000 2.000 2.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.58560E-03 ppm1 8.273 ppm2 1.801 CV 1 ASSI { 662} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2407 and name HB2 )) 4.200 2.200 1.800 peak 662 spectrum 1 weight 0.10000E+01 volume 0.60825E-03 ppm1 8.267 ppm2 1.694 CV 1 ASSI { 663} (( segid " " and resid 2335 and name H )) ( segid " " and resid 2335 and name HB% ) 2.700 0.900 0.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.43030E-02 ppm1 8.275 ppm2 1.517 CV 1 ASSI { 664} (( segid " " and resid 2410 and name H )) ( segid " " and resid 2411 and name HB% ) 4.800 2.900 1.200 peak 664 spectrum 1 weight 0.10000E+01 volume 0.42383E-03 ppm1 8.266 ppm2 1.384 CV 1 ASSI { 665} (( segid " " and resid 2410 and name H )) ( segid " " and resid 2407 and name HD2%) 5.100 3.200 0.900 peak 665 spectrum 1 weight 0.10000E+01 volume 0.21677E-03 ppm1 8.261 ppm2 1.062 CV 1 ASSI { 666} (( segid " " and resid 2410 and name H )) ( segid " " and resid 2424 and name HD1%) 5.600 3.900 0.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.11971E-03 ppm1 8.268 ppm2 0.905 CV 1 ASSI { 667} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2408 and name HB3 )) 3.500 1.600 1.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.34295E-03 ppm1 8.271 ppm2 3.212 CV 1 ASSI { 668} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2412 and name HB2 )) 4.400 2.400 1.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.31383E-03 ppm1 8.268 ppm2 3.005 CV 1 ASSI { 669} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2409 and name HA )) 3.100 1.200 1.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.19347E-02 ppm1 8.266 ppm2 4.210 CV 1 ASSI { 670} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2411 and name HA )) 4.100 2.100 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.95122E-03 ppm1 8.267 ppm2 4.005 CV 1 ASSI { 671} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2406 and name HA )) 3.700 1.700 1.700 peak 671 spectrum 1 weight 0.10000E+01 volume 0.89295E-03 ppm1 8.263 ppm2 4.541 CV 1 ASSI { 672} (( segid " " and resid 2336 and name H )) (( segid " " and resid 2337 and name H )) 3.300 1.300 1.300 peak 672 spectrum 1 weight 0.10000E+01 volume 0.23391E-02 ppm1 8.204 ppm2 8.404 CV 1 ASSI { 674} (( segid " " and resid 2336 and name H )) (( segid " " and resid 2336 and name HB3 )) 2.800 1.000 1.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.44486E-02 ppm1 8.202 ppm2 2.797 CV 1 OR { 674} (( segid " " and resid 2336 and name H )) (( segid " " and resid 2336 and name HB2 )) ASSI { 675} (( segid " " and resid 2336 and name H )) ( segid " " and resid 2335 and name HB% ) 3.600 1.600 1.600 peak 675 spectrum 1 weight 0.10000E+01 volume 0.18021E-02 ppm1 8.202 ppm2 1.509 CV 1 ASSI { 676} (( segid " " and resid 2336 and name H )) (( segid " " and resid 2334 and name HB2 )) 2.900 2.900 3.100 peak 676 spectrum 1 weight 0.10000E+01 volume 0.11065E-02 ppm1 8.196 ppm2 2.045 CV 1 ASSI { 682} (( segid " " and resid 2344 and name H )) (( segid " " and resid 2342 and name HA )) 3.500 1.600 1.600 peak 682 spectrum 1 weight 0.10000E+01 volume 0.98029E-03 ppm1 8.218 ppm2 3.672 CV 1 ASSI { 684} (( segid " " and resid 2337 and name H )) (( segid " " and resid 2336 and name HA )) 2.100 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.16934E-01 ppm1 8.408 ppm2 4.675 CV 1 ASSI { 685} (( segid " " and resid 2337 and name H )) (( segid " " and resid 2337 and name HA )) 2.500 0.800 0.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.65484E-02 ppm1 8.407 ppm2 4.359 CV 1 ASSI { 686} (( segid " " and resid 2337 and name H )) (( segid " " and resid 2337 and name HG2 )) 3.300 1.400 1.400 peak 686 spectrum 1 weight 0.10000E+01 volume 0.15659E-02 ppm1 8.407 ppm2 2.384 CV 1 OR { 686} (( segid " " and resid 2337 and name H )) (( segid " " and resid 2337 and name HG3 )) ASSI { 687} (( segid " " and resid 2337 and name H )) (( segid " " and resid 2337 and name HB3 )) 3.100 1.200 1.200 peak 687 spectrum 1 weight 0.10000E+01 volume 0.37368E-02 ppm1 8.408 ppm2 2.208 CV 1 ASSI { 688} (( segid " " and resid 2337 and name H )) (( segid " " and resid 2337 and name HB2 )) 2.400 0.700 0.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.64222E-02 ppm1 8.409 ppm2 2.091 CV 1 ASSI { 689} (( segid " " and resid 2337 and name H )) ( segid " " and resid 2335 and name HB% ) 3.500 1.500 1.500 peak 689 spectrum 1 weight 0.10000E+01 volume 0.35912E-03 ppm1 8.407 ppm2 1.512 CV 1 ASSI { 690} (( segid " " and resid 2344 and name H )) (( segid " " and resid 2345 and name HG12)) 3.800 1.800 1.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.10159E-02 ppm1 8.209 ppm2 1.000 CV 1 ASSI { 692} (( segid " " and resid 2338 and name H )) (( segid " " and resid 2338 and name HA )) 2.600 0.800 0.800 peak 692 spectrum 1 weight 0.10000E+01 volume 0.53092E-02 ppm1 8.392 ppm2 4.439 CV 1 ASSI { 693} (( segid " " and resid 2338 and name H )) (( segid " " and resid 2337 and name HA )) 2.500 0.800 0.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.61536E-02 ppm1 8.392 ppm2 4.354 CV 1 ASSI { 697} (( segid " " and resid 2338 and name H )) (( segid " " and resid 2337 and name HB2 )) 3.600 1.700 1.700 peak 697 spectrum 1 weight 0.10000E+01 volume 0.12359E-02 ppm1 8.391 ppm2 2.092 CV 1 ASSI { 698} (( segid " " and resid 2338 and name H )) (( segid " " and resid 2339 and name HG )) 3.600 1.600 1.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.72470E-03 ppm1 8.392 ppm2 1.736 CV 1 ASSI { 699} (( segid " " and resid 2339 and name H )) (( segid " " and resid 2340 and name H )) 3.300 1.400 1.400 peak 699 spectrum 1 weight 0.10000E+01 volume 0.22421E-02 ppm1 8.069 ppm2 8.568 CV 1 ASSI { 700} (( segid " " and resid 2315 and name H )) (( segid " " and resid 2317 and name H )) 3.300 1.300 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.15918E-02 ppm1 8.088 ppm2 8.351 CV 1 ASSI { 702} (( segid " " and resid 2339 and name H )) (( segid " " and resid 2338 and name HB3 )) 3.100 1.200 1.200 peak 702 spectrum 1 weight 0.10000E+01 volume 0.39892E-02 ppm1 8.071 ppm2 3.988 CV 1 ASSI { 704} (( segid " " and resid 2339 and name H )) (( segid " " and resid 2337 and name HB3 )) 3.300 1.400 1.400 peak 704 spectrum 1 weight 0.10000E+01 volume 0.12715E-02 ppm1 8.072 ppm2 2.188 CV 1 ASSI { 705} (( segid " " and resid 2339 and name H )) ( segid " " and resid 2339 and name HD2%) 4.400 2.400 1.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.54031E-03 ppm1 8.071 ppm2 0.922 CV 1 ASSI { 707} (( segid " " and resid 2340 and name H )) (( segid " " and resid 2341 and name H )) 2.900 1.100 1.100 peak 707 spectrum 1 weight 0.10000E+01 volume 0.12877E-02 ppm1 8.579 ppm2 8.374 CV 1 ASSI { 708} (( segid " " and resid 2340 and name H )) (( segid " " and resid 2343 and name H )) 4.100 2.100 1.900 peak 708 spectrum 1 weight 0.10000E+01 volume 0.73120E-03 ppm1 8.577 ppm2 8.237 CV 1 ASSI { 709} (( segid " " and resid 2340 and name H )) ( segid " " and resid 2341 and name HD% ) 5.700 4.100 0.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.28471E-03 ppm1 8.571 ppm2 7.320 CV 1 ASSI { 710} (( segid " " and resid 2340 and name H )) (( segid " " and resid 2340 and name HD21)) 4.200 2.300 1.800 peak 710 spectrum 1 weight 0.10000E+01 volume 0.50471E-03 ppm1 8.581 ppm2 6.921 CV 1 ASSI { 712} (( segid " " and resid 2340 and name H )) (( segid " " and resid 2339 and name HA )) 2.200 0.600 0.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.86904E-02 ppm1 8.577 ppm2 4.458 CV 1 ASSI { 713} (( segid " " and resid 2340 and name H )) (( segid " " and resid 2341 and name HB3 )) 5.100 3.300 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.41413E-03 ppm1 8.579 ppm2 3.344 CV 1 ASSI { 714} (( segid " " and resid 2340 and name H )) (( segid " " and resid 2340 and name HB3 )) 2.800 1.000 1.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.43516E-02 ppm1 8.577 ppm2 3.053 CV 1 ASSI { 715} (( segid " " and resid 2340 and name H )) (( segid " " and resid 2343 and name HG3 )) 4.100 2.100 1.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.68914E-03 ppm1 8.573 ppm2 2.516 CV 1 ASSI { 716} (( segid " " and resid 2339 and name H )) (( segid " " and resid 2339 and name HG )) 2.500 0.800 0.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.52251E-02 ppm1 8.071 ppm2 1.708 CV 1 OR { 716} (( segid " " and resid 2339 and name H )) (( segid " " and resid 2339 and name HB2 )) OR { 716} (( segid " " and resid 2339 and name H )) (( segid " " and resid 2339 and name HB3 )) ASSI { 717} (( segid " " and resid 2340 and name H )) (( segid " " and resid 2339 and name HB3 )) 3.400 1.400 1.400 peak 717 spectrum 1 weight 0.10000E+01 volume 0.14818E-02 ppm1 8.577 ppm2 1.695 CV 1 OR { 717} (( segid " " and resid 2340 and name H )) (( segid " " and resid 2339 and name HB2 )) ASSI { 718} (( segid " " and resid 2340 and name H )) ( segid " " and resid 2339 and name HD2%) 4.700 2.800 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.35912E-03 ppm1 8.577 ppm2 0.940 CV 1 ASSI { 719} (( segid " " and resid 2341 and name H )) (( segid " " and resid 2342 and name H )) 2.700 0.900 0.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.24168E-02 ppm1 8.391 ppm2 8.960 CV 1 ASSI { 720} (( segid " " and resid 2341 and name H )) ( segid " " and resid 2341 and name HD% ) 4.300 2.300 1.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.95444E-03 ppm1 8.392 ppm2 7.323 CV 1 ASSI { 725} (( segid " " and resid 2341 and name H )) (( segid " " and resid 2341 and name HB2 )) 2.600 0.800 0.800 peak 725 spectrum 1 weight 0.10000E+01 volume 0.54386E-02 ppm1 8.391 ppm2 3.100 CV 1 ASSI { 727} (( segid " " and resid 2342 and name H )) (( segid " " and resid 2343 and name H )) 2.500 0.800 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.39083E-02 ppm1 8.967 ppm2 8.257 CV 1 ASSI { 728} (( segid " " and resid 2342 and name H )) ( segid " " and resid 2341 and name HD% ) 3.400 1.400 1.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.93180E-03 ppm1 8.968 ppm2 7.321 CV 1 ASSI { 729} (( segid " " and resid 2342 and name H )) (( segid " " and resid 2340 and name HA )) 3.400 1.500 1.500 peak 729 spectrum 1 weight 0.10000E+01 volume 0.91559E-03 ppm1 8.972 ppm2 4.812 CV 1 ASSI { 731} (( segid " " and resid 2342 and name H )) (( segid " " and resid 2343 and name HA )) 4.400 2.400 1.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.53384E-03 ppm1 8.958 ppm2 4.011 CV 1 ASSI { 736} (( segid " " and resid 2342 and name H )) (( segid " " and resid 2342 and name HG3 )) 2.200 0.600 0.600 peak 736 spectrum 1 weight 0.10000E+01 volume 0.65775E-02 ppm1 8.967 ppm2 2.367 CV 1 ASSI { 737} (( segid " " and resid 2342 and name H )) (( segid " " and resid 2343 and name HB2 )) 4.300 2.400 1.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.57589E-03 ppm1 8.968 ppm2 2.160 CV 1 ASSI { 738} (( segid " " and resid 2342 and name H )) (( segid " " and resid 2342 and name HB2 )) 3.100 1.200 1.200 peak 738 spectrum 1 weight 0.10000E+01 volume 0.16242E-02 ppm1 8.968 ppm2 1.964 CV 1 OR { 738} (( segid " " and resid 2342 and name H )) (( segid " " and resid 2342 and name HB3 )) ASSI { 739} (( segid " " and resid 2342 and name H )) (( segid " " and resid 2339 and name HB3 )) 4.100 2.100 1.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.17795E-03 ppm1 8.966 ppm2 1.695 CV 1 OR { 739} (( segid " " and resid 2342 and name H )) (( segid " " and resid 2339 and name HB2 )) ASSI { 740} (( segid " " and resid 2342 and name H )) ( segid " " and resid 2345 and name HD1%) 5.500 3.700 0.500 peak 740 spectrum 1 weight 0.10000E+01 volume 0.16177E-03 ppm1 8.968 ppm2 0.688 CV 1 ASSI { 742} (( segid " " and resid 2343 and name H )) (( segid " " and resid 2346 and name H )) 3.900 1.900 1.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.56295E-03 ppm1 8.268 ppm2 8.082 CV 1 ASSI { 743} (( segid " " and resid 2343 and name H )) ( segid " " and resid 2341 and name HD% ) 5.200 3.400 0.800 peak 743 spectrum 1 weight 0.10000E+01 volume 0.21030E-03 ppm1 8.259 ppm2 7.336 CV 1 ASSI { 744} (( segid " " and resid 2343 and name H )) (( segid " " and resid 2340 and name HA )) 3.400 1.500 1.500 peak 744 spectrum 1 weight 0.10000E+01 volume 0.84768E-03 ppm1 8.265 ppm2 4.801 CV 1 ASSI { 746} (( segid " " and resid 2343 and name H )) (( segid " " and resid 2341 and name HA )) 4.000 2.000 2.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.46266E-03 ppm1 8.268 ppm2 4.413 CV 1 ASSI { 750} (( segid " " and resid 2343 and name H )) (( segid " " and resid 2343 and name HG2 )) 3.100 1.200 1.200 peak 750 spectrum 1 weight 0.10000E+01 volume 0.51572E-02 ppm1 8.268 ppm2 2.353 CV 1 ASSI { 751} (( segid " " and resid 2343 and name H )) (( segid " " and resid 2343 and name HB2 )) 2.400 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.41348E-02 ppm1 8.267 ppm2 2.172 CV 1 ASSI { 752} (( segid " " and resid 2343 and name H )) (( segid " " and resid 2342 and name HB2 )) 3.300 1.300 1.300 peak 752 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 8.268 ppm2 1.959 CV 1 OR { 752} (( segid " " and resid 2343 and name H )) (( segid " " and resid 2342 and name HB3 )) ASSI { 753} (( segid " " and resid 2343 and name H )) (( segid " " and resid 2343 and name HB3 )) 3.400 1.400 1.400 peak 753 spectrum 1 weight 0.10000E+01 volume 0.39051E-02 ppm1 8.268 ppm2 2.272 CV 1 ASSI { 754} (( segid " " and resid 2344 and name H )) (( segid " " and resid 2342 and name H )) 3.900 1.900 1.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.63413E-03 ppm1 8.219 ppm2 8.964 CV 1 ASSI { 760} (( segid " " and resid 2345 and name H )) (( segid " " and resid 2346 and name H )) 2.600 0.800 0.800 peak 760 spectrum 1 weight 0.10000E+01 volume 0.29215E-02 ppm1 8.315 ppm2 8.091 CV 1 ASSI { 761} (( segid " " and resid 2345 and name H )) (( segid " " and resid 2344 and name H )) 2.600 0.800 0.800 peak 761 spectrum 1 weight 0.10000E+01 volume 0.26918E-02 ppm1 8.312 ppm2 8.214 CV 1 ASSI { 762} (( segid " " and resid 2345 and name H )) (( segid " " and resid 2347 and name H )) 3.700 1.700 1.700 peak 762 spectrum 1 weight 0.10000E+01 volume 0.71827E-03 ppm1 8.310 ppm2 8.418 CV 1 ASSI { 763} (( segid " " and resid 2345 and name H )) ( segid " " and resid 2341 and name HD% ) 5.800 4.200 0.200 peak 763 spectrum 1 weight 0.10000E+01 volume 0.11001E-03 ppm1 8.317 ppm2 7.317 CV 1 OR { 763} (( segid " " and resid 2345 and name H )) ( segid " " and resid 2341 and name HE% ) ASSI { 765} (( segid " " and resid 2345 and name H )) (( segid " " and resid 2344 and name HA )) 3.200 1.300 1.300 peak 765 spectrum 1 weight 0.10000E+01 volume 0.15271E-02 ppm1 8.314 ppm2 4.105 CV 1 ASSI { 766} (( segid " " and resid 2345 and name H )) (( segid " " and resid 2344 and name HG2 )) 4.500 2.600 1.500 peak 766 spectrum 1 weight 0.10000E+01 volume 0.61472E-03 ppm1 8.310 ppm2 2.595 CV 1 ASSI { 767} (( segid " " and resid 2345 and name H )) (( segid " " and resid 2344 and name HG3 )) 4.300 2.300 1.700 peak 767 spectrum 1 weight 0.10000E+01 volume 0.41413E-03 ppm1 8.314 ppm2 2.439 CV 1 ASSI { 768} (( segid " " and resid 2345 and name H )) (( segid " " and resid 2344 and name HB2 )) 2.600 0.800 0.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.19315E-02 ppm1 8.313 ppm2 2.331 CV 1 ASSI { 769} (( segid " " and resid 2345 and name H )) (( segid " " and resid 2344 and name HB3 )) 3.800 1.800 1.800 peak 769 spectrum 1 weight 0.10000E+01 volume 0.17536E-02 ppm1 8.313 ppm2 2.155 CV 1 ASSI { 775} (( segid " " and resid 2346 and name H )) (( segid " " and resid 2347 and name H )) 2.600 0.800 0.800 peak 775 spectrum 1 weight 0.10000E+01 volume 0.32321E-02 ppm1 8.097 ppm2 8.412 CV 1 ASSI { 778} (( segid " " and resid 2346 and name H )) (( segid " " and resid 2345 and name HA )) 2.900 1.000 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.21483E-02 ppm1 8.100 ppm2 3.680 CV 1 ASSI { 780} (( segid " " and resid 2346 and name H )) (( segid " " and resid 2346 and name HB2 )) 2.300 0.700 0.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.73053E-02 ppm1 8.098 ppm2 1.776 CV 1 ASSI { 781} (( segid " " and resid 2346 and name H )) (( segid " " and resid 2347 and name HB3 )) 4.100 2.100 1.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 8.097 ppm2 2.166 CV 1 ASSI { 782} (( segid " " and resid 2346 and name H )) (( segid " " and resid 2347 and name HG2 )) 4.400 2.400 1.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.49824E-03 ppm1 8.097 ppm2 2.430 CV 1 ASSI { 783} (( segid " " and resid 2346 and name H )) (( segid " " and resid 2343 and name HG2 )) 4.500 2.500 1.500 peak 783 spectrum 1 weight 0.10000E+01 volume 0.51118E-03 ppm1 8.100 ppm2 2.351 CV 1 ASSI { 784} (( segid " " and resid 2346 and name H )) ( segid " " and resid 2349 and name HB% ) 4.800 2.800 1.200 peak 784 spectrum 1 weight 0.10000E+01 volume 0.24265E-03 ppm1 8.102 ppm2 1.482 CV 1 ASSI { 785} (( segid " " and resid 2346 and name H )) ( segid " " and resid 2346 and name HD2%) 4.800 2.900 1.200 peak 785 spectrum 1 weight 0.10000E+01 volume 0.55325E-03 ppm1 8.098 ppm2 1.024 CV 1 OR { 785} (( segid " " and resid 2346 and name H )) ( segid " " and resid 2346 and name HD1%) ASSI { 786} (( segid " " and resid 2346 and name H )) ( segid " " and resid 2345 and name HG2%) 3.800 1.800 1.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.73442E-03 ppm1 8.098 ppm2 0.834 CV 1 ASSI { 789} (( segid " " and resid 2347 and name H )) (( segid " " and resid 2349 and name H )) 3.500 1.500 1.500 peak 789 spectrum 1 weight 0.10000E+01 volume 0.89617E-03 ppm1 8.420 ppm2 8.880 CV 1 ASSI { 790} (( segid " " and resid 2347 and name H )) (( segid " " and resid 2347 and name HA )) 2.300 0.700 0.700 peak 790 spectrum 1 weight 0.10000E+01 volume 0.65775E-02 ppm1 8.421 ppm2 4.081 CV 1 ASSI { 791} (( segid " " and resid 2347 and name H )) (( segid " " and resid 2348 and name HA )) 4.800 2.900 1.200 peak 791 spectrum 1 weight 0.10000E+01 volume 0.41089E-03 ppm1 8.423 ppm2 4.369 CV 1 ASSI { 792} (( segid " " and resid 2347 and name H )) (( segid " " and resid 2345 and name HA )) 3.800 1.800 1.800 peak 792 spectrum 1 weight 0.10000E+01 volume 0.45942E-03 ppm1 8.420 ppm2 3.683 CV 1 ASSI { 794} (( segid " " and resid 2347 and name H )) (( segid " " and resid 2343 and name HG2 )) 3.400 3.400 2.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.44001E-03 ppm1 8.423 ppm2 2.337 CV 1 ASSI { 795} (( segid " " and resid 2347 and name H )) (( segid " " and resid 2347 and name HB3 )) 2.400 0.700 0.700 peak 795 spectrum 1 weight 0.10000E+01 volume 0.10272E-01 ppm1 8.421 ppm2 2.170 CV 1 ASSI { 796} (( segid " " and resid 2347 and name H )) (( segid " " and resid 2346 and name HB3 )) 2.400 0.700 0.700 peak 796 spectrum 1 weight 0.10000E+01 volume 0.29636E-02 ppm1 8.422 ppm2 1.928 CV 1 ASSI { 797} (( segid " " and resid 2347 and name H )) (( segid " " and resid 2346 and name HB2 )) 3.400 1.400 1.400 peak 797 spectrum 1 weight 0.10000E+01 volume 0.17309E-02 ppm1 8.422 ppm2 1.775 CV 1 OR { 797} (( segid " " and resid 2347 and name H )) (( segid " " and resid 2346 and name HG )) ASSI { 798} (( segid " " and resid 2347 and name H )) ( segid " " and resid 2348 and name HB% ) 4.700 2.800 1.300 peak 798 spectrum 1 weight 0.10000E+01 volume 0.48854E-03 ppm1 8.421 ppm2 1.608 CV 1 ASSI { 799} (( segid " " and resid 2347 and name H )) ( segid " " and resid 2415 and name HG2%) 4.100 2.100 1.900 peak 799 spectrum 1 weight 0.10000E+01 volume 0.13265E-03 ppm1 8.420 ppm2 1.195 CV 1 ASSI { 800} (( segid " " and resid 2347 and name H )) ( segid " " and resid 2346 and name HD1%) 5.100 3.200 0.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.22324E-03 ppm1 8.421 ppm2 1.028 CV 1 OR { 800} (( segid " " and resid 2347 and name H )) ( segid " " and resid 2346 and name HD2%) ASSI { 801} (( segid " " and resid 2347 and name H )) ( segid " " and resid 2345 and name HG2%) 4.900 3.000 1.100 peak 801 spectrum 1 weight 0.10000E+01 volume 0.20059E-03 ppm1 8.425 ppm2 0.835 CV 1 ASSI { 802} (( segid " " and resid 2348 and name H )) (( segid " " and resid 2347 and name H )) 2.700 0.900 0.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.49759E-02 ppm1 8.131 ppm2 8.417 CV 1 ASSI { 803} (( segid " " and resid 2348 and name H )) (( segid " " and resid 2349 and name H )) 2.400 0.700 0.700 peak 803 spectrum 1 weight 0.10000E+01 volume 0.53319E-02 ppm1 8.132 ppm2 8.876 CV 1 ASSI { 804} (( segid " " and resid 2348 and name H )) ( segid " " and resid 2470 and name HD1%) 4.500 2.600 1.500 peak 804 spectrum 1 weight 0.10000E+01 volume 0.37206E-03 ppm1 8.133 ppm2 1.056 CV 1 ASSI { 805} (( segid " " and resid 2349 and name H )) (( segid " " and resid 2350 and name H )) 2.600 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.37886E-02 ppm1 8.886 ppm2 8.544 CV 1 ASSI { 811} (( segid " " and resid 2411 and name H )) (( segid " " and resid 2409 and name HA )) 3.700 1.800 1.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.69885E-03 ppm1 8.893 ppm2 4.215 CV 1 ASSI { 812} (( segid " " and resid 2349 and name H )) (( segid " " and resid 2349 and name HA )) 2.400 0.700 0.700 peak 812 spectrum 1 weight 0.10000E+01 volume 0.81432E-02 ppm1 8.887 ppm2 4.057 CV 1 ASSI { 813} (( segid " " and resid 2349 and name H )) (( segid " " and resid 2350 and name HA )) 4.700 2.800 1.300 peak 813 spectrum 1 weight 0.10000E+01 volume 0.40119E-03 ppm1 8.884 ppm2 3.908 CV 1 ASSI { 815} (( segid " " and resid 2411 and name H )) (( segid " " and resid 2412 and name HB2 )) 4.500 2.500 1.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.72799E-03 ppm1 8.887 ppm2 3.024 CV 1 ASSI { 817} (( segid " " and resid 2349 and name H )) (( segid " " and resid 2347 and name HG3 )) 5.100 3.200 0.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.21353E-03 ppm1 8.887 ppm2 2.454 CV 1 ASSI { 818} (( segid " " and resid 2349 and name H )) (( segid " " and resid 2345 and name HB )) 3.800 1.800 1.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.76677E-03 ppm1 8.887 ppm2 1.954 CV 1 ASSI { 827} (( segid " " and resid 2350 and name H )) (( segid " " and resid 2349 and name HA )) 2.900 1.000 1.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.31351E-02 ppm1 8.554 ppm2 4.073 CV 1 ASSI { 828} (( segid " " and resid 2350 and name H )) (( segid " " and resid 2351 and name HB2 )) 4.500 2.500 1.500 peak 828 spectrum 1 weight 0.10000E+01 volume 0.63089E-03 ppm1 8.555 ppm2 4.240 CV 1 ASSI { 829} (( segid " " and resid 2350 and name H )) (( segid " " and resid 2351 and name HA )) 4.500 2.500 1.500 peak 829 spectrum 1 weight 0.10000E+01 volume 0.64707E-03 ppm1 8.552 ppm2 4.390 CV 1 ASSI { 830} (( segid " " and resid 2350 and name H )) (( segid " " and resid 2350 and name HE3 )) 4.800 2.800 1.200 peak 830 spectrum 1 weight 0.10000E+01 volume 0.32354E-03 ppm1 8.551 ppm2 2.882 CV 1 OR { 830} (( segid " " and resid 2350 and name H )) (( segid " " and resid 2350 and name HE2 )) ASSI { 832} (( segid " " and resid 2350 and name H )) ( segid " " and resid 2349 and name HB% ) 3.200 1.300 1.300 peak 832 spectrum 1 weight 0.10000E+01 volume 0.13265E-02 ppm1 8.554 ppm2 1.490 CV 1 ASSI { 833} (( segid " " and resid 2350 and name H )) ( segid " " and resid 2323 and name HD2%) 3.800 1.800 1.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.62119E-03 ppm1 8.554 ppm2 0.972 CV 1 ASSI { 835} (( segid " " and resid 2350 and name H )) ( segid " " and resid 2346 and name HD1%) 4.200 2.200 1.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.33971E-03 ppm1 8.555 ppm2 1.049 CV 1 ASSI { 836} (( segid " " and resid 2351 and name H )) (( segid " " and resid 2350 and name H )) 2.600 0.800 0.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.33421E-02 ppm1 8.204 ppm2 8.536 CV 1 ASSI { 839} (( segid " " and resid 2351 and name H )) (( segid " " and resid 2351 and name HB3 )) 2.700 0.900 0.900 peak 839 spectrum 1 weight 0.10000E+01 volume 0.41445E-02 ppm1 8.204 ppm2 4.082 CV 1 ASSI { 840} (( segid " " and resid 2351 and name H )) (( segid " " and resid 2350 and name HA )) 3.300 1.400 1.400 peak 840 spectrum 1 weight 0.10000E+01 volume 0.12132E-02 ppm1 8.204 ppm2 3.907 CV 1 ASSI { 841} (( segid " " and resid 2351 and name H )) (( segid " " and resid 2350 and name HB3 )) 3.200 1.300 1.300 peak 841 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 8.204 ppm2 2.048 CV 1 OR { 841} (( segid " " and resid 2351 and name H )) (( segid " " and resid 2350 and name HB2 )) ASSI { 842} (( segid " " and resid 2415 and name H )) (( segid " " and resid 2342 and name HB3 )) 4.500 2.500 1.500 peak 842 spectrum 1 weight 0.10000E+01 volume 0.38825E-03 ppm1 8.174 ppm2 1.958 CV 1 ASSI { 843} (( segid " " and resid 2351 and name H )) (( segid " " and resid 2350 and name HD2 )) 3.300 1.400 1.400 peak 843 spectrum 1 weight 0.10000E+01 volume 0.50795E-03 ppm1 8.202 ppm2 1.781 CV 1 OR { 843} (( segid " " and resid 2351 and name H )) (( segid " " and resid 2350 and name HD3 )) ASSI { 847} (( segid " " and resid 2352 and name H )) (( segid " " and resid 2351 and name H )) 2.900 1.100 1.100 peak 847 spectrum 1 weight 0.10000E+01 volume 0.17341E-02 ppm1 8.483 ppm2 8.194 CV 1 ASSI { 849} (( segid " " and resid 2352 and name H )) (( segid " " and resid 2351 and name HB3 )) 3.200 1.200 1.200 peak 849 spectrum 1 weight 0.10000E+01 volume 0.88324E-03 ppm1 8.488 ppm2 4.073 CV 1 ASSI { 850} (( segid " " and resid 2352 and name H )) (( segid " " and resid 2351 and name HA )) 3.100 1.200 1.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.18474E-02 ppm1 8.486 ppm2 4.386 CV 1 ASSI { 854} (( segid " " and resid 2353 and name H )) (( segid " " and resid 2352 and name H )) 2.700 0.900 0.900 peak 854 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 8.356 ppm2 8.475 CV 1 ASSI { 856} (( segid " " and resid 2353 and name H )) (( segid " " and resid 2351 and name HA )) 3.800 1.800 1.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.68264E-03 ppm1 8.357 ppm2 4.414 CV 1 ASSI { 857} (( segid " " and resid 2353 and name H )) (( segid " " and resid 2353 and name HA )) 2.500 0.800 0.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.47721E-02 ppm1 8.356 ppm2 4.142 CV 1 ASSI { 859} (( segid " " and resid 2353 and name H )) (( segid " " and resid 2352 and name HA )) 3.100 1.200 1.200 peak 859 spectrum 1 weight 0.10000E+01 volume 0.17665E-02 ppm1 8.356 ppm2 3.709 CV 1 ASSI { 861} (( segid " " and resid 2353 and name H )) ( segid " " and resid 2354 and name HB% ) 4.400 2.400 1.600 peak 861 spectrum 1 weight 0.10000E+01 volume 0.69557E-03 ppm1 8.355 ppm2 1.594 CV 1 ASSI { 863} (( segid " " and resid 2353 and name H )) ( segid " " and resid 2356 and name HG2%) 4.400 2.500 1.600 peak 863 spectrum 1 weight 0.10000E+01 volume 0.32677E-03 ppm1 8.358 ppm2 1.310 CV 1 ASSI { 866} (( segid " " and resid 2356 and name H )) (( segid " " and resid 2355 and name H )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.43645E-02 ppm1 9.275 ppm2 8.122 CV 1 ASSI { 867} (( segid " " and resid 2357 and name H )) (( segid " " and resid 2356 and name H )) 2.700 0.900 0.900 peak 867 spectrum 1 weight 0.10000E+01 volume 0.32160E-02 ppm1 8.155 ppm2 9.266 CV 1 ASSI { 871} (( segid " " and resid 2356 and name H )) (( segid " " and resid 2355 and name HA )) 3.200 1.300 1.300 peak 871 spectrum 1 weight 0.10000E+01 volume 0.14948E-02 ppm1 9.276 ppm2 4.412 CV 1 ASSI { 874} (( segid " " and resid 2356 and name H )) (( segid " " and resid 2352 and name HA )) 2.700 0.900 0.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.32257E-02 ppm1 9.276 ppm2 3.685 CV 1 ASSI { 875} (( segid " " and resid 2356 and name H )) ( segid " " and resid 2355 and name HB% ) 3.200 1.300 1.300 peak 875 spectrum 1 weight 0.10000E+01 volume 0.13394E-02 ppm1 9.275 ppm2 1.623 CV 1 ASSI { 880} (( segid " " and resid 2357 and name H )) ( segid " " and resid 2316 and name HG2%) 3.200 1.300 1.300 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10159E-02 ppm1 8.157 ppm2 1.117 CV 1 ASSI { 883} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2463 and name HB )) 3.200 3.200 2.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.60178E-03 ppm1 8.146 ppm2 2.443 CV 1 ASSI { 887} (( segid " " and resid 2355 and name H )) (( segid " " and resid 2354 and name HA )) 3.500 1.500 1.500 peak 887 spectrum 1 weight 0.10000E+01 volume 0.13718E-02 ppm1 8.098 ppm2 4.222 CV 1 ASSI { 890} (( segid " " and resid 2355 and name H )) ( segid " " and resid 2353 and name HB% ) 5.200 3.300 0.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.25236E-03 ppm1 8.097 ppm2 1.388 CV 1 ASSI { 891} (( segid " " and resid 2358 and name H )) (( segid " " and resid 2359 and name H )) 2.600 0.800 0.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.37271E-02 ppm1 7.646 ppm2 8.382 CV 1 ASSI { 892} (( segid " " and resid 2358 and name H )) (( segid " " and resid 2357 and name H )) 2.500 0.800 0.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.38954E-02 ppm1 7.647 ppm2 8.146 CV 1 ASSI { 893} (( segid " " and resid 2358 and name H )) (( segid " " and resid 2356 and name H )) 3.600 1.600 1.600 peak 893 spectrum 1 weight 0.10000E+01 volume 0.74734E-03 ppm1 7.644 ppm2 9.264 CV 1 ASSI { 895} (( segid " " and resid 2358 and name H )) (( segid " " and resid 2358 and name HA )) 2.300 0.600 0.600 peak 895 spectrum 1 weight 0.10000E+01 volume 0.11088E-01 ppm1 7.646 ppm2 4.158 CV 1 ASSI { 896} (( segid " " and resid 2358 and name H )) (( segid " " and resid 2356 and name HA )) 3.600 1.600 1.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.93502E-03 ppm1 7.646 ppm2 4.004 CV 1 ASSI { 897} (( segid " " and resid 2358 and name H )) ( segid " " and resid 2358 and name HB% ) 2.600 0.800 0.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.48304E-02 ppm1 7.647 ppm2 1.650 CV 1 ASSI { 904} (( segid " " and resid 2359 and name H )) (( segid " " and resid 2359 and name HB2 )) 2.600 0.800 0.800 peak 904 spectrum 1 weight 0.10000E+01 volume 0.31836E-02 ppm1 8.391 ppm2 2.384 CV 1 ASSI { 907} (( segid " " and resid 2359 and name H )) ( segid " " and resid 2359 and name HD1%) 4.600 2.600 1.400 peak 907 spectrum 1 weight 0.10000E+01 volume 0.50795E-03 ppm1 8.394 ppm2 1.027 CV 1 ASSI { 908} (( segid " " and resid 2359 and name H )) ( segid " " and resid 2356 and name HG2%) 5.200 3.400 0.800 peak 908 spectrum 1 weight 0.10000E+01 volume 0.18765E-03 ppm1 8.398 ppm2 1.302 CV 1 ASSI { 910} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2363 and name H )) 4.000 2.000 2.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.45295E-03 ppm1 8.307 ppm2 8.673 CV 1 ASSI { 911} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2357 and name H )) 3.200 3.200 2.800 peak 911 spectrum 1 weight 0.10000E+01 volume 0.66325E-03 ppm1 8.307 ppm2 8.158 CV 1 ASSI { 912} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2358 and name H )) 4.200 2.200 1.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.58236E-03 ppm1 8.300 ppm2 7.640 CV 1 ASSI { 917} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2359 and name HB2 )) 3.600 1.600 1.600 peak 917 spectrum 1 weight 0.10000E+01 volume 0.25624E-02 ppm1 8.296 ppm2 2.383 CV 1 ASSI { 918} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2361 and name HB2 )) 4.200 2.200 1.800 peak 918 spectrum 1 weight 0.10000E+01 volume 0.71178E-03 ppm1 8.300 ppm2 1.977 CV 1 ASSI { 919} (( segid " " and resid 2360 and name H )) (( segid " " and resid 2359 and name HB3 )) 2.300 0.700 0.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.39698E-02 ppm1 8.300 ppm2 1.652 CV 1 ASSI { 921} (( segid " " and resid 2360 and name H )) ( segid " " and resid 2438 and name HD2%) 4.100 2.100 1.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.37853E-03 ppm1 8.300 ppm2 0.898 CV 1 ASSI { 924} (( segid " " and resid 2361 and name H )) (( segid " " and resid 2361 and name HB2 )) 2.900 1.000 1.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.19833E-02 ppm1 8.369 ppm2 1.969 CV 1 OR { 924} (( segid " " and resid 2361 and name H )) (( segid " " and resid 2361 and name HB3 )) ASSI { 925} (( segid " " and resid 2361 and name H )) (( segid " " and resid 2361 and name HG2 )) 4.100 2.100 1.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.90267E-03 ppm1 8.371 ppm2 1.758 CV 1 OR { 925} (( segid " " and resid 2361 and name H )) (( segid " " and resid 2361 and name HD2 )) ASSI { 926} (( segid " " and resid 2361 and name H )) ( segid " " and resid 2360 and name HG1%) 3.800 1.800 1.800 peak 926 spectrum 1 weight 0.10000E+01 volume 0.35265E-03 ppm1 8.372 ppm2 1.119 CV 1 ASSI { 929} (( segid " " and resid 2361 and name H )) (( segid " " and resid 2360 and name HB )) 3.600 1.600 1.600 peak 929 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 8.370 ppm2 2.224 CV 1 ASSI { 930} (( segid " " and resid 2361 and name H )) (( segid " " and resid 2360 and name HA )) 3.700 1.700 1.700 peak 930 spectrum 1 weight 0.10000E+01 volume 0.54678E-03 ppm1 8.370 ppm2 3.659 CV 1 ASSI { 931} (( segid " " and resid 2361 and name H )) (( segid " " and resid 2362 and name H )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.36916E-02 ppm1 8.369 ppm2 8.462 CV 1 ASSI { 933} (( segid " " and resid 2362 and name H )) (( segid " " and resid 2363 and name H )) 2.600 0.800 0.800 peak 933 spectrum 1 weight 0.10000E+01 volume 0.37627E-02 ppm1 8.463 ppm2 8.692 CV 1 ASSI { 934} (( segid " " and resid 2362 and name H )) (( segid " " and resid 2364 and name H )) 3.700 1.700 1.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.10838E-02 ppm1 8.463 ppm2 8.254 CV 1 ASSI { 938} (( segid " " and resid 2362 and name H )) (( segid " " and resid 2359 and name HA )) 3.100 1.200 1.200 peak 938 spectrum 1 weight 0.10000E+01 volume 0.13815E-02 ppm1 8.464 ppm2 4.003 CV 1 ASSI { 939} (( segid " " and resid 2362 and name H )) (( segid " " and resid 2360 and name HA )) 3.800 1.800 1.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.59530E-03 ppm1 8.459 ppm2 3.657 CV 1 ASSI { 941} (( segid " " and resid 2362 and name H )) (( segid " " and resid 2361 and name HG2 )) 3.400 1.500 1.500 peak 941 spectrum 1 weight 0.10000E+01 volume 0.41736E-03 ppm1 8.460 ppm2 1.738 CV 1 OR { 941} (( segid " " and resid 2362 and name H )) (( segid " " and resid 2361 and name HD3 )) OR { 941} (( segid " " and resid 2362 and name H )) (( segid " " and resid 2361 and name HD2 )) ASSI { 943} (( segid " " and resid 2362 and name H )) ( segid " " and resid 2456 and name HD2%) 4.500 2.500 1.500 peak 943 spectrum 1 weight 0.10000E+01 volume 0.41736E-03 ppm1 8.466 ppm2 1.027 CV 1 ASSI { 944} (( segid " " and resid 2362 and name H )) (( segid " " and resid 2361 and name HG3 )) 4.400 2.500 1.600 peak 944 spectrum 1 weight 0.10000E+01 volume 0.47236E-03 ppm1 8.462 ppm2 1.423 CV 1 ASSI { 948} (( segid " " and resid 2363 and name H )) (( segid " " and resid 2363 and name HA )) 2.800 1.000 1.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.26497E-02 ppm1 8.698 ppm2 4.258 CV 1 ASSI { 949} (( segid " " and resid 2363 and name H )) (( segid " " and resid 2362 and name HA )) 3.600 1.600 1.600 peak 949 spectrum 1 weight 0.10000E+01 volume 0.90588E-03 ppm1 8.702 ppm2 4.353 CV 1 ASSI { 952} (( segid " " and resid 2363 and name H )) ( segid " " and resid 2456 and name HD2%) 4.500 2.500 1.500 peak 952 spectrum 1 weight 0.10000E+01 volume 0.29765E-03 ppm1 8.698 ppm2 1.035 CV 1 OR { 952} (( segid " " and resid 2363 and name H )) ( segid " " and resid 2456 and name HD1%) ASSI { 953} (( segid " " and resid 2363 and name H )) ( segid " " and resid 2309 and name HD2%) 5.400 3.700 0.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.12618E-03 ppm1 8.698 ppm2 0.853 CV 1 OR { 953} (( segid " " and resid 2363 and name H )) ( segid " " and resid 2309 and name HD1%) ASSI { 954} (( segid " " and resid 2364 and name H )) (( segid " " and resid 2363 and name H )) 2.700 0.900 0.900 peak 954 spectrum 1 weight 0.10000E+01 volume 0.29183E-02 ppm1 8.257 ppm2 8.696 CV 1 ASSI { 956} (( segid " " and resid 2364 and name H )) (( segid " " and resid 2366 and name H )) 3.700 1.700 1.700 peak 956 spectrum 1 weight 0.10000E+01 volume 0.89945E-03 ppm1 8.259 ppm2 8.367 CV 1 ASSI { 957} (( segid " " and resid 2364 and name H )) (( segid " " and resid 2365 and name H )) 2.600 0.900 0.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.35654E-02 ppm1 8.259 ppm2 7.885 CV 1 ASSI { 961} (( segid " " and resid 2364 and name H )) (( segid " " and resid 2360 and name HA )) 3.500 1.500 1.500 peak 961 spectrum 1 weight 0.10000E+01 volume 0.91238E-03 ppm1 8.256 ppm2 3.657 CV 1 ASSI { 962} (( segid " " and resid 2364 and name H )) ( segid " " and resid 2363 and name HB% ) 3.200 1.200 1.200 peak 962 spectrum 1 weight 0.10000E+01 volume 0.14591E-02 ppm1 8.257 ppm2 1.592 CV 1 ASSI { 963} (( segid " " and resid 2364 and name H )) ( segid " " and resid 2309 and name HD1%) 4.100 2.100 1.900 peak 963 spectrum 1 weight 0.10000E+01 volume 0.37853E-03 ppm1 8.256 ppm2 0.849 CV 1 ASSI { 964} (( segid " " and resid 2364 and name H )) ( segid " " and resid 2360 and name HG2%) 3.700 1.700 1.700 peak 964 spectrum 1 weight 0.10000E+01 volume 0.26854E-03 ppm1 8.257 ppm2 1.113 CV 1 ASSI { 965} (( segid " " and resid 2364 and name H )) ( segid " " and resid 2456 and name HD1%) 5.700 4.000 0.300 peak 965 spectrum 1 weight 0.10000E+01 volume 0.11971E-03 ppm1 8.256 ppm2 1.039 CV 1 OR { 965} (( segid " " and resid 2364 and name H )) ( segid " " and resid 2456 and name HD2%) ASSI { 966} (( segid " " and resid 2364 and name H )) (( segid " " and resid 2367 and name HG3 )) 4.100 2.100 1.900 peak 966 spectrum 1 weight 0.10000E+01 volume 0.38825E-03 ppm1 8.254 ppm2 2.454 CV 1 ASSI { 967} (( segid " " and resid 2365 and name H )) (( segid " " and resid 2363 and name H )) 3.900 1.900 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.60825E-03 ppm1 7.900 ppm2 8.695 CV 1 ASSI { 968} (( segid " " and resid 2365 and name H )) (( segid " " and resid 2366 and name H )) 2.500 0.800 0.800 peak 968 spectrum 1 weight 0.10000E+01 volume 0.42286E-02 ppm1 7.895 ppm2 8.380 CV 1 ASSI { 973} (( segid " " and resid 2365 and name H )) (( segid " " and resid 2362 and name HA )) 2.900 1.000 1.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.26174E-02 ppm1 7.895 ppm2 4.348 CV 1 ASSI { 974} (( segid " " and resid 2365 and name H )) ( segid " " and resid 2365 and name HB% ) 2.700 0.900 0.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.36074E-02 ppm1 7.895 ppm2 1.661 CV 1 ASSI { 975} (( segid " " and resid 2365 and name H )) (( segid " " and resid 2368 and name HB2 )) 4.200 2.200 1.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.65678E-03 ppm1 7.895 ppm2 2.005 CV 1 ASSI { 976} (( segid " " and resid 2365 and name H )) ( segid " " and resid 2366 and name HB% ) 4.600 2.700 1.400 peak 976 spectrum 1 weight 0.10000E+01 volume 0.56295E-03 ppm1 7.895 ppm2 1.572 CV 1 ASSI { 977} (( segid " " and resid 2365 and name H )) ( segid " " and resid 2452 and name HB% ) 5.200 3.400 0.800 peak 977 spectrum 1 weight 0.10000E+01 volume 0.18118E-03 ppm1 7.901 ppm2 1.469 CV 1 ASSI { 978} (( segid " " and resid 2365 and name H )) ( segid " " and resid 2456 and name HD1%) 5.400 3.600 0.600 peak 978 spectrum 1 weight 0.10000E+01 volume 0.16824E-03 ppm1 7.897 ppm2 1.042 CV 1 ASSI { 979} (( segid " " and resid 2365 and name H )) ( segid " " and resid 2309 and name HD1%) 5.100 3.200 0.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.23294E-03 ppm1 7.895 ppm2 0.848 CV 1 ASSI { 981} (( segid " " and resid 2366 and name H )) (( segid " " and resid 2368 and name H )) 4.000 2.000 2.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.62119E-03 ppm1 8.385 ppm2 8.092 CV 1 ASSI { 982} (( segid " " and resid 2366 and name H )) (( segid " " and resid 2367 and name H )) 3.100 1.200 1.200 peak 982 spectrum 1 weight 0.10000E+01 volume 0.12359E-02 ppm1 8.385 ppm2 8.466 CV 1 ASSI { 983} (( segid " " and resid 2366 and name H )) (( segid " " and resid 2366 and name HA )) 2.600 0.900 0.900 peak 983 spectrum 1 weight 0.10000E+01 volume 0.43419E-02 ppm1 8.386 ppm2 4.157 CV 1 ASSI { 985} (( segid " " and resid 2366 and name H )) ( segid " " and resid 2452 and name HB% ) 4.400 2.400 1.600 peak 985 spectrum 1 weight 0.10000E+01 volume 0.42383E-03 ppm1 8.385 ppm2 1.468 CV 1 ASSI { 986} (( segid " " and resid 2366 and name H )) ( segid " " and resid 2365 and name HB% ) 3.300 1.400 1.400 peak 986 spectrum 1 weight 0.10000E+01 volume 0.13200E-02 ppm1 8.387 ppm2 1.659 CV 1 ASSI { 987} (( segid " " and resid 2366 and name H )) ( segid " " and resid 2456 and name HD1%) 5.000 3.100 1.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.27177E-03 ppm1 8.389 ppm2 1.044 CV 1 ASSI { 988} (( segid " " and resid 2366 and name H )) ( segid " " and resid 2309 and name HD1%) 5.100 3.300 0.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.14883E-03 ppm1 8.386 ppm2 0.851 CV 1 ASSI { 990} (( segid " " and resid 2367 and name H )) (( segid " " and resid 2364 and name H )) 3.800 1.800 1.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.60825E-03 ppm1 8.448 ppm2 8.261 CV 1 ASSI { 991} (( segid " " and resid 2367 and name H )) (( segid " " and resid 2365 and name H )) 3.900 1.900 1.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.69235E-03 ppm1 8.443 ppm2 7.892 CV 1 ASSI { 992} (( segid " " and resid 2367 and name H )) (( segid " " and resid 2364 and name HA )) 2.800 1.000 1.