NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
21062 | 2h2m | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 3} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.18728E-02 ppm1 0.841 ppm2 3.454 CV 1 ASSI { 4} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 105 and name HG13)) 2.400 0.700 0.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.61669E-02 ppm1 0.838 ppm2 1.460 CV 1 ASSI { 5} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 105 and name HB )) 2.800 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.28560E-02 ppm1 0.839 ppm2 1.852 CV 1 ASSI { 6} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 105 and name HG12)) 2.100 0.500 0.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.15139E-01 ppm1 0.840 ppm2 1.183 CV 1 ASSI { 7} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 105 and name HA )) 2.700 0.900 0.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.64449E-02 ppm1 0.843 ppm2 4.111 CV 1 ASSI { 8} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 30 and name HG12)) 2.300 0.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.77340E-02 ppm1 0.846 ppm2 1.541 CV 1 ASSI { 10} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HG13)) 2.200 0.600 0.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.79617E-02 ppm1 0.782 ppm2 1.133 CV 1 ASSI { 11} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HG12)) 2.200 0.600 0.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.71020E-02 ppm1 0.782 ppm2 1.802 CV 1 ASSI { 12} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HB )) 2.400 0.700 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.43471E-02 ppm1 0.782 ppm2 2.013 CV 1 ASSI { 13} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 55 and name HA )) 2.700 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.24617E-02 ppm1 0.783 ppm2 4.232 CV 1 ASSI { 14} ( segid " " and resid 94 and name HD1%) ( segid " " and resid 16 and name HD1%) 2.900 1.000 1.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.10944E-02 ppm1 0.822 ppm2 0.556 CV 1 ASSI { 15} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 91 and name HA )) 2.700 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.29570E-02 ppm1 0.823 ppm2 3.874 CV 1 ASSI { 16} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 94 and name HA )) 3.800 1.800 1.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.13901E-02 ppm1 0.820 ppm2 3.696 CV 1 ASSI { 17} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 55 and name HA )) 3.200 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10817E-02 ppm1 0.817 ppm2 4.225 CV 1 ASSI { 18} ( segid " " and resid 94 and name HD1%) ( segid " " and resid 12 and name HD2%) 2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.38164E-02 ppm1 0.825 ppm2 1.144 CV 1 ASSI { 19} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 55 and name HG3 )) 2.900 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.22747E-02 ppm1 0.824 ppm2 1.746 CV 1 ASSI { 20} ( segid " " and resid 94 and name HD1%) ( segid " " and resid 12 and name HD1%) 2.800 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.24819E-02 ppm1 0.824 ppm2 1.280 CV 1 ASSI { 21} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 94 and name HG12)) 1.900 0.500 0.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.18804E-01 ppm1 0.823 ppm2 0.942 CV 1 OR { 21} ( segid " " and resid 94 and name HD1%) ( segid " " and resid 94 and name HG2%) ASSI { 22} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 94 and name HG13)) 2.300 0.600 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.58888E-02 ppm1 0.823 ppm2 1.984 CV 1 ASSI { 23} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 94 and name HB )) 2.500 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.36142E-02 ppm1 0.824 ppm2 1.899 CV 1 ASSI { 24} ( segid " " and resid 94 and name HD1%) ( segid " " and resid 86 and name HD1%) 2.200 0.600 0.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.70012E-02 ppm1 0.824 ppm2 0.708 CV 1 ASSI { 25} ( segid " " and resid 94 and name HD1%) ( segid " " and resid 91 and name HB% ) 2.600 2.600 3.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.19789E-02 ppm1 0.823 ppm2 1.479 CV 1 ASSI { 26} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 86 and name HB )) 3.800 1.800 1.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.79865E-03 ppm1 0.824 ppm2 2.300 CV 1 ASSI { 28} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 79 and name HB3 )) 3.200 1.200 1.200 peak 28 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 0.685 ppm2 1.848 CV 1 ASSI { 29} ( segid " " and resid 86 and name HD1%) ( segid " " and resid 80 and name HG2%) 2.800 1.000 1.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.35131E-02 ppm1 0.686 ppm2 1.195 CV 1 ASSI { 30} ( segid " " and resid 86 and name HD1%) ( segid " " and resid 91 and name HB% ) 2.700 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 0.686 ppm2 1.479 CV 1 ASSI { 31} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HG13)) 2.200 0.600 0.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.66471E-02 ppm1 0.686 ppm2 1.347 CV 1 ASSI { 32} ( segid " " and resid 86 and name HD1%) ( segid " " and resid 86 and name HG2%) 1.800 0.400 0.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.26538E-01 ppm1 0.686 ppm2 0.771 CV 1 ASSI { 33} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HB )) 2.600 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.29824E-02 ppm1 0.686 ppm2 2.306 CV 1 ASSI { 34} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 90 and name HB2 )) 3.300 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.10691E-02 ppm1 0.687 ppm2 2.608 CV 1 ASSI { 35} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 79 and name HB2 )) 2.900 1.000 1.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.22090E-02 ppm1 0.686 ppm2 2.149 CV 1 ASSI { 36} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 55 and name HG3 )) 3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.17212E-02 ppm1 0.686 ppm2 1.750 CV 1 ASSI { 37} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 91 and name HA )) 2.500 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.32856E-02 ppm1 0.686 ppm2 3.870 CV 1 ASSI { 38} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 80 and name HA )) 3.100 3.100 2.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.66471E-03 ppm1 0.685 ppm2 4.970 CV 1 ASSI { 39} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HA )) 4.600 2.600 1.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.69502E-03 ppm1 0.688 ppm2 4.898 CV 1 ASSI { 40} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HG13)) 2.300 0.700 0.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.64701E-02 ppm1 0.565 ppm2 0.799 CV 1 ASSI { 41} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HA )) 3.300 1.300 1.300 peak 41 spectrum 1 weight 0.10000E+01 volume 0.35637E-02 ppm1 0.563 ppm2 3.237 CV 1 ASSI { 42} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 62 and name HG2%) 2.700 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.32604E-02 ppm1 0.565 ppm2 -0.479 CV 1 ASSI { 44} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 72 and name HD2%) 3.000 1.100 1.100 peak 44 spectrum 1 weight 0.10000E+01 volume 0.27801E-02 ppm1 0.565 ppm2 0.890 CV 1 ASSI { 46} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 58 and name HG2%) 2.200 0.600 0.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.90988E-02 ppm1 0.564 ppm2 0.965 CV 1 ASSI { 48} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HG12)) 2.400 0.700 0.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.49790E-02 ppm1 0.565 ppm2 1.454 CV 1 ASSI { 49} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HG12)) 2.900 1.100 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.17464E-02 ppm1 -0.516 ppm2 1.441 CV 1 ASSI { 50} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HB )) 2.800 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.25274E-02 ppm1 -0.505 ppm2 1.231 CV 1 ASSI { 52} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HA )) 3.100 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