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.25980E-02 ppm1 8.449 ppm2 4.272 CV 1 ASSI { 995} (( segid " " and resid 2367 and name H )) (( segid " " and resid 2367 and name HB2 )) 2.400 0.700 0.700 peak 995 spectrum 1 weight 0.10000E+01 volume 0.50116E-02 ppm1 8.449 ppm2 2.496 CV 1 ASSI { 996} (( segid " " and resid 2367 and name H )) (( segid " " and resid 2367 and name HB3 )) 3.100 1.200 1.200 peak 996 spectrum 1 weight 0.10000E+01 volume 0.43354E-02 ppm1 8.449 ppm2 2.140 CV 1 ASSI { 997} (( segid " " and resid 2367 and name H )) (( segid " " and resid 2369 and name HB3 )) 4.400 2.400 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.65031E-03 ppm1 8.447 ppm2 2.262 CV 1 ASSI { 998} (( segid " " and resid 2367 and name H )) (( segid " " and resid 2368 and name HB2 )) 4.400 2.400 1.600 peak 998 spectrum 1 weight 0.10000E+01 volume 0.80561E-03 ppm1 8.452 ppm2 1.991 CV 1 ASSI { 999} (( segid " " and resid 2367 and name H )) ( segid " " and resid 2366 and name HB% ) 3.100 1.200 1.200 peak 999 spectrum 1 weight 0.10000E+01 volume 0.16500E-02 ppm1 8.449 ppm2 1.581 CV 1 ASSI { 1001} (( segid " " and resid 2367 and name H )) ( segid " " and resid 2393 and name HD2%) 5.000 3.100 1.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.16500E-03 ppm1 8.449 ppm2 0.667 CV 1 ASSI { 1002} (( segid " " and resid 2367 and name H )) ( segid " " and resid 2371 and name HG1%) 5.600 3.900 0.400 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.17471E-03 ppm1 8.452 ppm2 1.142 CV 1 ASSI { 1003} (( segid " " and resid 2367 and name H )) ( segid " " and resid 2365 and name HB% ) 5.100 3.200 0.900 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.24588E-03 ppm1 8.450 ppm2 1.668 CV 1 ASSI { 1004} (( segid " " and resid 2368 and name H )) (( segid " " and resid 2367 and name H )) 2.600 0.800 0.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.35363E-02 ppm1 8.092 ppm2 8.441 CV 1 ASSI { 1005} (( segid " " and resid 2368 and name H )) (( segid " " and resid 2369 and name H )) 2.700 0.900 0.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.33324E-02 ppm1 8.093 ppm2 7.978 CV 1 ASSI { 1006} (( segid " " and resid 2368 and name H )) (( segid " " and resid 2365 and name HA )) 2.800 1.000 1.000 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.30477E-02 ppm1 8.092 ppm2 4.279 CV 1 ASSI { 1007} (( segid " " and resid 2368 and name H )) (( segid " " and resid 2367 and name HA )) 3.200 1.300 1.300 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 8.092 ppm2 4.174 CV 1 ASSI { 1009} (( segid " " and resid 2368 and name H )) (( segid " " and resid 2368 and name HD2 )) 5.200 3.400 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.28471E-03 ppm1 8.094 ppm2 3.340 CV 1 OR { 1009} (( segid " " and resid 2368 and name H )) (( segid " " and resid 2368 and name HD3 )) ASSI { 1010} (( segid " " and resid 2368 and name H )) (( segid " " and resid 2367 and name HB2 )) 2.600 0.900 0.900 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.29247E-02 ppm1 8.093 ppm2 2.498 CV 1 ASSI { 1011} (( segid " " and resid 2368 and name H )) ( segid " " and resid 2370 and name HD2%) 5.200 3.400 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.90588E-04 ppm1 8.094 ppm2 0.834 CV 1 ASSI { 1012} (( segid " " and resid 2368 and name H )) ( segid " " and resid 2371 and name HG1%) 5.300 3.600 0.700 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.18442E-03 ppm1 8.090 ppm2 1.161 CV 1 ASSI { 1013} (( segid " " and resid 2368 and name H )) ( segid " " and resid 2371 and name HG2%) 5.100 3.200 0.900 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.12295E-03 ppm1 8.098 ppm2 1.090 CV 1 ASSI { 1014} (( segid " " and resid 2368 and name H )) (( segid " " and resid 2368 and name HG3 )) 4.000 2.000 2.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.13265E-02 ppm1 8.092 ppm2 1.814 CV 1 ASSI { 1015} (( segid " " and resid 2368 and name H )) ( segid " " and resid 2365 and name HB% ) 4.900 3.100 1.100 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.26530E-03 ppm1 8.092 ppm2 1.658 CV 1 ASSI { 1016} (( segid " " and resid 2368 and name H )) (( segid " " and resid 2368 and name HB3 )) 2.400 0.700 0.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.64578E-02 ppm1 8.093 ppm2 2.077 CV 1 ASSI { 1020} (( segid " " and resid 2369 and name H )) (( segid " " and resid 2366 and name HA )) 3.000 1.100 1.100 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.18765E-02 ppm1 7.994 ppm2 4.145 CV 1 ASSI { 1021} (( segid " " and resid 2369 and name H )) (( segid " " and resid 2368 and name HA )) 3.400 1.400 1.400 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 7.993 ppm2 4.088 CV 1 ASSI { 1024} (( segid " " and resid 2369 and name H )) (( segid " " and resid 2368 and name HB3 )) 2.700 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.25106E-02 ppm1 7.992 ppm2 2.072 CV 1 ASSI { 1025} (( segid " " and resid 2369 and name H )) (( segid " " and resid 2368 and name HG3 )) 4.300 2.300 1.700 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.52089E-03 ppm1 7.989 ppm2 1.811 CV 1 ASSI { 1026} (( segid " " and resid 2369 and name H )) ( segid " " and resid 2372 and name HB% ) 4.900 3.000 1.100 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.15206E-03 ppm1 7.993 ppm2 1.659 CV 1 ASSI { 1027} (( segid " " and resid 2369 and name H )) ( segid " " and resid 2452 and name HB% ) 5.100 3.300 0.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.16824E-03 ppm1 7.986 ppm2 1.478 CV 1 ASSI { 1028} (( segid " " and resid 2369 and name H )) ( segid " " and resid 2370 and name HD2%) 5.600 3.900 0.400 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.11971E-03 ppm1 7.991 ppm2 0.833 CV 1 OR { 1028} (( segid " " and resid 2369 and name H )) ( segid " " and resid 2370 and name HD1%) ASSI { 1029} (( segid " " and resid 2370 and name H )) (( segid " " and resid 2371 and name H )) 2.600 0.800 0.800 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.38242E-02 ppm1 8.040 ppm2 8.108 CV 1 ASSI { 1030} (( segid " " and resid 2370 and name H )) (( segid " " and resid 2372 and name H )) 4.100 2.100 1.900 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.47560E-03 ppm1 8.036 ppm2 8.357 CV 1 ASSI { 1031} (( segid " " and resid 2370 and name H )) (( segid " " and resid 2369 and name HA )) 3.200 1.300 1.300 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.16824E-02 ppm1 8.039 ppm2 4.245 CV 1 ASSI { 1033} (( segid " " and resid 2370 and name H )) (( segid " " and resid 2369 and name HG2 )) 4.100 2.100 1.900 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.79912E-03 ppm1 8.036 ppm2 2.488 CV 1 ASSI { 1034} (( segid " " and resid 2370 and name H )) (( segid " " and resid 2369 and name HB3 )) 3.000 1.200 1.200 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.16565E-02 ppm1 8.040 ppm2 2.255 CV 1 OR { 1034} (( segid " " and resid 2370 and name H )) (( segid " " and resid 2369 and name HB2 )) ASSI { 1035} (( segid " " and resid 2370 and name H )) (( segid " " and resid 2370 and name HG )) 2.600 2.600 3.400 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.47074E-02 ppm1 8.041 ppm2 1.984 CV 1 ASSI { 1036} (( segid " " and resid 2370 and name H )) ( segid " " and resid 2372 and name HB% ) 5.200 3.400 0.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.14236E-03 ppm1 8.047 ppm2 1.663 CV 1 ASSI { 1037} (( segid " " and resid 2370 and name H )) ( segid " " and resid 2366 and name HB% ) 4.800 2.900 1.200 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.17147E-03 ppm1 8.035 ppm2 1.571 CV 1 ASSI { 1038} (( segid " " and resid 2370 and name H )) (( segid " " and resid 2370 and name HB2 )) 3.200 1.300 1.300 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.11971E-02 ppm1 8.040 ppm2 1.356 CV 1 OR { 1038} (( segid " " and resid 2370 and name H )) (( segid " " and resid 2370 and name HB3 )) ASSI { 1039} (( segid " " and resid 2370 and name H )) ( segid " " and resid 2371 and name HG1%) 5.600 3.900 0.400 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.23618E-03 ppm1 8.044 ppm2 1.151 CV 1 ASSI { 1040} (( segid " " and resid 2370 and name H )) ( segid " " and resid 2371 and name HG2%) 5.400 3.700 0.600 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.17147E-03 ppm1 8.038 ppm2 1.081 CV 1 ASSI { 1041} (( segid " " and resid 2370 and name H )) ( segid " " and resid 2370 and name HD2%) 3.900 1.900 1.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.62766E-03 ppm1 8.040 ppm2 0.834 CV 1 OR { 1041} (( segid " " and resid 2370 and name H )) ( segid " " and resid 2370 and name HD1%) ASSI { 1043} (( segid " " and resid 2371 and name H )) (( segid " " and resid 2372 and name H )) 2.600 0.900 0.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.33033E-02 ppm1 8.124 ppm2 8.339 CV 1 ASSI { 1045} (( segid " " and resid 2371 and name H )) (( segid " " and resid 2371 and name HB )) 2.300 0.700 0.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.66163E-02 ppm1 8.125 ppm2 2.277 CV 1 ASSI { 1046} (( segid " " and resid 2354 and name H )) (( segid " " and resid 2352 and name HB )) 3.600 1.600 1.600 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.19865E-02 ppm1 8.127 ppm2 2.103 CV 1 ASSI { 1047} (( segid " " and resid 2371 and name H )) (( segid " " and resid 2370 and name HG )) 3.500 1.600 1.600 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.89617E-03 ppm1 8.123 ppm2 1.970 CV 1 ASSI { 1050} (( segid " " and resid 2371 and name H )) (( segid " " and resid 2370 and name HB2 )) 3.500 1.500 1.500 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.75063E-03 ppm1 8.125 ppm2 1.356 CV 1 OR { 1050} (( segid " " and resid 2371 and name H )) (( segid " " and resid 2370 and name HB3 )) ASSI { 1055} (( segid " " and resid 2372 and name H )) ( segid " " and resid 2371 and name HG2%) 4.700 2.700 1.300 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.55972E-03 ppm1 8.353 ppm2 1.099 CV 1 ASSI { 1059} (( segid " " and resid 2373 and name H )) (( segid " " and resid 2372 and name H )) 2.700 0.900 0.900 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.31933E-02 ppm1 8.112 ppm2 8.346 CV 1 ASSI { 1060} (( segid " " and resid 2373 and name H )) (( segid " " and resid 2374 and name H )) 3.200 1.300 1.300 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 8.112 ppm2 8.180 CV 1 ASSI { 1062} (( segid " " and resid 2373 and name H )) (( segid " " and resid 2372 and name HA )) 3.000 1.100 1.100 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.25236E-02 ppm1 8.113 ppm2 4.275 CV 1 ASSI { 1063} (( segid " " and resid 2373 and name H )) (( segid " " and resid 2370 and name HA )) 3.000 1.200 1.200 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.17051E-02 ppm1 8.111 ppm2 4.133 CV 1 ASSI { 1068} (( segid " " and resid 2373 and name H )) (( segid " " and resid 2373 and name HB3 )) 3.400 1.400 1.400 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.34036E-02 ppm1 8.113 ppm2 2.340 CV 1 ASSI { 1070} (( segid " " and resid 2374 and name H )) (( segid " " and resid 2376 and name H )) 4.300 2.300 1.700 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.61148E-03 ppm1 8.158 ppm2 7.424 CV 1 ASSI { 1071} (( segid " " and resid 2374 and name H )) (( segid " " and resid 2372 and name H )) 3.800 1.800 1.800 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.66001E-03 ppm1 8.156 ppm2 8.361 CV 1 ASSI { 1072} (( segid " " and resid 2374 and name H )) (( segid " " and resid 2375 and name H )) 2.500 0.800 0.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.45198E-02 ppm1 8.159 ppm2 8.220 CV 1 ASSI { 1074} (( segid " " and resid 2374 and name H )) (( segid " " and resid 2373 and name HA )) 3.000 1.100 1.100 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.22874E-02 ppm1 8.157 ppm2 4.387 CV 1 ASSI { 1075} (( segid " " and resid 2374 and name H )) (( segid " " and resid 2372 and name HA )) 3.300 1.400 1.400 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.12003E-02 ppm1 8.153 ppm2 4.281 CV 1 ASSI { 1077} (( segid " " and resid 2374 and name H )) (( segid " " and resid 2373 and name HG2 )) 3.300 3.300 2.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.53384E-03 ppm1 8.161 ppm2 2.745 CV 1 ASSI { 1078} (( segid " " and resid 2374 and name H )) (( segid " " and resid 2373 and name HG3 )) 4.600 2.700 1.400 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.43677E-03 ppm1 8.153 ppm2 2.558 CV 1 ASSI { 1079} (( segid " " and resid 2374 and name H )) (( segid " " and resid 2373 and name HB3 )) 3.900 1.900 1.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.10191E-02 ppm1 8.156 ppm2 2.334 CV 1 ASSI { 1080} (( segid " " and resid 2374 and name H )) (( segid " " and resid 2373 and name HB2 )) 3.200 1.300 1.300 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.14074E-02 ppm1 8.152 ppm2 2.190 CV 1 ASSI { 1081} (( segid " " and resid 2374 and name H )) ( segid " " and resid 2372 and name HB% ) 3.700 1.700 1.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.24588E-03 ppm1 8.159 ppm2 1.637 CV 1 ASSI { 1082} (( segid " " and resid 2374 and name H )) ( segid " " and resid 2371 and name HG2%) 5.400 3.600 0.600 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.17147E-03 ppm1 8.159 ppm2 1.097 CV 1 ASSI { 1083} (( segid " " and resid 2375 and name H )) (( segid " " and resid 2376 and name H )) 2.600 0.800 0.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.39180E-02 ppm1 8.231 ppm2 7.427 CV 1 ASSI { 1086} (( segid " " and resid 2375 and name H )) (( segid " " and resid 2374 and name HA2 )) 3.200 1.300 1.300 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.11421E-02 ppm1 8.231 ppm2 4.049 CV 1 ASSI { 1087} (( segid " " and resid 2375 and name H )) (( segid " " and resid 2374 and name HA3 )) 3.300 1.300 1.300 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.22939E-02 ppm1 8.231 ppm2 4.116 CV 1 ASSI { 1090} (( segid " " and resid 2376 and name H )) (( segid " " and resid 2377 and name H )) 3.900 1.900 1.900 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.59207E-03 ppm1 7.437 ppm2 8.732 CV 1 ASSI { 1091} (( segid " " and resid 2376 and name H )) (( segid " " and resid 2375 and name HA )) 3.000 1.100 1.100 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.26304E-02 ppm1 7.435 ppm2 4.315 CV 1 ASSI { 1093} (( segid " " and resid 2376 and name H )) (( segid " " and resid 2376 and name HB )) 3.100 1.200 1.200 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.18248E-02 ppm1 7.435 ppm2 1.946 CV 1 ASSI { 1094} (( segid " " and resid 2376 and name H )) ( segid " " and resid 2378 and name HB% ) 4.400 2.400 1.600 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.26207E-03 ppm1 7.438 ppm2 1.494 CV 1 ASSI { 1095} (( segid " " and resid 2376 and name H )) (( segid " " and resid 2370 and name HB3 )) 5.100 3.300 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.93823E-04 ppm1 7.438 ppm2 1.355 CV 1 OR { 1095} (( segid " " and resid 2376 and name H )) (( segid " " and resid 2370 and name HB2 )) ASSI { 1096} (( segid " " and resid 2376 and name H )) (( segid " " and resid 2445 and name HB3 )) 4.200 2.200 1.800 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.38500E-03 ppm1 7.442 ppm2 1.123 CV 1 ASSI { 1104} (( segid " " and resid 2377 and name H )) (( segid " " and resid 2376 and name HB )) 3.400 1.400 1.400 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 8.725 ppm2 1.949 CV 1 ASSI { 1105} (( segid " " and resid 2377 and name H )) (( segid " " and resid 2386 and name HB3 )) 3.900 1.900 1.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.38177E-03 ppm1 8.732 ppm2 2.914 CV 1 ASSI { 1106} (( segid " " and resid 2377 and name H )) (( segid " " and resid 2386 and name HB2 )) 4.000 2.000 2.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.52736E-03 ppm1 8.729 ppm2 2.802 CV 1 ASSI { 1107} (( segid " " and resid 2377 and name H )) ( segid " " and resid 2376 and name HG2%) 4.700 2.800 1.300 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.16824E-03 ppm1 8.727 ppm2 0.818 CV 1 ASSI { 1108} (( segid " " and resid 2378 and name H )) (( segid " " and resid 2377 and name H )) 3.100 1.200 1.200 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.19412E-02 ppm1 8.316 ppm2 8.721 CV 1 ASSI { 1109} (( segid " " and resid 2378 and name H )) (( segid " " and resid 2376 and name H )) 3.900 1.900 1.900 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.45942E-03 ppm1 8.312 ppm2 7.417 CV 1 ASSI { 1111} (( segid " " and resid 2378 and name H )) (( segid " " and resid 2377 and name HA2 )) 2.800 1.000 1.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.23327E-02 ppm1 8.316 ppm2 4.111 CV 1 ASSI { 1113} (( segid " " and resid 2407 and name H )) (( segid " " and resid 2407 and name HA )) 2.600 0.900 0.900 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.37756E-02 ppm1 8.318 ppm2 4.349 CV 1 ASSI { 1119} (( segid " " and resid 2423 and name H )) (( segid " " and resid 2420 and name HB3 )) 2.800 1.000 1.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.20544E-02 ppm1 7.947 ppm2 3.971 CV 1 ASSI { 1120} (( segid " " and resid 2379 and name H )) (( segid " " and resid 2301 and name HD2 )) 3.300 1.400 1.400 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.77648E-03 ppm1 7.934 ppm2 3.908 CV 1 ASSI { 1122} (( segid " " and resid 2379 and name H )) ( segid " " and resid 2379 and name HG2%) 4.000 2.000 2.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.88324E-03 ppm1 7.936 ppm2 0.994 CV 1 ASSI { 1123} (( segid " " and resid 2379 and name H )) ( segid " " and resid 2378 and name HB% ) 3.400 1.400 1.400 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.16112E-02 ppm1 7.935 ppm2 1.486 CV 1 ASSI { 1125} (( segid " " and resid 2379 and name H )) (( segid " " and resid 2379 and name HA )) 2.400 0.700 0.700 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.49533E-02 ppm1 7.936 ppm2 4.653 CV 1 ASSI { 1126} (( segid " " and resid 2379 and name H )) (( segid " " and resid 2379 and name HB )) 2.300 0.600 0.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.81660E-02 ppm1 7.935 ppm2 1.983 CV 1 ASSI { 1127} (( segid " " and resid 2381 and name H )) (( segid " " and resid 2382 and name H )) 2.900 1.100 1.100 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.14818E-02 ppm1 8.342 ppm2 8.099 CV 1 ASSI { 1129} (( segid " " and resid 2382 and name H )) (( segid " " and resid 2383 and name H )) 2.700 0.900 0.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.29765E-02 ppm1 8.113 ppm2 7.929 CV 1 ASSI { 1130} (( segid " " and resid 2382 and name H )) (( segid " " and resid 2382 and name HA )) 2.900 1.000 1.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.26304E-02 ppm1 8.111 ppm2 4.996 CV 1 ASSI { 1132} (( segid " " and resid 2382 and name H )) (( segid " " and resid 2382 and name HB2 )) 2.500 0.800 0.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.33971E-02 ppm1 8.110 ppm2 2.837 CV 1 ASSI { 1133} (( segid " " and resid 2382 and name H )) ( segid " " and resid 2381 and name HB% ) 3.500 1.500 1.500 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.88003E-03 ppm1 8.113 ppm2 1.502 CV 1 ASSI { 1135} (( segid " " and resid 2381 and name H )) (( segid " " and resid 2380 and name HA )) 2.700 0.900 0.900 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.31513E-02 ppm1 8.342 ppm2 4.418 CV 1 ASSI { 1137} (( segid " " and resid 2381 and name H )) ( segid " " and resid 2379 and name HG2%) 2.900 1.100 1.100 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.12132E-02 ppm1 8.342 ppm2 1.005 CV 1 ASSI { 1142} (( segid " " and resid 2383 and name H )) (( segid " " and resid 2384 and name H )) 2.800 1.000 1.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.23100E-02 ppm1 7.939 ppm2 8.332 CV 1 ASSI { 1144} (( segid " " and resid 2383 and name H )) (( segid " " and resid 2380 and name HA )) 3.500 1.600 1.600 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.86382E-03 ppm1 7.935 ppm2 4.408 CV 1 ASSI { 1145} (( segid " " and resid 2383 and name H )) (( segid " " and resid 2383 and name HA )) 2.500 0.800 0.800 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.59757E-02 ppm1 7.938 ppm2 4.325 CV 1 ASSI { 1146} (( segid " " and resid 2383 and name H )) (( segid " " and resid 2382 and name HB3 )) 3.900 1.900 1.900 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.72799E-03 ppm1 7.941 ppm2 3.192 CV 1 ASSI { 1147} (( segid " " and resid 2383 and name H )) (( segid " " and resid 2382 and name HB2 )) 3.600 1.600 1.600 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.11453E-02 ppm1 7.940 ppm2 2.827 CV 1 ASSI { 1148} (( segid " " and resid 2383 and name H )) (( segid " " and resid 2384 and name HB3 )) 5.000 3.200 1.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.39148E-03 ppm1 7.942 ppm2 1.774 CV 1 ASSI { 1149} (( segid " " and resid 2383 and name H )) ( segid " " and resid 2379 and name HG2%) 3.700 1.700 1.700 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.24265E-03 ppm1 7.939 ppm2 1.008 CV 1 ASSI { 1152} (( segid " " and resid 2387 and name H )) (( segid " " and resid 2386 and name H )) 2.900 1.100 1.100 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.18442E-02 ppm1 8.675 ppm2 8.817 CV 1 ASSI { 1153} (( segid " " and resid 2387 and name H )) (( segid " " and resid 2388 and name H )) 2.600 0.900 0.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.32451E-02 ppm1 8.676 ppm2 8.373 CV 1 ASSI { 1154} (( segid " " and resid 2387 and name H )) (( segid " " and resid 2385 and name H )) 3.800 1.800 1.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.61795E-03 ppm1 8.679 ppm2 8.140 CV 1 ASSI { 1156} (( segid " " and resid 2387 and name H )) (( segid " " and resid 2386 and name HA )) 2.700 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.40474E-02 ppm1 8.676 ppm2 4.696 CV 1 ASSI { 1157} (( segid " " and resid 2387 and name H )) (( segid " " and resid 2384 and name HA )) 3.300 1.300 1.300 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.11777E-02 ppm1 8.674 ppm2 4.365 CV 1 ASSI { 1159} (( segid " " and resid 2387 and name H )) (( segid " " and resid 2387 and name HA2 )) 2.800 1.000 1.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.48822E-02 ppm1 8.676 ppm2 4.050 CV 1 ASSI { 1160} (( segid " " and resid 2386 and name H )) (( segid " " and resid 2386 and name HA )) 2.700 0.900 0.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.34166E-02 ppm1 8.823 ppm2 4.694 CV 1 ASSI { 1161} (( segid " " and resid 2386 and name H )) (( segid " " and resid 2383 and name HA )) 3.500 1.600 1.600 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.78298E-03 ppm1 8.820 ppm2 4.324 CV 1 ASSI { 1162} (( segid " " and resid 2387 and name H )) (( segid " " and resid 2386 and name HB3 )) 3.300 1.400 1.400 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.16242E-02 ppm1 8.678 ppm2 2.935 CV 1 ASSI { 1163} (( segid " " and resid 2387 and name H )) (( segid " " and resid 2386 and name HB2 )) 3.000 1.100 1.100 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 8.677 ppm2 2.801 CV 1 ASSI { 1164} (( segid " " and resid 2387 and name H )) (( segid " " and resid 2388 and name HG2 )) 4.600 2.700 1.400 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.49501E-03 ppm1 8.674 ppm2 2.657 CV 1 ASSI { 1167} (( segid " " and resid 2386 and name H )) (( segid " " and resid 2385 and name HA )) 3.200 1.300 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.20998E-02 ppm1 8.823 ppm2 4.635 CV 1 ASSI { 1168} (( segid " " and resid 2385 and name H )) (( segid " " and resid 2386 and name H )) 2.700 0.900 0.900 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.31448E-02 ppm1 8.148 ppm2 8.815 CV 1 ASSI { 1169} (( segid " " and resid 2385 and name H )) (( segid " " and resid 2385 and name HA )) 2.400 0.700 0.700 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.69919E-02 ppm1 8.147 ppm2 4.648 CV 1 ASSI { 1170} (( segid " " and resid 2385 and name H )) (( segid " " and resid 2382 and name HA )) 3.400 1.500 1.500 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.10353E-02 ppm1 8.146 ppm2 5.001 CV 1 ASSI { 1172} (( segid " " and resid 2385 and name H )) (( segid " " and resid 2385 and name HB2 )) 2.100 0.600 0.600 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.11738E-01 ppm1 8.147 ppm2 2.821 CV 1 ASSI { 1173} (( segid " " and resid 2385 and name H )) (( segid " " and resid 2384 and name HB2 )) 2.900 1.000 1.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.57686E-02 ppm1 8.148 ppm2 1.771 CV 1 ASSI { 1176} (( segid " " and resid 2388 and name H )) (( segid " " and resid 2386 and name H )) 4.000 2.000 2.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.45295E-03 ppm1 8.392 ppm2 8.802 CV 1 ASSI { 1177} (( segid " " and resid 2388 and name H )) (( segid " " and resid 2386 and name HA )) 2.800 1.000 1.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.34295E-02 ppm1 8.383 ppm2 4.686 CV 1 ASSI { 1178} (( segid " " and resid 2388 and name H )) (( segid " " and resid 2387 and name HA2 )) 3.400 1.400 1.400 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.15400E-02 ppm1 8.384 ppm2 4.054 CV 1 ASSI { 1179} (( segid " " and resid 2388 and name H )) (( segid " " and resid 2389 and name HB3 )) 4.600 2.600 1.400 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.56619E-03 ppm1 8.382 ppm2 3.636 CV 1 ASSI { 1180} (( segid " " and resid 2388 and name H )) (( segid " " and resid 2389 and name HB2 )) 4.600 2.700 1.400 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.58883E-03 ppm1 8.382 ppm2 3.530 CV 1 ASSI { 1181} (( segid " " and resid 2388 and name H )) (( segid " " and resid 2388 and name HB2 )) 2.700 0.900 0.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.33712E-02 ppm1 8.384 ppm2 2.345 CV 1 OR { 1181} (( segid " " and resid 2388 and name H )) (( segid " " and resid 2388 and name HB3 )) ASSI { 1184} (( segid " " and resid 2388 and name H )) (( segid " " and resid 2385 and name HB3 )) 3.300 3.300 2.700 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.56295E-03 ppm1 8.381 ppm2 2.823 CV 1 ASSI { 1185} (( segid " " and resid 2389 and name H )) (( segid " " and resid 2389 and name HE3 )) 4.500 2.500 1.500 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.72470E-03 ppm1 8.673 ppm2 7.723 CV 1 ASSI { 1186} (( segid " " and resid 2389 and name H )) (( segid " " and resid 2389 and name HD1 )) 4.200 2.200 1.800 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.99650E-03 ppm1 8.675 ppm2 7.457 CV 1 ASSI { 1187} (( segid " " and resid 2389 and name H )) (( segid " " and resid 2388 and name H )) 2.800 1.000 1.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.23165E-02 ppm1 8.674 ppm2 8.378 CV 1 ASSI { 1188} (( segid " " and resid 2389 and name H )) (( segid " " and resid 2390 and name H )) 3.000 1.100 1.100 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.15530E-02 ppm1 8.672 ppm2 8.513 CV 1 ASSI { 1189} (( segid " " and resid 2389 and name H )) (( segid " " and resid 2389 and name HB3 )) 2.600 0.800 0.800 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.32289E-02 ppm1 8.674 ppm2 3.641 CV 1 ASSI { 1191} (( segid " " and resid 2389 and name H )) (( segid " " and resid 2386 and name HA )) 2.600 0.900 0.900 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.41348E-02 ppm1 8.670 ppm2 4.695 CV 1 ASSI { 1194} (( segid " " and resid 2389 and name H )) (( segid " " and resid 2387 and name HA2 )) 3.800 1.800 1.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.68592E-03 ppm1 8.670 ppm2 4.046 CV 1 ASSI { 1195} (( segid " " and resid 2389 and name H )) (( segid " " and resid 2388 and name HG3 )) 4.500 2.600 1.500 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.52736E-03 ppm1 8.670 ppm2 2.513 CV 1 ASSI { 1196} (( segid " " and resid 2389 and name H )) (( segid " " and resid 2388 and name HB2 )) 3.300 1.300 1.300 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.11227E-02 ppm1 8.674 ppm2 2.337 CV 1 OR { 1196} (( segid " " and resid 2389 and name H )) (( segid " " and resid 2388 and name HB3 )) ASSI { 1197} (( segid " " and resid 2388 and name H )) (( segid " " and resid 2388 and name HA )) 2.400 0.700 0.700 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.72665E-02 ppm1 8.384 ppm2 4.256 CV 1 ASSI { 1200} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2389 and name HE3 )) 3.200 1.300 1.300 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.17115E-02 ppm1 8.524 ppm2 7.721 CV 1 ASSI { 1201} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2389 and name HD1 )) 3.300 3.300 2.700 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.47236E-03 ppm1 8.525 ppm2 7.455 CV 1 ASSI { 1202} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2389 and name HZ3 )) 4.700 2.700 1.300 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.34618E-03 ppm1 8.525 ppm2 7.120 CV 1 ASSI { 1203} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2388 and name H )) 4.300 2.300 1.700 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.44324E-03 ppm1 8.530 ppm2 8.377 CV 1 ASSI { 1206} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2390 and name HA )) 3.000 1.100 1.100 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 8.523 ppm2 3.817 CV 1 ASSI { 1207} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2387 and name HA2 )) 2.600 0.900 0.900 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.32192E-02 ppm1 8.525 ppm2 4.038 CV 1 ASSI { 1208} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2389 and name HA )) 3.400 1.400 1.400 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.12682E-02 ppm1 8.524 ppm2 4.454 CV 1 ASSI { 1209} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2388 and name HA )) 3.900 1.900 1.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.56295E-03 ppm1 8.529 ppm2 4.259 CV 1 ASSI { 1210} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2391 and name HB2 )) 5.000 3.100 1.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.32354E-03 ppm1 8.522 ppm2 2.225 CV 1 OR { 1210} (( segid " " and resid 2390 and name H )) (( segid " " and resid 2391 and name HB3 )) ASSI { 1211} (( segid " " and resid 2391 and name H )) (( segid " " and resid 2390 and name H )) 2.900 1.000 1.000 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.20901E-02 ppm1 8.249 ppm2 8.517 CV 1 ASSI { 1212} (( segid " " and resid 2391 and name H )) (( segid " " and resid 2389 and name H )) 4.200 2.200 1.800 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.48530E-03 ppm1 8.248 ppm2 8.676 CV 1 ASSI { 1214} (( segid " " and resid 2391 and name H )) (( segid " " and resid 2391 and name HA )) 2.400 0.700 0.700 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.61116E-02 ppm1 8.248 ppm2 4.047 CV 1 ASSI { 1215} (( segid " " and resid 2391 and name H )) (( segid " " and resid 2390 and name HA )) 3.300 1.400 1.400 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.12909E-02 ppm1 8.249 ppm2 3.815 CV 1 ASSI { 1216} (( segid " " and resid 2391 and name H )) (( segid " " and resid 2390 and name HB2 )) 3.600 1.600 1.600 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.63413E-03 ppm1 8.250 ppm2 3.617 CV 1 OR { 1216} (( segid " " and resid 2391 and name H )) (( segid " " and resid 2390 and name HB3 )) ASSI { 1220} (( segid " " and resid 2391 and name H )) ( segid " " and resid 2394 and name HD1%) 4.500 2.500 1.500 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.29442E-03 ppm1 8.248 ppm2 0.852 CV 1 ASSI { 1221} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2393 and name H )) 2.700 0.900 0.900 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.28374E-02 ppm1 8.135 ppm2 7.616 CV 1 ASSI { 1223} (( segid " " and resid 2391 and name H )) (( segid " " and resid 2392 and name H )) 2.600 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.35783E-02 ppm1 8.246 ppm2 8.120 CV 1 ASSI { 1225} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2388 and name HA )) 3.500 1.500 1.500 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.78298E-03 ppm1 8.138 ppm2 4.260 CV 1 ASSI { 1226} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2389 and name HA )) 3.600 1.600 1.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.67943E-03 ppm1 8.138 ppm2 4.439 CV 1 ASSI { 1228} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2390 and name HB2 )) 4.700 2.800 1.300 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.22647E-03 ppm1 8.136 ppm2 3.618 CV 1 OR { 1228} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2390 and name HB3 )) ASSI { 1229} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2393 and name HA )) 4.400 2.400 1.600 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.66001E-03 ppm1 8.132 ppm2 3.840 CV 1 ASSI { 1230} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2391 and name HG3 )) 4.400 2.500 1.600 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.46266E-03 ppm1 8.134 ppm2 2.520 CV 1 OR { 1230} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2391 and name HG2 )) ASSI { 1231} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2391 and name HB2 )) 3.200 1.300 1.300 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.13200E-02 ppm1 8.135 ppm2 2.231 CV 1 OR { 1231} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2391 and name HB3 )) ASSI { 1232} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2393 and name HB3 )) 5.300 3.500 0.700 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.21677E-03 ppm1 8.135 ppm2 1.505 CV 1 ASSI { 1233} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2393 and name HB2 )) 4.500 2.600 1.500 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.55648E-03 ppm1 8.137 ppm2 1.136 CV 1 ASSI { 1234} (( segid " " and resid 2392 and name H )) (( segid " " and resid 2394 and name HG13)) 5.300 3.500 0.700 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.14559E-03 ppm1 8.141 ppm2 0.848 CV 1 OR { 1234} (( segid " " and resid 2392 and name H )) ( segid " " and resid 2394 and name HD1%) ASSI { 1236} (( segid " " and resid 2393 and name H )) (( segid " " and resid 2391 and name H )) 3.800 1.800 1.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.59530E-03 ppm1 7.628 ppm2 8.245 CV 1 ASSI { 1237} (( segid " " and resid 2393 and name H )) (( segid " " and resid 2395 and name H )) 4.100 2.100 1.900 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.67621E-03 ppm1 7.623 ppm2 8.372 CV 1 ASSI { 1241} (( segid " " and resid 2393 and name H )) (( segid " " and resid 2394 and name HA )) 4.600 2.600 1.400 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.56295E-03 ppm1 7.622 ppm2 3.439 CV 1 ASSI { 1242} (( segid " " and resid 2393 and name H )) (( segid " " and resid 2391 and name HB2 )) 4.300 2.300 1.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.25883E-03 ppm1 7.622 ppm2 2.234 CV 1 OR { 1242} (( segid " " and resid 2393 and name H )) (( segid " " and resid 2391 and name HB3 )) ASSI { 1243} (( segid " " and resid 2393 and name H )) (( segid " " and resid 2394 and name HB )) 4.500 2.500 1.500 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.64060E-03 ppm1 7.621 ppm2 1.900 CV 1 ASSI { 1244} (( segid " " and resid 2393 and name H )) (( segid " " and resid 2393 and name HB3 )) 2.400 0.700 0.700 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.56845E-02 ppm1 7.622 ppm2 1.506 CV 1 ASSI { 1247} (( segid " " and resid 2393 and name H )) (( segid " " and resid 2394 and name HG13)) 3.800 1.800 1.800 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.11259E-02 ppm1 7.625 ppm2 0.860 CV 1 ASSI { 1249} (( segid " " and resid 2394 and name H )) (( segid " " and resid 2391 and name HA )) 2.800 1.000 1.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.28503E-02 ppm1 8.112 ppm2 4.044 CV 1 ASSI { 1254} (( segid " " and resid 2394 and name H )) (( segid " " and resid 2394 and name HG13)) 2.900 1.100 1.100 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.14009E-02 ppm1 8.112 ppm2 0.872 CV 1 OR { 1254} (( segid " " and resid 2394 and name H )) ( segid " " and resid 2394 and name HD1%) ASSI { 1259} (( segid " " and resid 2394 and name H )) ( segid " " and resid 2393 and name HD2%) 3.800 1.800 1.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.21353E-03 ppm1 8.112 ppm2 0.665 CV 1 ASSI { 1260} (( segid " " and resid 2394 and name H )) ( segid " " and resid 2393 and name HD1%) 5.300 3.500 0.700 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.19412E-03 ppm1 8.114 ppm2 0.595 CV 1 ASSI { 1261} (( segid " " and resid 2394 and name H )) (( segid " " and resid 2395 and name H )) 2.500 0.800 0.800 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.50536E-02 ppm1 8.110 ppm2 8.380 CV 1 ASSI { 1263} (( segid " " and resid 2395 and name H )) (( segid " " and resid 2396 and name H )) 2.600 0.800 0.800 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.38760E-02 ppm1 8.379 ppm2 7.953 CV 1 ASSI { 1266} (( segid " " and resid 2395 and name H )) (( segid " " and resid 2396 and name HA )) 4.300 2.300 1.700 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.69235E-03 ppm1 8.377 ppm2 4.278 CV 1 ASSI { 1269} (( segid " " and resid 2395 and name H )) (( segid " " and resid 2393 and name HA )) 4.100 2.100 1.900 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.45295E-03 ppm1 8.377 ppm2 3.836 CV 1 ASSI { 1271} (( segid " " and resid 2395 and name H )) (( segid " " and resid 2394 and name HB )) 2.500 0.800 0.800 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.42189E-02 ppm1 8.378 ppm2 1.911 CV 1 ASSI { 1276} (( segid " " and resid 2396 and name H )) (( segid " " and resid 2398 and name H )) 3.700 1.700 1.700 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.76998E-03 ppm1 7.963 ppm2 8.498 CV 1 ASSI { 1277} (( segid " " and resid 2396 and name H )) (( segid " " and resid 2397 and name H )) 2.600 0.900 0.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.40733E-02 ppm1 7.961 ppm2 8.656 CV 1 ASSI { 1281} (( segid " " and resid 2396 and name H )) (( segid " " and resid 2392 and name HA2 )) 3.300 1.400 1.400 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.82176E-03 ppm1 7.963 ppm2 3.929 CV 1 ASSI { 1283} (( segid " " and resid 2396 and name H )) (( segid " " and resid 2394 and name HA )) 3.700 1.700 1.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.71499E-03 ppm1 7.959 ppm2 3.436 CV 1 ASSI { 1284} (( segid " " and resid 2396 and name H )) (( segid " " and resid 2399 and name HB2 )) 4.300 2.300 1.700 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.55972E-03 ppm1 7.963 ppm2 2.478 CV 1 ASSI { 1285} (( segid " " and resid 2396 and name H )) (( segid " " and resid 2399 and name HB3 )) 4.600 2.700 1.400 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.48207E-03 ppm1 7.956 ppm2 2.318 CV 1 ASSI { 1286} (( segid " " and resid 2396 and name H )) (( segid " " and resid 2394 and name HB )) 4.500 2.600 1.500 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.51442E-03 ppm1 7.961 ppm2 1.909 CV 1 ASSI { 1288} (( segid " " and resid 2396 and name H )) (( segid " " and resid 2393 and name HB2 )) 4.500 2.500 1.500 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.34295E-03 ppm1 7.961 ppm2 1.127 CV 1 ASSI { 1289} (( segid " " and resid 2396 and name H )) ( segid " " and resid 2400 and name HG1%) 5.600 3.900 0.400 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.12942E-03 ppm1 7.962 ppm2 1.058 CV 1 ASSI { 1290} (( segid " " and resid 2396 and name H )) ( segid " " and resid 2438 and name HD1%) 4.900 3.000 1.100 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.28795E-03 ppm1 7.958 ppm2 0.937 CV 1 ASSI { 1291} (( segid " " and resid 2397 and name H )) (( segid " " and resid 2398 and name H )) 2.700 0.900 0.900 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.29830E-02 ppm1 8.664 ppm2 8.501 CV 1 ASSI { 1292} (( segid " " and resid 2397 and name H )) (( segid " " and resid 2395 and name H )) 3.700 1.700 1.700 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.79269E-03 ppm1 8.666 ppm2 8.379 CV 1 ASSI { 1293} (( segid " " and resid 2397 and name H )) (( segid " " and resid 2399 and name H )) 3.500 1.500 1.500 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.99329E-03 ppm1 8.662 ppm2 8.109 CV 1 ASSI { 1295} (( segid " " and resid 2397 and name H )) (( segid " " and resid 2396 and name HA )) 3.300 1.300 1.300 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.16144E-02 ppm1 8.662 ppm2 4.278 CV 1 ASSI { 1299} (( segid " " and resid 2397 and name H )) (( segid " " and resid 2394 and name HA )) 3.100 1.200 1.200 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.14948E-02 ppm1 8.662 ppm2 3.433 CV 1 ASSI { 1301} (( segid " " and resid 2397 and name H )) (( segid " " and resid 2398 and name HB2 )) 4.300 2.300 1.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.66648E-03 ppm1 8.662 ppm2 2.082 CV 1 ASSI { 1305} (( segid " " and resid 2397 and name H )) ( segid " " and resid 2394 and name HG2%) 4.000 2.000 2.000 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.56619E-03 ppm1 8.663 ppm2 0.863 CV 1 ASSI { 1306} (( segid " " and resid 2397 and name H )) ( segid " " and resid 2393 and name HD1%) 5.100 3.300 0.900 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.12618E-03 ppm1 8.663 ppm2 0.583 CV 1 ASSI { 1308} (( segid " " and resid 2398 and name H )) (( segid " " and resid 2399 and name H )) 2.500 0.800 0.800 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.37206E-02 ppm1 8.512 ppm2 8.096 CV 1 ASSI { 1311} (( segid " " and resid 2398 and name H )) (( segid " " and resid 2399 and name HA )) 4.600 2.600 1.400 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.51118E-03 ppm1 8.509 ppm2 4.455 CV 1 ASSI { 1313} (( segid " " and resid 2398 and name H )) (( segid " " and resid 2398 and name HA )) 2.700 0.900 0.900 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.36592E-02 ppm1 8.511 ppm2 4.070 CV 1 ASSI { 1314} (( segid " " and resid 2398 and name H )) (( segid " " and resid 2397 and name HA )) 3.400 1.400 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.96737E-03 ppm1 8.512 ppm2 3.927 CV 1 ASSI { 1315} (( segid " " and resid 2398 and name H )) (( segid " " and resid 2394 and name HA )) 3.500 1.500 1.500 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.79912E-03 ppm1 8.511 ppm2 3.431 CV 1 ASSI { 1316} (( segid " " and resid 2398 and name H )) (( segid " " and resid 2398 and name HD2 )) 3.700 1.700 1.700 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.46266E-03 ppm1 8.514 ppm2 3.189 CV 1 OR { 1316} (( segid " " and resid 2398 and name H )) (( segid " " and resid 2398 and name HD3 )) ASSI { 1317} (( segid " " and resid 2398 and name H )) (( segid " " and resid 2399 and name HB3 )) 4.500 2.500 1.500 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.59207E-03 ppm1 8.512 ppm2 2.304 CV 1 ASSI { 1318} (( segid " " and resid 2398 and name H )) (( segid " " and resid 2398 and name HB2 )) 2.300 0.600 0.600 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.58657E-02 ppm1 8.511 ppm2 2.041 CV 1 ASSI { 1320} (( segid " " and resid 2398 and name H )) ( segid " " and resid 2397 and name HB% ) 3.100 1.200 1.200 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.13977E-02 ppm1 8.511 ppm2 1.489 CV 1 ASSI { 1324} (( segid " " and resid 2399 and name H )) (( segid " " and resid 2400 and name H )) 2.600 0.800 0.800 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.32483E-02 ppm1 8.105 ppm2 8.417 CV 1 ASSI { 1326} (( segid " " and resid 2399 and name H )) (( segid " " and resid 2396 and name HA )) 3.000 1.100 1.100 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.23812E-02 ppm1 8.105 ppm2 4.284 CV 1 ASSI { 1327} (( segid " " and resid 2399 and name H )) (( segid " " and resid 2397 and name HA )) 3.400 1.500 1.500 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.10062E-02 ppm1 8.107 ppm2 3.921 CV 1 ASSI { 1328} (( segid " " and resid 2399 and name H )) (( segid " " and resid 2398 and name HA )) 3.000 1.100 1.100 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.19379E-02 ppm1 8.105 ppm2 4.059 CV 1 ASSI { 1331} (( segid " " and resid 2399 and name H )) (( segid " " and resid 2399 and name HB2 )) 2.500 0.800 0.800 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.46330E-02 ppm1 8.105 ppm2 2.463 CV 1 ASSI { 1332} (( segid " " and resid 2399 and name H )) (( segid " " and resid 2399 and name HB3 )) 2.600 0.800 0.800 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.36657E-02 ppm1 8.105 ppm2 2.302 CV 1 ASSI { 1333} (( segid " " and resid 2399 and name H )) (( segid " " and resid 2398 and name HB2 )) 3.200 1.300 1.300 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.12909E-02 ppm1 8.104 ppm2 2.052 CV 1 OR { 1333} (( segid " " and resid 2399 and name H )) (( segid " " and resid 2398 and name HB3 )) ASSI { 1335} (( segid " " and resid 2400 and name H )) (( segid " " and resid 2403 and name H )) 3.900 1.900 1.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.56942E-03 ppm1 8.436 ppm2 8.708 CV 1 ASSI { 1337} (( segid " " and resid 2400 and name H )) (( segid " " and resid 2399 and name HA )) 3.400 1.500 1.500 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 8.429 ppm2 4.439 CV 1 ASSI { 1338} (( segid " " and resid 2400 and name H )) (( segid " " and resid 2396 and name HA )) 3.900 1.900 1.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.69885E-03 ppm1 8.424 ppm2 4.275 CV 1 ASSI { 1339} (( segid " " and resid 2400 and name H )) (( segid " " and resid 2398 and name HA )) 3.700 1.700 1.700 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.75706E-03 ppm1 8.429 ppm2 4.049 CV 1 ASSI { 1340} (( segid " " and resid 2400 and name H )) (( segid " " and resid 2399 and name HB2 )) 3.900 1.900 1.900 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.13654E-02 ppm1 8.429 ppm2 2.463 CV 1 ASSI { 1342} (( segid " " and resid 2400 and name H )) ( segid " " and resid 2401 and name HB% ) 4.800 2.900 1.200 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.41736E-03 ppm1 8.431 ppm2 1.628 CV 1 ASSI { 1346} (( segid " " and resid 2401 and name H )) (( segid " " and resid 2402 and name H )) 2.500 0.800 0.800 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.43580E-02 ppm1 8.371 ppm2 8.469 CV 1 ASSI { 1347} (( segid " " and resid 2401 and name H )) (( segid " " and resid 2403 and name H )) 4.000 2.000 2.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.55325E-03 ppm1 8.373 ppm2 8.697 CV 1 ASSI { 1349} (( segid " " and resid 2401 and name H )) (( segid " " and resid 2400 and name HA )) 3.100 1.200 1.200 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.15853E-02 ppm1 8.372 ppm2 3.969 CV 1 ASSI { 1350} (( segid " " and resid 2401 and name H )) ( segid " " and resid 2400 and name HG1%) 4.100 2.100 1.900 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.64060E-03 ppm1 8.372 ppm2 1.085 CV 1 ASSI { 1353} (( segid " " and resid 2401 and name H )) ( segid " " and resid 2401 and name HB% ) 2.700 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.30380E-02 ppm1 8.372 ppm2 1.654 CV 1 ASSI { 1355} (( segid " " and resid 2401 and name H )) (( segid " " and resid 2316 and name HG12)) 4.400 2.400 1.600 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.69235E-03 ppm1 8.373 ppm2 2.057 CV 1 ASSI { 1357} (( segid " " and resid 2402 and name H )) (( segid " " and resid 2403 and name H )) 2.600 0.800 0.800 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.40377E-02 ppm1 8.490 ppm2 8.701 CV 1 ASSI { 1358} (( segid " " and resid 2402 and name H )) (( segid " " and resid 2402 and name HA )) 2.500 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.58593E-02 ppm1 8.490 ppm2 4.257 CV 1 ASSI { 1364} (( segid " " and resid 2403 and name H )) (( segid " " and resid 2403 and name HA )) 2.600 0.800 0.800 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.51248E-02 ppm1 8.708 ppm2 4.282 CV 1 ASSI { 1366} (( segid " " and resid 2403 and name H )) (( segid " " and resid 2405 and name HB3 )) 4.300 2.300 1.700 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.45942E-03 ppm1 8.707 ppm2 2.983 CV 1 ASSI { 1369} (( segid " " and resid 2403 and name H )) ( segid " " and resid 2431 and name HG2%) 5.000 3.100 1.000 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.27177E-03 ppm1 8.707 ppm2 1.108 CV 1 ASSI { 1370} (( segid " " and resid 2403 and name H )) ( segid " " and resid 2400 and name HG2%) 5.100 3.200 0.900 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.18118E-03 ppm1 8.706 ppm2 0.928 CV 1 ASSI { 1371} (( segid " " and resid 2404 and name H )) (( segid " " and resid 2403 and name H )) 2.800 1.000 1.000 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.21288E-02 ppm1 8.482 ppm2 8.700 CV 1 ASSI { 1372} (( segid " " and resid 2404 and name H )) (( segid " " and resid 2406 and name H )) 4.000 2.000 2.000 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.74091E-03 ppm1 8.488 ppm2 8.307 CV 1 ASSI { 1373} (( segid " " and resid 2403 and name H )) (( segid " " and resid 2406 and name H )) 4.000 2.000 2.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.57589E-03 ppm1 8.709 ppm2 8.315 CV 1 ASSI { 1374} (( segid " " and resid 2404 and name H )) (( segid " " and resid 2404 and name HB )) 3.000 1.100 1.100 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.35621E-02 ppm1 8.483 ppm2 4.398 CV 1 ASSI { 1375} (( segid " " and resid 2404 and name H )) (( segid " " and resid 2403 and name HA )) 3.500 1.500 1.500 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.11033E-02 ppm1 8.482 ppm2 4.282 CV 1 ASSI { 1376} (( segid " " and resid 2404 and name H )) (( segid " " and resid 2401 and name HA )) 3.300 1.300 1.300 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.11324E-02 ppm1 8.480 ppm2 4.052 CV 1 ASSI { 1377} (( segid " " and resid 2404 and name H )) (( segid " " and resid 2404 and name HA )) 2.700 0.900 0.900 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.24621E-02 ppm1 8.483 ppm2 3.808 CV 1 ASSI { 1378} (( segid " " and resid 2404 and name H )) (( segid " " and resid 2400 and name HA )) 3.600 1.600 1.600 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.59854E-03 ppm1 8.482 ppm2 3.979 CV 1 ASSI { 1379} (( segid " " and resid 2404 and name H )) (( segid " " and resid 2405 and name HB3 )) 4.500 2.500 1.500 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.68592E-03 ppm1 8.482 ppm2 2.981 CV 1 ASSI { 1380} (( segid " " and resid 2404 and name H )) ( segid " " and resid 2403 and name HB% ) 3.300 1.400 1.400 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.98358E-03 ppm1 8.482 ppm2 1.600 CV 1 ASSI { 1381} (( segid " " and resid 2404 and name H )) ( segid " " and resid 2356 and name HG2%) 5.200 3.300 0.800 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.55001E-03 ppm1 8.483 ppm2 1.310 CV 1 ASSI { 1382} (( segid " " and resid 2404 and name H )) ( segid " " and resid 2431 and name HG2%) 4.000 2.000 2.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.47236E-03 ppm1 8.481 ppm2 1.115 CV 1 ASSI { 1384} (( segid " " and resid 2405 and name H )) (( segid " " and resid 2406 and name H )) 2.600 0.800 0.800 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.38242E-02 ppm1 8.470 ppm2 8.304 CV 1 ASSI { 1386} (( segid " " and resid 2405 and name H )) (( segid " " and resid 2404 and name HA )) 3.100 1.200 1.200 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.12909E-02 ppm1 8.470 ppm2 3.810 CV 1 ASSI { 1387} (( segid " " and resid 2405 and name H )) (( segid " " and resid 2405 and name HB3 )) 2.600 0.800 0.800 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.40377E-02 ppm1 8.469 ppm2 2.966 CV 1 OR { 1387} (( segid " " and resid 2405 and name H )) (( segid " " and resid 2405 and name HB2 )) ASSI { 1388} (( segid " " and resid 2405 and name H )) (( segid " " and resid 2402 and name HA )) 3.100 1.200 1.200 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.20286E-02 ppm1 8.467 ppm2 4.265 CV 1 ASSI { 1389} (( segid " " and resid 2405 and name H )) ( segid " " and resid 2356 and name HG2%) 4.600 2.700 1.400 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.54678E-03 ppm1 8.470 ppm2 1.309 CV 1 ASSI { 1390} (( segid " " and resid 2405 and name H )) ( segid " " and resid 2319 and name HB% ) 4.300 2.300 1.700 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.47560E-03 ppm1 8.470 ppm2 1.682 CV 1 ASSI { 1392} (( segid " " and resid 2408 and name H )) (( segid " " and resid 2406 and name HA )) 3.900 1.900 1.900 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.50795E-03 ppm1 8.573 ppm2 4.540 CV 1 ASSI { 1395} (( segid " " and resid 2408 and name H )) (( segid " " and resid 2404 and name HA )) 3.700 1.700 1.700 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.82504E-03 ppm1 8.568 ppm2 3.807 CV 1 ASSI { 1399} (( segid " " and resid 2408 and name H )) ( segid " " and resid 2407 and name HD1%) 5.500 3.800 0.500 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.10029E-03 ppm1 8.578 ppm2 1.073 CV 1 OR { 1399} (( segid " " and resid 2408 and name H )) ( segid " " and resid 2407 and name HD2%) ASSI { 1400} (( segid " " and resid 2408 and name H )) ( segid " " and resid 2323 and name HD2%) 5.400 3.700 0.600 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.14559E-03 ppm1 8.572 ppm2 0.947 CV 1 OR { 1400} (( segid " " and resid 2408 and name H )) ( segid " " and resid 2323 and name HD1%) ASSI { 1401} (( segid " " and resid 2408 and name H )) ( segid " " and resid 2411 and name HB% ) 4.800 2.900 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.23618E-03 ppm1 8.568 ppm2 1.361 CV 1 ASSI { 1404} (( segid " " and resid 2407 and name H )) (( segid " " and resid 2408 and name H )) 2.800 1.000 1.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.20383E-02 ppm1 8.319 ppm2 8.561 CV 1 ASSI { 1405} (( segid " " and resid 2407 and name H )) (( segid " " and resid 2404 and name HA )) 3.000 1.100 1.100 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.18085E-02 ppm1 8.318 ppm2 3.809 CV 1 ASSI { 1406} (( segid " " and resid 2407 and name H )) (( segid " " and resid 2406 and name HB2 )) 2.900 1.000 1.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.18345E-02 ppm1 8.319 ppm2 3.080 CV 1 ASSI { 1407} (( segid " " and resid 2407 and name H )) (( segid " " and resid 2406 and name HB3 )) 3.600 1.600 1.600 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.17309E-02 ppm1 8.318 ppm2 2.973 CV 1 ASSI { 1409} (( segid " " and resid 2407 and name H )) (( segid " " and resid 2407 and name HG )) 4.000 2.000 2.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.12230E-02 ppm1 8.316 ppm2 1.808 CV 1 ASSI { 1410} (( segid " " and resid 2378 and name H )) (( segid " " and resid 2379 and name HG13)) 3.800 3.800 2.200 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 8.316 ppm2 1.595 CV 1 ASSI { 1415} (( segid " " and resid 2406 and name H )) (( segid " " and resid 2406 and name HA )) 2.500 0.800 0.800 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.49889E-02 ppm1 8.311 ppm2 4.539 CV 1 ASSI { 1416} (( segid " " and resid 2406 and name H )) (( segid " " and resid 2406 and name HB2 )) 2.400 0.700 0.700 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.43192E-02 ppm1 8.310 ppm2 3.080 CV 1 ASSI { 1418} (( segid " " and resid 2406 and name H )) (( segid " " and resid 2405 and name HA )) 3.200 1.300 1.300 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.17406E-02 ppm1 8.309 ppm2 4.369 CV 1 ASSI { 1419} (( segid " " and resid 2406 and name H )) (( segid " " and resid 2403 and name HA )) 2.900 1.000 1.000 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.26530E-02 ppm1 8.310 ppm2 4.280 CV 1 ASSI { 1420} (( segid " " and resid 2406 and name H )) ( segid " " and resid 2431 and name HG2%) 5.200 3.400 0.800 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.13912E-03 ppm1 8.309 ppm2 1.110 CV 1 ASSI { 1421} (( segid " " and resid 2406 and name H )) (( segid " " and resid 2407 and name HB2 )) 4.500 2.500 1.500 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.60825E-03 ppm1 8.306 ppm2 1.720 CV 1 ASSI { 1423} (( segid " " and resid 2406 and name H )) (( segid " " and resid 2407 and name HB3 )) 4.600 2.600 1.400 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.46266E-03 ppm1 8.310 ppm2 2.277 CV 1 ASSI { 1424} (( segid " " and resid 2412 and name H )) (( segid " " and resid 2411 and name H )) 2.600 0.800 0.800 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.37368E-02 ppm1 8.200 ppm2 8.884 CV 1 ASSI { 1425} (( segid " " and resid 2412 and name H )) (( segid " " and resid 2413 and name H )) 2.600 0.800 0.800 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 8.200 ppm2 7.910 CV 1 ASSI { 1427} (( segid " " and resid 2412 and name H )) (( segid " " and resid 2412 and name HA )) 2.500 0.800 0.800 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.57039E-02 ppm1 8.200 ppm2 4.315 CV 1 ASSI { 1428} (( segid " " and resid 2412 and name H )) (( segid " " and resid 2411 and name HA )) 3.200 1.200 1.200 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.18248E-02 ppm1 8.200 ppm2 4.022 CV 1 ASSI { 1429} (( segid " " and resid 2412 and name H )) (( segid " " and resid 2409 and name HA )) 2.900 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.26142E-02 ppm1 8.200 ppm2 4.204 CV 1 ASSI { 1432} (( segid " " and resid 2412 and name H )) ( segid " " and resid 2413 and name HB% ) 4.600 2.700 1.400 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.48207E-03 ppm1 8.200 ppm2 1.591 CV 1 ASSI { 1434} (( segid " " and resid 2412 and name H )) ( segid " " and resid 2323 and name HD1%) 3.200 1.300 1.300 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.63413E-03 ppm1 8.200 ppm2 0.946 CV 1 ASSI { 1435} (( segid " " and resid 2412 and name H )) ( segid " " and resid 2326 and name HD1%) 4.600 2.600 1.400 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.31059E-03 ppm1 8.200 ppm2 1.035 CV 1 ASSI { 1437} (( segid " " and resid 2410 and name H )) (( segid " " and resid 2408 and name HA )) 3.700 1.700 1.700 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.77648E-03 ppm1 8.267 ppm2 4.047 CV 1 ASSI { 1442} (( segid " " and resid 2413 and name H )) (( segid " " and resid 2414 and name H )) 2.600 0.800 0.800 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.41898E-02 ppm1 7.919 ppm2 8.096 CV 1 ASSI { 1443} (( segid " " and resid 2413 and name H )) (( segid " " and resid 2411 and name H )) 3.900 1.900 1.900 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.65678E-03 ppm1 7.919 ppm2 8.886 CV 1 ASSI { 1444} (( segid " " and resid 2413 and name H )) (( segid " " and resid 2416 and name H )) 4.200 2.200 1.800 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.42383E-03 ppm1 7.917 ppm2 7.666 CV 1 ASSI { 1445} (( segid " " and resid 2413 and name H )) (( segid " " and resid 2411 and name HA )) 3.700 1.700 1.700 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.74091E-03 ppm1 7.922 ppm2 4.024 CV 1 ASSI { 1446} (( segid " " and resid 2413 and name H )) (( segid " " and resid 2413 and name HA )) 2.400 0.700 0.700 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.63089E-02 ppm1 7.918 ppm2 4.173 CV 1 ASSI { 1447} (( segid " " and resid 2413 and name H )) (( segid " " and resid 2412 and name HA )) 2.800 1.000 1.000 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.37239E-02 ppm1 7.919 ppm2 4.316 CV 1 ASSI { 1450} (( segid " " and resid 2413 and name H )) ( segid " " and resid 2413 and name HB% ) 2.600 0.800 0.800 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.41477E-02 ppm1 7.919 ppm2 1.603 CV 1 ASSI { 1451} (( segid " " and resid 2413 and name H )) ( segid " " and resid 2411 and name HB% ) 3.800 1.800 1.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.22324E-03 ppm1 7.922 ppm2 1.382 CV 1 ASSI { 1452} (( segid " " and resid 2413 and name H )) (( segid " " and resid 2409 and name HB3 )) 3.100 3.100 2.900 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.70207E-03 ppm1 7.924 ppm2 2.213 CV 1 ASSI { 1453} (( segid " " and resid 2413 and name H )) (( segid " " and resid 2416 and name HB2 )) 4.200 2.200 1.800 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.59530E-03 ppm1 7.925 ppm2 2.422 CV 1 ASSI { 1455} (( segid " " and resid 2414 and name H )) (( segid " " and resid 2416 and name H )) 3.800 1.800 1.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.59530E-03 ppm1 8.106 ppm2 7.687 CV 1 ASSI { 1456} (( segid " " and resid 2414 and name H )) (( segid " " and resid 2415 and name H )) 3.000 1.100 1.100 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.16921E-02 ppm1 8.100 ppm2 8.182 CV 1 ASSI { 1457} (( segid " " and resid 2414 and name H )) (( segid " " and resid 2412 and name HA )) 3.200 1.300 1.300 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.16112E-02 ppm1 8.102 ppm2 4.312 CV 1 ASSI { 1458} (( segid " " and resid 2414 and name H )) (( segid " " and resid 2414 and name HA )) 2.500 0.800 0.800 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.66972E-02 ppm1 8.101 ppm2 4.179 CV 1 ASSI { 1459} (( segid " " and resid 2414 and name H )) (( segid " " and resid 2411 and name HA )) 2.800 1.000 1.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.28083E-02 ppm1 8.104 ppm2 4.019 CV 1 ASSI { 1460} (( segid " " and resid 2414 and name H )) (( segid " " and resid 2418 and name HB3 )) 4.200 2.200 1.800 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.54354E-03 ppm1 8.096 ppm2 3.044 CV 1 ASSI { 1461} (( segid " " and resid 2414 and name H )) ( segid " " and resid 2414 and name HB% ) 2.700 0.900 0.900 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.35039E-02 ppm1 8.101 ppm2 1.670 CV 1 ASSI { 1462} (( segid " " and resid 2414 and name H )) ( segid " " and resid 2419 and name HB% ) 4.600 2.600 1.400 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.46589E-03 ppm1 8.100 ppm2 1.511 CV 1 ASSI { 1463} (( segid " " and resid 2414 and name H )) ( segid " " and resid 2424 and name HD1%) 4.200 2.200 1.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.35912E-03 ppm1 8.102 ppm2 0.897 CV 1 ASSI { 1464} (( segid " " and resid 2415 and name H )) (( segid " " and resid 2416 and name H )) 2.500 0.800 0.800 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.39957E-02 ppm1 8.169 ppm2 7.681 CV 1 ASSI { 1467} (( segid " " and resid 2415 and name H )) (( segid " " and resid 2412 and name HA )) 3.100 1.200 1.200 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.15756E-02 ppm1 8.168 ppm2 4.318 CV 1 ASSI { 1473} (( segid " " and resid 2415 and name H )) ( segid " " and resid 2414 and name HB% ) 3.200 1.200 1.200 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.12877E-02 ppm1 8.169 ppm2 1.673 CV 1 ASSI { 1474} (( segid " " and resid 2415 and name H )) ( segid " " and resid 2413 and name HB% ) 5.200 3.400 0.800 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.20706E-03 ppm1 8.168 ppm2 1.582 CV 1 ASSI { 1477} (( segid " " and resid 2416 and name H )) (( segid " " and resid 2412 and name HA )) 3.800 1.800 1.800 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.62766E-03 ppm1 7.689 ppm2 4.310 CV 1 ASSI { 1478} (( segid " " and resid 2416 and name H )) (( segid " " and resid 2413 and name HA )) 2.900 1.100 1.100 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.27080E-02 ppm1 7.690 ppm2 4.174 CV 1 ASSI { 1480} (( segid " " and resid 2416 and name H )) (( segid " " and resid 2418 and name HB3 )) 4.100 2.200 1.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.51442E-03 ppm1 7.685 ppm2 3.052 CV 1 ASSI { 1484} (( segid " " and resid 2416 and name H )) ( segid " " and resid 2414 and name HB% ) 4.900 3.000 1.100 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.31707E-03 ppm1 7.689 ppm2 1.648 CV 1 ASSI { 1485} (( segid " " and resid 2416 and name H )) ( segid " " and resid 2413 and name HB% ) 4.900 3.000 1.100 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.27177E-03 ppm1 7.692 ppm2 1.608 CV 1 ASSI { 1486} (( segid " " and resid 2416 and name H )) ( segid " " and resid 2415 and name HG2%) 4.300 2.300 1.700 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.63089E-03 ppm1 7.690 ppm2 1.193 CV 1 ASSI { 1488} (( segid " " and resid 2417 and name H )) (( segid " " and resid 2418 and name H )) 2.800 0.900 0.900 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.31027E-02 ppm1 7.757 ppm2 8.347 CV 1 ASSI { 1489} (( segid " " and resid 2417 and name H )) (( segid " " and resid 2415 and name H )) 3.800 1.800 1.800 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.99329E-03 ppm1 7.756 ppm2 8.152 CV 1 ASSI { 1490} (( segid " " and resid 2417 and name H )) (( segid " " and resid 2416 and name HA )) 2.900 1.100 1.100 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.24685E-02 ppm1 7.758 ppm2 4.463 CV 1 ASSI { 1493} (( segid " " and resid 2417 and name H )) (( segid " " and resid 2418 and name HB3 )) 4.700 2.700 1.300 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.42707E-03 ppm1 7.763 ppm2 3.066 CV 1 ASSI { 1494} (( segid " " and resid 2417 and name H )) (( segid " " and resid 2416 and name HG2 )) 4.100 2.100 1.900 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.69885E-03 ppm1 7.753 ppm2 2.642 CV 1 ASSI { 1495} (( segid " " and resid 2417 and name H )) (( segid " " and resid 2416 and name HB2 )) 3.600 1.700 1.700 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.89945E-03 ppm1 7.755 ppm2 2.429 CV 1 ASSI { 1496} (( segid " " and resid 2417 and name H )) (( segid " " and resid 2416 and name HB3 )) 3.900 1.900 1.900 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.96087E-03 ppm1 7.757 ppm2 2.083 CV 1 ASSI { 1497} (( segid " " and resid 2417 and name H )) (( segid " " and resid 2342 and name HB3 )) 3.800 1.800 1.800 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.43354E-03 ppm1 7.758 ppm2 1.950 CV 1 ASSI { 1498} (( segid " " and resid 2417 and name H )) ( segid " " and resid 2414 and name HB% ) 4.800 2.900 1.200 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.23294E-03 ppm1 7.758 ppm2 1.675 CV 1 ASSI { 1499} (( segid " " and resid 2417 and name H )) ( segid " " and resid 2415 and name HG2%) 4.100 2.100 1.900 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.13912E-03 ppm1 7.749 ppm2 1.197 CV 1 ASSI { 1500} (( segid " " and resid 2417 and name H )) ( segid " " and resid 2415 and name HG1%) 3.900 1.900 1.900 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.19412E-03 ppm1 7.753 ppm2 1.080 CV 1 ASSI { 1502} (( segid " " and resid 2418 and name H )) (( segid " " and resid 2419 and name H )) 4.100 2.100 1.900 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.61472E-03 ppm1 8.355 ppm2 8.504 CV 1 ASSI { 1504} (( segid " " and resid 2418 and name H )) (( segid " " and resid 2417 and name HA2 )) 2.900 1.000 1.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.41316E-02 ppm1 8.353 ppm2 4.187 CV 1 ASSI { 1508} (( segid " " and resid 2418 and name H )) (( segid " " and resid 2416 and name HB2 )) 3.500 1.500 1.500 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.59854E-03 ppm1 8.351 ppm2 2.424 CV 1 ASSI { 1510} (( segid " " and resid 2419 and name H )) (( segid " " and resid 2418 and name HA )) 2.900 1.000 1.000 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 8.491 ppm2 5.052 CV 1 ASSI { 1511} (( segid " " and resid 2419 and name H )) (( segid " " and resid 2419 and name HA )) 3.100 1.200 1.200 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.17244E-02 ppm1 8.487 ppm2 4.381 CV 1 ASSI { 1512} (( segid " " and resid 2419 and name H )) (( segid " " and resid 2414 and name HA )) 3.400 1.400 1.400 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.12747E-02 ppm1 8.491 ppm2 4.191 CV 1 ASSI { 1514} (( segid " " and resid 2419 and name H )) (( segid " " and resid 2418 and name HB3 )) 4.200 2.200 1.800 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.49501E-03 ppm1 8.492 ppm2 3.067 CV 1 ASSI { 1515} (( segid " " and resid 2419 and name H )) ( segid " " and resid 2419 and name HB% ) 3.300 1.400 1.400 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.11712E-02 ppm1 8.490 ppm2 1.517 CV 1 ASSI { 1517} (( segid " " and resid 2420 and name H )) (( segid " " and resid 2419 and name HA )) 2.200 0.600 0.600 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.10499E-01 ppm1 8.372 ppm2 4.378 CV 1 ASSI { 1520} (( segid " " and resid 2420 and name H )) (( segid " " and resid 2423 and name HE3 )) 4.500 2.500 1.500 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.24265E-03 ppm1 8.373 ppm2 3.072 CV 1 OR { 1520} (( segid " " and resid 2420 and name H )) (( segid " " and resid 2423 and name HE2 )) ASSI { 1521} (( segid " " and resid 2420 and name H )) (( segid " " and resid 2423 and name HD3 )) 5.000 3.100 1.000 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.21677E-03 ppm1 8.368 ppm2 1.817 CV 1 OR { 1521} (( segid " " and resid 2420 and name H )) (( segid " " and resid 2423 and name HD2 )) ASSI { 1524} (( segid " " and resid 2420 and name H )) ( segid " " and resid 2424 and name HD2%) 4.100 2.100 1.900 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.35589E-03 ppm1 8.372 ppm2 1.004 CV 1 ASSI { 1525} (( segid " " and resid 2420 and name H )) ( segid " " and resid 2424 and name HD1%) 5.300 3.500 0.700 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.11001E-03 ppm1 8.374 ppm2 0.868 CV 1 ASSI { 1529} (( segid " " and resid 2421 and name H )) (( segid " " and resid 2421 and name HG3 )) 4.300 2.300 1.700 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.35265E-03 ppm1 9.145 ppm2 2.425 CV 1 OR { 1529} (( segid " " and resid 2421 and name H )) (( segid " " and resid 2421 and name HG2 )) ASSI { 1530} (( segid " " and resid 2421 and name H )) (( segid " " and resid 2421 and name HB2 )) 3.000 1.200 1.200 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.11194E-02 ppm1 9.142 ppm2 2.133 CV 1 ASSI { 1531} (( segid " " and resid 2422 and name H )) (( segid " " and resid 2421 and name H )) 3.400 1.400 1.400 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.81854E-03 ppm1 8.780 ppm2 9.128 CV 1 ASSI { 1532} (( segid " " and resid 2422 and name H )) (( segid " " and resid 2420 and name H )) 4.100 2.100 1.900 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.51765E-03 ppm1 8.779 ppm2 8.345 CV 1 ASSI { 1533} (( segid " " and resid 2422 and name H )) (( segid " " and resid 2424 and name H )) 3.700 1.700 1.700 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.67943E-03 ppm1 8.785 ppm2 8.208 CV 1 ASSI { 1534} (( segid " " and resid 2422 and name H )) (( segid " " and resid 2423 and name H )) 2.800 1.000 1.000 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.26012E-02 ppm1 8.777 ppm2 7.941 CV 1 ASSI { 1535} (( segid " " and resid 2422 and name H )) (( segid " " and resid 2420 and name HA )) 3.500 1.500 1.500 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.95444E-03 ppm1 8.777 ppm2 4.870 CV 1 ASSI { 1536} (( segid " " and resid 2422 and name H )) (( segid " " and resid 2423 and name HA )) 4.400 2.400 1.600 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.60825E-03 ppm1 8.774 ppm2 4.234 CV 1 ASSI { 1538} (( segid " " and resid 2422 and name H )) (( segid " " and resid 2421 and name HA )) 3.100 1.200 1.200 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.16824E-02 ppm1 8.778 ppm2 3.986 CV 1 ASSI { 1539} (( segid " " and resid 2422 and name H )) (( segid " " and resid 2422 and name HG2 )) 3.500 1.500 1.500 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.11841E-02 ppm1 8.777 ppm2 2.397 CV 1 OR { 1539} (( segid " " and resid 2422 and name H )) (( segid " " and resid 2422 and name HG3 )) ASSI { 1542} (( segid " " and resid 2422 and name H )) (( segid " " and resid 2424 and name HB2 )) 4.500 2.600 1.500 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.44648E-03 ppm1 8.774 ppm2 1.520 CV 1 ASSI { 1543} (( segid " " and resid 2422 and name H )) ( segid " " and resid 2425 and name HD1%) 4.600 2.700 1.400 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.23294E-03 ppm1 8.779 ppm2 0.970 CV 1 ASSI { 1546} (( segid " " and resid 2423 and name H )) (( segid " " and resid 2423 and name HD3 )) 4.400 2.500 1.600 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.54354E-03 ppm1 7.952 ppm2 1.808 CV 1 OR { 1546} (( segid " " and resid 2423 and name H )) (( segid " " and resid 2423 and name HD2 )) ASSI { 1551} (( segid " " and resid 2428 and name H )) (( segid " " and resid 2429 and name H )) 2.600 0.800 0.800 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.33906E-02 ppm1 8.247 ppm2 8.480 CV 1 ASSI { 1552} (( segid " " and resid 2428 and name H )) (( segid " " and resid 2430 and name H )) 3.600 1.700 1.700 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.10741E-02 ppm1 8.245 ppm2 8.358 CV 1 ASSI { 1553} (( segid " " and resid 2429 and name H )) (( segid " " and resid 2430 and name H )) 2.500 0.800 0.800 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.40280E-02 ppm1 8.488 ppm2 8.359 CV 1 ASSI { 1555} (( segid " " and resid 2428 and name H )) (( segid " " and resid 2426 and name HA )) 3.800 1.800 1.800 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.67943E-03 ppm1 8.243 ppm2 4.230 CV 1 ASSI { 1556} (( segid " " and resid 2428 and name H )) (( segid " " and resid 2428 and name HA )) 2.500 0.800 0.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.50213E-02 ppm1 8.246 ppm2 4.051 CV 1 ASSI { 1557} (( segid " " and resid 2428 and name H )) (( segid " " and resid 2424 and name HA )) 3.200 1.300 1.300 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.12779E-02 ppm1 8.244 ppm2 3.951 CV 1 ASSI { 1559} (( segid " " and resid 2428 and name H )) (( segid " " and resid 2431 and name HB )) 4.500 2.500 1.500 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.41413E-03 ppm1 8.241 ppm2 2.376 CV 1 ASSI { 1560} (( segid " " and resid 2428 and name H )) (( segid " " and resid 2429 and name HB3 )) 5.100 3.200 0.900 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.69885E-03 ppm1 8.245 ppm2 2.101 CV 1 ASSI { 1561} (( segid " " and resid 2428 and name H )) (( segid " " and resid 2429 and name HG3 )) 3.900 1.900 1.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.85739E-03 ppm1 8.246 ppm2 1.798 CV 1 ASSI { 1563} (( segid " " and resid 2428 and name H )) ( segid " " and resid 2410 and name HB% ) 3.700 1.700 1.700 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.24913E-03 ppm1 8.245 ppm2 1.559 CV 1 ASSI { 1564} (( segid " " and resid 2428 and name H )) ( segid " " and resid 2471 and name HG2%) 5.300 3.500 0.700 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.15206E-03 ppm1 8.251 ppm2 1.244 CV 1 ASSI { 1565} (( segid " " and resid 2428 and name H )) ( segid " " and resid 2407 and name HD2%) 4.000 2.000 2.000 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.77969E-03 ppm1 8.246 ppm2 1.051 CV 1 ASSI { 1566} (( segid " " and resid 2429 and name H )) ( segid " " and resid 2471 and name HG2%) 4.500 2.500 1.500 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.26530E-03 ppm1 8.484 ppm2 1.227 CV 1 ASSI { 1568} (( segid " " and resid 2429 and name H )) (( segid " " and resid 2429 and name HG3 )) 2.400 0.700 0.700 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.38760E-02 ppm1 8.488 ppm2 1.799 CV 1 ASSI { 1569} (( segid " " and resid 2429 and name H )) ( segid " " and resid 2428 and name HB% ) 3.100 1.200 1.200 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.16500E-02 ppm1 8.487 ppm2 1.677 CV 1 ASSI { 1571} (( segid " " and resid 2429 and name H )) (( segid " " and resid 2429 and name HB3 )) 3.300 1.300 1.300 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.45425E-02 ppm1 8.487 ppm2 2.109 CV 1 ASSI { 1572} (( segid " " and resid 2429 and name H )) (( segid " " and resid 2429 and name HB2 )) 2.400 0.700 0.700 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.34974E-02 ppm1 8.489 ppm2 2.009 CV 1 ASSI { 1573} (( segid " " and resid 2429 and name H )) (( segid " " and resid 2430 and name HB2 )) 4.200 2.300 1.800 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.75384E-03 ppm1 8.489 ppm2 2.449 CV 1 ASSI { 1574} (( segid " " and resid 2429 and name H )) (( segid " " and resid 2430 and name HB3 )) 5.000 3.100 1.000 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.72799E-03 ppm1 8.488 ppm2 2.338 CV 1 ASSI { 1577} (( segid " " and resid 2429 and name H )) (( segid " " and resid 2430 and name HA )) 4.500 2.500 1.500 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.57266E-03 ppm1 8.492 ppm2 4.374 CV 1 ASSI { 1578} (( segid " " and resid 2429 and name H )) (( segid " " and resid 2426 and name HA )) 3.100 1.200 1.200 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.17568E-02 ppm1 8.487 ppm2 4.241 CV 1 ASSI { 1582} (( segid " " and resid 2430 and name H )) (( segid " " and resid 2429 and name HA )) 3.100 1.200 1.200 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.18732E-02 ppm1 8.372 ppm2 4.095 CV 1 ASSI { 1584} (( segid " " and resid 2430 and name H )) (( segid " " and resid 2430 and name HG2 )) 2.900 1.000 1.000 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.18765E-02 ppm1 8.372 ppm2 2.637 CV 1 ASSI { 1586} (( segid " " and resid 2430 and name H )) (( segid " " and resid 2430 and name HB3 )) 3.400 1.400 1.400 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.39536E-02 ppm1 8.373 ppm2 2.336 CV 1 ASSI { 1587} (( segid " " and resid 2430 and name H )) (( segid " " and resid 2429 and name HB3 )) 3.300 1.400 1.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.18668E-02 ppm1 8.372 ppm2 2.110 CV 1 ASSI { 1588} (( segid " " and resid 2430 and name H )) (( segid " " and resid 2429 and name HB2 )) 2.800 1.000 1.000 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.19509E-02 ppm1 8.372 ppm2 2.000 CV 1 ASSI { 1589} (( segid " " and resid 2430 and name H )) (( segid " " and resid 2429 and name HG3 )) 3.700 1.700 1.700 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 8.372 ppm2 1.780 CV 1 ASSI { 1590} (( segid " " and resid 2431 and name H )) (( segid " " and resid 2430 and name H )) 2.700 0.900 0.900 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.27145E-02 ppm1 8.513 ppm2 8.365 CV 1 ASSI { 1598} (( segid " " and resid 2431 and name H )) ( segid " " and resid 2431 and name HG1%) 4.500 2.500 1.500 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.62442E-03 ppm1 8.512 ppm2 0.920 CV 1 ASSI { 1599} (( segid " " and resid 2432 and name H )) (( segid " " and resid 2433 and name H )) 2.500 0.800 0.800 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.41186E-02 ppm1 8.030 ppm2 8.629 CV 1 ASSI { 1600} (( segid " " and resid 2432 and name H )) (( segid " " and resid 2431 and name H )) 2.500 0.800 0.800 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.42707E-02 ppm1 8.029 ppm2 8.503 CV 1 ASSI { 1601} (( segid " " and resid 2432 and name H )) (( segid " " and resid 2430 and name H )) 4.000 2.000 2.000 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.62766E-03 ppm1 8.032 ppm2 8.375 CV 1 ASSI { 1605} (( segid " " and resid 2432 and name H )) (( segid " " and resid 2429 and name HA )) 2.900 1.000 1.000 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.20933E-02 ppm1 8.031 ppm2 4.115 CV 1 ASSI { 1609} (( segid " " and resid 2432 and name H )) ( segid " " and resid 2463 and name HG1%) 4.400 2.500 1.600 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.35589E-03 ppm1 8.031 ppm2 1.010 CV 1 ASSI { 1611} (( segid " " and resid 2433 and name H )) (( segid " " and resid 2434 and name H )) 2.500 0.800 0.800 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.47301E-02 ppm1 8.638 ppm2 8.520 CV 1 ASSI { 1613} (( segid " " and resid 2433 and name H )) (( segid " " and resid 2435 and name H )) 3.500 1.500 1.500 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.97708E-03 ppm1 8.640 ppm2 8.144 CV 1 ASSI { 1614} (( segid " " and resid 2433 and name H )) (( segid " " and resid 2430 and name H )) 3.700 1.700 1.700 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.74413E-03 ppm1 8.636 ppm2 8.373 CV 1 ASSI { 1615} (( segid " " and resid 2433 and name H )) (( segid " " and resid 2433 and name HA )) 2.400 0.700 0.700 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.92952E-02 ppm1 8.638 ppm2 4.342 CV 1 ASSI { 1616} (( segid " " and resid 2433 and name H )) (( segid " " and resid 2429 and name HA )) 3.300 1.300 1.300 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.12585E-02 ppm1 8.637 ppm2 4.105 CV 1 ASSI { 1617} (( segid " " and resid 2433 and name H )) (( segid " " and resid 2432 and name HA )) 3.000 1.100 1.100 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.24006E-02 ppm1 8.639 ppm2 4.025 CV 1 ASSI { 1618} (( segid " " and resid 2433 and name H )) (( segid " " and resid 2431 and name HA )) 3.700 1.700 1.700 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.65678E-03 ppm1 8.641 ppm2 3.578 CV 1 ASSI { 1621} (( segid " " and resid 2434 and name H )) (( segid " " and resid 2435 and name H )) 2.700 0.900 0.900 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.31221E-02 ppm1 8.537 ppm2 8.141 CV 1 ASSI { 1622} (( segid " " and resid 2434 and name H )) (( segid " " and resid 2432 and name H )) 3.900 1.900 1.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.79912E-03 ppm1 8.537 ppm2 8.023 CV 1 ASSI { 1623} (( segid " " and resid 2434 and name H )) (( segid " " and resid 2436 and name H )) 4.200 2.200 1.800 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.60825E-03 ppm1 8.535 ppm2 7.823 CV 1 ASSI { 1624} (( segid " " and resid 2434 and name H )) (( segid " " and resid 2434 and name HA )) 2.300 0.700 0.700 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.82048E-02 ppm1 8.536 ppm2 4.339 CV 1 ASSI { 1625} (( segid " " and resid 2434 and name H )) (( segid " " and resid 2434 and name HB3 )) 2.800 1.000 1.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.38436E-02 ppm1 8.536 ppm2 4.016 CV 1 ASSI { 1627} (( segid " " and resid 2434 and name H )) (( segid " " and resid 2431 and name HA )) 3.000 1.200 1.200 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.16242E-02 ppm1 8.536 ppm2 3.601 CV 1 ASSI { 1628} (( segid " " and resid 2434 and name H )) (( segid " " and resid 2437 and name HB2 )) 3.800 1.800 1.800 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.80883E-03 ppm1 8.539 ppm2 2.326 CV 1 ASSI { 1629} (( segid " " and resid 2434 and name H )) ( segid " " and resid 2433 and name HB% ) 2.900 1.100 1.100 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.21515E-02 ppm1 8.537 ppm2 1.626 CV 1 ASSI { 1630} (( segid " " and resid 2434 and name H )) ( segid " " and resid 2404 and name HG2%) 5.200 3.400 0.800 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.17471E-03 ppm1 8.537 ppm2 1.371 CV 1 ASSI { 1631} (( segid " " and resid 2434 and name H )) ( segid " " and resid 2431 and name HG2%) 3.600 1.700 1.700 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.28148E-03 ppm1 8.536 ppm2 1.088 CV 1 ASSI { 1632} (( segid " " and resid 2434 and name H )) ( segid " " and resid 2431 and name HG1%) 4.900 3.000 1.100 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.19412E-03 ppm1 8.534 ppm2 0.930 CV 1 ASSI { 1634} (( segid " " and resid 2435 and name H )) (( segid " " and resid 2435 and name HB )) 2.500 0.800 0.800 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.42448E-02 ppm1 8.153 ppm2 4.417 CV 1 ASSI { 1639} (( segid " " and resid 2435 and name H )) (( segid " " and resid 2434 and name HA )) 2.900 1.100 1.100 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.24298E-02 ppm1 8.152 ppm2 4.330 CV 1 ASSI { 1641} (( segid " " and resid 2435 and name H )) ( segid " " and resid 2400 and name HG1%) 4.400 2.500 1.600 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.42383E-03 ppm1 8.153 ppm2 1.073 CV 1 ASSI { 1643} (( segid " " and resid 2434 and name H )) (( segid " " and resid 2435 and name HB )) 4.000 2.000 2.000 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.12262E-02 ppm1 8.537 ppm2 4.422 CV 1 ASSI { 1644} (( segid " " and resid 2436 and name H )) (( segid " " and resid 2437 and name H )) 2.500 0.800 0.800 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.39730E-02 ppm1 7.836 ppm2 7.728 CV 1 ASSI { 1645} (( segid " " and resid 2436 and name H )) (( segid " " and resid 2435 and name H )) 2.600 0.800 0.800 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.35233E-02 ppm1 7.836 ppm2 8.146 CV 1 ASSI { 1646} (( segid " " and resid 2436 and name H )) (( segid " " and resid 2438 and name H )) 3.800 1.800 1.800 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.95122E-03 ppm1 7.835 ppm2 8.019 CV 1 ASSI { 1647} (( segid " " and resid 2436 and name H )) (( segid " " and resid 2433 and name H )) 4.000 2.000 2.000 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.42060E-03 ppm1 7.841 ppm2 8.632 CV 1 ASSI { 1649} (( segid " " and resid 2436 and name H )) (( segid " " and resid 2435 and name HB )) 2.500 0.800 0.800 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.40701E-02 ppm1 7.836 ppm2 4.423 CV 1 ASSI { 1650} (( segid " " and resid 2436 and name H )) (( segid " " and resid 2433 and name HA )) 2.800 1.000 1.000 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.32289E-02 ppm1 7.837 ppm2 4.331 CV 1 ASSI { 1651} (( segid " " and resid 2436 and name H )) (( segid " " and resid 2436 and name HA )) 2.200 0.600 0.600 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.75451E-02 ppm1 7.836 ppm2 4.182 CV 1 ASSI { 1653} (( segid " " and resid 2436 and name H )) (( segid " " and resid 2435 and name HA )) 3.100 1.200 1.200 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.17438E-02 ppm1 7.836 ppm2 3.803 CV 1 ASSI { 1654} (( segid " " and resid 2436 and name H )) (( segid " " and resid 2437 and name HB2 )) 4.200 2.200 1.800 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.79590E-03 ppm1 7.838 ppm2 2.332 CV 1 ASSI { 1655} (( segid " " and resid 2436 and name H )) (( segid " " and resid 2437 and name HB3 )) 4.400 2.400 1.600 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.69557E-03 ppm1 7.832 ppm2 2.239 CV 1 ASSI { 1656} (( segid " " and resid 2436 and name H )) (( segid " " and resid 2464 and name HB2 )) 3.900 1.900 1.900 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.46913E-03 ppm1 7.840 ppm2 2.050 CV 1 ASSI { 1657} (( segid " " and resid 2436 and name H )) ( segid " " and resid 2436 and name HB% ) 2.500 0.800 0.800 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.48078E-02 ppm1 7.837 ppm2 1.656 CV 1 ASSI { 1658} (( segid " " and resid 2436 and name H )) ( segid " " and resid 2359 and name HD2%) 5.000 3.100 1.000 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.24913E-03 ppm1 7.838 ppm2 1.160 CV 1 ASSI { 1661} (( segid " " and resid 2437 and name H )) (( segid " " and resid 2434 and name H )) 4.000 2.000 2.000 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.55001E-03 ppm1 7.750 ppm2 8.521 CV 1 ASSI { 1662} (( segid " " and resid 2437 and name H )) (( segid " " and resid 2439 and name H )) 3.700 1.700 1.700 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.75063E-03 ppm1 7.745 ppm2 8.201 CV 1 ASSI { 1663} (( segid " " and resid 2437 and name H )) (( segid " " and resid 2438 and name H )) 2.500 0.800 0.800 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.38048E-02 ppm1 7.742 ppm2 8.008 CV 1 ASSI { 1664} (( segid " " and resid 2437 and name H )) (( segid " " and resid 2434 and name HA )) 2.900 1.100 1.100 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.30639E-02 ppm1 7.743 ppm2 4.328 CV 1 ASSI { 1667} (( segid " " and resid 2437 and name H )) (( segid " " and resid 2435 and name HA )) 3.400 1.400 1.400 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.84446E-03 ppm1 7.742 ppm2 3.795 CV 1 ASSI { 1672} (( segid " " and resid 2437 and name H )) (( segid " " and resid 2438 and name HB3 )) 5.000 3.200 1.000 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.26854E-03 ppm1 7.745 ppm2 1.508 CV 1 ASSI { 1673} (( segid " " and resid 2437 and name H )) ( segid " " and resid 2440 and name HG1%) 5.300 3.500 0.700 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.20383E-03 ppm1 7.743 ppm2 1.182 CV 1 ASSI { 1679} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2437 and name HG2 )) 4.400 2.500 1.600 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.37206E-03 ppm1 8.027 ppm2 2.534 CV 1 OR { 1679} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2437 and name HG3 )) ASSI { 1681} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2438 and name HB3 )) 2.300 0.600 0.600 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.73087E-02 ppm1 8.019 ppm2 1.503 CV 1 ASSI { 1688} (( segid " " and resid 2439 and name H )) (( segid " " and resid 2460 and name HA3 )) 5.300 3.500 0.700 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.38177E-03 ppm1 8.216 ppm2 3.802 CV 1 ASSI { 1689} (( segid " " and resid 2439 and name H )) (( segid " " and resid 2440 and name HA )) 4.700 2.700 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.43030E-03 ppm1 8.222 ppm2 3.708 CV 1 ASSI { 1692} (( segid " " and resid 2439 and name H )) (( segid " " and resid 2439 and name HB3 )) 3.100 1.200 1.200 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.46945E-02 ppm1 8.216 ppm2 1.682 CV 1 ASSI { 1694} (( segid " " and resid 2439 and name H )) ( segid " " and resid 2440 and name HG1%) 4.800 2.900 1.200 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.35912E-03 ppm1 8.219 ppm2 1.180 CV 1 ASSI { 1696} (( segid " " and resid 2438 and name H )) (( segid " " and resid 2438 and name HA )) 2.400 0.700 0.700 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.53901E-02 ppm1 8.019 ppm2 4.053 CV 1 ASSI { 1697} (( segid " " and resid 2440 and name H )) (( segid " " and resid 2439 and name H )) 2.800 1.000 1.000 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 7.991 ppm2 8.213 CV 1 ASSI { 1698} (( segid " " and resid 2440 and name H )) (( segid " " and resid 2437 and name HA )) 3.100 1.200 1.200 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.14398E-02 ppm1 7.994 ppm2 4.162 CV 1 ASSI { 1699} (( segid " " and resid 2440 and name H )) (( segid " " and resid 2439 and name HA )) 3.700 1.700 1.700 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.68592E-03 ppm1 7.985 ppm2 3.980 CV 1 ASSI { 1700} (( segid " " and resid 2440 and name H )) (( segid " " and resid 2440 and name HA )) 2.800 1.000 1.000 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.25171E-02 ppm1 7.990 ppm2 3.691 CV 1 ASSI { 1701} (( segid " " and resid 2440 and name H )) (( segid " " and resid 2440 and name HB )) 2.500 0.800 0.800 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.39730E-02 ppm1 7.991 ppm2 2.241 CV 1 ASSI { 1704} (( segid " " and resid 2440 and name H )) ( segid " " and resid 2441 and name HB% ) 5.100 3.300 0.900 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.25236E-03 ppm1 7.993 ppm2 1.516 CV 1 ASSI { 1707} (( segid " " and resid 2440 and name H )) ( segid " " and resid 2439 and name HD1%) 5.600 3.900 0.400 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.16177E-03 ppm1 7.990 ppm2 0.960 CV 1 ASSI { 1708} (( segid " " and resid 2441 and name H )) (( segid " " and resid 2441 and name HA )) 2.500 0.800 0.800 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.60016E-02 ppm1 8.002 ppm2 4.348 CV 1 ASSI { 1709} (( segid " " and resid 2441 and name H )) (( segid " " and resid 2437 and name HA )) 3.500 1.500 1.500 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.11518E-02 ppm1 8.000 ppm2 4.156 CV 1 ASSI { 1710} (( segid " " and resid 2441 and name H )) (( segid " " and resid 2438 and name HA )) 3.000 1.200 1.200 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.16209E-02 ppm1 8.001 ppm2 4.056 CV 1 ASSI { 1711} (( segid " " and resid 2441 and name H )) (( segid " " and resid 2440 and name HA )) 3.100 1.200 1.200 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.18571E-02 ppm1 8.003 ppm2 3.692 CV 1 ASSI { 1712} (( segid " " and resid 2441 and name H )) (( segid " " and resid 2442 and name HB3 )) 4.800 2.900 1.200 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.40766E-03 ppm1 8.001 ppm2 3.061 CV 1 ASSI { 1713} (( segid " " and resid 2441 and name H )) (( segid " " and resid 2440 and name HB )) 2.600 0.800 0.800 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.46395E-02 ppm1 8.002 ppm2 2.242 CV 1 ASSI { 1714} (( segid " " and resid 2441 and name H )) ( segid " " and resid 2441 and name HB% ) 2.700 0.900 0.900 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.35589E-02 ppm1 8.002 ppm2 1.523 CV 1 ASSI { 1715} (( segid " " and resid 2441 and name H )) ( segid " " and resid 2440 and name HG1%) 3.500 1.600 1.600 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.86710E-03 ppm1 8.003 ppm2 1.179 CV 1 ASSI { 1716} (( segid " " and resid 2441 and name H )) ( segid " " and resid 2440 and name HG2%) 4.000 2.000 2.000 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.87681E-03 ppm1 8.001 ppm2 1.067 CV 1 ASSI { 1717} (( segid " " and resid 2441 and name H )) ( segid " " and resid 2393 and name HD1%) 5.500 3.800 0.500 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.16177E-03 ppm1 8.002 ppm2 0.600 CV 1 ASSI { 1718} (( segid " " and resid 2441 and name H )) ( segid " " and resid 2438 and name HD1%) 4.600 2.600 1.400 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.26530E-03 ppm1 8.002 ppm2 0.960 CV 1 ASSI { 1719} (( segid " " and resid 2442 and name H )) (( segid " " and resid 2443 and name H )) 2.900 1.100 1.100 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.17503E-02 ppm1 7.997 ppm2 8.149 CV 1 ASSI { 1721} (( segid " " and resid 2442 and name H )) (( segid " " and resid 2441 and name HA )) 3.600 1.700 1.700 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.76355E-03 ppm1 7.993 ppm2 4.350 CV 1 ASSI { 1722} (( segid " " and resid 2442 and name H )) (( segid " " and resid 2443 and name HA )) 4.800 2.800 1.200 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.47560E-03 ppm1 7.998 ppm2 4.245 CV 1 ASSI { 1723} (( segid " " and resid 2442 and name H )) (( segid " " and resid 2439 and name HA )) 3.200 1.200 1.200 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.12392E-02 ppm1 8.001 ppm2 3.972 CV 1 ASSI { 1724} (( segid " " and resid 2442 and name H )) (( segid " " and resid 2440 and name HA )) 4.000 2.000 2.000 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.46266E-03 ppm1 7.998 ppm2 3.690 CV 1 ASSI { 1727} (( segid " " and resid 2442 and name H )) (( segid " " and resid 2439 and name HB3 )) 4.200 2.200 1.800 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.31707E-03 ppm1 8.000 ppm2 1.689 CV 1 ASSI { 1728} (( segid " " and resid 2442 and name H )) ( segid " " and resid 2441 and name HB% ) 3.400 1.500 1.500 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.86710E-03 ppm1 7.998 ppm2 1.525 CV 1 ASSI { 1730} (( segid " " and resid 2442 and name H )) ( segid " " and resid 2438 and name HD1%) 3.800 1.800 1.800 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.22000E-03 ppm1 8.002 ppm2 0.927 CV 1 ASSI { 1731} (( segid " " and resid 2442 and name H )) ( segid " " and resid 2393 and name HD1%) 5.000 3.100 1.000 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.10677E-03 ppm1 7.993 ppm2 0.585 CV 1 ASSI { 1732} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2451 and name H )) 4.500 2.500 1.500 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.55648E-03 ppm1 7.672 ppm2 9.059 CV 1 ASSI { 1733} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2449 and name H )) 2.700 0.900 0.900 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.32807E-02 ppm1 7.673 ppm2 8.495 CV 1 ASSI { 1734} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2454 and name H )) 4.100 2.100 1.900 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.55001E-03 ppm1 7.669 ppm2 8.332 CV 1 ASSI { 1735} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2453 and name H )) 4.300 2.300 1.700 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.66001E-03 ppm1 7.675 ppm2 7.899 CV 1 ASSI { 1739} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2450 and name HB3 )) 2.600 0.900 0.900 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.27986E-02 ppm1 7.673 ppm2 4.421 CV 1 ASSI { 1740} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2448 and name HA )) 3.200 1.300 1.300 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.12974E-02 ppm1 7.672 ppm2 4.180 CV 1 ASSI { 1744} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2454 and name HE3 )) 4.300 2.300 1.700 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.26207E-03 ppm1 7.667 ppm2 3.026 CV 1 OR { 1744} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2454 and name HE2 )) ASSI { 1745} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2453 and name HB2 )) 3.100 1.200 1.200 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.18959E-02 ppm1 7.674 ppm2 2.202 CV 1 OR { 1745} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2453 and name HB3 )) ASSI { 1746} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2454 and name HD2 )) 4.300 2.300 1.700 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.35265E-03 ppm1 7.675 ppm2 1.750 CV 1 OR { 1746} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2454 and name HD3 )) ASSI { 1747} (( segid " " and resid 2450 and name H )) ( segid " " and resid 2446 and name HB% ) 4.800 2.900 1.200 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.23294E-03 ppm1 7.670 ppm2 1.482 CV 1 ASSI { 1748} (( segid " " and resid 2450 and name H )) (( segid " " and resid 2453 and name HG3 )) 3.300 1.400 1.400 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.15400E-02 ppm1 7.674 ppm2 2.696 CV 1 ASSI { 1751} (( segid " " and resid 2449 and name H )) (( segid " " and resid 2448 and name HG3 )) 4.100 2.100 1.900 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.46266E-03 ppm1 8.506 ppm2 2.468 CV 1 OR { 1751} (( segid " " and resid 2449 and name H )) (( segid " " and resid 2448 and name HG2 )) ASSI { 1752} (( segid " " and resid 2449 and name H )) (( segid " " and resid 2448 and name HB2 )) 3.600 1.600 1.600 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.80240E-03 ppm1 8.504 ppm2 2.191 CV 1 OR { 1752} (( segid " " and resid 2449 and name H )) (( segid " " and resid 2448 and name HB3 )) ASSI { 1754} (( segid " " and resid 2451 and name H )) (( segid " " and resid 2452 and name H )) 3.100 1.200 1.200 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.13006E-02 ppm1 9.069 ppm2 8.930 CV 1 ASSI { 1757} (( segid " " and resid 2451 and name H )) (( segid " " and resid 2451 and name HA )) 2.800 1.000 1.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.28342E-02 ppm1 9.066 ppm2 4.111 CV 1 ASSI { 1759} (( segid " " and resid 2451 and name H )) (( segid " " and resid 2451 and name HB3 )) 3.000 1.100 1.100 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.20641E-02 ppm1 9.065 ppm2 2.190 CV 1 OR { 1759} (( segid " " and resid 2451 and name H )) (( segid " " and resid 2451 and name HB2 )) ASSI { 1760} (( segid " " and resid 2451 and name H )) ( segid " " and resid 2452 and name HB% ) 5.700 4.000 0.300 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.15853E-03 ppm1 9.059 ppm2 1.474 CV 1 ASSI { 1762} (( segid " " and resid 2452 and name H )) (( segid " " and resid 2454 and name H )) 3.900 1.900 1.900 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.73442E-03 ppm1 8.949 ppm2 8.339 CV 1 ASSI { 1763} (( segid " " and resid 2452 and name H )) (( segid " " and resid 2455 and name H )) 4.000 2.000 2.000 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.60501E-03 ppm1 8.937 ppm2 8.194 CV 1 ASSI { 1764} (( segid " " and resid 2452 and name H )) (( segid " " and resid 2453 and name H )) 2.600 0.900 0.900 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.33292E-02 ppm1 8.939 ppm2 7.891 CV 1 ASSI { 1765} (( segid " " and resid 2452 and name H )) (( segid " " and resid 2450 and name HA )) 4.000 2.000 2.000 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.11001E-02 ppm1 8.941 ppm2 4.563 CV 1 ASSI { 1768} (( segid " " and resid 2452 and name H )) (( segid " " and resid 2450 and name HB2 )) 4.400 2.500 1.600 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.66972E-03 ppm1 8.940 ppm2 4.040 CV 1 ASSI { 1770} (( segid " " and resid 2452 and name H )) (( segid " " and resid 2369 and name HG2 )) 4.000 2.000 2.000 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.83147E-03 ppm1 8.940 ppm2 2.463 CV 1 ASSI { 1771} (( segid " " and resid 2452 and name H )) (( segid " " and resid 2451 and name HB3 )) 3.000 1.100 1.100 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.22000E-02 ppm1 8.939 ppm2 2.184 CV 1 OR { 1771} (( segid " " and resid 2452 and name H )) (( segid " " and resid 2451 and name HB2 )) ASSI { 1772} (( segid " " and resid 2452 and name H )) (( segid " " and resid 2454 and name HB2 )) 4.000 2.000 2.000 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.56619E-03 ppm1 8.936 ppm2 1.990 CV 1 ASSI { 1774} (( segid " " and resid 2453 and name H )) (( segid " " and resid 2454 and name H )) 2.500 0.800 0.800 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.45360E-02 ppm1 7.899 ppm2 8.334 CV 1 ASSI { 1777} (( segid " " and resid 2453 and name H )) (( segid " " and resid 2453 and name HA )) 2.700 0.900 0.900 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.36721E-02 ppm1 7.897 ppm2 4.664 CV 1 ASSI { 1778} (( segid " " and resid 2453 and name H )) (( segid " " and resid 2450 and name HB3 )) 3.200 1.300 1.300 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.72470E-03 ppm1 7.894 ppm2 4.418 CV 1 ASSI { 1779} (( segid " " and resid 2453 and name H )) (( segid " " and resid 2452 and name HA )) 3.000 1.100 1.100 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.23327E-02 ppm1 7.899 ppm2 4.157 CV 1 ASSI { 1781} (( segid " " and resid 2453 and name H )) (( segid " " and resid 2453 and name HG2 )) 4.100 2.100 1.900 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.11453E-02 ppm1 7.899 ppm2 2.725 CV 1 OR { 1781} (( segid " " and resid 2453 and name H )) (( segid " " and resid 2453 and name HG3 )) ASSI { 1783} (( segid " " and resid 2453 and name H )) (( segid " " and resid 2454 and name HB2 )) 4.100 2.100 1.900 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.82825E-03 ppm1 7.900 ppm2 1.996 CV 1 ASSI { 1784} (( segid " " and resid 2453 and name H )) (( segid " " and resid 2454 and name HD2 )) 4.900 3.000 1.100 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.28795E-03 ppm1 7.903 ppm2 1.751 CV 1 OR { 1784} (( segid " " and resid 2453 and name H )) (( segid " " and resid 2454 and name HD3 )) ASSI { 1787} (( segid " " and resid 2454 and name H )) (( segid " " and resid 2455 and name H )) 2.500 0.800 0.800 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.42707E-02 ppm1 8.341 ppm2 8.189 CV 1 ASSI { 1790} (( segid " " and resid 2454 and name H )) (( segid " " and resid 2450 and name HB3 )) 3.900 1.900 1.900 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.94473E-03 ppm1 8.342 ppm2 4.413 CV 1 ASSI { 1791} (( segid " " and resid 2454 and name H )) (( segid " " and resid 2454 and name HE3 )) 4.700 2.700 1.300 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.28795E-03 ppm1 8.346 ppm2 3.039 CV 1 OR { 1791} (( segid " " and resid 2454 and name H )) (( segid " " and resid 2454 and name HE2 )) ASSI { 1792} (( segid " " and resid 2454 and name H )) (( segid " " and resid 2453 and name HG2 )) 4.200 2.200 1.800 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.71499E-03 ppm1 8.341 ppm2 2.751 CV 1 ASSI { 1794} (( segid " " and resid 2454 and name H )) (( segid " " and resid 2454 and name HB3 )) 2.900 1.000 1.000 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.55260E-02 ppm1 8.342 ppm2 2.078 CV 1 ASSI { 1796} (( segid " " and resid 2454 and name H )) (( segid " " and resid 2454 and name HD2 )) 3.000 1.100 1.100 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.24815E-02 ppm1 8.341 ppm2 1.744 CV 1 OR { 1796} (( segid " " and resid 2454 and name H )) (( segid " " and resid 2454 and name HD3 )) ASSI { 1798} (( segid " " and resid 2455 and name H )) (( segid " " and resid 2453 and name H )) 3.800 1.800 1.800 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.79269E-03 ppm1 8.188 ppm2 7.889 CV 1 ASSI { 1800} (( segid " " and resid 2455 and name H )) (( segid " " and resid 2457 and name H )) 4.300 2.300 1.700 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.41089E-03 ppm1 8.200 ppm2 8.589 CV 1 ASSI { 1801} (( segid " " and resid 2454 and name H )) (( segid " " and resid 2457 and name H )) 3.800 1.800 1.800 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.69557E-03 ppm1 8.337 ppm2 8.591 CV 1 ASSI { 1803} (( segid " " and resid 2455 and name H )) (( segid " " and resid 2455 and name HD3 )) 4.900 3.000 1.100 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.23294E-03 ppm1 8.188 ppm2 3.349 CV 1 OR { 1803} (( segid " " and resid 2455 and name H )) (( segid " " and resid 2455 and name HD2 )) ASSI { 1804} (( segid " " and resid 2455 and name H )) (( segid " " and resid 2455 and name HB3 )) 2.700 0.900 0.900 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.56230E-02 ppm1 8.195 ppm2 2.110 CV 1 ASSI { 1807} (( segid " " and resid 2456 and name H )) (( segid " " and resid 2455 and name HA )) 3.100 1.200 1.200 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.16468E-02 ppm1 8.217 ppm2 4.199 CV 1 ASSI { 1808} (( segid " " and resid 2456 and name H )) (( segid " " and resid 2453 and name HA )) 3.200 1.300 1.300 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.19412E-02 ppm1 8.219 ppm2 4.653 CV 1 ASSI { 1809} (( segid " " and resid 2456 and name H )) (( segid " " and resid 2456 and name HA )) 2.600 0.900 0.900 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.41348E-02 ppm1 8.215 ppm2 4.034 CV 1 ASSI { 1810} (( segid " " and resid 2456 and name H )) (( segid " " and resid 2456 and name HB3 )) 3.000 1.100 1.100 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.38113E-02 ppm1 8.220 ppm2 2.059 CV 1 ASSI { 1813} (( segid " " and resid 2456 and name H )) ( segid " " and resid 2456 and name HD1%) 6.000 4.600 0.000 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.11001E-03 ppm1 8.214 ppm2 1.038 CV 1 OR { 1813} (( segid " " and resid 2456 and name H )) ( segid " " and resid 2456 and name HD2%) ASSI { 1815} (( segid " " and resid 2457 and name H )) (( segid " " and resid 2456 and name H )) 2.500 0.800 0.800 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.43192E-02 ppm1 8.589 ppm2 8.205 CV 1 ASSI { 1816} (( segid " " and resid 2457 and name H )) (( segid " " and resid 2458 and name H )) 2.600 0.800 0.800 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.43062E-02 ppm1 8.590 ppm2 8.079 CV 1 ASSI { 1817} (( segid " " and resid 2457 and name H )) (( segid " " and resid 2460 and name H )) 4.300 2.300 1.700 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.40442E-03 ppm1 8.592 ppm2 8.977 CV 1 ASSI { 1819} (( segid " " and resid 2457 and name H )) (( segid " " and resid 2457 and name HA )) 2.400 0.700 0.700 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.61601E-02 ppm1 8.589 ppm2 4.025 CV 1 ASSI { 1820} (( segid " " and resid 2457 and name H )) (( segid " " and resid 2453 and name HA )) 3.400 1.500 1.500 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.13362E-02 ppm1 8.590 ppm2 4.657 CV 1 ASSI { 1822} (( segid " " and resid 2408 and name H )) (( segid " " and resid 2407 and name HB3 )) 2.200 0.600 0.600 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.71988E-02 ppm1 8.589 ppm2 2.270 CV 1 ASSI { 1825} (( segid " " and resid 2457 and name H )) ( segid " " and resid 2458 and name HB% ) 4.300 2.300 1.700 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.70207E-03 ppm1 8.589 ppm2 1.637 CV 1 ASSI { 1826} (( segid " " and resid 2408 and name H )) ( segid " " and resid 2407 and name HD2%) 5.100 3.200 0.900 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.14236E-03 ppm1 8.588 ppm2 1.045 CV 1 ASSI { 1830} (( segid " " and resid 2458 and name H )) (( segid " " and resid 2460 and name H )) 3.900 1.900 1.900 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.58883E-03 ppm1 8.085 ppm2 8.961 CV 1 ASSI { 1831} (( segid " " and resid 2458 and name H )) (( segid " " and resid 2459 and name H )) 2.500 0.800 0.800 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.47269E-02 ppm1 8.087 ppm2 8.200 CV 1 ASSI { 1832} (( segid " " and resid 2458 and name H )) (( segid " " and resid 2461 and name HD21)) 4.100 2.100 1.900 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.51442E-03 ppm1 8.091 ppm2 7.690 CV 1 ASSI { 1833} (( segid " " and resid 2458 and name H )) (( segid " " and resid 2458 and name HA )) 2.500 0.800 0.800 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.64092E-02 ppm1 8.088 ppm2 4.313 CV 1 ASSI { 1834} (( segid " " and resid 2458 and name H )) (( segid " " and resid 2455 and name HA )) 2.900 1.000 1.000 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.27080E-02 ppm1 8.088 ppm2 4.201 CV 1 ASSI { 1835} (( segid " " and resid 2458 and name H )) (( segid " " and resid 2457 and name HA )) 2.900 1.000 1.000 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.31836E-02 ppm1 8.088 ppm2 4.022 CV 1 ASSI { 1836} (( segid " " and resid 2458 and name H )) (( segid " " and resid 2457 and name HG2 )) 4.100 2.100 1.900 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.68592E-03 ppm1 8.086 ppm2 2.495 CV 1 OR { 1836} (( segid " " and resid 2458 and name H )) (( segid " " and resid 2457 and name HG3 )) ASSI { 1837} (( segid " " and resid 2458 and name H )) (( segid " " and resid 2457 and name HB2 )) 2.900 1.000 1.000 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.23327E-02 ppm1 8.088 ppm2 2.257 CV 1 OR { 1837} (( segid " " and resid 2458 and name H )) (( segid " " and resid 2457 and name HB3 )) ASSI { 1838} (( segid " " and resid 2458 and name H )) (( segid " " and resid 2456 and name HB3 )) 3.000 3.000 3.000 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.89945E-03 ppm1 8.089 ppm2 2.067 CV 1 ASSI { 1839} (( segid " " and resid 2458 and name H )) ( segid " " and resid 2458 and name HB% ) 2.600 0.800 0.800 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.50504E-02 ppm1 8.088 ppm2 1.636 CV 1 ASSI { 1840} (( segid " " and resid 2458 and name H )) ( segid " " and resid 2456 and name HD2%) 4.800 2.900 1.200 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.22324E-03 ppm1 8.093 ppm2 1.029 CV 1 ASSI { 1841} (( segid " " and resid 2458 and name H )) ( segid " " and resid 2439 and name HD2%) 5.100 3.300 0.900 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.18118E-03 ppm1 8.085 ppm2 0.914 CV 1 ASSI { 1842} (( segid " " and resid 2459 and name H )) (( segid " " and resid 2460 and name H )) 2.500 0.800 0.800 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.41671E-02 ppm1 8.199 ppm2 8.964 CV 1 ASSI { 1846} (( segid " " and resid 2459 and name H )) (( segid " " and resid 2458 and name HA )) 3.200 1.300 1.300 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.17827E-02 ppm1 8.199 ppm2 4.307 CV 1 ASSI { 1848} (( segid " " and resid 2459 and name H )) (( segid " " and resid 2460 and name HA3 )) 4.700 2.800 1.300 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.51765E-03 ppm1 8.198 ppm2 3.833 CV 1 ASSI { 1858} (( segid " " and resid 2460 and name H )) (( segid " " and resid 2461 and name HA )) 4.500 2.500 1.500 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.54354E-03 ppm1 8.972 ppm2 4.606 CV 1 ASSI { 1859} (( segid " " and resid 2460 and name H )) (( segid " " and resid 2459 and name HA )) 3.300 1.300 1.300 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.14236E-02 ppm1 8.972 ppm2 4.411 CV 1 ASSI { 1860} (( segid " " and resid 2460 and name H )) (( segid " " and resid 2458 and name HA )) 3.900 1.900 1.900 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.49824E-03 ppm1 8.971 ppm2 4.308 CV 1 ASSI { 1864} (( segid " " and resid 2460 and name H )) (( segid " " and resid 2461 and name HB3 )) 4.900 3.000 1.100 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.49824E-03 ppm1 8.979 ppm2 3.085 CV 1 ASSI { 1865} (( segid " " and resid 2460 and name H )) ( segid " " and resid 2459 and name HB% ) 3.000 1.100 1.100 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.14915E-02 ppm1 8.973 ppm2 1.630 CV 1 ASSI { 1868} (( segid " " and resid 2460 and name H )) ( segid " " and resid 2439 and name HD2%) 3.500 1.600 1.600 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.40119E-03 ppm1 8.973 ppm2 0.937 CV 1 ASSI { 1869} (( segid " " and resid 2460 and name H )) ( segid " " and resid 2462 and name HB% ) 4.600 2.600 1.400 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.22647E-03 ppm1 8.973 ppm2 1.717 CV 1 ASSI { 1870} (( segid " " and resid 2461 and name H )) (( segid " " and resid 2460 and name H )) 2.400 0.700 0.700 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.45910E-02 ppm1 8.522 ppm2 8.966 CV 1 ASSI { 1871} (( segid " " and resid 2461 and name H )) (( segid " " and resid 2459 and name H )) 3.400 1.400 1.400 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 8.521 ppm2 8.205 CV 1 ASSI { 1872} (( segid " " and resid 2461 and name H )) (( segid " " and resid 2458 and name H )) 3.900 1.900 1.900 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.51442E-03 ppm1 8.525 ppm2 8.093 CV 1 ASSI { 1876} (( segid " " and resid 2461 and name H )) (( segid " " and resid 2460 and name HA3 )) 2.600 0.800 0.800 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.27274E-02 ppm1 8.522 ppm2 3.829 CV 1 ASSI { 1878} (( segid " " and resid 2461 and name H )) (( segid " " and resid 2457 and name HA )) 3.100 1.200 1.200 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.19089E-02 ppm1 8.523 ppm2 4.024 CV 1 ASSI { 1879} (( segid " " and resid 2461 and name H )) (( segid " " and resid 2458 and name HA )) 2.900 1.100 1.100 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.28471E-02 ppm1 8.522 ppm2 4.302 CV 1 ASSI { 1880} (( segid " " and resid 2461 and name H )) (( segid " " and resid 2459 and name HA )) 3.500 1.600 1.600 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.97386E-03 ppm1 8.524 ppm2 4.411 CV 1 ASSI { 1881} (( segid " " and resid 2461 and name H )) (( segid " " and resid 2461 and name HA )) 2.500 0.800 0.800 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.58657E-02 ppm1 8.522 ppm2 4.606 CV 1 ASSI { 1882} (( segid " " and resid 2461 and name H )) ( segid " " and resid 2462 and name HB% ) 4.500 2.600 1.500 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.59530E-03 ppm1 8.521 ppm2 1.710 CV 1 ASSI { 1883} (( segid " " and resid 2461 and name H )) ( segid " " and resid 2359 and name HD1%) 4.600 2.600 1.400 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.38177E-03 ppm1 8.522 ppm2 1.009 CV 1 ASSI { 1884} (( segid " " and resid 2462 and name H )) ( segid " " and resid 2355 and name HB% ) 4.400 2.400 1.600 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.78619E-03 ppm1 7.992 ppm2 1.626 CV 1 ASSI { 1885} (( segid " " and resid 2465 and name H )) (( segid " " and resid 2463 and name H )) 3.600 1.600 1.600 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.88003E-03 ppm1 8.131 ppm2 8.256 CV 1 ASSI { 1886} (( segid " " and resid 2426 and name H )) (( segid " " and resid 2425 and name H )) 2.500 0.800 0.800 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.47204E-02 ppm1 8.586 ppm2 8.354 CV 1 ASSI { 1887} (( segid " " and resid 2426 and name H )) (( segid " " and resid 2427 and name H )) 2.600 0.800 0.800 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.43451E-02 ppm1 8.587 ppm2 8.165 CV 1 ASSI { 1889} (( segid " " and resid 2427 and name H )) (( segid " " and resid 2429 and name H )) 3.800 1.800 1.800 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.74413E-03 ppm1 8.168 ppm2 8.481 CV 1 ASSI { 1890} (( segid " " and resid 2427 and name H )) (( segid " " and resid 2428 and name H )) 2.600 0.900 0.900 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.37045E-02 ppm1 8.168 ppm2 8.263 CV 1 ASSI { 1891} (( segid " " and resid 2427 and name H )) (( segid " " and resid 2430 and name H )) 3.400 1.500 1.500 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 8.168 ppm2 8.348 CV 1 ASSI { 1892} (( segid " " and resid 2426 and name H )) (( segid " " and resid 2426 and name HA )) 2.400 0.700 0.700 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.75478E-02 ppm1 8.586 ppm2 4.240 CV 1 ASSI { 1893} (( segid " " and resid 2426 and name H )) (( segid " " and resid 2426 and name HB2 )) 2.600 0.800 0.800 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.49436E-02 ppm1 8.586 ppm2 4.095 CV 1 OR { 1893} (( segid " " and resid 2426 and name H )) (( segid " " and resid 2426 and name HB3 )) ASSI { 1894} (( segid " " and resid 2426 and name H )) (( segid " " and resid 2424 and name HA )) 3.600 1.700 1.700 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.83147E-03 ppm1 8.587 ppm2 3.970 CV 1 ASSI { 1901} (( segid " " and resid 2427 and name H )) (( segid " " and resid 2425 and name HA )) 3.700 1.700 1.700 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.70856E-03 ppm1 8.167 ppm2 3.644 CV 1 ASSI { 1902} (( segid " " and resid 2298 and name H )) (( segid " " and resid 2297 and name HG2 )) 3.200 1.300 1.300 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.14106E-02 ppm1 8.169 ppm2 2.002 CV 1 ASSI { 1903} (( segid " " and resid 2427 and name H )) ( segid " " and resid 2410 and name HB% ) 4.500 2.500 1.500 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.35589E-03 ppm1 8.168 ppm2 1.569 CV 1 ASSI { 1905} (( segid " " and resid 2425 and name H )) (( segid " " and resid 2424 and name H )) 2.700 0.900 0.900 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.26886E-02 ppm1 8.359 ppm2 8.200 CV 1 ASSI { 1906} (( segid " " and resid 2426 and name H )) (( segid " " and resid 2425 and name HG13)) 4.200 2.200 1.800 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.83147E-03 ppm1 8.585 ppm2 1.134 CV 1 ASSI { 1908} (( segid " " and resid 2426 and name H )) (( segid " " and resid 2425 and name HB )) 2.300 0.700 0.700 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.61893E-02 ppm1 8.587 ppm2 2.009 CV 1 ASSI { 1909} (( segid " " and resid 2426 and name H )) (( segid " " and resid 2429 and name HG3 )) 3.800 1.800 1.800 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.61472E-03 ppm1 8.585 ppm2 1.779 CV 1 ASSI { 1910} (( segid " " and resid 2426 and name H )) ( segid " " and resid 2428 and name HB% ) 4.900 3.000 1.100 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.20706E-03 ppm1 8.588 ppm2 1.690 CV 1 ASSI { 1911} (( segid " " and resid 2426 and name H )) ( segid " " and resid 2474 and name HB% ) 5.700 4.100 0.300 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.19089E-03 ppm1 8.587 ppm2 1.571 CV 1 ASSI { 1912} (( segid " " and resid 2425 and name H )) (( segid " " and resid 2423 and name HA )) 3.500 1.500 1.500 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.99329E-03 ppm1 8.360 ppm2 4.240 CV 1 ASSI { 1913} (( segid " " and resid 2425 and name H )) (( segid " " and resid 2422 and name HA )) 3.000 1.200 1.200 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.19509E-02 ppm1 8.361 ppm2 4.100 CV 1 ASSI { 1914} (( segid " " and resid 2425 and name H )) (( segid " " and resid 2424 and name HA )) 3.100 1.200 1.200 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.18053E-02 ppm1 8.360 ppm2 3.979 CV 1 ASSI { 1915} (( segid " " and resid 2425 and name H )) (( segid " " and resid 2425 and name HA )) 2.700 0.900 0.900 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.29474E-02 ppm1 8.362 ppm2 3.638 CV 1 ASSI { 1916} (( segid " " and resid 2425 and name H )) (( segid " " and resid 2425 and name HB )) 2.300 0.700 0.700 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.63025E-02 ppm1 8.361 ppm2 2.011 CV 1 ASSI { 1918} (( segid " " and resid 2425 and name H )) (( segid " " and resid 2425 and name HG12)) 3.100 1.200 1.200 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.11227E-02 ppm1 8.363 ppm2 1.132 CV 1 OR { 1918} (( segid " " and resid 2425 and name H )) (( segid " " and resid 2425 and name HG13)) ASSI { 1919} (( segid " " and resid 2425 and name H )) ( segid " " and resid 2425 and name HG2%) 4.100 2.100 1.900 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.10709E-02 ppm1 8.361 ppm2 1.037 CV 1 ASSI { 1920} (( segid " " and resid 2425 and name H )) ( segid " " and resid 2425 and name HD1%) 4.700 2.700 1.300 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.48530E-03 ppm1 8.360 ppm2 0.980 CV 1 OR { 1920} (( segid " " and resid 2425 and name H )) ( segid " " and resid 2425 and name HG2%) ASSI { 1922} (( segid " " and resid 2327 and name H )) (( segid " " and resid 2327 and name HA )) 3.000 1.100 1.100 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.17277E-02 ppm1 8.222 ppm2 4.777 CV 1 ASSI { 1924} (( segid " " and resid 2424 and name H )) ( segid " " and resid 2424 and name HD1%) 4.900 3.000 1.100 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.45295E-03 ppm1 8.211 ppm2 0.898 CV 1 ASSI { 1926} (( segid " " and resid 2446 and name H )) (( segid " " and resid 2445 and name H )) 2.500 0.800 0.800 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.32580E-02 ppm1 7.827 ppm2 7.124 CV 1 ASSI { 1933} (( segid " " and resid 2445 and name H )) (( segid " " and resid 2445 and name HB2 )) 4.200 2.200 1.800 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.11324E-03 ppm1 7.135 ppm2 1.494 CV 1 ASSI { 1935} (( segid " " and resid 2447 and name H )) (( segid " " and resid 2447 and name HA )) 2.400 0.700 0.700 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.74319E-02 ppm1 8.513 ppm2 4.684 CV 1 ASSI { 1936} (( segid " " and resid 2447 and name H )) (( segid " " and resid 2450 and name HB2 )) 3.500 1.500 1.500 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.58236E-03 ppm1 8.516 ppm2 4.037 CV 1 ASSI { 1937} (( segid " " and resid 2447 and name H )) (( segid " " and resid 2447 and name HB2 )) 2.800 1.000 1.000 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.29830E-02 ppm1 8.512 ppm2 2.773 CV 1 OR { 1937} (( segid " " and resid 2447 and name H )) (( segid " " and resid 2447 and name HB3 )) ASSI { 1938} (( segid " " and resid 2447 and name H )) ( segid " " and resid 2446 and name HB% ) 3.100 1.200 1.200 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.18635E-02 ppm1 8.512 ppm2 1.476 CV 1 ASSI { 1939} (( segid " " and resid 2447 and name H )) ( segid " " and resid 2370 and name HD2%) 4.700 2.800 1.300 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.21353E-03 ppm1 8.513 ppm2 0.838 CV 1 ASSI { 1941} (( segid " " and resid 2446 and name H )) (( segid " " and resid 2444 and name HA )) 3.900 1.900 1.900 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.68914E-03 ppm1 7.828 ppm2 4.008 CV 1 ASSI { 1943} (( segid " " and resid 2446 and name H )) (( segid " " and resid 2445 and name HB3 )) 3.400 1.400 1.400 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.13459E-02 ppm1 7.826 ppm2 1.122 CV 1 ASSI { 1944} (( segid " " and resid 2446 and name H )) ( segid " " and resid 2370 and name HD2%) 4.500 2.500 1.500 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.26207E-03 ppm1 7.828 ppm2 0.832 CV 1 OR { 1944} (( segid " " and resid 2446 and name H )) ( segid " " and resid 2370 and name HD1%) ASSI { 1945} (( segid " " and resid 2444 and name H )) (( segid " " and resid 2443 and name H )) 2.700 0.900 0.900 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.26821E-02 ppm1 7.623 ppm2 8.152 CV 1 ASSI { 1946} (( segid " " and resid 2444 and name H )) (( segid " " and resid 2442 and name H )) 3.600 1.600 1.600 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.88646E-03 ppm1 7.624 ppm2 7.996 CV 1 ASSI { 1948} (( segid " " and resid 2444 and name H )) (( segid " " and resid 2445 and name H )) 3.000 1.100 1.100 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.19800E-02 ppm1 7.622 ppm2 7.118 CV 1 ASSI { 1950} (( segid " " and resid 2444 and name H )) (( segid " " and resid 2443 and name HA )) 2.700 0.900 0.900 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.35330E-02 ppm1 7.623 ppm2 4.241 CV 1 ASSI { 1951} (( segid " " and resid 2444 and name H )) (( segid " " and resid 2441 and name HA )) 4.000 2.000 2.000 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.70528E-03 ppm1 7.624 ppm2 4.349 CV 1 ASSI { 1952} (( segid " " and resid 2444 and name H )) (( segid " " and resid 2442 and name HA )) 3.600 1.600 1.600 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.57589E-03 ppm1 7.622 ppm2 4.509 CV 1 ASSI { 1954} (( segid " " and resid 2444 and name H )) (( segid " " and resid 2442 and name HB3 )) 4.200 2.300 1.800 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.42060E-03 ppm1 7.628 ppm2 3.053 CV 1 ASSI { 1955} (( segid " " and resid 2444 and name H )) (( segid " " and resid 2444 and name HB )) 2.400 0.700 0.700 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.46395E-02 ppm1 7.623 ppm2 2.296 CV 1 ASSI { 1956} (( segid " " and resid 2444 and name H )) (( segid " " and resid 2443 and name HB2 )) 3.200 1.300 1.300 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.12359E-02 ppm1 7.623 ppm2 2.046 CV 1 OR { 1956} (( segid " " and resid 2444 and name H )) (( segid " " and resid 2443 and name HB3 )) ASSI { 1959} (( segid " " and resid 2444 and name H )) ( segid " " and resid 2446 and name HB% ) 5.100 3.300 0.900 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.10029E-03 ppm1 7.625 ppm2 1.500 CV 1 ASSI { 1960} (( segid " " and resid 2444 and name H )) ( segid " " and resid 2393 and name HD1%) 4.200 2.200 1.800 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.11648E-03 ppm1 7.618 ppm2 0.555 CV 1 ASSI { 1962} (( segid " " and resid 2443 and name H )) (( segid " " and resid 2443 and name HA )) 3.000 1.100 1.100 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.18635E-02 ppm1 8.163 ppm2 4.245 CV 1 ASSI { 1963} (( segid " " and resid 2443 and name H )) (( segid " " and resid 2442 and name HA )) 3.600 1.600 1.600 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.83475E-03 ppm1 8.162 ppm2 4.523 CV 1 ASSI { 1967} (( segid " " and resid 2443 and name H )) ( segid " " and resid 2439 and name HD2%) 4.900 2.900 1.100 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.16824E-03 ppm1 8.169 ppm2 0.910 CV 1 ASSI { 1968} (( segid " " and resid 2443 and name H )) (( segid " " and resid 2443 and name HG2 )) 4.300 2.300 1.700 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.70856E-03 ppm1 8.162 ppm2 1.567 CV 1 ASSI { 1971} (( segid " " and resid 2448 and name H )) (( segid " " and resid 2447 and name HB3 )) 4.200 2.300 1.800 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.40119E-03 ppm1 8.593 ppm2 2.778 CV 1 OR { 1971} (( segid " " and resid 2448 and name H )) (( segid " " and resid 2447 and name HB2 )) ASSI { 1972} (( segid " " and resid 2448 and name H )) (( segid " " and resid 2448 and name HG2 )) 3.700 1.700 1.700 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.86382E-03 ppm1 8.590 ppm2 2.469 CV 1 OR { 1972} (( segid " " and resid 2448 and name H )) (( segid " " and resid 2448 and name HG3 )) ASSI { 1975} (( segid " " and resid 2308 and name H )) (( segid " " and resid 2308 and name HB2 )) 2.600 0.800 0.800 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.27241E-02 ppm1 8.607 ppm2 2.201 CV 1 ASSI { 1976} (( segid " " and resid 2308 and name H )) (( segid " " and resid 2308 and name HB3 )) 3.600 1.700 1.700 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.20027E-02 ppm1 8.607 ppm2 2.083 CV 1 ASSI { 1977} (( segid " " and resid 2389 and name HE1 )) (( segid " " and resid 2442 and name HA )) 2.900 1.000 1.000 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.19671E-02 ppm1 10.363 ppm2 4.522 CV 1 ASSI { 1978} (( segid " " and resid 2389 and name HE1 )) (( segid " " and resid 2441 and name HA )) 3.600 1.600 1.600 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.84118E-03 ppm1 10.362 ppm2 4.347 CV 1 ASSI { 1979} (( segid " " and resid 2389 and name HE1 )) (( segid " " and resid 2389 and name HB2 )) 4.300 2.300 1.700 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.49501E-03 ppm1 10.360 ppm2 3.536 CV 1 ASSI { 1980} (( segid " " and resid 2389 and name HE1 )) (( segid " " and resid 2445 and name HE2 )) 5.100 3.300 0.900 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.26854E-03 ppm1 10.372 ppm2 2.554 CV 1 OR { 1980} (( segid " " and resid 2389 and name HE1 )) (( segid " " and resid 2445 and name HE3 )) ASSI { 1981} (( segid " " and resid 2389 and name HE1 )) (( segid " " and resid 2444 and name HB )) 2.800 1.000 1.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.15595E-02 ppm1 10.364 ppm2 2.293 CV 1 ASSI { 1982} (( segid " " and resid 2389 and name HE1 )) (( segid " " and resid 2445 and name HB2 )) 4.200 2.300 1.800 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.23941E-03 ppm1 10.363 ppm2 1.515 CV 1 ASSI { 1984} (( segid " " and resid 2389 and name HE1 )) ( segid " " and resid 2444 and name HG1%) 5.000 3.100 1.000 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.41089E-03 ppm1 10.366 ppm2 1.107 CV 1 ASSI { 1986} (( segid " " and resid 2389 and name HE1 )) (( segid " " and resid 2389 and name HH2 )) 4.300 2.300 1.700 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.61148E-03 ppm1 10.368 ppm2 7.088 CV 1 ASSI { 1987} (( segid " " and resid 2389 and name HE1 )) (( segid " " and resid 2444 and name H )) 3.900 1.900 1.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.56619E-03 ppm1 10.368 ppm2 7.617 CV 1 ASSI { 1988} (( segid " " and resid 2389 and name HE1 )) ( segid " " and resid 2393 and name HD1%) 4.500 2.500 1.500 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.20706E-03 ppm1 10.364 ppm2 0.589 CV 1 ASSI { 1989} (( segid " " and resid 2406 and name HD22)) (( segid " " and resid 2406 and name HA )) 4.200 2.300 1.800 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.63413E-03 ppm1 7.880 ppm2 4.536 CV 1 ASSI { 1990} (( segid " " and resid 2406 and name HD22)) (( segid " " and resid 2402 and name HA )) 3.200 1.300 1.300 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.14559E-02 ppm1 7.882 ppm2 4.284 CV 1 ASSI { 1992} (( segid " " and resid 2406 and name HD22)) (( segid " " and resid 2406 and name HB3 )) 3.800 1.800 1.800 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.15335E-02 ppm1 7.883 ppm2 2.972 CV 1 ASSI { 1993} (( segid " " and resid 2406 and name HD22)) ( segid " " and resid 2402 and name HB% ) 4.100 2.100 1.900 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.30089E-03 ppm1 7.881 ppm2 1.614 CV 1 ASSI { 1994} (( segid " " and resid 2406 and name HD22)) (( segid " " and resid 2406 and name HD21)) 1.800 0.400 0.400 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.18121E-01 ppm1 7.882 ppm2 6.913 CV 1 ASSI { 1995} (( segid " " and resid 2406 and name HD22)) (( segid " " and resid 2406 and name H )) 4.100 2.100 1.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.76355E-03 ppm1 7.885 ppm2 8.301 CV 1 ASSI { 1997} (( segid " " and resid 2469 and name HD22)) (( segid " " and resid 2469 and name HB2 )) 4.100 2.100 1.900 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.12909E-02 ppm1 7.813 ppm2 2.936 CV 1 ASSI { 1999} (( segid " " and resid 2469 and name HD22)) (( segid " " and resid 2469 and name HA )) 4.300 2.300 1.700 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.57913E-03 ppm1 7.816 ppm2 4.577 CV 1 ASSI { 2001} (( segid " " and resid 2469 and name HD22)) (( segid " " and resid 2469 and name HD21)) 1.800 0.400 0.400 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.15345E-01 ppm1 7.814 ppm2 6.854 CV 1 ASSI { 2003} (( segid " " and resid 2382 and name HD21)) ( segid " " and resid 2379 and name HG2%) 4.000 2.000 2.000 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.48854E-03 ppm1 7.709 ppm2 0.977 CV 1 ASSI { 2005} (( segid " " and resid 2382 and name HD21)) (( segid " " and resid 2382 and name HB3 )) 3.200 1.300 1.300 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.14721E-02 ppm1 7.707 ppm2 3.192 CV 1 ASSI { 2007} (( segid " " and resid 2382 and name HD21)) (( segid " " and resid 2382 and name HD22)) 1.700 0.400 0.500 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.25038E-01 ppm1 7.707 ppm2 6.923 CV 1 ASSI { 2008} (( segid " " and resid 2340 and name HD22)) (( segid " " and resid 2343 and name HB3 )) 5.600 3.900 0.400 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.87353E-04 ppm1 7.681 ppm2 2.257 CV 1 ASSI { 2009} (( segid " " and resid 2461 and name HD21)) ( segid " " and resid 2458 and name HB% ) 4.000 2.000 2.000 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.16824E-03 ppm1 7.679 ppm2 1.643 CV 1 ASSI { 2011} (( segid " " and resid 2461 and name HD21)) (( segid " " and resid 2458 and name HA )) 3.500 1.500 1.500 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.94151E-03 ppm1 7.682 ppm2 4.317 CV 1 ASSI { 2012} (( segid " " and resid 2461 and name HD21)) (( segid " " and resid 2461 and name HD22)) 2.100 0.600 0.600 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.65516E-02 ppm1 7.682 ppm2 7.061 CV 1 ASSI { 2013} (( segid " " and resid 2461 and name HD21)) (( segid " " and resid 2461 and name HB3 )) 3.100 1.200 1.200 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.29507E-02 ppm1 7.680 ppm2 3.072 CV 1 ASSI { 2014} (( segid " " and resid 2340 and name HD22)) (( segid " " and resid 2340 and name HD21)) 1.800 0.400 0.400 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.21493E-01 ppm1 7.677 ppm2 6.932 CV 1 ASSI { 2015} (( segid " " and resid 2461 and name HD21)) (( segid " " and resid 2461 and name H )) 4.500 2.600 1.500 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.52412E-03 ppm1 7.685 ppm2 8.518 CV 1 ASSI { 2018} (( segid " " and resid 2412 and name HD22)) (( segid " " and resid 2412 and name HD21)) 1.800 0.400 0.400 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.16083E-01 ppm1 7.640 ppm2 6.714 CV 1 ASSI { 2019} (( segid " " and resid 2307 and name HD21)) ( segid " " and resid 2304 and name HG2%) 3.600 1.600 1.600 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.86710E-03 ppm1 7.634 ppm2 1.024 CV 1 ASSI { 2022} (( segid " " and resid 2307 and name HD21)) (( segid " " and resid 2304 and name HA )) 3.300 1.400 1.400 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.76034E-03 ppm1 7.635 ppm2 4.057 CV 1 ASSI { 2023} (( segid " " and resid 2307 and name HD21)) (( segid " " and resid 2307 and name HD22)) 1.600 0.300 0.600 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.30694E-01 ppm1 7.636 ppm2 6.904 CV 1 ASSI { 2024} (( segid " " and resid 2307 and name HD21)) (( segid " " and resid 2307 and name H )) 3.600 1.600 1.600 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.67943E-03 ppm1 7.642 ppm2 8.247 CV 1 ASSI { 2025} (( segid " " and resid 2388 and name HE21)) (( segid " " and resid 2388 and name HG2 )) 3.400 1.500 1.500 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.84118E-03 ppm1 7.575 ppm2 2.649 CV 1 ASSI { 2026} (( segid " " and resid 2388 and name HE21)) (( segid " " and resid 2388 and name HG3 )) 3.300 1.400 1.400 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.88646E-03 ppm1 7.573 ppm2 2.518 CV 1 ASSI { 2028} (( segid " " and resid 2325 and name HE22)) (( segid " " and resid 2325 and name HE21)) 1.500 0.300 0.700 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.59284E-01 ppm1 7.513 ppm2 6.871 CV 1 ASSI { 2029} (( segid " " and resid 2325 and name HE22)) (( segid " " and resid 2322 and name HA )) 3.800 1.800 1.800 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.65031E-03 ppm1 7.512 ppm2 4.140 CV 1 ASSI { 2030} (( segid " " and resid 2325 and name HE22)) (( segid " " and resid 2325 and name HG3 )) 3.900 1.900 1.900 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.11906E-02 ppm1 7.514 ppm2 2.559 CV 1 ASSI { 2031} (( segid " " and resid 2405 and name HD22)) (( segid " " and resid 2405 and name HD21)) 2.200 0.600 0.600 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.58398E-02 ppm1 7.490 ppm2 6.755 CV 1 ASSI { 2032} (( segid " " and resid 2405 and name HD22)) (( segid " " and resid 2405 and name HB2 )) 4.900 3.000 1.100 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.32030E-03 ppm1 7.483 ppm2 2.969 CV 1 OR { 2032} (( segid " " and resid 2405 and name HD22)) (( segid " " and resid 2405 and name HB3 )) ASSI { 2033} (( segid " " and resid 2373 and name HE22)) (( segid " " and resid 2373 and name HE21)) 1.600 0.300 0.600 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.34894E-01 ppm1 7.441 ppm2 6.826 CV 1 ASSI { 2034} (( segid " " and resid 2373 and name HE22)) (( segid " " and resid 2373 and name HB3 )) 4.000 2.000 2.000 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.82825E-03 ppm1 7.437 ppm2 2.321 CV 1 ASSI { 2036} (( segid " " and resid 2430 and name HE22)) ( segid " " and resid 2433 and name HB% ) 3.500 1.500 1.500 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.39148E-03 ppm1 7.429 ppm2 1.627 CV 1 ASSI { 2037} (( segid " " and resid 2373 and name HE22)) (( segid " " and resid 2373 and name HG3 )) 3.500 1.500 1.500 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 7.435 ppm2 2.545 CV 1 ASSI { 2040} (( segid " " and resid 2430 and name HE22)) (( segid " " and resid 2430 and name HA )) 4.900 3.000 1.100 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.18765E-03 ppm1 7.427 ppm2 4.339 CV 1 ASSI { 2041} (( segid " " and resid 2373 and name HE22)) (( segid " " and resid 2373 and name HB2 )) 3.900 1.900 1.900 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.89617E-03 ppm1 7.425 ppm2 2.163 CV 1 ASSI { 2042} (( segid " " and resid 2437 and name HE22)) (( segid " " and resid 2437 and name HA )) 2.700 2.700 3.300 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.18539E-02 ppm1 7.418 ppm2 4.173 CV 1 ASSI { 2045} (( segid " " and resid 2457 and name HE22)) (( segid " " and resid 2457 and name HA )) 4.200 2.200 1.800 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.65354E-03 ppm1 7.400 ppm2 4.038 CV 1 ASSI { 2046} (( segid " " and resid 2457 and name HE22)) (( segid " " and resid 2457 and name HG3 )) 4.000 2.000 2.000 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.11421E-02 ppm1 7.395 ppm2 2.519 CV 1 OR { 2046} (( segid " " and resid 2457 and name HE22)) (( segid " " and resid 2457 and name HG2 )) ASSI { 2047} (( segid " " and resid 2457 and name HE22)) (( segid " " and resid 2457 and name HB3 )) 5.000 3.100 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.24913E-03 ppm1 7.394 ppm2 2.216 CV 1 OR { 2047} (( segid " " and resid 2457 and name HE22)) (( segid " " and resid 2457 and name HB2 )) ASSI { 2048} (( segid " " and resid 2416 and name HE22)) (( segid " " and resid 2416 and name HA )) 4.200 2.200 1.800 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.50471E-03 ppm1 7.330 ppm2 4.426 CV 1 ASSI { 2049} (( segid " " and resid 2416 and name HE22)) (( segid " " and resid 2416 and name HG2 )) 3.700 1.700 1.700 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 7.332 ppm2 2.615 CV 1 ASSI { 2050} (( segid " " and resid 2416 and name HE22)) (( segid " " and resid 2416 and name HG3 )) 4.500 2.500 1.500 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.57913E-03 ppm1 7.331 ppm2 2.434 CV 1 OR { 2050} (( segid " " and resid 2416 and name HE22)) (( segid " " and resid 2416 and name HB2 )) ASSI { 2051} (( segid " " and resid 2344 and name HE21)) (( segid " " and resid 2344 and name HE22)) 1.600 0.300 0.600 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.43930E-01 ppm1 7.301 ppm2 6.836 CV 1 ASSI { 2053} (( segid " " and resid 2475 and name HE22)) (( segid " " and resid 2472 and name HA )) 3.700 1.700 1.700 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.98358E-03 ppm1 7.273 ppm2 4.162 CV 1 ASSI { 2056} (( segid " " and resid 2475 and name HE22)) (( segid " " and resid 2475 and name HB2 )) 4.300 2.300 1.700 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.58883E-03 ppm1 7.275 ppm2 2.307 CV 1 ASSI { 2057} (( segid " " and resid 2475 and name HE22)) (( segid " " and resid 2475 and name HB3 )) 4.200 2.300 1.800 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.55648E-03 ppm1 7.276 ppm2 2.182 CV 1 ASSI { 2060} (( segid " " and resid 2421 and name HE22)) (( segid " " and resid 2421 and name HE21)) 1.700 0.400 0.500 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.26099E-01 ppm1 7.269 ppm2 6.940 CV 1 ASSI { 2061} (( segid " " and resid 2367 and name HE21)) (( segid " " and resid 2367 and name HE22)) 2.200 0.600 0.600 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.47689E-02 ppm1 7.263 ppm2 6.395 CV 1 ASSI { 2062} (( segid " " and resid 2367 and name HE21)) (( segid " " and resid 2367 and name HB2 )) 3.800 1.800 1.800 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.69557E-03 ppm1 7.263 ppm2 2.506 CV 1 ASSI { 2063} (( segid " " and resid 2367 and name HE21)) ( segid " " and resid 2305 and name HB% ) 5.700 4.000 0.300 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.17147E-03 ppm1 7.273 ppm2 1.460 CV 1 ASSI { 2064} (( segid " " and resid 2461 and name HD22)) (( segid " " and resid 2458 and name HA )) 3.200 3.200 2.800 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.64384E-03 ppm1 7.069 ppm2 4.308 CV 1 ASSI { 2065} (( segid " " and resid 2461 and name HD22)) (( segid " " and resid 2461 and name HB2 )) 4.200 2.200 1.800 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 7.068 ppm2 2.952 CV 1 ASSI { 2067} (( segid " " and resid 2461 and name HD22)) (( segid " " and resid 2457 and name HG2 )) 3.600 1.600 1.600 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.30089E-03 ppm1 7.068 ppm2 2.496 CV 1 OR { 2067} (( segid " " and resid 2461 and name HD22)) (( segid " " and resid 2457 and name HG3 )) ASSI { 2070} (( segid " " and resid 2340 and name HD21)) (( segid " " and resid 2343 and name HG3 )) 2.900 1.000 1.000 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.21256E-02 ppm1 6.948 ppm2 2.501 CV 1 ASSI { 2074} (( segid " " and resid 2382 and name HD22)) (( segid " " and resid 2379 and name HB )) 4.100 2.100 1.900 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.10353E-02 ppm1 6.933 ppm2 1.984 CV 1 ASSI { 2075} (( segid " " and resid 2382 and name HD22)) ( segid " " and resid 2379 and name HG2%) 3.300 3.300 2.700 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.48207E-03 ppm1 6.932 ppm2 0.982 CV 1 ASSI { 2076} (( segid " " and resid 2406 and name HD21)) ( segid " " and resid 2402 and name HB% ) 4.700 2.800 1.300 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.28471E-03 ppm1 6.921 ppm2 1.610 CV 1 ASSI { 2082} (( segid " " and resid 2307 and name HD22)) (( segid " " and resid 2304 and name HA )) 4.100 2.100 1.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.67943E-03 ppm1 6.922 ppm2 4.048 CV 1 ASSI { 2087} (( segid " " and resid 2388 and name HE22)) (( segid " " and resid 2388 and name HE21)) 1.600 0.300 0.600 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.47492E-01 ppm1 6.890 ppm2 7.570 CV 1 ASSI { 2088} (( segid " " and resid 2388 and name HE22)) (( segid " " and resid 2388 and name HG2 )) 4.100 2.100 1.900 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.85089E-03 ppm1 6.891 ppm2 2.640 CV 1 ASSI { 2090} (( segid " " and resid 2325 and name HE21)) (( segid " " and resid 2325 and name HG3 )) 3.500 1.600 1.600 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.77648E-03 ppm1 6.876 ppm2 2.577 CV 1 ASSI { 2091} (( segid " " and resid 2469 and name HD21)) ( segid " " and resid 2348 and name HB% ) 4.000 2.000 2.000 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.22647E-03 ppm1 6.862 ppm2 1.588 CV 1 ASSI { 2093} (( segid " " and resid 2469 and name HD21)) (( segid " " and resid 2469 and name HB2 )) 3.800 1.800 1.800 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.10838E-02 ppm1 6.865 ppm2 2.936 CV 1 ASSI { 2094} (( segid " " and resid 2469 and name HD21)) (( segid " " and resid 2348 and name HA )) 3.600 1.600 1.600 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 6.861 ppm2 4.374 CV 1 ASSI { 2097} (( segid " " and resid 2373 and name HE21)) (( segid " " and resid 2373 and name HG3 )) 3.100 1.200 1.200 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.12553E-02 ppm1 6.844 ppm2 2.566 CV 1 ASSI { 2098} (( segid " " and resid 2373 and name HE21)) (( segid " " and resid 2373 and name HB3 )) 4.000 2.000 2.000 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.49177E-03 ppm1 6.847 ppm2 2.344 CV 1 ASSI { 2099} (( segid " " and resid 2344 and name HE22)) (( segid " " and resid 2344 and name HG3 )) 3.800 1.800 1.800 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.13944E-02 ppm1 6.841 ppm2 2.449 CV 1 ASSI { 2101} (( segid " " and resid 2448 and name HE21)) (( segid " " and resid 2448 and name HE22)) 1.600 0.300 0.600 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.42982E-01 ppm1 6.842 ppm2 7.641 CV 1 ASSI { 2102} (( segid " " and resid 2448 and name HE21)) (( segid " " and resid 2448 and name HG3 )) 3.300 1.400 1.400 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.96087E-03 ppm1 6.843 ppm2 2.468 CV 1 OR { 2102} (( segid " " and resid 2448 and name HE21)) (( segid " " and resid 2448 and name HG2 )) ASSI { 2103} (( segid " " and resid 2430 and name HE21)) (( segid " " and resid 2430 and name HG2 )) 3.200 1.300 1.300 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.10029E-02 ppm1 6.817 ppm2 2.644 CV 1 ASSI { 2104} (( segid " " and resid 2430 and name HE21)) (( segid " " and resid 2430 and name HE22)) 1.600 0.300 0.600 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.33544E-01 ppm1 6.817 ppm2 7.414 CV 1 ASSI { 2105} (( segid " " and resid 2430 and name HE21)) ( segid " " and resid 2433 and name HB% ) 4.000 2.000 2.000 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.16824E-03 ppm1 6.818 ppm2 1.616 CV 1 ASSI { 2106} (( segid " " and resid 2457 and name HE21)) (( segid " " and resid 2457 and name HG3 )) 3.400 1.400 1.400 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.82825E-03 ppm1 6.802 ppm2 2.521 CV 1 OR { 2106} (( segid " " and resid 2457 and name HE21)) (( segid " " and resid 2457 and name HG2 )) ASSI { 2107} (( segid " " and resid 2457 and name HE21)) (( segid " " and resid 2457 and name HA )) 3.900 1.900 1.900 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.55325E-03 ppm1 6.804 ppm2 4.039 CV 1 ASSI { 2108} (( segid " " and resid 2457 and name HE21)) (( segid " " and resid 2457 and name HE22)) 1.600 0.300 0.600 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.43373E-01 ppm1 6.803 ppm2 7.387 CV 1 ASSI { 2111} (( segid " " and resid 2475 and name HE21)) (( segid " " and resid 2475 and name HG2 )) 2.700 0.900 0.900 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.29507E-02 ppm1 6.785 ppm2 2.441 CV 1 ASSI { 2113} (( segid " " and resid 2475 and name HE21)) (( segid " " and resid 2475 and name HB3 )) 3.800 1.900 1.900 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.89617E-03 ppm1 6.777 ppm2 2.170 CV 1 ASSI { 2114} (( segid " " and resid 2475 and name HE21)) ( segid " " and resid 2474 and name HB% ) 3.700 1.700 1.700 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.27177E-03 ppm1 6.783 ppm2 1.548 CV 1 ASSI { 2117} (( segid " " and resid 2475 and name HE21)) (( segid " " and resid 2475 and name HE22)) 1.600 0.300 0.600 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.33787E-01 ppm1 6.772 ppm2 7.266 CV 1 ASSI { 2119} (( segid " " and resid 2405 and name HD21)) (( segid " " and resid 2405 and name HB2 )) 3.900 1.900 1.900 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.31383E-03 ppm1 6.767 ppm2 2.959 CV 1 OR { 2119} (( segid " " and resid 2405 and name HD21)) (( segid " " and resid 2405 and name HB3 )) ASSI { 2120} (( segid " " and resid 2412 and name HD21)) (( segid " " and resid 2412 and name HB2 )) 3.100 1.200 1.200 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.11001E-02 ppm1 6.724 ppm2 3.030 CV 1 ASSI { 2125} (( segid " " and resid 2367 and name HE22)) ( segid " " and resid 2305 and name HB% ) 4.500 2.500 1.500 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.12942E-03 ppm1 6.403 ppm2 1.476 CV 1 ASSI { 2127} (( segid " " and resid 2367 and name HE22)) (( segid " " and resid 2367 and name HG2 )) 5.200 3.300 0.800 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.20383E-03 ppm1 6.413 ppm2 2.471 CV 1 OR { 2127} (( segid " " and resid 2367 and name HE22)) (( segid " " and resid 2367 and name HG3 )) OR { 2127} (( segid " " and resid 2367 and name HE22)) (( segid " " and resid 2367 and name HB2 )) ASSI { 2} (( segid " " and resid 2389 and name HE3 )) (( segid " " and resid 2386 and name HB2 )) 3.100 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.75699E-03 ppm1 7.724 ppm2 2.793 CV 1 ASSI { 5} (( segid " " and resid 2389 and name HE3 )) (( segid " " and resid 2445 and name HE3 )) 3.800 1.800 1.800 peak 5 spectrum 1 weight 0.10000E+01 volume 0.97286E-03 ppm1 7.725 ppm2 2.551 CV 1 ASSI { 6} (( segid " " and resid 2389 and name HD1 )) (( segid " " and resid 2445 and name HE2 )) 3.000 1.100 1.100 peak 6 spectrum 1 weight 0.10000E+01 volume 0.26432E-02 ppm1 7.454 ppm2 2.546 CV 1 ASSI { 7} (( segid " " and resid 2389 and name HE3 )) (( segid " " and resid 2367 and name HG2 )) 4.500 2.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.51926E-03 ppm1 7.724 ppm2 2.474 CV 1 ASSI { 8} (( segid " " and resid 2389 and name HZ2 )) (( segid " " and resid 2367 and name HG2 )) 4.000 2.000 2.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.80394E-03 ppm1 7.457 ppm2 2.477 CV 1 ASSI { 9} (( segid " " and resid 2389 and name HZ3 )) (( segid " " and resid 2367 and name HG2 )) 3.000 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.26026E-02 ppm1 7.140 ppm2 2.471 CV 1 ASSI { 10} (( segid " " and resid 2389 and name HH2 )) (( segid " " and resid 2367 and name HG2 )) 3.200 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.91338E-03 ppm1 7.054 ppm2 2.473 CV 1 OR { 10} (( segid " " and resid 2389 and name HH2 )) (( segid " " and resid 2367 and name HG3 )) ASSI { 11} ( segid " " and resid 2480 and name HE% ) (( segid " " and resid 2421 and name HG2 )) 3.700 1.700 1.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.25651E-03 ppm1 7.408 ppm2 2.432 CV 1 ASSI { 12} ( segid " " and resid 2341 and name HE% ) (( segid " " and resid 2421 and name HG3 )) 4.000 2.000 2.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.62562E-03 ppm1 7.347 ppm2 2.431 CV 1 ASSI { 15} ( segid " " and resid 2341 and name HD% ) (( segid " " and resid 2344 and name HB2 )) 3.000 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.18706E-02 ppm1 7.316 ppm2 2.342 CV 1 ASSI { 16} (( segid " " and resid 2389 and name HD1 )) (( segid " " and resid 2444 and name HB )) 2.300 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.73576E-02 ppm1 7.454 ppm2 2.306 CV 1 ASSI { 17} ( segid " " and resid 2480 and name HD% ) (( segid " " and resid 2475 and name HB3 )) 3.600 1.600 1.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.47234E-03 ppm1 7.345 ppm2 2.163 CV 1 ASSI { 18} ( segid " " and resid 2480 and name HE% ) (( segid " " and resid 2421 and name HB3 )) 4.300 2.300 1.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.26589E-03 ppm1 7.406 ppm2 2.148 CV 1 ASSI { 19} (( segid " " and resid 2389 and name HZ3 )) (( segid " " and resid 2367 and name HB3 )) 3.400 1.500 1.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.11386E-02 ppm1 7.141 ppm2 2.138 CV 1 ASSI { 21} ( segid " " and resid 2341 and name HE% ) (( segid " " and resid 2424 and name HB3 )) 4.900 3.000 1.100 peak 21 spectrum 1 weight 0.10000E+01 volume 0.28153E-03 ppm1 7.348 ppm2 2.062 CV 1 ASSI { 22} (( segid " " and resid 2389 and name HZ3 )) (( segid " " and resid 2376 and name HB )) 4.000 2.000 2.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.48798E-03 ppm1 7.141 ppm2 1.916 CV 1 ASSI { 23} ( segid " " and resid 2341 and name HD% ) (( segid " " and resid 2476 and name HB3 )) 3.700 1.700 1.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.11136E-02 ppm1 7.346 ppm2 1.903 CV 1 ASSI { 25} (( segid " " and resid 2341 and name HZ )) (( segid " " and resid 2424 and name HG )) 4.400 2.400 1.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.76951E-03 ppm1 7.182 ppm2 1.901 CV 1 ASSI { 26} ( segid " " and resid 2298 and name HE% ) (( segid " " and resid 2297 and name HG3 )) 4.900 3.000 1.100 peak 26 spectrum 1 weight 0.10000E+01 volume 0.25963E-03 ppm1 7.452 ppm2 1.807 CV 1 ASSI { 27} ( segid " " and resid 2298 and name HD% ) (( segid " " and resid 2297 and name HG3 )) 5.400 3.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.22209E-03 ppm1 7.396 ppm2 1.806 CV 1 ASSI { 28} ( segid " " and resid 2298 and name HD% ) (( segid " " and resid 2297 and name HB2 )) 4.600 2.700 1.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.17517E-03 ppm1 7.400 ppm2 1.713 CV 1 ASSI { 30} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2414 and name HB% ) 3.600 1.600 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.58183E-03 ppm1 7.346 ppm2 1.670 CV 1 ASSI { 36} (( segid " " and resid 2389 and name HH2 )) ( segid " " and resid 2366 and name HB% ) 4.500 2.500 1.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.27840E-03 ppm1 7.055 ppm2 1.577 CV 1 ASSI { 37} (( segid " " and resid 2389 and name HZ2 )) (( segid " " and resid 2445 and name HB2 )) 3.100 1.200 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.15077E-02 ppm1 7.454 ppm2 1.513 CV 1 OR { 37} (( segid " " and resid 2389 and name HD1 )) (( segid " " and resid 2445 and name HB2 )) ASSI { 38} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2419 and name HB% ) 3.400 1.400 1.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.92276E-03 ppm1 7.347 ppm2 1.509 CV 1 ASSI { 39} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2419 and name HB% ) 4.600 2.700 1.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.15015E-03 ppm1 7.317 ppm2 1.511 CV 1 OR { 39} ( segid " " and resid 2341 and name HD% ) ( segid " " and resid 2419 and name HB% ) ASSI { 43} ( segid " " and resid 2480 and name HD% ) ( segid " " and resid 2478 and name HB% ) 5.400 3.700 0.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.87587E-04 ppm1 7.349 ppm2 1.403 CV 1 OR { 43} (( segid " " and resid 2480 and name HZ )) ( segid " " and resid 2478 and name HB% ) ASSI { 44} ( segid " " and resid 2480 and name HE% ) ( segid " " and resid 2478 and name HB% ) 5.000 3.200 1.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.84460E-04 ppm1 7.406 ppm2 1.396 CV 1 ASSI { 45} (( segid " " and resid 2389 and name HE3 )) ( segid " " and resid 2302 and name HG2%) 4.200 2.200 1.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.28466E-03 ppm1 7.724 ppm2 1.333 CV 1 ASSI { 46} (( segid " " and resid 2389 and name HZ3 )) ( segid " " and resid 2302 and name HG2%) 4.000 2.000 2.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.36286E-03 ppm1 7.140 ppm2 1.338 CV 1 ASSI { 47} (( segid " " and resid 2389 and name HH2 )) (( segid " " and resid 2370 and name HB2 )) 3.300 1.300 1.300 peak 47 spectrum 1 weight 0.10000E+01 volume 0.11731E-02 ppm1 7.055 ppm2 1.338 CV 1 ASSI { 48} ( segid " " and resid 2480 and name HE% ) ( segid " " and resid 2479 and name HB% ) 3.900 1.900 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.19081E-03 ppm1 7.406 ppm2 1.321 CV 1 ASSI { 52} (( segid " " and resid 2389 and name HD1 )) (( segid " " and resid 2445 and name HD3 )) 2.200 0.600 0.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.73951E-02 ppm1 7.454 ppm2 1.291 CV 1 ASSI { 53} (( segid " " and resid 2389 and name HZ3 )) ( segid " " and resid 2371 and name HG1%) 3.300 1.400 1.400 peak 53 spectrum 1 weight 0.10000E+01 volume 0.49424E-03 ppm1 7.138 ppm2 1.157 CV 1 ASSI { 54} (( segid " " and resid 2389 and name HH2 )) ( segid " " and resid 2371 and name HG1%) 3.600 1.600 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.31906E-03 ppm1 7.053 ppm2 1.153 CV 1 ASSI { 55} (( segid " " and resid 2389 and name HD1 )) ( segid " " and resid 2444 and name HG1%) 2.800 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.32344E-02 ppm1 7.454 ppm2 1.106 CV 1 ASSI { 56} (( segid " " and resid 2389 and name HZ3 )) ( segid " " and resid 2371 and name HG2%) 4.300 2.300 1.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.22835E-03 ppm1 7.141 ppm2 1.093 CV 1 ASSI { 57} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2470 and name HD1%) 6.000 6.000 0.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.46922E-04 ppm1 7.316 ppm2 1.079 CV 1 ASSI { 59} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2424 and name HD2%) 3.700 1.700 1.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.90086E-03 ppm1 7.347 ppm2 1.000 CV 1 ASSI { 62} ( segid " " and resid 2341 and name HD% ) ( segid " " and resid 2339 and name HD2%) 4.300 2.300 1.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.10948E-03 ppm1 7.317 ppm2 0.921 CV 1 ASSI { 69} (( segid " " and resid 2389 and name HZ2 )) ( segid " " and resid 2370 and name HD2%) 3.100 1.200 1.200 peak 69 spectrum 1 weight 0.10000E+01 volume 0.20114E-02 ppm1 7.458 ppm2 0.826 CV 1 ASSI { 70} (( segid " " and resid 2389 and name HH2 )) ( segid " " and resid 2370 and name HD2%) 3.000 1.100 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.19707E-02 ppm1 7.054 ppm2 0.825 CV 1 ASSI { 71} (( segid " " and resid 2389 and name HE3 )) ( segid " " and resid 2376 and name HG2%) 3.600 1.600 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.76014E-03 ppm1 7.724 ppm2 0.808 CV 1 ASSI { 76} (( segid " " and resid 2389 and name HE3 )) ( segid " " and resid 2393 and name HD2%) 4.300 2.300 1.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.29717E-03 ppm1 7.724 ppm2 0.654 CV 1 ASSI { 77} (( segid " " and resid 2389 and name HZ2 )) ( segid " " and resid 2393 and name HD2%) 3.400 1.500 1.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.93843E-03 ppm1 7.458 ppm2 0.653 CV 1 ASSI { 84} ( segid " " and resid 2298 and name HE% ) (( segid " " and resid 2298 and name HA )) 3.100 3.100 2.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.74138E-03 ppm1 7.453 ppm2 4.700 CV 1 ASSI { 85} ( segid " " and resid 2298 and name HD% ) (( segid " " and resid 2298 and name HA )) 3.200 1.200 1.200 peak 85 spectrum 1 weight 0.10000E+01 volume 0.20301E-02 ppm1 7.398 ppm2 4.686 CV 1 ASSI { 86} (( segid " " and resid 2389 and name HZ2 )) (( segid " " and resid 2442 and name HA )) 2.100 0.600 0.600 peak 86 spectrum 1 weight 0.10000E+01 volume 0.12159E-01 ppm1 7.459 ppm2 4.521 CV 1 ASSI { 87} (( segid " " and resid 2389 and name HH2 )) (( segid " " and resid 2442 and name HA )) 4.100 2.100 1.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.12950E-02 ppm1 7.052 ppm2 4.522 CV 1 ASSI { 88} (( segid " " and resid 2389 and name HD1 )) (( segid " " and resid 2389 and name HA )) 2.100 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.14533E-01 ppm1 7.454 ppm2 4.435 CV 1 ASSI { 90} ( segid " " and resid 2341 and name HD% ) (( segid " " and resid 2341 and name HA )) 2.500 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.56900E-02 ppm1 7.315 ppm2 4.401 CV 1 ASSI { 92} ( segid " " and resid 2341 and name HE% ) (( segid " " and resid 2474 and name HA )) 2.500 0.800 0.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.34378E-02 ppm1 7.345 ppm2 4.236 CV 1 ASSI { 94} (( segid " " and resid 2389 and name HZ3 )) (( segid " " and resid 2367 and name HA )) 3.400 1.400 1.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.21678E-02 ppm1 7.139 ppm2 4.183 CV 1 ASSI { 95} (( segid " " and resid 2389 and name HH2 )) (( segid " " and resid 2367 and name HA )) 2.700 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.34346E-02 ppm1 7.055 ppm2 4.181 CV 1 ASSI { 96} (( segid " " and resid 2389 and name HZ2 )) (( segid " " and resid 2367 and name HA )) 3.800 1.800 1.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.12012E-02 ppm1 7.459 ppm2 4.180 CV 1 ASSI { 97} (( segid " " and resid 2389 and name HE3 )) (( segid " " and resid 2390 and name HA )) 3.300 1.300 1.300 peak 97 spectrum 1 weight 0.10000E+01 volume 0.12106E-02 ppm1 7.723 ppm2 3.809 CV 1 ASSI { 99} ( segid " " and resid 2341 and name HD% ) (( segid " " and resid 2342 and name HA )) 3.800 1.800 1.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.50988E-03 ppm1 7.315 ppm2 3.654 CV 1 OR { 99} ( segid " " and resid 2341 and name HE% ) (( segid " " and resid 2342 and name HA )) ASSI { 100} (( segid " " and resid 2389 and name HE3 )) (( segid " " and resid 2389 and name HB3 )) 2.300 0.700 0.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.63469E-02 ppm1 7.724 ppm2 3.637 CV 1 ASSI { 101} (( segid " " and resid 2389 and name HZ3 )) (( segid " " and resid 2389 and name HB3 )) 4.400 2.400 1.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.58183E-03 ppm1 7.139 ppm2 3.605 CV 1 ASSI { 102} (( segid " " and resid 2389 and name HE3 )) (( segid " " and resid 2389 and name HB2 )) 3.500 1.500 1.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.42667E-02 ppm1 7.724 ppm2 3.520 CV 1 ASSI { 103} (( segid " " and resid 2389 and name HD1 )) (( segid " " and resid 2389 and name HB2 )) 2.100 0.600 0.600 peak 103 spectrum 1 weight 0.10000E+01 volume 0.10357E-01 ppm1 7.454 ppm2 3.520 CV 1 ASSI { 105} ( segid " " and resid 2341 and name HD% ) (( segid " " and resid 2341 and name HB2 )) 2.500 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.59747E-02 ppm1 7.315 ppm2 3.104 CV 1 ASSI { 109} ( segid " " and resid 2341 and name HD% ) (( segid " " and resid 2341 and name HB3 )) 2.400 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.54867E-02 ppm1 7.315 ppm2 3.333 CV 1 ASSI { 110} (( segid " " and resid 2389 and name HE3 )) (( segid " " and resid 2389 and name HZ3 )) 2.100 0.500 0.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.16025E-01 ppm1 7.724 ppm2 7.141 CV 1 ASSI { 111} (( segid " " and resid 2389 and name HE3 )) (( segid " " and resid 2389 and name HH2 )) 3.500 1.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.22616E-02 ppm1 7.725 ppm2 7.054 CV 1 ASSI { 113} (( segid " " and resid 2389 and name HZ2 )) (( segid " " and resid 2389 and name HH2 )) 2.100 0.500 0.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.14274E-01 ppm1 7.461 ppm2 7.055 CV 1 ASSI { 114} (( segid " " and resid 2389 and name HZ3 )) (( segid " " and resid 2389 and name HH2 )) 2.000 0.500 0.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.17304E-01 ppm1 7.140 ppm2 7.056 CV 1 ASSI { 119} (( segid " " and resid 2389 and name HZ3 )) (( segid " " and resid 2389 and name HZ2 )) 3.300 1.300 1.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.33659E-02 ppm1 7.138 ppm2 7.460 CV 1 ASSI { 123} ( segid " " and resid 2298 and name HE% ) (( segid " " and resid 2298 and name HB3 )) 5.700 4.000 0.300 peak 123 spectrum 1 weight 0.10000E+01 volume 0.17830E-03 ppm1 7.450 ppm2 3.301 CV 1 ASSI { 124} ( segid " " and resid 2298 and name HE% ) (( segid " " and resid 2297 and name HD2 )) 4.100 2.100 1.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.34409E-03 ppm1 7.452 ppm2 3.819 CV 1 ASSI { 125} ( segid " " and resid 2298 and name HD% ) (( segid " " and resid 2297 and name HD2 )) 3.800 1.800 1.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.30655E-03 ppm1 7.399 ppm2 3.823 CV 1 ASSI { 126} ( segid " " and resid 2480 and name HE% ) (( segid " " and resid 2480 and name HB2 )) 5.000 3.100 1.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.40040E-03 ppm1 7.406 ppm2 3.087 CV 1 ASSI { 127} (( segid " " and resid 2341 and name HZ )) (( segid " " and resid 2419 and name HA )) 4.300 2.300 1.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.30030E-03 ppm1 7.185 ppm2 4.385 CV 1 ASSI { 128} (( segid " " and resid 2341 and name HZ )) (( segid " " and resid 2421 and name HG3 )) 3.700 1.700 1.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.47860E-03 ppm1 7.182 ppm2 2.432 CV 1 ASSI { 129} (( segid " " and resid 2418 and name HD2 )) (( segid " " and resid 2418 and name HB2 )) 4.400 2.500 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.21584E-03 ppm1 7.181 ppm2 3.332 CV 1 ASSI { 130} (( segid " " and resid 2341 and name HZ )) (( segid " " and resid 2421 and name HA )) 3.700 1.700 1.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.74138E-03 ppm1 7.183 ppm2 3.966 CV 1 ASSI { 131} (( segid " " and resid 2341 and name HZ )) (( segid " " and resid 2342 and name HA )) 4.600 2.600 1.400 peak 131 spectrum 1 weight 0.10000E+01 volume 0.28153E-03 ppm1 7.182 ppm2 3.681 CV 1 ASSI { 133} (( segid " " and resid 2389 and name HE3 )) (( segid " " and resid 2302 and name HA )) 4.200 2.300 1.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.32532E-03 ppm1 7.725 ppm2 4.185 CV 1 ASSI { 2} (( segid " " and resid 2389 and name HD1 )) (( segid " " and resid 2389 and name HB3 )) 3.100 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.47990E-02 ppm1 7.460 ppm2 3.631 CV 1 ASSI { 5} (( segid " " and resid 2389 and name HD1 )) ( segid " " and resid 2441 and name HB% ) 3.600 1.600 1.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.89483E-03 ppm1 7.457 ppm2 1.521 CV 1 ASSI { 11} (( segid " " and resid 2389 and name HZ2 )) (( segid " " and resid 2445 and name HB3 )) 3.600 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.12512E-02 ppm1 7.464 ppm2 1.137 CV 1 ASSI { 12} (( segid " " and resid 2389 and name HZ2 )) (( segid " " and resid 2442 and name HB2 )) 3.500 1.500 1.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.18927E-02 ppm1 7.465 ppm2 2.831 CV 1 ASSI { 13} (( segid " " and resid 2389 and name HZ2 )) ( segid " " and resid 2366 and name HB% ) 4.000 2.000 2.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.50682E-03 ppm1 7.464 ppm2 1.554 CV 1 ASSI { 28} ( segid " " and resid 2298 and name HE% ) (( segid " " and resid 2298 and name HB2 )) 4.700 2.800 1.300 peak 28 spectrum 1 weight 0.10000E+01 volume 0.59393E-03 ppm1 7.461 ppm2 3.187 CV 1 ASSI { 33} ( segid " " and resid 2341 and name HD% ) ( segid " " and resid 2473 and name HB% ) 3.700 1.700 1.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.54642E-03 ppm1 7.321 ppm2 1.581 CV 1 ASSI { 34} ( segid " " and resid 2341 and name HD% ) ( segid " " and resid 2477 and name HB% ) 4.100 2.100 1.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.34844E-03 ppm1 7.319 ppm2 1.304 CV 1 ASSI { 39} (( segid " " and resid 2341 and name HZ )) ( segid " " and resid 2341 and name HE% ) 1.900 0.400 0.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.22997E-01 ppm1 7.185 ppm2 7.347 CV 1 ASSI { 40} (( segid " " and resid 2341 and name HZ )) (( segid " " and resid 2474 and name HA )) 2.900 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.36903E-02 ppm1 7.184 ppm2 4.240 CV 1 ASSI { 41} (( segid " " and resid 2341 and name HZ )) ( segid " " and resid 2345 and name HD1%) 3.200 1.300 1.300 peak 41 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 7.181 ppm2 0.678 CV 1 ASSI { 42} (( segid " " and resid 2341 and name HZ )) ( segid " " and resid 2424 and name HD2%) 2.700 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.29063E-02 ppm1 7.186 ppm2 1.007 CV 1 ASSI { 43} (( segid " " and resid 2341 and name HZ )) ( segid " " and resid 2424 and name HD1%) 4.000 2.000 2.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.10691E-02 ppm1 7.183 ppm2 0.915 CV 1 ASSI { 44} (( segid " " and resid 2341 and name HZ )) ( segid " " and resid 2345 and name HG2%) 4.300 2.300 1.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.62561E-03 ppm1 7.191 ppm2 0.841 CV 1 ASSI { 46} (( segid " " and resid 2341 and name HZ )) ( segid " " and resid 2474 and name HB% ) 3.700 1.700 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.95819E-03 ppm1 7.183 ppm2 1.577 CV 1 ASSI { 47} (( segid " " and resid 2341 and name HZ )) ( segid " " and resid 2419 and name HB% ) 3.500 1.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.12670E-02 ppm1 7.182 ppm2 1.518 CV 1 ASSI { 48} (( segid " " and resid 2341 and name HZ )) ( segid " " and resid 2414 and name HB% ) 3.500 1.600 1.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10374E-02 ppm1 7.180 ppm2 1.677 CV 1 ASSI { 53} ( segid " " and resid 2341 and name HD% ) ( segid " " and resid 2345 and name HD1%) 5.000 3.100 1.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.14254E-03 ppm1 7.317 ppm2 0.663 CV 1 ASSI { 59} ( segid " " and resid 2341 and name HE% ) ( segid " " and resid 2345 and name HD1%) 3.200 1.300 1.300 peak 59 spectrum 1 weight 0.10000E+01 volume 0.82356E-03 ppm1 7.343 ppm2 0.679 CV 1 ASSI { 60} (( segid " " and resid 2389 and name HH2 )) (( segid " " and resid 2367 and name HB3 )) 3.300 1.300 1.300 peak 60 spectrum 1 weight 0.10000E+01 volume 0.23282E-02 ppm1 7.063 ppm2 2.135 CV 1 ASSI { 62} (( segid " " and resid 2389 and name HD1 )) (( segid " " and resid 2445 and name HD2 )) 3.500 1.500 1.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.21144E-02 ppm1 7.465 ppm2 0.988 CV 1 ASSI { 2} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2468 and name HA )) 3.600 1.600 1.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.23241E-02 ppm1 1.017 ppm2 4.477 CV 1 ASSI { 6} (( segid " " and resid 2385 and name HB2 )) (( segid " " and resid 2385 and name HA )) 2.400 0.700 0.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.92095E-02 ppm1 2.824 ppm2 4.633 CV 1 OR { 6} (( segid " " and resid 2385 and name HB3 )) (( segid " " and resid 2385 and name HA )) ASSI { 9} (( segid " " and resid 2469 and name HB3 )) (( segid " " and resid 2469 and name HA )) 2.700 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.73723E-02 ppm1 3.137 ppm2 4.591 CV 1 ASSI { 10} (( segid " " and resid 2472 and name HB3 )) (( segid " " and resid 2469 and name HA )) 2.600 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.42610E-02 ppm1 1.978 ppm2 4.591 CV 1 OR { 10} (( segid " " and resid 2472 and name HB2 )) (( segid " " and resid 2469 and name HA )) ASSI { 11} (( segid " " and resid 2464 and name HB3 )) (( segid " " and resid 2461 and name HA )) 2.400 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.52731E-02 ppm1 2.149 ppm2 4.596 CV 1 ASSI { 12} (( segid " " and resid 2464 and name HB2 )) (( segid " " and resid 2461 and name HA )) 2.900 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.53980E-02 ppm1 2.070 ppm2 4.601 CV 1 ASSI { 15} (( segid " " and resid 2482 and name HB3 )) (( segid " " and resid 2482 and name HA )) 2.400 0.700 0.700 peak 15 spectrum 1 weight 0.10000E+01 volume 0.94339E-02 ppm1 2.778 ppm2 4.486 CV 1 ASSI { 20} ( segid " " and resid 2330 and name HB% ) (( segid " " and resid 2329 and name HA )) 3.900 1.900 1.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 1.454 ppm2 4.361 CV 1 ASSI { 21} (( segid " " and resid 2325 and name HG3 )) (( segid " " and resid 2325 and name HA )) 2.500 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.12009E-01 ppm1 2.577 ppm2 4.362 CV 1 ASSI { 27} (( segid " " and resid 2332 and name HD3 )) (( segid " " and resid 2332 and name HA )) 2.700 0.900 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.46858E-02 ppm1 3.907 ppm2 4.509 CV 1 ASSI { 28} (( segid " " and resid 2328 and name HD3 )) (( segid " " and resid 2328 and name HA )) 2.800 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.36237E-02 ppm1 3.726 ppm2 4.515 CV 1 ASSI { 34} (( segid " " and resid 2328 and name HB3 )) (( segid " " and resid 2328 and name HA )) 1.900 0.400 0.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.24241E-01 ppm1 2.341 ppm2 4.521 CV 1 ASSI { 35} ( segid " " and resid 2402 and name HB% ) (( segid " " and resid 2399 and name HA )) 2.300 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.11258E-01 ppm1 1.622 ppm2 4.442 CV 1 ASSI { 36} (( segid " " and resid 2399 and name HG3 )) (( segid " " and resid 2399 and name HA )) 2.400 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.75471E-02 ppm1 2.885 ppm2 4.450 CV 1 ASSI { 37} (( segid " " and resid 2399 and name HG2 )) (( segid " " and resid 2399 and name HA )) 2.400 0.700 0.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.11033E-01 ppm1 2.762 ppm2 4.449 CV 1 ASSI { 42} ( segid " " and resid 2433 and name HB% ) (( segid " " and resid 2430 and name HA )) 2.300 0.700 0.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.10846E-01 ppm1 1.621 ppm2 4.377 CV 1 ASSI { 43} (( segid " " and resid 2430 and name HG2 )) (( segid " " and resid 2430 and name HA )) 2.400 0.700 0.700 peak 43 spectrum 1 weight 0.10000E+01 volume 0.73971E-02 ppm1 2.637 ppm2 4.366 CV 1 ASSI { 45} (( segid " " and resid 2298 and name HB3 )) (( segid " " and resid 2298 and name HA )) 2.000 0.500 0.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.19755E-01 ppm1 3.299 ppm2 4.697 CV 1 ASSI { 46} (( segid " " and resid 2298 and name HB2 )) (( segid " " and resid 2298 and name HA )) 2.400 0.700 0.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.13608E-01 ppm1 3.183 ppm2 4.700 CV 1 ASSI { 49} (( segid " " and resid 2456 and name HB3 )) (( segid " " and resid 2453 and name HA )) 2.700 0.900 0.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.49482E-02 ppm1 2.049 ppm2 4.642 CV 1 ASSI { 50} (( segid " " and resid 2453 and name HB3 )) (( segid " " and resid 2453 and name HA )) 2.600 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.44859E-02 ppm1 2.197 ppm2 4.646 CV 1 OR { 50} (( segid " " and resid 2453 and name HB2 )) (( segid " " and resid 2453 and name HA )) ASSI { 52} ( segid " " and resid 2310 and name HD2%) (( segid " " and resid 2307 and name HA )) 2.800 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.40735E-02 ppm1 1.033 ppm2 4.570 CV 1 ASSI { 53} (( segid " " and resid 2310 and name HB3 )) (( segid " " and resid 2307 and name HA )) 3.400 1.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.41485E-02 ppm1 2.011 ppm2 4.558 CV 1 ASSI { 54} (( segid " " and resid 2409 and name HG3 )) (( segid " " and resid 2406 and name HA )) 2.700 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.44234E-02 ppm1 2.528 ppm2 4.547 CV 1 ASSI { 55} (( segid " " and resid 2481 and name HB3 )) (( segid " " and resid 2481 and name HA )) 2.200 0.600 0.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.12858E-01 ppm1 2.176 ppm2 4.449 CV 1 ASSI { 60} ( segid " " and resid 2378 and name HB% ) (( segid " " and resid 2378 and name HA )) 2.100 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.16732E-01 ppm1 1.484 ppm2 4.537 CV 1 ASSI { 62} (( segid " " and resid 2480 and name HB3 )) (( segid " " and resid 2480 and name HA )) 2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.18968E-01 ppm1 3.322 ppm2 4.742 CV 1 ASSI { 63} (( segid " " and resid 2480 and name HB2 )) (( segid " " and resid 2480 and name HA )) 2.500 0.800 0.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.11271E-01 ppm1 3.082 ppm2 4.744 CV 1 ASSI { 64} (( segid " " and resid 2301 and name HD3 )) (( segid " " and resid 2379 and name HA )) 4.300 2.300 1.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.64977E-03 ppm1 4.081 ppm2 4.635 CV 1 ASSI { 65} (( segid " " and resid 2301 and name HD2 )) (( segid " " and resid 2379 and name HA )) 4.000 2.000 2.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.41235E-03 ppm1 3.895 ppm2 4.635 CV 1 ASSI { 66} (( segid " " and resid 2379 and name HG12)) (( segid " " and resid 2379 and name HA )) 2.600 0.800 0.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.45109E-02 ppm1 1.218 ppm2 4.637 CV 1 ASSI { 67} (( segid " " and resid 2379 and name HG13)) (( segid " " and resid 2379 and name HA )) 2.900 1.000 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.56854E-02 ppm1 1.604 ppm2 4.637 CV 1 ASSI { 68} (( segid " " and resid 2379 and name HB )) (( segid " " and resid 2379 and name HA )) 2.500 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.46983E-02 ppm1 1.976 ppm2 4.635 CV 1 ASSI { 73} (( segid " " and resid 2454 and name HE2 )) (( segid " " and resid 2449 and name HA )) 2.600 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.54481E-02 ppm1 3.033 ppm2 4.810 CV 1 OR { 73} (( segid " " and resid 2454 and name HE3 )) (( segid " " and resid 2449 and name HA )) ASSI { 74} (( segid " " and resid 2449 and name HB2 )) (( segid " " and resid 2449 and name HA )) 2.300 0.600 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.13883E-01 ppm1 2.663 ppm2 4.810 CV 1 ASSI { 78} (( segid " " and resid 2331 and name HG2 )) (( segid " " and resid 2331 and name HA )) 2.800 0.900 0.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.38861E-02 ppm1 1.558 ppm2 4.717 CV 1 OR { 78} (( segid " " and resid 2331 and name HG3 )) (( segid " " and resid 2331 and name HA )) ASSI { 79} (( segid " " and resid 2331 and name HB3 )) (( segid " " and resid 2331 and name HA )) 2.100 0.500 0.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.12171E-01 ppm1 1.916 ppm2 4.716 CV 1 ASSI { 80} (( segid " " and resid 2331 and name HB2 )) (( segid " " and resid 2331 and name HA )) 2.400 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10072E-01 ppm1 1.801 ppm2 4.719 CV 1 ASSI { 83} (( segid " " and resid 2327 and name HB2 )) (( segid " " and resid 2327 and name HA )) 2.200 0.600 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.91968E-02 ppm1 1.774 ppm2 4.777 CV 1 ASSI { 84} (( segid " " and resid 2386 and name HB2 )) (( segid " " and resid 2386 and name HA )) 2.600 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.59729E-02 ppm1 2.793 ppm2 4.709 CV 1 ASSI { 86} (( segid " " and resid 2382 and name HB2 )) (( segid " " and resid 2382 and name HA )) 2.600 0.800 0.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.64352E-02 ppm1 2.835 ppm2 4.988 CV 1 ASSI { 91} (( segid " " and resid 2300 and name HB3 )) (( segid " " and resid 2300 and name HA )) 2.300 0.600 0.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.77722E-02 ppm1 2.942 ppm2 4.955 CV 1 ASSI { 93} (( segid " " and resid 2296 and name HB3 )) (( segid " " and resid 2296 and name HA )) 2.100 0.600 0.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.11609E-01 ppm1 2.831 ppm2 4.972 CV 1 ASSI { 94} (( segid " " and resid 2296 and name HB2 )) (( segid " " and resid 2296 and name HA )) 2.300 0.600 0.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.15694E-01 ppm1 2.648 ppm2 4.971 CV 1 ASSI { 114} (( segid " " and resid 2416 and name HG3 )) (( segid " " and resid 2416 and name HA )) 2.700 0.900 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.99463E-02 ppm1 2.456 ppm2 4.455 CV 1 ASSI { 117} ( segid " " and resid 2339 and name HD2%) (( segid " " and resid 2339 and name HA )) 2.400 0.700 0.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.87721E-02 ppm1 0.930 ppm2 4.464 CV 1 ASSI { 119} ( segid " " and resid 2370 and name HD2%) (( segid " " and resid 2446 and name HA )) 3.200 1.300 1.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.12745E-02 ppm1 0.829 ppm2 4.439 CV 1 ASSI { 134} ( segid " " and resid 2354 and name HB% ) (( segid " " and resid 2351 and name HA )) 2.300 0.700 0.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.11171E-01 ppm1 1.605 ppm2 4.416 CV 1 ASSI { 136} ( segid " " and resid 2473 and name HB% ) (( segid " " and resid 2341 and name HA )) 2.900 1.100 1.100 peak 136 spectrum 1 weight 0.10000E+01 volume 0.26241E-02 ppm1 1.573 ppm2 4.406 CV 1 ASSI { 139} ( segid " " and resid 2304 and name HD1%) (( segid " " and resid 2299 and name HA )) 2.300 0.700 0.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.10609E-01 ppm1 0.898 ppm2 4.383 CV 1 ASSI { 141} ( segid " " and resid 2299 and name HG2%) (( segid " " and resid 2299 and name HA )) 2.500 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.10184E-01 ppm1 1.268 ppm2 4.373 CV 1 ASSI { 146} (( segid " " and resid 2430 and name HG3 )) (( segid " " and resid 2430 and name HA )) 2.800 1.000 1.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.67849E-02 ppm1 2.537 ppm2 4.367 CV 1 ASSI { 151} (( segid " " and resid 2384 and name HG )) (( segid " " and resid 2384 and name HA )) 3.200 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.45609E-02 ppm1 1.757 ppm2 4.382 CV 1 ASSI { 155} (( segid " " and resid 2384 and name HB2 )) (( segid " " and resid 2384 and name HA )) 2.200 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.10321E-01 ppm1 1.759 ppm2 4.377 CV 1 ASSI { 158} (( segid " " and resid 2334 and name HG3 )) (( segid " " and resid 2334 and name HA )) 2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.98967E-02 ppm1 2.373 ppm2 4.377 CV 1 OR { 158} (( segid " " and resid 2334 and name HG2 )) (( segid " " and resid 2334 and name HA )) ASSI { 168} (( segid " " and resid 2326 and name HB2 )) (( segid " " and resid 2326 and name HA )) 2.700 0.900 0.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.58729E-02 ppm1 1.516 ppm2 4.369 CV 1 ASSI { 171} ( segid " " and resid 2466 and name HB% ) (( segid " " and resid 2466 and name HA )) 2.300 0.600 0.600 peak 171 spectrum 1 weight 0.10000E+01 volume 0.93716E-02 ppm1 1.570 ppm2 4.371 CV 1 ASSI { 175} ( segid " " and resid 2335 and name HB% ) (( segid " " and resid 2335 and name HA )) 2.100 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.19755E-01 ppm1 1.504 ppm2 4.370 CV 1 ASSI { 176} ( segid " " and resid 2419 and name HB% ) (( segid " " and resid 2419 and name HA )) 2.400 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.77099E-02 ppm1 1.513 ppm2 4.379 CV 1 ASSI { 178} ( segid " " and resid 2330 and name HB% ) (( segid " " and resid 2330 and name HA )) 2.200 0.600 0.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.12445E-01 ppm1 1.456 ppm2 4.382 CV 1 ASSI { 179} (( segid " " and resid 2407 and name HB2 )) (( segid " " and resid 2407 and name HA )) 2.400 0.700 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.38986E-02 ppm1 1.720 ppm2 4.349 CV 1 ASSI { 180} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2407 and name HA )) 2.900 1.100 1.100 peak 180 spectrum 1 weight 0.10000E+01 volume 0.21242E-02 ppm1 1.087 ppm2 4.349 CV 1 ASSI { 190} ( segid " " and resid 2433 and name HB% ) (( segid " " and resid 2433 and name HA )) 2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.21442E-01 ppm1 1.622 ppm2 4.326 CV 1 ASSI { 191} ( segid " " and resid 2444 and name HG2%) (( segid " " and resid 2441 and name HA )) 2.700 0.900 0.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.33363E-02 ppm1 1.282 ppm2 4.344 CV 1 ASSI { 200} ( segid " " and resid 2295 and name HG2%) (( segid " " and resid 2295 and name HA )) 3.000 1.100 1.100 peak 200 spectrum 1 weight 0.10000E+01 volume 0.27365E-02 ppm1 0.965 ppm2 4.307 CV 1 ASSI { 201} ( segid " " and resid 2326 and name HD1%) (( segid " " and resid 2412 and name HA )) 2.800 1.000 1.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.30614E-02 ppm1 1.028 ppm2 4.300 CV 1 ASSI { 202} ( segid " " and resid 2326 and name HD2%) (( segid " " and resid 2412 and name HA )) 3.300 1.400 1.400 peak 202 spectrum 1 weight 0.10000E+01 volume 0.18118E-02 ppm1 0.960 ppm2 4.303 CV 1 ASSI { 206} (( segid " " and resid 2461 and name HB2 )) (( segid " " and resid 2458 and name HA )) 2.400 0.800 0.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.55855E-02 ppm1 2.956 ppm2 4.306 CV 1 ASSI { 207} (( segid " " and resid 2368 and name HB2 )) (( segid " " and resid 2365 and name HA )) 2.800 0.900 0.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.40486E-02 ppm1 2.037 ppm2 4.288 CV 1 ASSI { 211} ( segid " " and resid 2410 and name HB% ) (( segid " " and resid 2410 and name HA )) 2.200 0.600 0.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.13682E-01 ppm1 1.569 ppm2 4.302 CV 1 ASSI { 213} ( segid " " and resid 2381 and name HB% ) (( segid " " and resid 2381 and name HA )) 2.300 0.600 0.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.12183E-01 ppm1 1.500 ppm2 4.310 CV 1 ASSI { 215} (( segid " " and resid 2364 and name HB2 )) (( segid " " and resid 2364 and name HA )) 2.100 0.500 0.500 peak 215 spectrum 1 weight 0.10000E+01 volume 0.14695E-01 ppm1 4.105 ppm2 4.260 CV 1 ASSI { 219} (( segid " " and resid 2388 and name HG2 )) (( segid " " and resid 2388 and name HA )) 2.500 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.50607E-02 ppm1 2.650 ppm2 4.263 CV 1 ASSI { 223} ( segid " " and resid 2456 and name HD2%) (( segid " " and resid 2363 and name HA )) 3.000 1.100 1.100 peak 223 spectrum 1 weight 0.10000E+01 volume 0.23367E-02 ppm1 1.026 ppm2 4.260 CV 1 ASSI { 231} ( segid " " and resid 2299 and name HG2%) (( segid " " and resid 2299 and name HB )) 2.300 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.11209E-01 ppm1 1.268 ppm2 4.226 CV 1 ASSI { 238} ( segid " " and resid 2466 and name HB% ) (( segid " " and resid 2351 and name HB2 )) 3.800 1.800 1.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.17244E-02 ppm1 1.569 ppm2 4.234 CV 1 ASSI { 243} (( segid " " and resid 2455 and name HG2 )) (( segid " " and resid 2455 and name HA )) 2.700 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.49607E-02 ppm1 1.988 ppm2 4.216 CV 1 ASSI { 246} (( segid " " and resid 2455 and name HB3 )) (( segid " " and resid 2455 and name HA )) 2.600 0.800 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.50607E-02 ppm1 2.116 ppm2 4.226 CV 1 ASSI { 248} (( segid " " and resid 2465 and name HG2 )) (( segid " " and resid 2465 and name HA )) 2.800 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.50482E-02 ppm1 1.879 ppm2 4.219 CV 1 ASSI { 251} ( segid " " and resid 2372 and name HB% ) (( segid " " and resid 2369 and name HA )) 2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.73723E-02 ppm1 1.649 ppm2 4.242 CV 1 ASSI { 253} (( segid " " and resid 2465 and name HB2 )) (( segid " " and resid 2465 and name HA )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.46733E-02 ppm1 1.986 ppm2 4.216 CV 1 OR { 253} (( segid " " and resid 2465 and name HB3 )) (( segid " " and resid 2465 and name HA )) ASSI { 257} (( segid " " and resid 2454 and name HB2 )) (( segid " " and resid 2455 and name HA )) 2.700 2.700 3.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.69222E-02 ppm1 1.985 ppm2 4.217 CV 1 ASSI { 258} (( segid " " and resid 2423 and name HG3 )) (( segid " " and resid 2423 and name HA )) 2.900 1.000 1.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.48358E-02 ppm1 1.582 ppm2 4.240 CV 1 ASSI { 264} (( segid " " and resid 2326 and name HG )) (( segid " " and resid 2323 and name HA )) 2.600 0.800 0.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.38861E-02 ppm1 1.889 ppm2 4.222 CV 1 ASSI { 265} ( segid " " and resid 2323 and name HD2%) (( segid " " and resid 2323 and name HA )) 3.400 1.400 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.15869E-02 ppm1 0.966 ppm2 4.224 CV 1 ASSI { 266} ( segid " " and resid 2326 and name HD1%) (( segid " " and resid 2323 and name HA )) 2.700 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.31239E-02 ppm1 1.028 ppm2 4.227 CV 1 ASSI { 267} ( segid " " and resid 2326 and name HD2%) (( segid " " and resid 2323 and name HA )) 4.000 2.000 2.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 0.958 ppm2 4.237 CV 1 ASSI { 268} ( segid " " and resid 2323 and name HD1%) (( segid " " and resid 2323 and name HA )) 2.600 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.76476E-02 ppm1 0.932 ppm2 4.222 CV 1 ASSI { 270} (( segid " " and resid 2472 and name HD2 )) (( segid " " and resid 2473 and name HA )) 2.500 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.45733E-02 ppm1 1.710 ppm2 4.222 CV 1 ASSI { 271} (( segid " " and resid 2321 and name HE2 )) (( segid " " and resid 2318 and name HA )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.50482E-02 ppm1 3.048 ppm2 4.230 CV 1 OR { 271} (( segid " " and resid 2321 and name HE3 )) (( segid " " and resid 2318 and name HA )) ASSI { 280} (( segid " " and resid 2367 and name HG2 )) (( segid " " and resid 2367 and name HA )) 3.000 1.100 1.100 peak 280 spectrum 1 weight 0.10000E+01 volume 0.22617E-02 ppm1 2.475 ppm2 4.187 CV 1 OR { 280} (( segid " " and resid 2367 and name HG3 )) (( segid " " and resid 2367 and name HA )) ASSI { 281} (( segid " " and resid 2412 and name HB2 )) (( segid " " and resid 2409 and name HA )) 2.600 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.74721E-02 ppm1 3.030 ppm2 4.206 CV 1 ASSI { 284} (( segid " " and resid 2310 and name HG )) (( segid " " and resid 2310 and name HA )) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.41111E-02 ppm1 1.972 ppm2 4.182 CV 1 ASSI { 285} ( segid " " and resid 2310 and name HD2%) (( segid " " and resid 2310 and name HA )) 3.400 1.500 1.500 peak 285 spectrum 1 weight 0.10000E+01 volume 0.24491E-02 ppm1 1.033 ppm2 4.198 CV 1 ASSI { 289} ( segid " " and resid 2313 and name HB% ) (( segid " " and resid 2310 and name HA )) 2.400 0.700 0.700 peak 289 spectrum 1 weight 0.10000E+01 volume 0.64977E-02 ppm1 1.638 ppm2 4.198 CV 1 ASSI { 295} ( segid " " and resid 2419 and name HB% ) (( segid " " and resid 2414 and name HA )) 2.900 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.39486E-02 ppm1 1.515 ppm2 4.194 CV 1 ASSI { 296} (( segid " " and resid 2419 and name HA )) (( segid " " and resid 2414 and name HA )) 2.400 0.700 0.700 peak 296 spectrum 1 weight 0.10000E+01 volume 0.66477E-02 ppm1 4.383 ppm2 4.188 CV 1 ASSI { 298} ( segid " " and resid 2400 and name HG2%) (( segid " " and resid 2356 and name HB )) 3.000 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.29864E-02 ppm1 0.934 ppm2 4.138 CV 1 ASSI { 299} ( segid " " and resid 2310 and name HD1%) (( segid " " and resid 2364 and name HB3 )) 3.300 1.400 1.400 peak 299 spectrum 1 weight 0.10000E+01 volume 0.13995E-02 ppm1 0.983 ppm2 4.145 CV 1 ASSI { 300} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2364 and name HB3 )) 3.700 1.700 1.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.14245E-02 ppm1 1.115 ppm2 4.139 CV 1 ASSI { 301} ( segid " " and resid 2365 and name HB% ) (( segid " " and resid 2364 and name HB3 )) 3.600 1.600 1.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.12995E-02 ppm1 1.644 ppm2 4.140 CV 1 ASSI { 302} (( segid " " and resid 2395 and name HB3 )) (( segid " " and resid 2395 and name HA )) 2.500 0.800 0.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.64977E-02 ppm1 4.009 ppm2 4.157 CV 1 OR { 302} (( segid " " and resid 2395 and name HB2 )) (( segid " " and resid 2395 and name HA )) ASSI { 304} ( segid " " and resid 2397 and name HB% ) (( segid " " and resid 2395 and name HA )) 3.700 1.800 1.800 peak 304 spectrum 1 weight 0.10000E+01 volume 0.11871E-02 ppm1 1.504 ppm2 4.169 CV 1 ASSI { 318} ( segid " " and resid 2440 and name HG2%) (( segid " " and resid 2437 and name HA )) 3.000 1.100 1.100 peak 318 spectrum 1 weight 0.10000E+01 volume 0.28490E-02 ppm1 1.067 ppm2 4.148 CV 1 ASSI { 319} ( segid " " and resid 2436 and name HB% ) (( segid " " and resid 2437 and name HA )) 3.300 1.400 1.400 peak 319 spectrum 1 weight 0.10000E+01 volume 0.14870E-02 ppm1 1.653 ppm2 4.155 CV 1 ASSI { 321} (( segid " " and resid 2440 and name HB )) (( segid " " and resid 2437 and name HA )) 2.200 0.600 0.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.96341E-02 ppm1 2.243 ppm2 4.152 CV 1 ASSI { 329} ( segid " " and resid 2435 and name HG2%) (( segid " " and resid 2436 and name HA )) 3.000 1.100 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.20742E-02 ppm1 1.308 ppm2 4.141 CV 1 ASSI { 342} (( segid " " and resid 2429 and name HD3 )) (( segid " " and resid 2429 and name HA )) 3.700 1.800 1.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.23992E-02 ppm1 1.755 ppm2 4.108 CV 1 OR { 342} (( segid " " and resid 2429 and name HD2 )) (( segid " " and resid 2429 and name HA )) ASSI { 348} (( segid " " and resid 2344 and name HG3 )) (( segid " " and resid 2344 and name HA )) 2.600 0.800 0.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.11446E-01 ppm1 2.430 ppm2 4.112 CV 1 ASSI { 351} (( segid " " and resid 2350 and name HE2 )) (( segid " " and resid 2324 and name HA )) 2.500 0.800 0.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.48857E-02 ppm1 2.881 ppm2 4.124 CV 1 ASSI { 353} (( segid " " and resid 2324 and name HG3 )) (( segid " " and resid 2324 and name HA )) 2.600 0.800 0.800 peak 353 spectrum 1 weight 0.10000E+01 volume 0.96964E-02 ppm1 2.408 ppm2 4.122 CV 1 ASSI { 355} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2353 and name HA )) 3.000 1.100 1.100 peak 355 spectrum 1 weight 0.10000E+01 volume 0.22992E-02 ppm1 1.117 ppm2 4.130 CV 1 ASSI { 356} (( segid " " and resid 2301 and name HD2 )) (( segid " " and resid 2301 and name HD3 )) 3.400 3.400 2.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.31239E-03 ppm1 3.896 ppm2 4.082 CV 1 ASSI { 358} ( segid " " and resid 2379 and name HG2%) (( segid " " and resid 2301 and name HD3 )) 6.000 5.800 0.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.49982E-04 ppm1 1.002 ppm2 4.079 CV 1 ASSI { 359} (( segid " " and resid 2311 and name HA2 )) (( segid " " and resid 2311 and name HA3 )) 1.900 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.14120E-01 ppm1 3.995 ppm2 4.070 CV 1 ASSI { 362} ( segid " " and resid 2323 and name HD2%) (( segid " " and resid 2408 and name HA )) 3.300 1.400 1.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 0.966 ppm2 4.078 CV 1 ASSI { 369} ( segid " " and resid 2466 and name HB% ) (( segid " " and resid 2351 and name HB3 )) 2.700 0.900 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.21992E-02 ppm1 1.572 ppm2 4.080 CV 1 ASSI { 371} (( segid " " and resid 2423 and name HA )) (( segid " " and resid 2426 and name HB2 )) 3.000 1.100 1.100 peak 371 spectrum 1 weight 0.10000E+01 volume 0.21242E-02 ppm1 4.236 ppm2 4.085 CV 1 OR { 371} (( segid " " and resid 2423 and name HA )) (( segid " " and resid 2426 and name HB3 )) ASSI { 372} (( segid " " and resid 2361 and name HG2 )) (( segid " " and resid 2361 and name HA )) 2.400 0.700 0.700 peak 372 spectrum 1 weight 0.10000E+01 volume 0.52731E-02 ppm1 1.756 ppm2 4.082 CV 1 ASSI { 374} ( segid " " and resid 2310 and name HD1%) (( segid " " and resid 2361 and name HA )) 3.200 1.300 1.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.16244E-02 ppm1 0.983 ppm2 4.082 CV 1 ASSI { 375} (( segid " " and resid 2364 and name HB3 )) (( segid " " and resid 2361 and name HA )) 2.600 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.39736E-02 ppm1 4.171 ppm2 4.074 CV 1 ASSI { 379} ( segid " " and resid 2309 and name HD1%) (( segid " " and resid 2306 and name HA )) 2.900 1.000 1.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.24741E-02 ppm1 0.850 ppm2 4.072 CV 1 ASSI { 380} ( segid " " and resid 2348 and name HB% ) (( segid " " and resid 2344 and name HA )) 2.800 2.800 3.200 peak 380 spectrum 1 weight 0.10000E+01 volume 0.14370E-02 ppm1 1.628 ppm2 4.087 CV 1 ASSI { 385} (( segid " " and resid 2368 and name HB3 )) (( segid " " and resid 2368 and name HA )) 2.600 0.800 0.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.88592E-02 ppm1 2.091 ppm2 4.077 CV 1 ASSI { 388} (( segid " " and resid 2368 and name HG2 )) (( segid " " and resid 2368 and name HA )) 2.900 1.000 1.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.45609E-02 ppm1 1.961 ppm2 4.077 CV 1 ASSI { 389} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2317 and name HA )) 3.300 1.300 1.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 1.117 ppm2 4.086 CV 1 ASSI { 390} ( segid " " and resid 2320 and name HB% ) (( segid " " and resid 2317 and name HA )) 2.400 0.700 0.700 peak 390 spectrum 1 weight 0.10000E+01 volume 0.74600E-02 ppm1 1.573 ppm2 4.091 CV 1 ASSI { 392} (( segid " " and resid 2317 and name HG2 )) (( segid " " and resid 2317 and name HA )) 2.200 0.600 0.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.10284E-01 ppm1 2.337 ppm2 4.079 CV 1 ASSI { 394} ( segid " " and resid 2371 and name HG1%) (( segid " " and resid 2368 and name HA )) 3.400 1.400 1.400 peak 394 spectrum 1 weight 0.10000E+01 volume 0.26740E-02 ppm1 1.162 ppm2 4.078 CV 1 ASSI { 397} (( segid " " and resid 2371 and name HB )) (( segid " " and resid 2368 and name HA )) 2.400 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.56480E-02 ppm1 2.275 ppm2 4.074 CV 1 ASSI { 398} (( segid " " and resid 2470 and name HG )) (( segid " " and resid 2470 and name HA )) 2.300 0.700 0.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.67849E-02 ppm1 1.776 ppm2 4.085 CV 1 ASSI { 399} ( segid " " and resid 2470 and name HD1%) (( segid " " and resid 2470 and name HA )) 2.300 0.700 0.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.55855E-02 ppm1 1.068 ppm2 4.084 CV 1 ASSI { 401} ( segid " " and resid 2348 and name HB% ) (( segid " " and resid 2470 and name HA )) 3.400 1.500 1.500 peak 401 spectrum 1 weight 0.10000E+01 volume 0.27365E-02 ppm1 1.616 ppm2 4.070 CV 1 ASSI { 402} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2428 and name HA )) 3.100 1.200 1.200 peak 402 spectrum 1 weight 0.10000E+01 volume 0.18868E-02 ppm1 1.085 ppm2 4.066 CV 1 ASSI { 403} ( segid " " and resid 2360 and name HG1%) (( segid " " and resid 2313 and name HA )) 3.200 1.300 1.300 peak 403 spectrum 1 weight 0.10000E+01 volume 0.15619E-02 ppm1 1.115 ppm2 4.085 CV 1 OR { 403} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2313 and name HA )) ASSI { 404} ( segid " " and resid 2349 and name HB% ) (( segid " " and resid 2349 and name HA )) 2.500 0.800 0.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.62603E-02 ppm1 1.483 ppm2 4.065 CV 1 ASSI { 405} ( segid " " and resid 2313 and name HB% ) (( segid " " and resid 2313 and name HA )) 2.200 0.600 0.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.11808E-01 ppm1 1.641 ppm2 4.086 CV 1 ASSI { 412} ( segid " " and resid 2378 and name HB% ) (( segid " " and resid 2374 and name HA2 )) 2.800 1.000 1.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.22617E-02 ppm1 1.485 ppm2 4.033 CV 1 ASSI { 414} ( segid " " and resid 2371 and name HG2%) (( segid " " and resid 2371 and name HA )) 2.600 0.900 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.46983E-02 ppm1 1.094 ppm2 4.038 CV 1 ASSI { 421} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2309 and name HA )) 3.200 1.300 1.300 peak 421 spectrum 1 weight 0.10000E+01 volume 0.16369E-02 ppm1 1.114 ppm2 4.040 CV 1 ASSI { 422} ( segid " " and resid 2312 and name HB% ) (( segid " " and resid 2309 and name HA )) 2.800 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.35113E-02 ppm1 1.564 ppm2 4.042 CV 1 ASSI { 423} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2391 and name HA )) 3.900 1.900 1.900 peak 423 spectrum 1 weight 0.10000E+01 volume 0.16619E-02 ppm1 0.883 ppm2 4.046 CV 1 ASSI { 424} ( segid " " and resid 2394 and name HD1%) (( segid " " and resid 2391 and name HA )) 2.800 0.900 0.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.29489E-02 ppm1 0.859 ppm2 4.049 CV 1 ASSI { 433} ( segid " " and resid 2470 and name HD2%) (( segid " " and resid 2428 and name HA )) 3.500 1.500 1.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.17619E-02 ppm1 1.004 ppm2 4.051 CV 1 ASSI { 440} ( segid " " and resid 2314 and name HB% ) (( segid " " and resid 2311 and name HA2 )) 2.800 1.000 1.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.27990E-02 ppm1 1.638 ppm2 3.990 CV 1 ASSI { 442} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2356 and name HA )) 3.500 1.500 1.500 peak 442 spectrum 1 weight 0.10000E+01 volume 0.15120E-02 ppm1 1.150 ppm2 4.018 CV 1 ASSI { 445} (( segid " " and resid 2306 and name HB3 )) (( segid " " and resid 2303 and name HA )) 3.000 1.100 1.100 peak 445 spectrum 1 weight 0.10000E+01 volume 0.21867E-02 ppm1 2.231 ppm2 4.000 CV 1 OR { 445} (( segid " " and resid 2306 and name HB2 )) (( segid " " and resid 2303 and name HA )) ASSI { 450} ( segid " " and resid 2400 and name HG1%) (( segid " " and resid 2434 and name HB3 )) 3.400 1.400 1.400 peak 450 spectrum 1 weight 0.10000E+01 volume 0.11996E-02 ppm1 1.069 ppm2 4.004 CV 1 ASSI { 451} (( segid " " and resid 2421 and name HB3 )) (( segid " " and resid 2421 and name HA )) 2.400 0.700 0.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.56355E-02 ppm1 2.185 ppm2 3.993 CV 1 ASSI { 452} ( segid " " and resid 2424 and name HD2%) (( segid " " and resid 2421 and name HA )) 3.000 1.100 1.100 peak 452 spectrum 1 weight 0.10000E+01 volume 0.25616E-02 ppm1 1.000 ppm2 3.997 CV 1 ASSI { 456} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2457 and name HA )) 2.300 0.700 0.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.66477E-02 ppm1 0.919 ppm2 3.998 CV 1 ASSI { 458} ( segid " " and resid 2456 and name HD2%) (( segid " " and resid 2456 and name HA )) 2.600 0.900 0.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.46358E-02 ppm1 1.022 ppm2 4.023 CV 1 ASSI { 460} (( segid " " and resid 2456 and name HB3 )) (( segid " " and resid 2456 and name HA )) 3.000 1.100 1.100 peak 460 spectrum 1 weight 0.10000E+01 volume 0.25616E-02 ppm1 2.057 ppm2 4.014 CV 1 ASSI { 461} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2346 and name HA )) 3.200 1.300 1.300 peak 461 spectrum 1 weight 0.10000E+01 volume 0.12871E-02 ppm1 0.831 ppm2 4.010 CV 1 ASSI { 462} ( segid " " and resid 2346 and name HD1%) (( segid " " and resid 2346 and name HA )) 2.500 0.800 0.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.53231E-02 ppm1 1.050 ppm2 4.016 CV 1 ASSI { 464} ( segid " " and resid 2404 and name HG2%) (( segid " " and resid 2432 and name HA )) 4.200 2.300 1.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 1.370 ppm2 4.015 CV 1 ASSI { 466} ( segid " " and resid 2424 and name HD1%) (( segid " " and resid 2411 and name HA )) 2.700 0.900 0.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.34363E-02 ppm1 0.898 ppm2 4.010 CV 1 ASSI { 468} ( segid " " and resid 2305 and name HB% ) (( segid " " and resid 2305 and name HA )) 2.300 0.700 0.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.81472E-02 ppm1 1.468 ppm2 4.007 CV 1 ASSI { 471} ( segid " " and resid 2394 and name HD1%) (( segid " " and resid 2305 and name HA )) 2.800 1.000 1.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.25741E-02 ppm1 0.859 ppm2 4.005 CV 1 ASSI { 473} ( segid " " and resid 2323 and name HD1%) (( segid " " and resid 2320 and name HA )) 3.100 1.200 1.200 peak 473 spectrum 1 weight 0.10000E+01 volume 0.14495E-02 ppm1 0.931 ppm2 4.010 CV 1 ASSI { 483} (( segid " " and resid 2423 and name HD3 )) (( segid " " and resid 2420 and name HB3 )) 3.300 1.300 1.300 peak 483 spectrum 1 weight 0.10000E+01 volume 0.18244E-02 ppm1 1.806 ppm2 3.961 CV 1 OR { 483} (( segid " " and resid 2423 and name HD2 )) (( segid " " and resid 2420 and name HB3 )) ASSI { 485} (( segid " " and resid 2338 and name HA )) (( segid " " and resid 2338 and name HB2 )) 2.100 0.500 0.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.21430E-01 ppm1 4.446 ppm2 3.980 CV 1 OR { 485} (( segid " " and resid 2338 and name HA )) (( segid " " and resid 2338 and name HB3 )) ASSI { 489} ( segid " " and resid 2456 and name HD1%) (( segid " " and resid 2439 and name HA )) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.18493E-02 ppm1 1.063 ppm2 3.974 CV 1 ASSI { 492} ( segid " " and resid 2424 and name HD1%) (( segid " " and resid 2424 and name HA )) 2.400 0.700 0.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.71225E-02 ppm1 0.899 ppm2 3.972 CV 1 ASSI { 496} (( segid " " and resid 2297 and name HA )) (( segid " " and resid 2297 and name HD3 )) 2.800 1.000 1.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.47608E-02 ppm1 4.428 ppm2 3.943 CV 1 ASSI { 497} (( segid " " and resid 2392 and name HA3 )) (( segid " " and resid 2392 and name HA2 )) 1.900 0.400 0.400 peak 497 spectrum 1 weight 0.10000E+01 volume 0.16432E-01 ppm1 4.027 ppm2 3.939 CV 1 ASSI { 501} ( segid " " and resid 2432 and name HB% ) (( segid " " and resid 2464 and name HA )) 3.300 1.300 1.300 peak 501 spectrum 1 weight 0.10000E+01 volume 0.87467E-03 ppm1 1.659 ppm2 3.938 CV 1 ASSI { 505} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2397 and name HA )) 3.800 1.800 1.800 peak 505 spectrum 1 weight 0.10000E+01 volume 0.86221E-03 ppm1 1.116 ppm2 3.920 CV 1 OR { 505} ( segid " " and resid 2360 and name HG1%) (( segid " " and resid 2397 and name HA )) ASSI { 506} ( segid " " and resid 2400 and name HG1%) (( segid " " and resid 2397 and name HA )) 2.600 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.26866E-02 ppm1 1.069 ppm2 3.926 CV 1 ASSI { 507} ( segid " " and resid 2400 and name HG2%) (( segid " " and resid 2397 and name HA )) 3.200 1.300 1.300 peak 507 spectrum 1 weight 0.10000E+01 volume 0.13745E-02 ppm1 0.933 ppm2 3.925 CV 1 ASSI { 508} ( segid " " and resid 2477 and name HB% ) (( segid " " and resid 2477 and name HA )) 2.300 0.600 0.600 peak 508 spectrum 1 weight 0.10000E+01 volume 0.12009E-01 ppm1 1.296 ppm2 3.943 CV 1 ASSI { 512} ( segid " " and resid 2379 and name HG2%) (( segid " " and resid 2301 and name HD2 )) 5.800 4.200 0.200 peak 512 spectrum 1 weight 0.10000E+01 volume 0.11246E-03 ppm1 1.001 ppm2 3.892 CV 1 ASSI { 516} ( segid " " and resid 2323 and name HD2%) (( segid " " and resid 2350 and name HA )) 2.900 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.27490E-02 ppm1 0.966 ppm2 3.905 CV 1 ASSI { 520} (( segid " " and resid 2400 and name HB )) (( segid " " and resid 2397 and name HA )) 3.300 1.400 1.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.40610E-02 ppm1 2.295 ppm2 3.916 CV 1 ASSI { 525} ( segid " " and resid 2439 and name HD1%) (( segid " " and resid 2460 and name HA3 )) 2.600 0.800 0.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.25366E-02 ppm1 0.983 ppm2 3.824 CV 1 ASSI { 526} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2460 and name HA3 )) 2.800 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.14370E-02 ppm1 0.917 ppm2 3.834 CV 1 ASSI { 527} (( segid " " and resid 2393 and name HG )) (( segid " " and resid 2393 and name HA )) 2.800 0.900 0.900 peak 527 spectrum 1 weight 0.10000E+01 volume 0.38861E-02 ppm1 1.337 ppm2 3.824 CV 1 ASSI { 528} ( segid " " and resid 2393 and name HD2%) (( segid " " and resid 2393 and name HA )) 3.600 1.600 1.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.23367E-02 ppm1 0.662 ppm2 3.829 CV 1 ASSI { 530} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2393 and name HA )) 2.700 0.900 0.900 peak 530 spectrum 1 weight 0.10000E+01 volume 0.34363E-02 ppm1 0.584 ppm2 3.826 CV 1 ASSI { 531} (( segid " " and resid 2393 and name HB3 )) (( segid " " and resid 2393 and name HA )) 2.700 0.900 0.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.56854E-02 ppm1 1.505 ppm2 3.829 CV 1 ASSI { 542} (( segid " " and resid 2327 and name HB3 )) (( segid " " and resid 2328 and name HD2 )) 3.800 1.800 1.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.23241E-02 ppm1 1.892 ppm2 3.763 CV 1 OR { 542} (( segid " " and resid 2327 and name HB3 )) (( segid " " and resid 2328 and name HD3 )) ASSI { 551} ( segid " " and resid 2439 and name HD1%) (( segid " " and resid 2460 and name HA2 )) 2.900 1.100 1.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.17868E-02 ppm1 0.982 ppm2 3.698 CV 1 ASSI { 553} ( segid " " and resid 2359 and name HD1%) (( segid " " and resid 2460 and name HA2 )) 3.100 1.200 1.200 peak 553 spectrum 1 weight 0.10000E+01 volume 0.15120E-02 ppm1 1.029 ppm2 3.703 CV 1 ASSI { 556} ( segid " " and resid 2466 and name HB% ) (( segid " " and resid 2352 and name HA )) 3.100 1.200 1.200 peak 556 spectrum 1 weight 0.10000E+01 volume 0.28240E-02 ppm1 1.571 ppm2 3.708 CV 1 ASSI { 562} (( segid " " and resid 2345 and name HG13)) (( segid " " and resid 2345 and name HA )) 3.100 1.200 1.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.39986E-02 ppm1 1.295 ppm2 3.681 CV 1 ASSI { 563} (( segid " " and resid 2345 and name HG12)) (( segid " " and resid 2345 and name HA )) 2.700 0.900 0.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.40735E-02 ppm1 1.011 ppm2 3.679 CV 1 ASSI { 566} ( segid " " and resid 2348 and name HB% ) (( segid " " and resid 2345 and name HA )) 3.000 1.100 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.33238E-02 ppm1 1.617 ppm2 3.681 CV 1 ASSI { 570} ( segid " " and resid 2473 and name HB% ) (( segid " " and resid 2345 and name HA )) 2.900 2.900 3.100 peak 570 spectrum 1 weight 0.10000E+01 volume 0.13245E-02 ppm1 1.569 ppm2 3.683 CV 1 ASSI { 582} (( segid " " and resid 2393 and name HB3 )) (( segid " " and resid 2390 and name HB3 )) 3.500 1.500 1.500 peak 582 spectrum 1 weight 0.10000E+01 volume 0.19493E-02 ppm1 1.501 ppm2 3.611 CV 1 OR { 582} (( segid " " and resid 2393 and name HB3 )) (( segid " " and resid 2390 and name HB2 )) ASSI { 594} ( segid " " and resid 2413 and name HB% ) (( segid " " and resid 2418 and name HB2 )) 3.200 1.200 1.200 peak 594 spectrum 1 weight 0.10000E+01 volume 0.27615E-02 ppm1 1.604 ppm2 3.350 CV 1 ASSI { 611} (( segid " " and resid 2398 and name HG3 )) (( segid " " and resid 2398 and name HD2 )) 3.300 1.300 1.300 peak 611 spectrum 1 weight 0.10000E+01 volume 0.10746E-02 ppm1 1.733 ppm2 3.184 CV 1 OR { 611} (( segid " " and resid 2398 and name HG2 )) (( segid " " and resid 2398 and name HD3 )) OR { 611} (( segid " " and resid 2398 and name HG2 )) (( segid " " and resid 2398 and name HD2 )) OR { 611} (( segid " " and resid 2398 and name HG3 )) (( segid " " and resid 2398 and name HD3 )) ASSI { 612} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2398 and name HD3 )) 3.300 1.400 1.400 peak 612 spectrum 1 weight 0.10000E+01 volume 0.10871E-02 ppm1 0.883 ppm2 3.184 CV 1 OR { 612} ( segid " " and resid 2394 and name HG2%) (( segid " " and resid 2398 and name HD2 )) ASSI { 619} (( segid " " and resid 2327 and name HG2 )) (( segid " " and resid 2327 and name HE2 )) 3.400 1.500 1.500 peak 619 spectrum 1 weight 0.10000E+01 volume 0.11496E-02 ppm1 1.486 ppm2 3.092 CV 1 OR { 619} (( segid " " and resid 2327 and name HG2 )) (( segid " " and resid 2327 and name HE3 )) OR { 619} (( segid " " and resid 2327 and name HG3 )) (( segid " " and resid 2327 and name HE2 )) OR { 619} (( segid " " and resid 2327 and name HG3 )) (( segid " " and resid 2327 and name HE3 )) ASSI { 622} (( segid " " and resid 2458 and name HA )) (( segid " " and resid 2461 and name HB3 )) 2.600 0.900 0.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.65852E-02 ppm1 4.308 ppm2 3.085 CV 1 ASSI { 638} (( segid " " and resid 2451 and name HA )) (( segid " " and resid 2454 and name HE3 )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.21493E-02 ppm1 4.111 ppm2 3.019 CV 1 OR { 638} (( segid " " and resid 2451 and name HA )) (( segid " " and resid 2454 and name HE2 )) ASSI { 639} (( segid " " and resid 2412 and name HB3 )) (( segid " " and resid 2412 and name HB2 )) 1.700 0.300 0.500 peak 639 spectrum 1 weight 0.10000E+01 volume 0.25853E-01 ppm1 2.832 ppm2 3.025 CV 1 ASSI { 642} ( segid " " and resid 2323 and name HD1%) (( segid " " and resid 2408 and name HB2 )) 3.200 1.300 1.300 peak 642 spectrum 1 weight 0.10000E+01 volume 0.13370E-02 ppm1 0.932 ppm2 2.997 CV 1 ASSI { 645} (( segid " " and resid 2429 and name HG3 )) (( segid " " and resid 2429 and name HE2 )) 3.000 1.100 1.100 peak 645 spectrum 1 weight 0.10000E+01 volume 0.21242E-02 ppm1 1.817 ppm2 2.984 CV 1 OR { 645} (( segid " " and resid 2429 and name HG3 )) (( segid " " and resid 2429 and name HE3 )) ASSI { 646} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2429 and name HE2 )) 3.600 1.700 1.700 peak 646 spectrum 1 weight 0.10000E+01 volume 0.81218E-03 ppm1 1.228 ppm2 2.991 CV 1 OR { 646} ( segid " " and resid 2471 and name HG2%) (( segid " " and resid 2429 and name HE3 )) ASSI { 647} ( segid " " and resid 2313 and name HB% ) (( segid " " and resid 2361 and name HE2 )) 2.700 0.900 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.41735E-02 ppm1 1.639 ppm2 2.973 CV 1 ASSI { 652} (( segid " " and resid 2405 and name HA )) (( segid " " and resid 2405 and name HB2 )) 2.500 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.59978E-02 ppm1 4.371 ppm2 2.965 CV 1 OR { 652} (( segid " " and resid 2405 and name HA )) (( segid " " and resid 2405 and name HB3 )) ASSI { 653} (( segid " " and resid 2402 and name HA )) (( segid " " and resid 2405 and name HB3 )) 2.600 0.800 0.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.47983E-02 ppm1 4.254 ppm2 2.963 CV 1 OR { 653} (( segid " " and resid 2402 and name HA )) (( segid " " and resid 2405 and name HB2 )) ASSI { 659} (( segid " " and resid 2383 and name HA )) (( segid " " and resid 2386 and name HB3 )) 3.000 1.100 1.100 peak 659 spectrum 1 weight 0.10000E+01 volume 0.40860E-02 ppm1 4.329 ppm2 2.942 CV 1 ASSI { 660} ( segid " " and resid 2319 and name HB% ) (( segid " " and resid 2405 and name HB2 )) 3.400 1.400 1.400 peak 660 spectrum 1 weight 0.10000E+01 volume 0.12871E-02 ppm1 1.684 ppm2 2.952 CV 1 ASSI { 667} ( segid " " and resid 2346 and name HD1%) (( segid " " and resid 2350 and name HE3 )) 3.400 1.400 1.400 peak 667 spectrum 1 weight 0.10000E+01 volume 0.10996E-02 ppm1 1.050 ppm2 2.877 CV 1 OR { 667} ( segid " " and resid 2346 and name HD1%) (( segid " " and resid 2350 and name HE2 )) ASSI { 676} (( segid " " and resid 2297 and name HD3 )) (( segid " " and resid 2296 and name HB3 )) 3.600 1.600 1.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.37987E-02 ppm1 3.942 ppm2 2.804 CV 1 ASSI { 679} ( segid " " and resid 2303 and name HG2%) (( segid " " and resid 2300 and name HB2 )) 3.000 1.100 1.100 peak 679 spectrum 1 weight 0.10000E+01 volume 0.17619E-02 ppm1 1.114 ppm2 2.764 CV 1 ASSI { 681} (( segid " " and resid 2373 and name HB2 )) (( segid " " and resid 2373 and name HG2 )) 3.000 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.43484E-02 ppm1 2.175 ppm2 2.746 CV 1 ASSI { 684} (( segid " " and resid 2448 and name HA )) (( segid " " and resid 2453 and name HG2 )) 2.900 1.000 1.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.35862E-02 ppm1 4.190 ppm2 2.753 CV 1 ASSI { 690} (( segid " " and resid 2468 and name HB2 )) (( segid " " and resid 2468 and name HB3 )) 1.700 0.300 0.500 peak 690 spectrum 1 weight 0.10000E+01 volume 0.29164E-01 ppm1 2.980 ppm2 2.712 CV 1 ASSI { 692} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2475 and name HG3 )) 2.700 0.900 0.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.27990E-02 ppm1 1.017 ppm2 2.726 CV 1 ASSI { 696} (( segid " " and resid 2482 and name HA )) (( segid " " and resid 2482 and name HB2 )) 2.400 0.700 0.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.10084E-01 ppm1 4.477 ppm2 2.693 CV 1 ASSI { 698} (( segid " " and resid 2297 and name HD2 )) (( segid " " and resid 2296 and name HB2 )) 2.500 0.800 0.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.58104E-02 ppm1 3.824 ppm2 2.649 CV 1 ASSI { 704} (( segid " " and resid 2430 and name HB2 )) (( segid " " and resid 2430 and name HG2 )) 2.200 0.600 0.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.10996E-01 ppm1 2.449 ppm2 2.647 CV 1 ASSI { 715} (( segid " " and resid 2409 and name HB2 )) (( segid " " and resid 2409 and name HG3 )) 2.400 0.700 0.700 peak 715 spectrum 1 weight 0.10000E+01 volume 0.94091E-02 ppm1 2.225 ppm2 2.527 CV 1 OR { 715} (( segid " " and resid 2409 and name HB3 )) (( segid " " and resid 2409 and name HG3 )) ASSI { 717} (( segid " " and resid 2373 and name HB2 )) (( segid " " and resid 2373 and name HG3 )) 2.500 0.800 0.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.42859E-02 ppm1 2.167 ppm2 2.537 CV 1 ASSI { 719} ( segid " " and resid 2403 and name HB% ) (( segid " " and resid 2430 and name HG3 )) 3.800 1.800 1.800 peak 719 spectrum 1 weight 0.10000E+01 volume 0.97467E-03 ppm1 1.592 ppm2 2.529 CV 1 ASSI { 721} (( segid " " and resid 2437 and name HA )) (( segid " " and resid 2437 and name HG3 )) 2.700 0.900 0.900 peak 721 spectrum 1 weight 0.10000E+01 volume 0.42485E-02 ppm1 4.156 ppm2 2.533 CV 1 OR { 721} (( segid " " and resid 2437 and name HA )) (( segid " " and resid 2437 and name HG2 )) ASSI { 724} (( segid " " and resid 2367 and name HG3 )) (( segid " " and resid 2367 and name HB2 )) 2.900 1.000 1.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.22992E-02 ppm1 2.477 ppm2 2.509 CV 1 OR { 724} (( segid " " and resid 2367 and name HG2 )) (( segid " " and resid 2367 and name HB2 )) ASSI { 725} (( segid " " and resid 2343 and name HG2 )) (( segid " " and resid 2343 and name HG3 )) 1.500 0.300 0.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.47633E-01 ppm1 2.335 ppm2 2.518 CV 1 ASSI { 729} (( segid " " and resid 2324 and name HG3 )) (( segid " " and resid 2324 and name HG2 )) 1.200 0.200 1.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.14982E+00 ppm1 2.416 ppm2 2.509 CV 1 ASSI { 734} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2457 and name HG3 )) 4.000 2.000 2.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.87467E-03 ppm1 0.918 ppm2 2.495 CV 1 OR { 734} ( segid " " and resid 2439 and name HD2%) (( segid " " and resid 2457 and name HG2 )) ASSI { 736} (( segid " " and resid 2388 and name HA )) (( segid " " and resid 2388 and name HG3 )) 2.600 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.10021E-01 ppm1 4.262 ppm2 2.512 CV 1 ASSI { 737} (( segid " " and resid 2430 and name HB3 )) (( segid " " and resid 2430 and name HB2 )) 1.700 0.300 0.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.22554E-01 ppm1 2.330 ppm2 2.452 CV 1 ASSI { 739} (( segid " " and resid 2430 and name HG3 )) (( segid " " and resid 2430 and name HB2 )) 2.200 0.600 0.600 peak 739 spectrum 1 weight 0.10000E+01 volume 0.12371E-01 ppm1 2.540 ppm2 2.448 CV 1 ASSI { 746} (( segid " " and resid 2448 and name HB2 )) (( segid " " and resid 2448 and name HG3 )) 2.700 0.900 0.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.40486E-02 ppm1 2.139 ppm2 2.470 CV 1 OR { 746} (( segid " " and resid 2448 and name HB3 )) (( segid " " and resid 2448 and name HG2 )) OR { 746} (( segid " " and resid 2448 and name HB3 )) (( segid " " and resid 2448 and name HG3 )) OR { 746} (( segid " " and resid 2448 and name HB2 )) (( segid " " and resid 2448 and name HG2 )) ASSI { 749} (( segid " " and resid 2448 and name HA )) (( segid " " and resid 2448 and name HG2 )) 2.700 0.900 0.900 peak 749 spectrum 1 weight 0.10000E+01 volume 0.43484E-02 ppm1 4.192 ppm2 2.466 CV 1 OR { 749} (( segid " " and resid 2448 and name HA )) (( segid " " and resid 2448 and name HG3 )) ASSI { 760} (( segid " " and resid 2416 and name HG3 )) (( segid " " and resid 2416 and name HB2 )) 2.300 0.600 0.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.85344E-02 ppm1 2.455 ppm2 2.413 CV 1 ASSI { 763} ( segid " " and resid 2310 and name HD2%) (( segid " " and resid 2306 and name HG2 )) 3.000 1.100 1.100 peak 763 spectrum 1 weight 0.10000E+01 volume 0.10246E-02 ppm1 1.033 ppm2 2.424 CV 1 OR { 763} ( segid " " and resid 2310 and name HD2%) (( segid " " and resid 2306 and name HG3 )) ASSI { 767} ( segid " " and resid 2478 and name HB% ) (( segid " " and resid 2421 and name HG2 )) 3.600 1.600 1.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.68726E-03 ppm1 1.418 ppm2 2.434 CV 1 OR { 767} ( segid " " and resid 2478 and name HB% ) (( segid " " and resid 2421 and name HG3 )) ASSI { 769} (( segid " " and resid 2421 and name HA )) (( segid " " and resid 2421 and name HG3 )) 2.700 0.900 0.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.38611E-02 ppm1 3.992 ppm2 2.433 CV 1 OR { 769} (( segid " " and resid 2421 and name HA )) (( segid " " and resid 2421 and name HG2 )) ASSI { 771} (( segid " " and resid 2332 and name HD3 )) (( segid " " and resid 2332 and name HB3 )) 2.500 0.800 0.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.51731E-02 ppm1 3.907 ppm2 2.417 CV 1 ASSI { 781} (( segid " " and resid 2416 and name HG2 )) (( segid " " and resid 2416 and name HB2 )) 2.300 0.700 0.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.78224E-02 ppm1 2.640 ppm2 2.405 CV 1 ASSI { 783} ( segid " " and resid 2359 and name HD1%) (( segid " " and resid 2359 and name HB2 )) 3.100 1.200 1.200 peak 783 spectrum 1 weight 0.10000E+01 volume 0.13745E-02 ppm1 1.030 ppm2 2.384 CV 1 ASSI { 784} (( segid " " and resid 2337 and name HB2 )) (( segid " " and resid 2337 and name HG2 )) 2.200 0.600 0.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.13670E-01 ppm1 2.087 ppm2 2.385 CV 1 OR { 784} (( segid " " and resid 2337 and name HB2 )) (( segid " " and resid 2337 and name HG3 )) ASSI { 787} (( segid " " and resid 2337 and name HA )) (( segid " " and resid 2337 and name HG3 )) 2.600 0.800 0.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.65852E-02 ppm1 4.358 ppm2 2.381 CV 1 OR { 787} (( segid " " and resid 2337 and name HA )) (( segid " " and resid 2337 and name HG2 )) ASSI { 796} (( segid " " and resid 2325 and name HG3 )) (( segid " " and resid 2325 and name HB3 )) 2.400 0.700 0.700 peak 796 spectrum 1 weight 0.10000E+01 volume 0.17694E-01 ppm1 2.584 ppm2 2.348 CV 1 ASSI { 803} (( segid " " and resid 2334 and name HB2 )) (( segid " " and resid 2334 and name HG2 )) 2.300 0.600 0.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.13083E-01 ppm1 2.042 ppm2 2.365 CV 1 OR { 803} (( segid " " and resid 2334 and name HB2 )) (( segid " " and resid 2334 and name HG3 )) ASSI { 812} (( segid " " and resid 2344 and name HA )) (( segid " " and resid 2344 and name HB2 )) 2.800 1.000 1.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.57605E-02 ppm1 4.112 ppm2 2.320 CV 1 ASSI { 828} ( segid " " and resid 2303 and name HG1%) (( segid " " and resid 2303 and name HB )) 2.300 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.82222E-02 ppm1 1.026 ppm2 2.318 CV 1 ASSI { 834} ( segid " " and resid 2407 and name HD2%) (( segid " " and resid 2407 and name HB3 )) 3.100 1.200 1.200 peak 834 spectrum 1 weight 0.10000E+01 volume 0.14245E-02 ppm1 1.055 ppm2 2.286 CV 1 ASSI { 844} ( segid " " and resid 2401 and name HB% ) (( segid " " and resid 2400 and name HB )) 4.000 2.000 2.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.11996E-02 ppm1 1.653 ppm2 2.269 CV 1 ASSI { 853} ( segid " " and resid 2310 and name HD2%) (( segid " " and resid 2306 and name HB2 )) 3.200 3.200 2.800 peak 853 spectrum 1 weight 0.10000E+01 volume 0.66226E-03 ppm1 1.032 ppm2 2.239 CV 1 OR { 853} ( segid " " and resid 2310 and name HD2%) (( segid " " and resid 2306 and name HB3 )) ASSI { 858} ( segid " " and resid 2458 and name HB% ) (( segid " " and resid 2457 and name HB3 )) 4.300 2.300 1.700 peak 858 spectrum 1 weight 0.10000E+01 volume 0.61228E-03 ppm1 1.639 ppm2 2.236 CV 1 ASSI { 859} (( segid " " and resid 2457 and name HA )) (( segid " " and resid 2457 and name HB3 )) 2.500 0.800 0.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.58479E-02 ppm1 4.029 ppm2 2.258 CV 1 OR { 859} (( segid " " and resid 2457 and name HA )) (( segid " " and resid 2457 and name HB2 )) ASSI { 862} (( segid " " and resid 2391 and name HA )) (( segid " " and resid 2391 and name HB3 )) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.58979E-02 ppm1 4.052 ppm2 2.229 CV 1 OR { 862} (( segid " " and resid 2391 and name HA )) (( segid " " and resid 2391 and name HB2 )) ASSI { 865} (( segid " " and resid 2297 and name HD3 )) (( segid " " and resid 2297 and name HB3 )) 2.600 0.800 0.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.48233E-02 ppm1 3.942 ppm2 2.244 CV 1 ASSI { 866} (( segid " " and resid 2297 and name HG2 )) (( segid " " and resid 2297 and name HB3 )) 2.700 0.900 0.900 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10297E-01 ppm1 1.992 ppm2 2.246 CV 1 ASSI { 867} (( segid " " and resid 2297 and name HG3 )) (( segid " " and resid 2297 and name HB3 )) 2.500 0.800 0.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.35987E-02 ppm1 1.820 ppm2 2.247 CV 1 ASSI { 873} (( segid " " and resid 2337 and name HA )) (( segid " " and resid 2337 and name HB3 )) 2.100 0.500 0.500 peak 873 spectrum 1 weight 0.10000E+01 volume 0.16469E-01 ppm1 4.358 ppm2 2.210 CV 1 ASSI { 879} (( segid " " and resid 2448 and name HA )) (( segid " " and resid 2448 and name HB3 )) 2.600 0.800 0.800 peak 879 spectrum 1 weight 0.10000E+01 volume 0.56355E-02 ppm1 4.190 ppm2 2.194 CV 1 OR { 879} (( segid " " and resid 2448 and name HA )) (( segid " " and resid 2448 and name HB2 )) ASSI { 890} ( segid " " and resid 2339 and name HD2%) (( segid " " and resid 2337 and name HB3 )) 2.800 2.800 3.200 peak 890 spectrum 1 weight 0.10000E+01 volume 0.14245E-02 ppm1 0.929 ppm2 2.172 CV 1 ASSI { 893} (( segid " " and resid 2373 and name HB3 )) (( segid " " and resid 2373 and name HB2 )) 1.700 0.300 0.500 peak 893 spectrum 1 weight 0.10000E+01 volume 0.25866E-01 ppm1 2.341 ppm2 2.155 CV 1 ASSI { 899} (( segid " " and resid 2422 and name HB2 )) (( segid " " and resid 2422 and name HB3 )) 1.600 0.300 0.600 peak 899 spectrum 1 weight 0.10000E+01 volume 0.31264E-01 ppm1 2.053 ppm2 2.162 CV 1 ASSI { 910} (( segid " " and resid 2301 and name HB2 )) (( segid " " and resid 2301 and name HG2 )) 1.800 0.400 0.400 peak 910 spectrum 1 weight 0.10000E+01 volume 0.19406E-01 ppm1 2.112 ppm2 2.184 CV 1 ASSI { 912} ( segid " " and resid 2470 and name HD2%) (( segid " " and resid 2470 and name HB3 )) 2.900 1.100 1.100 peak 912 spectrum 1 weight 0.10000E+01 volume 0.17619E-02 ppm1 1.009 ppm2 2.167 CV 1 ASSI { 920} (( segid " " and resid 2341 and name HA )) (( segid " " and resid 2344 and name HB3 )) 3.600 1.600 1.600 peak 920 spectrum 1 weight 0.10000E+01 volume 0.35987E-02 ppm1 4.408 ppm2 2.145 CV 1 ASSI { 934} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2352 and name HB )) 2.800 1.000 1.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.24866E-02 ppm1 0.974 ppm2 2.123 CV 1 ASSI { 936} (( segid " " and resid 2337 and name HA )) (( segid " " and resid 2337 and name HB2 )) 2.400 0.700 0.700 peak 936 spectrum 1 weight 0.10000E+01 volume 0.11134E-01 ppm1 4.358 ppm2 2.081 CV 1 ASSI { 937} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2316 and name HG12)) 2.700 0.900 0.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.26241E-02 ppm1 0.852 ppm2 2.087 CV 1 ASSI { 939} (( segid " " and resid 2332 and name HD3 )) (( segid " " and resid 2332 and name HG3 )) 2.200 0.600 0.600 peak 939 spectrum 1 weight 0.10000E+01 volume 0.10809E-01 ppm1 3.908 ppm2 2.112 CV 1 OR { 939} (( segid " " and resid 2332 and name HD3 )) (( segid " " and resid 2332 and name HG2 )) ASSI { 940} (( segid " " and resid 2332 and name HB3 )) (( segid " " and resid 2332 and name HG3 )) 2.400 0.700 0.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.84848E-02 ppm1 2.426 ppm2 2.109 CV 1 OR { 940} (( segid " " and resid 2332 and name HB3 )) (( segid " " and resid 2332 and name HG2 )) ASSI { 941} (( segid " " and resid 2301 and name HD3 )) (( segid " " and resid 2301 and name HB2 )) 3.300 1.400 1.400 peak 941 spectrum 1 weight 0.10000E+01 volume 0.37987E-02 ppm1 4.046 ppm2 2.111 CV 1 ASSI { 948} (( segid " " and resid 2368 and name HG2 )) (( segid " " and resid 2368 and name HB3 )) 2.500 0.800 0.800 peak 948 spectrum 1 weight 0.10000E+01 volume 0.55605E-02 ppm1 1.966 ppm2 2.048 CV 1 OR { 948} (( segid " " and resid 2368 and name HG2 )) (( segid " " and resid 2368 and name HB2 )) ASSI { 949} (( segid " " and resid 2368 and name HG3 )) (( segid " " and resid 2368 and name HB3 )) 2.500 0.800 0.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.78344E-02 ppm1 1.810 ppm2 2.067 CV 1 ASSI { 955} (( segid " " and resid 2416 and name HG3 )) (( segid " " and resid 2416 and name HB3 )) 2.600 0.800 0.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.49732E-02 ppm1 2.452 ppm2 2.071 CV 1 ASSI { 959} (( segid " " and resid 2380 and name HB3 )) (( segid " " and resid 2380 and name HG3 )) 2.100 0.500 0.500 peak 959 spectrum 1 weight 0.10000E+01 volume 0.11471E-01 ppm1 2.453 ppm2 2.078 CV 1 ASSI { 967} ( segid " " and resid 2439 and name HD1%) (( segid " " and resid 2439 and name HB2 )) 2.300 0.700 0.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.47858E-02 ppm1 0.983 ppm2 2.047 CV 1 ASSI { 968} (( segid " " and resid 2439 and name HB3 )) (( segid " " and resid 2439 and name HB2 )) 1.800 0.400 0.400 peak 968 spectrum 1 weight 0.10000E+01 volume 0.13021E-01 ppm1 1.685 ppm2 2.045 CV 1 ASSI { 972} ( segid " " and resid 2316 and name HG2%) (( segid " " and resid 2316 and name HB )) 2.500 0.800 0.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.41235E-02 ppm1 1.116 ppm2 2.056 CV 1 ASSI { 973} ( segid " " and resid 2316 and name HD1%) (( segid " " and resid 2316 and name HB )) 2.900 1.000 1.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.23241E-02 ppm1 0.853 ppm2 2.054 CV 1 ASSI { 974} (( segid " " and resid 2313 and name HA )) (( segid " " and resid 2316 and name HB )) 2.600 0.900 0.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.40236E-02 ppm1 4.090 ppm2 2.063 CV 1 ASSI { 978} (( segid " " and resid 2464 and name HB3 )) (( segid " " and resid 2464 and name HB2 )) 1.500 0.300 0.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.32951E-01 ppm1 2.144 ppm2 2.073 CV 1 ASSI { 979} ( segid " " and resid 2352 and name HG2%) (( segid " " and resid 2352 and name HG13)) 3.700 1.700 1.700 peak 979 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 1.049 ppm2 2.070 CV 1 ASSI { 982} ( segid " " and resid 2466 and name HB% ) (( segid " " and resid 2352 and name HG13)) 2.700 0.900 0.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.19368E-02 ppm1 1.571 ppm2 2.071 CV 1 ASSI { 983} (( segid " " and resid 2368 and name HD2 )) (( segid " " and resid 2368 and name HB2 )) 2.800 1.000 1.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.33363E-02 ppm1 3.323 ppm2 2.027 CV 1 OR { 983} (( segid " " and resid 2368 and name HD3 )) (( segid " " and resid 2368 and name HB2 )) ASSI { 986} (( segid " " and resid 2297 and name HG3 )) (( segid " " and resid 2297 and name HG2 )) 1.700 0.300 0.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.24479E-01 ppm1 1.819 ppm2 2.009 CV 1 ASSI { 988} ( segid " " and resid 2310 and name HD1%) (( segid " " and resid 2310 and name HB3 )) 3.300 1.300 1.300 peak 988 spectrum 1 weight 0.10000E+01 volume 0.28240E-02 ppm1 0.984 ppm2 2.014 CV 1 ASSI { 989} (( segid " " and resid 2310 and name HB2 )) (( segid " " and resid 2310 and name HB3 )) 1.800 0.400 0.400 peak 989 spectrum 1 weight 0.10000E+01 volume 0.16556E-01 ppm1 1.647 ppm2 2.013 CV 1 ASSI { 992} (( segid " " and resid 2301 and name HA )) (( segid " " and resid 2304 and name HB )) 2.400 0.700 0.700 peak 992 spectrum 1 weight 0.10000E+01 volume 0.62478E-02 ppm1 4.398 ppm2 2.024 CV 1 ASSI { 995} ( segid " " and resid 2304 and name HD1%) (( segid " " and resid 2304 and name HB )) 2.700 0.900 0.900 peak 995 spectrum 1 weight 0.10000E+01 volume 0.45484E-02 ppm1 0.898 ppm2 2.021 CV 1 ASSI { 999} (( segid " " and resid 2328 and name HG2 )) (( segid " " and resid 2328 and name HB2 )) 2.200 0.600 0.600 peak 999 spectrum 1 weight 0.10000E+01 volume 0.87467E-02 ppm1 1.946 ppm2 2.043 CV 1 ASSI { 1000} (( segid " " and resid 2423 and name HG2 )) (( segid " " and resid 2423 and name HB3 )) 2.400 0.700 0.700 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.73475E-02 ppm1 1.701 ppm2 2.021 CV 1 OR { 1000} (( segid " " and resid 2423 and name HG2 )) (( segid " " and resid 2423 and name HB2 )) ASSI { 1005} (( segid " " and resid 2332 and name HD3 )) (( segid " " and resid 2332 and name HB2 )) 3.300 1.400 1.400 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.47108E-02 ppm1 3.909 ppm2 2.031 CV 1 ASSI { 1007} ( segid " " and resid 2318 and name HB% ) (( segid " " and resid 2321 and name HB3 )) 4.300 2.300 1.700 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.44984E-03 ppm1 1.604 ppm2 2.028 CV 1 ASSI { 1017} (( segid " " and resid 2297 and name HA )) (( segid " " and resid 2297 and name HG2 )) 3.100 1.200 1.200 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.44859E-02 ppm1 4.428 ppm2 1.991 CV 1 ASSI { 1023} (( segid " " and resid 2379 and name HG13)) (( segid " " and resid 2379 and name HB )) 2.400 0.700 0.700 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.57729E-02 ppm1 1.605 ppm2 1.980 CV 1 ASSI { 1024} ( segid " " and resid 2379 and name HG2%) (( segid " " and resid 2379 and name HB )) 2.300 0.600 0.600 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.81847E-02 ppm1 1.003 ppm2 1.980 CV 1 ASSI { 1026} (( segid " " and resid 2422 and name HA )) (( segid " " and resid 2425 and name HB )) 2.600 0.900 0.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.41235E-02 ppm1 4.104 ppm2 2.004 CV 1 ASSI { 1033} (( segid " " and resid 2472 and name HE2 )) (( segid " " and resid 2472 and name HB3 )) 3.900 1.900 1.900 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.17119E-02 ppm1 3.075 ppm2 1.991 CV 1 OR { 1033} (( segid " " and resid 2472 and name HE3 )) (( segid " " and resid 2472 and name HB3 )) OR { 1033} (( segid " " and resid 2472 and name HE2 )) (( segid " " and resid 2472 and name HB2 )) ASSI { 1036} (( segid " " and resid 2454 and name HA )) (( segid " " and resid 2454 and name HB2 )) 2.500 0.800 0.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.77474E-02 ppm1 4.174 ppm2 1.987 CV 1 ASSI { 1037} (( segid " " and resid 2429 and name HA )) (( segid " " and resid 2429 and name HB2 )) 3.100 1.200 1.200 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.23117E-02 ppm1 4.111 ppm2 2.000 CV 1 ASSI { 1038} (( segid " " and resid 2481 and name HA )) (( segid " " and resid 2481 and name HB2 )) 2.500 0.800 0.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.63852E-02 ppm1 4.448 ppm2 1.989 CV 1 ASSI { 1039} (( segid " " and resid 2481 and name HB3 )) (( segid " " and resid 2481 and name HB2 )) 1.700 0.400 0.500 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.28227E-01 ppm1 2.192 ppm2 1.983 CV 1 ASSI { 1042} (( segid " " and resid 2462 and name HA )) (( segid " " and resid 2465 and name HB3 )) 2.800 1.000 1.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.29740E-02 ppm1 4.279 ppm2 1.975 CV 1 OR { 1042} (( segid " " and resid 2462 and name HA )) (( segid " " and resid 2465 and name HB2 )) ASSI { 1045} (( segid " " and resid 2368 and name HB2 )) (( segid " " and resid 2368 and name HG2 )) 2.500 0.800 0.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.80849E-02 ppm1 2.039 ppm2 1.961 CV 1 ASSI { 1051} ( segid " " and resid 2310 and name HD2%) (( segid " " and resid 2310 and name HG )) 2.400 0.700 0.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.73596E-02 ppm1 1.033 ppm2 1.970 CV 1 ASSI { 1052} ( segid " " and resid 2323 and name HD1%) (( segid " " and resid 2323 and name HG )) 2.500 0.800 0.800 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.52356E-02 ppm1 0.932 ppm2 1.952 CV 1 ASSI { 1055} ( segid " " and resid 2346 and name HD1%) (( segid " " and resid 2326 and name HB3 )) 3.500 1.500 1.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.14870E-02 ppm1 1.050 ppm2 1.957 CV 1 ASSI { 1056} ( segid " " and resid 2326 and name HD2%) (( segid " " and resid 2326 and name HB3 )) 2.800 1.000 1.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.28240E-02 ppm1 0.961 ppm2 1.955 CV 1 ASSI { 1061} (( segid " " and resid 2342 and name HA )) (( segid " " and resid 2345 and name HB )) 2.500 0.800 0.800 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.46234E-02 ppm1 3.654 ppm2 1.937 CV 1 ASSI { 1072} (( segid " " and resid 2361 and name HE2 )) (( segid " " and resid 2361 and name HB3 )) 4.300 2.300 1.700 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.98713E-03 ppm1 2.970 ppm2 1.959 CV 1 OR { 1072} (( segid " " and resid 2361 and name HE2 )) (( segid " " and resid 2361 and name HB2 )) OR { 1072} (( segid " " and resid 2361 and name HE3 )) (( segid " " and resid 2361 and name HB2 )) OR { 1072} (( segid " " and resid 2361 and name HE3 )) (( segid " " and resid 2361 and name HB3 )) ASSI { 1076} ( segid " " and resid 2410 and name HB% ) (( segid " " and resid 2424 and name HG )) 3.800 1.800 1.800 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.14994E-02 ppm1 1.570 ppm2 1.911 CV 1 ASSI { 1080} ( segid " " and resid 2346 and name HD1%) (( segid " " and resid 2346 and name HB3 )) 3.700 1.700 1.700 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.18118E-02 ppm1 1.050 ppm2 1.909 CV 1 ASSI { 1082} (( segid " " and resid 2346 and name HA )) (( segid " " and resid 2346 and name HB3 )) 2.900 1.000 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.39361E-02 ppm1 4.023 ppm2 1.920 CV 1 ASSI { 1083} (( segid " " and resid 2295 and name HA )) (( segid " " and resid 2295 and name HB )) 2.500 0.800 0.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.64727E-02 ppm1 4.312 ppm2 1.908 CV 1 ASSI { 1084} ( segid " " and resid 2295 and name HG2%) (( segid " " and resid 2295 and name HB )) 2.400 0.700 0.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.89965E-02 ppm1 0.965 ppm2 1.915 CV 1 ASSI { 1090} (( segid " " and resid 2332 and name HD3 )) (( segid " " and resid 2331 and name HB3 )) 3.300 1.400 1.400 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.45609E-02 ppm1 3.907 ppm2 1.915 CV 1 ASSI { 1091} (( segid " " and resid 2332 and name HD2 )) (( segid " " and resid 2331 and name HB3 )) 2.100 0.500 0.500 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.91841E-02 ppm1 3.728 ppm2 1.915 CV 1 ASSI { 1094} (( segid " " and resid 2331 and name HB2 )) (( segid " " and resid 2331 and name HB3 )) 1.400 0.200 0.800 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.63053E-01 ppm1 1.798 ppm2 1.921 CV 1 ASSI { 1095} (( segid " " and resid 2476 and name HG2 )) (( segid " " and resid 2476 and name HB3 )) 2.600 0.800 0.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.50982E-02 ppm1 1.619 ppm2 1.902 CV 1 OR { 1095} (( segid " " and resid 2476 and name HG2 )) (( segid " " and resid 2476 and name HB2 )) ASSI { 1097} (( segid " " and resid 2329 and name HD2 )) (( segid " " and resid 2329 and name HB2 )) 2.900 1.000 1.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.32738E-02 ppm1 3.312 ppm2 1.925 CV 1 OR { 1097} (( segid " " and resid 2329 and name HD3 )) (( segid " " and resid 2329 and name HB3 )) OR { 1097} (( segid " " and resid 2329 and name HD3 )) (( segid " " and resid 2329 and name HB2 )) OR { 1097} (( segid " " and resid 2329 and name HD2 )) (( segid " " and resid 2329 and name HB3 )) ASSI { 1106} (( segid " " and resid 2326 and name HB3 )) (( segid " " and resid 2326 and name HG )) 2.700 0.900 0.900 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.56980E-02 ppm1 1.957 ppm2 1.888 CV 1 ASSI { 1111} (( segid " " and resid 2473 and name HA )) (( segid " " and resid 2476 and name HB3 )) 3.100 1.200 1.200 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.48483E-02 ppm1 4.259 ppm2 1.897 CV 1 ASSI { 1121} (( segid " " and resid 2327 and name HG3 )) (( segid " " and resid 2327 and name HD2 )) 3.000 1.100 1.100 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.20992E-02 ppm1 1.486 ppm2 1.791 CV 1 OR { 1121} (( segid " " and resid 2327 and name HG2 )) (( segid " " and resid 2327 and name HD3 )) OR { 1121} (( segid " " and resid 2327 and name HG3 )) (( segid " " and resid 2327 and name HD3 )) OR { 1121} (( segid " " and resid 2327 and name HG2 )) (( segid " " and resid 2327 and name HD2 )) ASSI { 1123} ( segid " " and resid 2410 and name HB% ) (( segid " " and resid 2423 and name HD2 )) 3.800 1.800 1.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.74975E-03 ppm1 1.568 ppm2 1.808 CV 1 OR { 1123} ( segid " " and resid 2410 and name HB% ) (( segid " " and resid 2423 and name HD3 )) ASSI { 1125} ( segid " " and resid 2407 and name HD1%) (( segid " " and resid 2407 and name HG )) 2.500 0.800 0.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.54855E-02 ppm1 1.086 ppm2 1.807 CV 1 ASSI { 1129} (( segid " " and resid 2346 and name HB2 )) (( segid " " and resid 2346 and name HG )) 2.800 1.000 1.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.38237E-02 ppm1 1.743 ppm2 1.810 CV 1 ASSI { 1130} (( segid " " and resid 2407 and name HA )) (( segid " " and resid 2407 and name HG )) 2.800 1.000 1.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.40360E-02 ppm1 4.348 ppm2 1.806 CV 1 ASSI { 1142} (( segid " " and resid 2429 and name HD2 )) (( segid " " and resid 2429 and name HG3 )) 2.200 0.600 0.600 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.10147E-01 ppm1 1.756 ppm2 1.805 CV 1 OR { 1142} (( segid " " and resid 2429 and name HD3 )) (( segid " " and resid 2429 and name HG3 )) ASSI { 1144} ( segid " " and resid 2425 and name HG2%) (( segid " " and resid 2429 and name HG3 )) 2.900 1.000 1.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.16244E-02 ppm1 1.046 ppm2 1.807 CV 1 ASSI { 1148} ( segid " " and resid 2456 and name HD2%) (( segid " " and resid 2456 and name HB2 )) 3.600 1.600 1.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.18118E-02 ppm1 1.027 ppm2 1.806 CV 1 ASSI { 1153} (( segid " " and resid 2347 and name HA )) (( segid " " and resid 2350 and name HD2 )) 2.900 1.100 1.100 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.21992E-02 ppm1 4.077 ppm2 1.751 CV 1 OR { 1153} (( segid " " and resid 2347 and name HA )) (( segid " " and resid 2350 and name HD3 )) ASSI { 1165} (( segid " " and resid 2476 and name HA )) (( segid " " and resid 2476 and name HD2 )) 3.400 1.400 1.400 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.33863E-02 ppm1 4.213 ppm2 1.765 CV 1 OR { 1165} (( segid " " and resid 2476 and name HA )) (( segid " " and resid 2476 and name HD3 )) ASSI { 1167} ( segid " " and resid 2370 and name HD1%) (( segid " " and resid 2375 and name HD3 )) 3.000 1.100 1.100 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.25991E-02 ppm1 0.837 ppm2 1.769 CV 1 OR { 1167} ( segid " " and resid 2370 and name HD1%) (( segid " " and resid 2375 and name HD2 )) ASSI { 1169} ( segid " " and resid 2470 and name HD2%) (( segid " " and resid 2470 and name HG )) 2.500 0.800 0.800 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.34363E-02 ppm1 1.005 ppm2 1.780 CV 1 ASSI { 1170} (( segid " " and resid 2309 and name HB3 )) (( segid " " and resid 2309 and name HG )) 2.800 1.000 1.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.42110E-02 ppm1 1.555 ppm2 1.762 CV 1 ASSI { 1174} ( segid " " and resid 2384 and name HD2%) (( segid " " and resid 2384 and name HG )) 2.500 0.800 0.800 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.65726E-02 ppm1 0.966 ppm2 1.758 CV 1 ASSI { 1175} ( segid " " and resid 2415 and name HG2%) (( segid " " and resid 2346 and name HG )) 2.900 2.900 3.100 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.12621E-02 ppm1 1.186 ppm2 1.765 CV 1 ASSI { 1176} (( segid " " and resid 2346 and name HB3 )) (( segid " " and resid 2346 and name HG )) 2.200 0.600 0.600 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.79597E-02 ppm1 1.912 ppm2 1.763 CV 1 ASSI { 1177} (( segid " " and resid 2384 and name HB3 )) (( segid " " and resid 2384 and name HG )) 1.900 0.500 0.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.24029E-01 ppm1 1.812 ppm2 1.756 CV 1 ASSI { 1179} (( segid " " and resid 2361 and name HE2 )) (( segid " " and resid 2361 and name HG2 )) 2.700 0.900 0.900 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.44234E-02 ppm1 2.972 ppm2 1.756 CV 1 OR { 1179} (( segid " " and resid 2361 and name HE3 )) (( segid " " and resid 2361 and name HG2 )) ASSI { 1184} ( segid " " and resid 2470 and name HD2%) (( segid " " and resid 2470 and name HB2 )) 3.000 1.100 1.100 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.18993E-02 ppm1 1.003 ppm2 1.775 CV 1 ASSI { 1185} ( segid " " and resid 2470 and name HD1%) (( segid " " and resid 2470 and name HB2 )) 2.900 1.100 1.100 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.13495E-02 ppm1 1.069 ppm2 1.775 CV 1 ASSI { 1187} ( segid " " and resid 2384 and name HD2%) (( segid " " and resid 2384 and name HB2 )) 3.000 1.100 1.100 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.29365E-02 ppm1 0.966 ppm2 1.775 CV 1 OR { 1187} ( segid " " and resid 2384 and name HD2%) (( segid " " and resid 2384 and name HB3 )) ASSI { 1190} ( segid " " and resid 2352 and name HD1%) (( segid " " and resid 2470 and name HB2 )) 3.100 1.200 1.200 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 0.977 ppm2 1.778 CV 1 ASSI { 1191} (( segid " " and resid 2384 and name HA )) (( segid " " and resid 2384 and name HB3 )) 2.300 0.700 0.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.12246E-01 ppm1 4.379 ppm2 1.785 CV 1 ASSI { 1192} (( segid " " and resid 2327 and name HG2 )) (( segid " " and resid 2327 and name HB2 )) 2.900 1.000 1.000 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.28115E-02 ppm1 1.492 ppm2 1.779 CV 1 OR { 1192} (( segid " " and resid 2327 and name HG3 )) (( segid " " and resid 2327 and name HB2 )) ASSI { 1202} ( segid " " and resid 2384 and name HD1%) (( segid " " and resid 2384 and name HG )) 2.400 0.700 0.700 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.72973E-02 ppm1 0.995 ppm2 1.739 CV 1 ASSI { 1204} ( segid " " and resid 2313 and name HB% ) (( segid " " and resid 2361 and name HG2 )) 3.400 1.500 1.500 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.12495E-02 ppm1 1.640 ppm2 1.739 CV 1 ASSI { 1205} (( segid " " and resid 2472 and name HE3 )) (( segid " " and resid 2472 and name HD2 )) 2.300 0.600 0.600 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.90340E-02 ppm1 3.041 ppm2 1.725 CV 1 OR { 1205} (( segid " " and resid 2472 and name HE2 )) (( segid " " and resid 2472 and name HD2 )) ASSI { 1206} (( segid " " and resid 2407 and name HG )) (( segid " " and resid 2407 and name HB2 )) 2.700 0.900 0.900 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.47733E-02 ppm1 1.824 ppm2 1.724 CV 1 ASSI { 1207} ( segid " " and resid 2431 and name HG2%) (( segid " " and resid 2407 and name HB2 )) 2.800 1.000 1.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.14994E-02 ppm1 1.118 ppm2 1.725 CV 1 ASSI { 1209} ( segid " " and resid 2428 and name HB% ) (( segid " " and resid 2407 and name HB2 )) 3.500 1.500 1.500 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.15994E-02 ppm1 1.673 ppm2 1.726 CV 1 ASSI { 1210} ( segid " " and resid 2459 and name HB% ) ( segid " " and resid 2462 and name HB% ) 3.500 1.500 1.500 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.20742E-02 ppm1 1.628 ppm2 1.731 CV 1 ASSI { 1216} (( segid " " and resid 2423 and name HA )) (( segid " " and resid 2423 and name HG2 )) 2.800 1.000 1.000 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.46358E-02 ppm1 4.237 ppm2 1.689 CV 1 ASSI { 1220} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2359 and name HB3 )) 2.900 1.100 1.100 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.17619E-02 ppm1 1.150 ppm2 1.684 CV 1 ASSI { 1223} ( segid " " and resid 2439 and name HD1%) (( segid " " and resid 2439 and name HB3 )) 3.100 1.200 1.200 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.53231E-02 ppm1 0.983 ppm2 1.685 CV 1 ASSI { 1224} ( segid " " and resid 2407 and name HD2%) (( segid " " and resid 2407 and name HB2 )) 2.800 1.000 1.000 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.22867E-02 ppm1 1.052 ppm2 1.713 CV 1 ASSI { 1241} ( segid " " and resid 2363 and name HB% ) (( segid " " and resid 2438 and name HG )) 3.200 1.300 1.300 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.11996E-02 ppm1 1.587 ppm2 1.661 CV 1 ASSI { 1242} ( segid " " and resid 2359 and name HD2%) (( segid " " and resid 2359 and name HG )) 2.600 0.900 0.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.33738E-02 ppm1 1.149 ppm2 1.644 CV 1 ASSI { 1243} ( segid " " and resid 2359 and name HD1%) (( segid " " and resid 2359 and name HG )) 2.700 0.900 0.900 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.27740E-02 ppm1 1.028 ppm2 1.650 CV 1 ASSI { 1247} ( segid " " and resid 2310 and name HD2%) (( segid " " and resid 2310 and name HB2 )) 2.500 0.800 0.800 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.68351E-02 ppm1 1.033 ppm2 1.646 CV 1 ASSI { 1253} (( segid " " and resid 2414 and name HA )) ( segid " " and resid 2414 and name HB% ) 2.400 0.700 0.700 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.70347E-02 ppm1 4.194 ppm2 1.669 CV 1 ASSI { 1258} ( segid " " and resid 2345 and name HD1%) ( segid " " and resid 2414 and name HB% ) 4.300 2.300 1.700 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.77474E-03 ppm1 0.669 ppm2 1.668 CV 1 ASSI { 1261} ( segid " " and resid 2415 and name HG2%) ( segid " " and resid 2414 and name HB% ) 4.800 2.800 1.200 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.21242E-03 ppm1 1.183 ppm2 1.657 CV 1 ASSI { 1266} (( segid " " and resid 2405 and name HB2 )) ( segid " " and resid 2401 and name HB% ) 3.000 1.100 1.100 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.21367E-02 ppm1 2.944 ppm2 1.649 CV 1 ASSI { 1273} (( segid " " and resid 2429 and name HA )) ( segid " " and resid 2432 and name HB% ) 2.700 0.900 0.900 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.34863E-02 ppm1 4.112 ppm2 1.658 CV 1 ASSI { 1275} ( segid " " and resid 2379 and name HG2%) (( segid " " and resid 2379 and name HG13)) 2.800 1.000 1.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.25991E-02 ppm1 1.001 ppm2 1.607 CV 1 ASSI { 1284} (( segid " " and resid 2310 and name HA )) (( segid " " and resid 2310 and name HB2 )) 2.600 0.800 0.800 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.72598E-02 ppm1 4.206 ppm2 1.637 CV 1 ASSI { 1286} (( segid " " and resid 2317 and name HB3 )) ( segid " " and resid 2314 and name HB% ) 4.200 2.200 1.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.16244E-02 ppm1 2.168 ppm2 1.612 CV 1 ASSI { 1287} (( segid " " and resid 2470 and name HG )) ( segid " " and resid 2348 and name HB% ) 4.200 2.200 1.800 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.13245E-02 ppm1 1.780 ppm2 1.628 CV 1 ASSI { 1288} ( segid " " and resid 2470 and name HD1%) ( segid " " and resid 2348 and name HB% ) 2.600 0.800 0.800 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.34612E-02 ppm1 1.068 ppm2 1.611 CV 1 ASSI { 1291} (( segid " " and resid 2470 and name HB2 )) ( segid " " and resid 2348 and name HB% ) 3.200 1.300 1.300 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.16494E-02 ppm1 1.790 ppm2 1.618 CV 1 ASSI { 1292} (( segid " " and resid 2412 and name HB3 )) ( segid " " and resid 2413 and name HB% ) 3.600 1.600 1.600 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.17744E-02 ppm1 2.848 ppm2 1.611 CV 1 ASSI { 1293} (( segid " " and resid 2405 and name HB3 )) ( segid " " and resid 2402 and name HB% ) 3.500 1.500 1.500 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.25866E-02 ppm1 3.008 ppm2 1.615 CV 1 ASSI { 1304} (( segid " " and resid 2406 and name HB2 )) ( segid " " and resid 2403 and name HB% ) 4.300 2.300 1.700 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.31239E-03 ppm1 3.086 ppm2 1.613 CV 1 ASSI { 1307} ( segid " " and resid 2310 and name HD1%) ( segid " " and resid 2313 and name HB% ) 3.700 1.700 1.700 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.14495E-02 ppm1 0.984 ppm2 1.632 CV 1 ASSI { 1311} ( segid " " and resid 2456 and name HD1%) ( segid " " and resid 2362 and name HB% ) 3.800 1.800 1.800 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.11121E-02 ppm1 1.064 ppm2 1.617 CV 1 ASSI { 1312} ( segid " " and resid 2359 and name HD1%) ( segid " " and resid 2459 and name HB% ) 2.900 1.000 1.000 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.27865E-02 ppm1 1.025 ppm2 1.623 CV 1 ASSI { 1316} ( segid " " and resid 2304 and name HG2%) (( segid " " and resid 2304 and name HG12)) 2.900 1.100 1.100 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.26990E-02 ppm1 1.019 ppm2 1.580 CV 1 ASSI { 1321} ( segid " " and resid 2378 and name HB% ) (( segid " " and resid 2379 and name HG13)) 3.800 1.900 1.900 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.14620E-02 ppm1 1.485 ppm2 1.597 CV 1 ASSI { 1325} ( segid " " and resid 2384 and name HD2%) ( segid " " and resid 2383 and name HB% ) 3.500 1.500 1.500 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.39986E-03 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 1328} ( segid " " and resid 2424 and name HD2%) ( segid " " and resid 2474 and name HB% ) 3.300 1.400 1.400 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.89965E-03 ppm1 1.002 ppm2 1.578 CV 1 ASSI { 1330} ( segid " " and resid 2471 and name HG1%) ( segid " " and resid 2474 and name HB% ) 4.300 2.300 1.700 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.49982E-03 ppm1 1.017 ppm2 1.580 CV 1 ASSI { 1335} (( segid " " and resid 2352 and name HA )) ( segid " " and resid 2355 and name HB% ) 2.700 0.900 0.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.32864E-02 ppm1 3.710 ppm2 1.596 CV 1 ASSI { 1339} (( segid " " and resid 2352 and name HG12)) ( segid " " and resid 2466 and name HB% ) 3.100 1.200 1.200 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.20243E-02 ppm1 0.978 ppm2 1.576 CV 1 ASSI { 1340} (( segid " " and resid 2430 and name HB2 )) ( segid " " and resid 2433 and name HB% ) 3.800 1.800 1.800 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.18368E-02 ppm1 2.447 ppm2 1.595 CV 1 ASSI { 1341} ( segid " " and resid 2323 and name HD2%) ( segid " " and resid 2320 and name HB% ) 4.500 2.500 1.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.74975E-03 ppm1 0.967 ppm2 1.578 CV 1 ASSI { 1344} ( segid " " and resid 2400 and name HG1%) ( segid " " and resid 2403 and name HB% ) 4.600 2.700 1.400 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.43734E-03 ppm1 1.069 ppm2 1.597 CV 1 ASSI { 1346} ( segid " " and resid 2435 and name HG2%) ( segid " " and resid 2355 and name HB% ) 5.200 3.300 0.800 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.21242E-03 ppm1 1.305 ppm2 1.586 CV 1 ASSI { 1347} (( segid " " and resid 2351 and name HB2 )) ( segid " " and resid 2348 and name HB% ) 3.700 1.700 1.700 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.16494E-02 ppm1 4.248 ppm2 1.592 CV 1 ASSI { 1361} ( segid " " and resid 2438 and name HD1%) ( segid " " and resid 2363 and name HB% ) 3.100 1.200 1.200 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.21367E-02 ppm1 0.949 ppm2 1.572 CV 1 ASSI { 1363} (( segid " " and resid 2423 and name HE2 )) ( segid " " and resid 2413 and name HB% ) 3.200 1.300 1.300 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 3.049 ppm2 1.594 CV 1 OR { 1363} (( segid " " and resid 2423 and name HE3 )) ( segid " " and resid 2413 and name HB% ) ASSI { 1368} ( segid " " and resid 2370 and name HD2%) ( segid " " and resid 2366 and name HB% ) 3.800 1.800 1.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.64977E-03 ppm1 0.830 ppm2 1.577 CV 1 ASSI { 1372} (( segid " " and resid 2429 and name HA )) (( segid " " and resid 2429 and name HG2 )) 2.300 0.600 0.600 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.75471E-02 ppm1 4.110 ppm2 1.542 CV 1 ASSI { 1382} (( segid " " and resid 2332 and name HD2 )) (( segid " " and resid 2331 and name HG2 )) 3.500 1.500 1.500 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.18619E-02 ppm1 3.732 ppm2 1.546 CV 1 OR { 1382} (( segid " " and resid 2332 and name HD2 )) (( segid " " and resid 2331 and name HG3 )) ASSI { 1386} (( segid " " and resid 2331 and name HB2 )) (( segid " " and resid 2331 and name HG3 )) 2.400 0.700 0.700 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.67474E-02 ppm1 1.798 ppm2 1.550 CV 1 OR { 1386} (( segid " " and resid 2331 and name HB2 )) (( segid " " and resid 2331 and name HG2 )) ASSI { 1387} ( segid " " and resid 2323 and name HD2%) (( segid " " and resid 2323 and name HB3 )) 2.900 1.000 1.000 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.22117E-02 ppm1 0.966 ppm2 1.540 CV 1 ASSI { 1388} ( segid " " and resid 2346 and name HD1%) (( segid " " and resid 2323 and name HB3 )) 3.200 1.300 1.300 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.12495E-02 ppm1 1.050 ppm2 1.538 CV 1 ASSI { 1391} ( segid " " and resid 2309 and name HD1%) (( segid " " and resid 2309 and name HB3 )) 2.900 1.000 1.000 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.29489E-02 ppm1 0.849 ppm2 1.553 CV 1 ASSI { 1395} ( segid " " and resid 2360 and name HG2%) (( segid " " and resid 2309 and name HB3 )) 3.000 1.100 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.12871E-02 ppm1 1.115 ppm2 1.553 CV 1 ASSI { 1396} (( segid " " and resid 2321 and name HA )) ( segid " " and resid 2320 and name HB% ) 3.400 1.500 1.500 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 4.137 ppm2 1.565 CV 1 ASSI { 1398} ( segid " " and resid 2393 and name HD2%) ( segid " " and resid 2441 and name HB% ) 4.000 2.000 2.000 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.96214E-03 ppm1 0.660 ppm2 1.532 CV 1 ASSI { 1399} ( segid " " and resid 2424 and name HD1%) ( segid " " and resid 2410 and name HB% ) 2.900 1.000 1.000 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.27740E-02 ppm1 0.899 ppm2 1.561 CV 1 ASSI { 1400} (( segid " " and resid 2398 and name HA )) ( segid " " and resid 2312 and name HB% ) 3.300 1.400 1.400 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 4.076 ppm2 1.559 CV 1 ASSI { 1401} ( segid " " and resid 2401 and name HB% ) ( segid " " and resid 2312 and name HB% ) 2.500 0.800 0.800 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.70475E-02 ppm1 1.650 ppm2 1.564 CV 1 ASSI { 1402} ( segid " " and resid 2316 and name HD1%) ( segid " " and resid 2312 and name HB% ) 3.900 1.900 1.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.54980E-03 ppm1 0.851 ppm2 1.559 CV 1 ASSI { 1403} (( segid " " and resid 2312 and name HA )) ( segid " " and resid 2312 and name HB% ) 2.200 0.600 0.600 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.14082E-01 ppm1 4.346 ppm2 1.549 CV 1 ASSI { 1412} ( segid " " and resid 2346 and name HD1%) (( segid " " and resid 2326 and name HB2 )) 3.100 1.200 1.200 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 1.049 ppm2 1.509 CV 1 ASSI { 1416} (( segid " " and resid 2393 and name HG )) (( segid " " and resid 2393 and name HB3 )) 2.200 0.600 0.600 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.82222E-02 ppm1 1.337 ppm2 1.502 CV 1 ASSI { 1418} ( segid " " and resid 2393 and name HD1%) (( segid " " and resid 2393 and name HB3 )) 3.800 1.800 1.800 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.14870E-02 ppm1 0.585 ppm2 1.506 CV 1 ASSI { 1422} ( segid " " and resid 2438 and name HD1%) (( segid " " and resid 2438 and name HB3 )) 3.400 1.400 1.400 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.28740E-02 ppm1 0.949 ppm2 1.514 CV 1 ASSI { 1423} ( segid " " and resid 2438 and name HD2%) (( segid " " and resid 2438 and name HB3 )) 2.900 1.100 1.100 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.19743E-02 ppm1 0.904 ppm2 1.512 CV 1 ASSI { 1424} ( segid " " and resid 2400 and name HG1%) (( segid " " and resid 2438 and name HB3 )) 3.700 1.700 1.700 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.18244E-02 ppm1 1.069 ppm2 1.514 CV 1 ASSI { 1426} ( segid " " and resid 2439 and name HD1%) (( segid " " and resid 2438 and name HB3 )) 2.400 0.700 0.700 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.36862E-02 ppm1 1.000 ppm2 1.510 CV 1 ASSI { 1434} ( segid " " and resid 2393 and name HD1%) ( segid " " and resid 2441 and name HB% ) 3.200 1.300 1.300 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.14495E-02 ppm1 0.586 ppm2 1.514 CV 1 ASSI { 1436} ( segid " " and resid 2440 and name HG1%) ( segid " " and resid 2441 and name HB% ) 4.400 2.400 1.600 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.46234E-03 ppm1 1.183 ppm2 1.515 CV 1 ASSI { 1439} ( segid " " and resid 2444 and name HG2%) ( segid " " and resid 2441 and name HB% ) 3.400 1.500 1.500 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.46234E-03 ppm1 1.283 ppm2 1.516 CV 1 ASSI { 1440} ( segid " " and resid 2440 and name HG2%) ( segid " " and resid 2441 and name HB% ) 4.500 2.500 1.500 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.64977E-03 ppm1 1.067 ppm2 1.521 CV 1 ASSI { 1442} ( segid " " and resid 2424 and name HD2%) (( segid " " and resid 2424 and name HB2 )) 3.200 1.300 1.300 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 1.004 ppm2 1.478 CV 1 ASSI { 1443} ( segid " " and resid 2424 and name HD1%) (( segid " " and resid 2424 and name HB2 )) 2.700 0.900 0.900 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.28990E-02 ppm1 0.898 ppm2 1.479 CV 1 ASSI { 1445} (( segid " " and resid 2424 and name HA )) (( segid " " and resid 2424 and name HB2 )) 2.500 0.800 0.800 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.39736E-02 ppm1 3.974 ppm2 1.475 CV 1 ASSI { 1447} (( segid " " and resid 2377 and name HA2 )) ( segid " " and resid 2378 and name HB% ) 3.700 1.700 1.700 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.21742E-02 ppm1 4.110 ppm2 1.481 CV 1 ASSI { 1449} ( segid " " and resid 2438 and name HD2%) ( segid " " and resid 2397 and name HB% ) 4.100 2.100 1.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.41235E-03 ppm1 0.902 ppm2 1.485 CV 1 ASSI { 1450} ( segid " " and resid 2470 and name HD2%) ( segid " " and resid 2349 and name HB% ) 3.300 1.400 1.400 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.54980E-03 ppm1 1.005 ppm2 1.478 CV 1 ASSI { 1451} ( segid " " and resid 2323 and name HD2%) ( segid " " and resid 2349 and name HB% ) 3.100 1.200 1.200 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.16869E-02 ppm1 0.966 ppm2 1.479 CV 1 ASSI { 1453} ( segid " " and resid 2407 and name HD2%) ( segid " " and resid 2349 and name HB% ) 3.500 1.500 1.500 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.16119E-02 ppm1 1.052 ppm2 1.478 CV 1 ASSI { 1454} ( segid " " and resid 2323 and name HD1%) ( segid " " and resid 2349 and name HB% ) 3.300 1.400 1.400 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.16994E-02 ppm1 0.931 ppm2 1.478 CV 1 ASSI { 1462} ( segid " " and resid 2394 and name HD1%) ( segid " " and resid 2305 and name HB% ) 3.500 1.500 1.500 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.11621E-02 ppm1 0.858 ppm2 1.469 CV 1 ASSI { 1466} (( segid " " and resid 2369 and name HB3 )) ( segid " " and resid 2452 and name HB% ) 3.800 1.800 1.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.73723E-03 ppm1 2.245 ppm2 1.468 CV 1 OR { 1466} (( segid " " and resid 2369 and name HB2 )) ( segid " " and resid 2452 and name HB% ) ASSI { 1467} (( segid " " and resid 2361 and name HD2 )) (( segid " " and resid 2361 and name HG3 )) 2.600 0.800 0.800 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.40610E-02 ppm1 1.758 ppm2 1.411 CV 1 OR { 1467} (( segid " " and resid 2361 and name HD3 )) (( segid " " and resid 2361 and name HG3 )) ASSI { 1469} ( segid " " and resid 2310 and name HD1%) (( segid " " and resid 2361 and name HG3 )) 3.700 1.700 1.700 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.11996E-02 ppm1 0.983 ppm2 1.414 CV 1 ASSI { 1472} ( segid " " and resid 2313 and name HB% ) (( segid " " and resid 2361 and name HG3 )) 3.300 1.400 1.400 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 1.637 ppm2 1.412 CV 1 ASSI { 1475} (( segid " " and resid 2478 and name HA )) ( segid " " and resid 2478 and name HB% ) 2.100 0.500 0.500 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.18956E-01 ppm1 4.277 ppm2 1.408 CV 1 ASSI { 1479} ( segid " " and resid 2438 and name HD2%) ( segid " " and resid 2404 and name HG2%) 3.500 1.500 1.500 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.39986E-03 ppm1 0.900 ppm2 1.370 CV 1 ASSI { 1489} ( segid " " and resid 2407 and name HD2%) ( segid " " and resid 2411 and name HB% ) 3.800 1.800 1.800 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.96214E-03 ppm1 1.052 ppm2 1.377 CV 1 ASSI { 1490} ( segid " " and resid 2424 and name HD1%) ( segid " " and resid 2411 and name HB% ) 3.600 1.600 1.600 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.11371E-02 ppm1 0.898 ppm2 1.376 CV 1 ASSI { 1493} ( segid " " and resid 2345 and name HG2%) ( segid " " and resid 2411 and name HB% ) 3.000 1.100 1.100 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.19243E-02 ppm1 0.831 ppm2 1.377 CV 1 ASSI { 1496} ( segid " " and resid 2438 and name HD1%) (( segid " " and resid 2393 and name HG )) 3.300 1.300 1.300 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.13620E-02 ppm1 0.952 ppm2 1.341 CV 1 ASSI { 1502} ( segid " " and resid 2352 and name HG2%) ( segid " " and resid 2435 and name HG2%) 5.100 3.300 0.900 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.52481E-03 ppm1 1.048 ppm2 1.311 CV 1 ASSI { 1510} ( segid " " and resid 2359 and name HD2%) ( segid " " and resid 2356 and name HG2%) 4.100 2.100 1.900 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.76221E-03 ppm1 1.150 ppm2 1.294 CV 1 ASSI { 1515} ( segid " " and resid 2400 and name HG1%) ( segid " " and resid 2356 and name HG2%) 4.600 2.700 1.400 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.49982E-03 ppm1 1.069 ppm2 1.291 CV 1 ASSI { 1517} ( segid " " and resid 2463 and name HG1%) ( segid " " and resid 2356 and name HG2%) 3.100 1.200 1.200 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.14745E-02 ppm1 0.997 ppm2 1.292 CV 1 ASSI { 1518} ( segid " " and resid 2404 and name HG2%) ( segid " " and resid 2356 and name HG2%) 3.500 1.500 1.500 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.54980E-03 ppm1 1.373 ppm2 1.289 CV 1 ASSI { 1535} ( segid " " and resid 2295 and name HG2%) (( segid " " and resid 2295 and name HG13)) 3.600 1.600 1.600 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.16244E-02 ppm1 0.966 ppm2 1.251 CV 1 ASSI { 1538} ( segid " " and resid 2304 and name HD1%) ( segid " " and resid 2299 and name HG2%) 3.200 1.300 1.300 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.67474E-03 ppm1 0.898 ppm2 1.260 CV 1 ASSI { 1540} ( segid " " and resid 2379 and name HG2%) (( segid " " and resid 2379 and name HG12)) 3.200 1.300 1.300 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.34488E-02 ppm1 1.002 ppm2 1.224 CV 1 ASSI { 1542} ( segid " " and resid 2470 and name HD2%) ( segid " " and resid 2471 and name HG2%) 3.400 1.400 1.400 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.47483E-03 ppm1 1.003 ppm2 1.222 CV 1 ASSI { 1544} ( segid " " and resid 2471 and name HG1%) ( segid " " and resid 2471 and name HG2%) 2.500 0.800 0.800 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.61978E-02 ppm1 1.017 ppm2 1.223 CV 1 ASSI { 1549} ( segid " " and resid 2474 and name HB% ) ( segid " " and resid 2471 and name HG2%) 3.400 1.500 1.500 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.43734E-03 ppm1 1.573 ppm2 1.211 CV 1 ASSI { 1561} ( segid " " and resid 2346 and name HD2%) ( segid " " and resid 2415 and name HG2%) 3.900 1.900 1.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.83723E-03 ppm1 1.002 ppm2 1.187 CV 1 ASSI { 1562} ( segid " " and resid 2346 and name HD1%) ( segid " " and resid 2415 and name HG2%) 3.300 1.300 1.300 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.12495E-02 ppm1 1.051 ppm2 1.187 CV 1 ASSI { 1564} ( segid " " and resid 2302 and name HG2%) ( segid " " and resid 2371 and name HG1%) 4.000 2.000 2.000 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.63727E-03 ppm1 1.348 ppm2 1.166 CV 1 ASSI { 1572} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2425 and name HG13)) 5.100 3.300 0.900 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.74975E-04 ppm1 1.017 ppm2 1.130 CV 1 OR { 1572} ( segid " " and resid 2471 and name HG1%) (( segid " " and resid 2425 and name HG12)) ASSI { 1577} ( segid " " and resid 2438 and name HD2%) ( segid " " and resid 2359 and name HD2%) 2.800 1.000 1.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.27615E-02 ppm1 0.903 ppm2 1.146 CV 1 ASSI { 1579} ( segid " " and resid 2439 and name HD1%) ( segid " " and resid 2359 and name HD2%) 3.800 1.800 1.800 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.29990E-03 ppm1 0.983 ppm2 1.146 CV 1 ASSI { 1581} ( segid " " and resid 2438 and name HD1%) ( segid " " and resid 2359 and name HD2%) 4.300 2.300 1.700 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.93716E-03 ppm1 0.947 ppm2 1.148 CV 1 ASSI { 1583} ( segid " " and resid 2439 and name HD2%) ( segid " " and resid 2359 and name HD2%) 4.300 2.300 1.700 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.59978E-03 ppm1 0.916 ppm2 1.146 CV 1 ASSI { 1585} ( segid " " and resid 2400 and name HG1%) ( segid " " and resid 2359 and name HD2%) 3.900 1.900 1.900 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.10996E-02 ppm1 1.069 ppm2 1.148 CV 1 ASSI { 1586} ( segid " " and resid 2400 and name HG2%) ( segid " " and resid 2359 and name HD2%) 3.500 1.500 1.500 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.13370E-02 ppm1 0.935 ppm2 1.146 CV 1 ASSI { 1587} ( segid " " and resid 2463 and name HG1%) ( segid " " and resid 2359 and name HD2%) 4.600 2.600 1.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.59978E-03 ppm1 0.998 ppm2 1.145 CV 1 ASSI { 1590} ( segid " " and resid 2459 and name HB% ) ( segid " " and resid 2359 and name HD2%) 4.300 2.300 1.700 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.41235E-03 ppm1 1.636 ppm2 1.150 CV 1 ASSI { 1594} ( segid " " and resid 2376 and name HG2%) ( segid " " and resid 2371 and name HG1%) 3.800 1.800 1.800 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.94968E-03 ppm1 0.821 ppm2 1.157 CV 1 ASSI { 1597} (( segid " " and resid 2393 and name HG )) (( segid " " and resid 2393 and name HB2 )) 2.500 0.800 0.800 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.78224E-02 ppm1 1.337 ppm2 1.140 CV 1 ASSI { 1603} ( segid " " and resid 2407 and name HD2%) ( segid " " and resid 2431 and name HG2%) 3.000 1.100 1.100 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.16744E-02 ppm1 1.049 ppm2 1.120 CV 1 ASSI { 1604} ( segid " " and resid 2431 and name HG1%) ( segid " " and resid 2431 and name HG2%) 2.500 0.800 0.800 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.45234E-02 ppm1 0.915 ppm2 1.117 CV 1 ASSI { 1605} ( segid " " and resid 2435 and name HG2%) ( segid " " and resid 2431 and name HG2%) 3.500 3.500 2.500 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.39986E-03 ppm1 1.310 ppm2 1.119 CV 1 ASSI { 1606} ( segid " " and resid 2352 and name HG2%) ( segid " " and resid 2431 and name HG2%) 3.600 1.600 1.600 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.11996E-02 ppm1 1.047 ppm2 1.121 CV 1 ASSI { 1612} ( segid " " and resid 2356 and name HG2%) ( segid " " and resid 2360 and name HG1%) 4.200 2.200 1.800 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.74975E-03 ppm1 1.299 ppm2 1.105 CV 1 ASSI { 1614} ( segid " " and resid 2313 and name HB% ) ( segid " " and resid 2360 and name HG1%) 3.500 1.500 1.500 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.73723E-03 ppm1 1.639 ppm2 1.109 CV 1 OR { 1614} ( segid " " and resid 2313 and name HB% ) ( segid " " and resid 2360 and name HG2%) ASSI { 1615} ( segid " " and resid 2312 and name HB% ) ( segid " " and resid 2360 and name HG2%) 3.600 1.600 1.600 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.91218E-03 ppm1 1.559 ppm2 1.110 CV 1 OR { 1615} ( segid " " and resid 2312 and name HB% ) ( segid " " and resid 2360 and name HG1%) ASSI { 1620} ( segid " " and resid 2302 and name HG2%) ( segid " " and resid 2303 and name HG2%) 4.500 2.500 1.500 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.52481E-03 ppm1 1.342 ppm2 1.104 CV 1 ASSI { 1625} ( segid " " and resid 2444 and name HG2%) ( segid " " and resid 2444 and name HG1%) 2.700 0.900 0.900 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.44984E-02 ppm1 1.283 ppm2 1.098 CV 1 ASSI { 1631} ( segid " " and resid 2319 and name HB% ) ( segid " " and resid 2316 and name HG2%) 4.100 2.100 1.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.41235E-03 ppm1 1.693 ppm2 1.114 CV 1 ASSI { 1639} ( segid " " and resid 2366 and name HB% ) ( segid " " and resid 2456 and name HD1%) 3.800 1.800 1.800 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.54980E-03 ppm1 1.583 ppm2 1.066 CV 1 ASSI { 1642} ( segid " " and resid 2431 and name HG1%) ( segid " " and resid 2407 and name HD2%) 4.300 2.300 1.700 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.33738E-03 ppm1 0.915 ppm2 1.070 CV 1 ASSI { 1644} (( segid " " and resid 2407 and name HB3 )) ( segid " " and resid 2407 and name HD2%) 3.500 1.600 1.600 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.91218E-03 ppm1 2.294 ppm2 1.076 CV 1 OR { 1644} (( segid " " and resid 2407 and name HB3 )) ( segid " " and resid 2407 and name HD1%) ASSI { 1651} ( segid " " and resid 2473 and name HB% ) ( segid " " and resid 2470 and name HD1%) 3.800 1.800 1.800 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.11246E-02 ppm1 1.570 ppm2 1.056 CV 1 ASSI { 1656} ( segid " " and resid 2352 and name HD1%) ( segid " " and resid 2407 and name HD1%) 3.200 3.200 2.800 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.24491E-02 ppm1 0.977 ppm2 1.069 CV 1 ASSI { 1657} (( segid " " and resid 2428 and name HA )) ( segid " " and resid 2407 and name HD2%) 3.000 1.200 1.200 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.17744E-02 ppm1 4.059 ppm2 1.070 CV 1 OR { 1657} (( segid " " and resid 2428 and name HA )) ( segid " " and resid 2407 and name HD1%) ASSI { 1659} ( segid " " and resid 2470 and name HD2%) ( segid " " and resid 2470 and name HD1%) 2.900 1.000 1.000 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.22242E-02 ppm1 1.006 ppm2 1.075 CV 1 ASSI { 1661} ( segid " " and resid 2438 and name HD1%) ( segid " " and resid 2400 and name HG1%) 3.400 1.500 1.500 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.15619E-02 ppm1 0.949 ppm2 1.086 CV 1 ASSI { 1663} ( segid " " and resid 2400 and name HG2%) ( segid " " and resid 2400 and name HG1%) 2.500 0.800 0.800 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.50732E-02 ppm1 0.934 ppm2 1.078 CV 1 ASSI { 1668} ( segid " " and resid 2345 and name HG2%) ( segid " " and resid 2415 and name HG1%) 4.300 2.300 1.700 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.51232E-03 ppm1 0.831 ppm2 1.077 CV 1 ASSI { 1670} ( segid " " and resid 2302 and name HG2%) ( segid " " and resid 2371 and name HG2%) 3.900 1.900 1.900 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.53731E-03 ppm1 1.349 ppm2 1.089 CV 1 ASSI { 1673} ( segid " " and resid 2440 and name HG1%) ( segid " " and resid 2440 and name HG2%) 2.400 0.700 0.700 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.10234E-01 ppm1 1.180 ppm2 1.068 CV 1 ASSI { 1684} ( segid " " and resid 2463 and name HG2%) ( segid " " and resid 2359 and name HD1%) 3.700 1.700 1.700 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.62478E-03 ppm1 1.172 ppm2 1.024 CV 1 ASSI { 1685} ( segid " " and resid 2415 and name HG2%) ( segid " " and resid 2326 and name HD1%) 3.300 1.300 1.300 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.12745E-02 ppm1 1.188 ppm2 1.025 CV 1 ASSI { 1692} (( segid " " and resid 2326 and name HA )) ( segid " " and resid 2326 and name HD1%) 5.200 3.300 0.800 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.39986E-03 ppm1 4.365 ppm2 1.034 CV 1 ASSI { 1702} ( segid " " and resid 2384 and name HD2%) ( segid " " and resid 2384 and name HD1%) 2.400 0.700 0.700 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.11671E-01 ppm1 0.966 ppm2 1.040 CV 1 ASSI { 1703} ( segid " " and resid 2415 and name HG1%) ( segid " " and resid 2346 and name HD2%) 3.800 1.800 1.800 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.61228E-03 ppm1 1.083 ppm2 1.029 CV 1 OR { 1703} ( segid " " and resid 2415 and name HG1%) ( segid " " and resid 2346 and name HD1%) ASSI { 1704} (( segid " " and resid 2346 and name HB3 )) ( segid " " and resid 2346 and name HD2%) 3.400 1.500 1.500 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.10372E-02 ppm1 1.912 ppm2 1.019 CV 1 OR { 1704} (( segid " " and resid 2346 and name HB3 )) ( segid " " and resid 2346 and name HD1%) ASSI { 1705} (( segid " " and resid 2384 and name HB3 )) ( segid " " and resid 2384 and name HD1%) 2.700 0.900 0.900 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.37987E-02 ppm1 1.807 ppm2 1.029 CV 1 ASSI { 1709} ( segid " " and resid 2323 and name HD2%) ( segid " " and resid 2346 and name HD1%) 3.400 1.400 1.400 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 0.965 ppm2 1.039 CV 1 ASSI { 1723} ( segid " " and resid 2394 and name HG2%) ( segid " " and resid 2304 and name HG2%) 3.400 3.400 2.600 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.51232E-03 ppm1 0.883 ppm2 1.025 CV 1 ASSI { 1724} ( segid " " and resid 2394 and name HD1%) ( segid " " and resid 2304 and name HG2%) 3.000 1.200 1.200 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.91218E-03 ppm1 0.860 ppm2 1.026 CV 1 ASSI { 1737} ( segid " " and resid 2474 and name HB% ) ( segid " " and resid 2425 and name HG2%) 3.300 1.400 1.400 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.54980E-03 ppm1 1.574 ppm2 1.040 CV 1 ASSI { 1743} ( segid " " and resid 2345 and name HG2%) (( segid " " and resid 2345 and name HG12)) 3.400 1.500 1.500 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.27740E-02 ppm1 0.832 ppm2 1.002 CV 1 ASSI { 1744} ( segid " " and resid 2345 and name HD1%) (( segid " " and resid 2345 and name HG12)) 2.500 0.800 0.800 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.34113E-02 ppm1 0.673 ppm2 1.005 CV 1 ASSI { 1755} ( segid " " and resid 2419 and name HB% ) ( segid " " and resid 2424 and name HD2%) 3.700 1.700 1.700 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.11121E-02 ppm1 1.514 ppm2 1.000 CV 1 ASSI { 1761} ( segid " " and resid 2436 and name HB% ) ( segid " " and resid 2439 and name HD1%) 4.300 2.300 1.700 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.92470E-03 ppm1 1.649 ppm2 0.995 CV 1 ASSI { 1764} (( segid " " and resid 2359 and name HB3 )) ( segid " " and resid 2359 and name HD1%) 2.800 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.47733E-02 ppm1 1.657 ppm2 0.993 CV 1 ASSI { 1765} (( segid " " and resid 2328 and name HB3 )) ( segid " " and resid 2346 and name HD2%) 3.200 1.300 1.300 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 2.344 ppm2 1.003 CV 1 ASSI { 1768} ( segid " " and resid 2310 and name HD2%) ( segid " " and resid 2310 and name HD1%) 2.500 0.800 0.800 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.80722E-02 ppm1 1.033 ppm2 0.984 CV 1 ASSI { 1797} ( segid " " and resid 2309 and name HD2%) ( segid " " and resid 2438 and name HD1%) 3.500 1.500 1.500 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.88719E-03 ppm1 0.837 ppm2 0.964 CV 1 ASSI { 1798} ( segid " " and resid 2360 and name HG2%) ( segid " " and resid 2438 and name HD1%) 4.200 2.200 1.800 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.46234E-03 ppm1 1.114 ppm2 0.953 CV 1 ASSI { 1803} (( segid " " and resid 2384 and name HB3 )) ( segid " " and resid 2384 and name HD2%) 3.800 1.800 1.800 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.18619E-02 ppm1 1.814 ppm2 0.962 CV 1 ASSI { 1805} (( segid " " and resid 2384 and name HB2 )) ( segid " " and resid 2384 and name HD2%) 2.900 1.000 1.000 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.23866E-02 ppm1 1.758 ppm2 0.962 CV 1 ASSI { 1808} ( segid " " and resid 2415 and name HG2%) ( segid " " and resid 2326 and name HD2%) 3.900 1.900 1.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.88719E-03 ppm1 1.189 ppm2 0.956 CV 1 ASSI { 1811} ( segid " " and resid 2415 and name HG1%) ( segid " " and resid 2326 and name HD2%) 3.600 1.600 1.600 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 1.082 ppm2 0.958 CV 1 ASSI { 1817} ( segid " " and resid 2431 and name HG2%) ( segid " " and resid 2352 and name HD1%) 5.000 3.100 1.000 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.42485E-03 ppm1 1.118 ppm2 0.972 CV 1 ASSI { 1820} ( segid " " and resid 2466 and name HB% ) ( segid " " and resid 2352 and name HD1%) 3.600 1.600 1.600 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.11246E-02 ppm1 1.570 ppm2 0.971 CV 1 ASSI { 1821} ( segid " " and resid 2348 and name HB% ) ( segid " " and resid 2352 and name HD1%) 3.500 1.600 1.600 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.77474E-03 ppm1 1.615 ppm2 0.970 CV 1 ASSI { 1823} (( segid " " and resid 2428 and name HA )) ( segid " " and resid 2352 and name HD1%) 3.400 1.400 1.400 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.21742E-02 ppm1 4.069 ppm2 0.972 CV 1 ASSI { 1830} (( segid " " and resid 2422 and name HA )) ( segid " " and resid 2425 and name HD1%) 3.100 1.200 1.200 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.21617E-02 ppm1 4.106 ppm2 0.956 CV 1 ASSI { 1838} ( segid " " and resid 2378 and name HB% ) ( segid " " and resid 2379 and name HD1%) 4.300 2.300 1.700 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.43734E-03 ppm1 1.485 ppm2 0.953 CV 1 ASSI { 1851} (( segid " " and resid 2339 and name HG )) ( segid " " and resid 2339 and name HD2%) 2.500 0.800 0.800 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.52856E-02 ppm1 1.725 ppm2 0.924 CV 1 ASSI { 1852} (( segid " " and resid 2339 and name HB3 )) ( segid " " and resid 2339 and name HD2%) 3.400 1.400 1.400 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.13495E-02 ppm1 1.721 ppm2 0.928 CV 1 OR { 1852} (( segid " " and resid 2339 and name HB2 )) ( segid " " and resid 2339 and name HD2%) ASSI { 1866} ( segid " " and resid 2463 and name HG1%) ( segid " " and resid 2431 and name HG1%) 2.500 0.800 0.800 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.33738E-02 ppm1 0.997 ppm2 0.916 CV 1 ASSI { 1867} ( segid " " and resid 2352 and name HG2%) ( segid " " and resid 2431 and name HG1%) 2.900 1.000 1.000 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.22742E-02 ppm1 1.048 ppm2 0.916 CV 1 ASSI { 1873} ( segid " " and resid 2407 and name HD1%) ( segid " " and resid 2431 and name HG1%) 4.600 2.600 1.400 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.48733E-03 ppm1 1.085 ppm2 0.917 CV 1 ASSI { 1879} (( segid " " and resid 2359 and name HG )) ( segid " " and resid 2438 and name HD2%) 3.100 1.200 1.200 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.15745E-02 ppm1 1.651 ppm2 0.902 CV 1 ASSI { 1880} ( segid " " and resid 2359 and name HD1%) ( segid " " and resid 2438 and name HD2%) 3.900 1.900 1.900 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.57479E-03 ppm1 1.029 ppm2 0.894 CV 1 ASSI { 1884} ( segid " " and resid 2360 and name HG2%) ( segid " " and resid 2438 and name HD2%) 3.700 1.700 1.700 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.84969E-03 ppm1 1.115 ppm2 0.903 CV 1 OR { 1884} ( segid " " and resid 2360 and name HG1%) ( segid " " and resid 2438 and name HD2%) ASSI { 1887} ( segid " " and resid 2470 and name HD1%) ( segid " " and resid 2424 and name HD1%) 4.000 2.000 2.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.99965E-03 ppm1 1.067 ppm2 0.895 CV 1 ASSI { 1894} ( segid " " and resid 2474 and name HB% ) ( segid " " and resid 2424 and name HD1%) 3.400 1.500 1.500 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.44984E-03 ppm1 1.572 ppm2 0.891 CV 1 ASSI { 1895} ( segid " " and resid 2302 and name HG2%) ( segid " " and resid 2376 and name HG1%) 3.700 1.700 1.700 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.76221E-03 ppm1 1.348 ppm2 0.888 CV 1 ASSI { 1912} (( segid " " and resid 2364 and name HB3 )) ( segid " " and resid 2309 and name HD1%) 4.000 2.000 2.000 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.11996E-02 ppm1 4.174 ppm2 0.853 CV 1 ASSI { 1916} ( segid " " and resid 2305 and name HB% ) ( segid " " and resid 2309 and name HD1%) 3.700 1.700 1.700 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.57479E-03 ppm1 1.472 ppm2 0.849 CV 1 ASSI { 1918} ( segid " " and resid 2393 and name HD1%) ( segid " " and resid 2309 and name HD2%) 4.100 2.100 1.900 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.44984E-03 ppm1 0.581 ppm2 0.839 CV 1 ASSI { 1919} ( segid " " and resid 2360 and name HG2%) ( segid " " and resid 2309 and name HD2%) 3.100 1.200 1.200 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.17868E-02 ppm1 1.114 ppm2 0.842 CV 1 ASSI { 1923} (( segid " " and resid 2375 and name HE2 )) ( segid " " and resid 2370 and name HD1%) 3.000 1.100 1.100 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.99965E-03 ppm1 3.083 ppm2 0.848 CV 1 OR { 1923} (( segid " " and resid 2375 and name HE3 )) ( segid " " and resid 2370 and name HD1%) ASSI { 1926} ( segid " " and resid 2415 and name HG2%) ( segid " " and resid 2345 and name HG2%) 3.300 1.400 1.400 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.56230E-03 ppm1 1.188 ppm2 0.836 CV 1 ASSI { 1927} ( segid " " and resid 2428 and name HB% ) ( segid " " and resid 2345 and name HG2%) 4.900 3.000 1.100 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.53731E-03 ppm1 1.686 ppm2 0.845 CV 1 ASSI { 1928} ( segid " " and resid 2348 and name HB% ) ( segid " " and resid 2345 and name HG2%) 5.000 3.100 1.000 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.67474E-03 ppm1 1.604 ppm2 0.839 CV 1 ASSI { 1934} ( segid " " and resid 2360 and name HG1%) ( segid " " and resid 2316 and name HD1%) 3.100 1.200 1.200 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.17369E-02 ppm1 1.115 ppm2 0.851 CV 1 OR { 1934} ( segid " " and resid 2360 and name HG2%) ( segid " " and resid 2316 and name HD1%) ASSI { 1952} (( segid " " and resid 2370 and name HA )) ( segid " " and resid 2370 and name HD2%) 3.600 1.700 1.700 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 4.141 ppm2 0.821 CV 1 ASSI { 1960} ( segid " " and resid 2407 and name HD2%) ( segid " " and resid 2345 and name HG2%) 4.500 2.600 1.500 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.46234E-03 ppm1 1.051 ppm2 0.828 CV 1 ASSI { 1961} ( segid " " and resid 2424 and name HD1%) ( segid " " and resid 2345 and name HG2%) 3.000 1.100 1.100 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.19868E-02 ppm1 0.898 ppm2 0.831 CV 1 ASSI { 1964} ( segid " " and resid 2410 and name HB% ) ( segid " " and resid 2345 and name HG2%) 4.000 2.000 2.000 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.48733E-03 ppm1 1.570 ppm2 0.820 CV 1 ASSI { 1972} ( segid " " and resid 2309 and name HD1%) ( segid " " and resid 2393 and name HD2%) 3.300 1.300 1.300 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.12621E-02 ppm1 0.849 ppm2 0.657 CV 1 ASSI { 1977} ( segid " " and resid 2309 and name HD2%) ( segid " " and resid 2393 and name HD2%) 3.700 1.700 1.700 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.78720E-03 ppm1 0.837 ppm2 0.659 CV 1 ASSI { 1986} ( segid " " and resid 2477 and name HB% ) ( segid " " and resid 2345 and name HD1%) 3.200 1.300 1.300 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.68726E-03 ppm1 1.296 ppm2 0.673 CV 1 ASSI { 1987} ( segid " " and resid 2473 and name HB% ) ( segid " " and resid 2345 and name HD1%) 3.200 1.200 1.200 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.11996E-02 ppm1 1.569 ppm2 0.668 CV 1 ASSI { 1988} ( segid " " and resid 2345 and name HG2%) ( segid " " and resid 2345 and name HD1%) 2.700 0.900 0.900 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.30239E-02 ppm1 0.831 ppm2 0.669 CV 1 ASSI { 1992} ( segid " " and resid 2438 and name HD2%) ( segid " " and resid 2393 and name HD1%) 3.300 1.400 1.400 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.57479E-03 ppm1 0.902 ppm2 0.589 CV 1 ASSI { 1993} ( segid " " and resid 2438 and name HD1%) ( segid " " and resid 2393 and name HD1%) 2.800 1.000 1.000 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.27740E-02 ppm1 0.949 ppm2 0.592 CV 1 ASSI { 1996} ( segid " " and resid 2396 and name HB% ) ( segid " " and resid 2393 and name HD1%) 4.100 2.100 1.900 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.57479E-03 ppm1 1.486 ppm2 0.593 CV 1 ASSI { 1999} ( segid " " and resid 2393 and name HD2%) ( segid " " and resid 2393 and name HD1%) 2.700 0.900 0.900 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.42110E-02 ppm1 0.660 ppm2 0.583 CV 1 ASSI { 2000} ( segid " " and resid 2309 and name HD1%) ( segid " " and resid 2393 and name HD1%) 3.800 1.900 1.900 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.69972E-03 ppm1 0.847 ppm2 0.587 CV 1
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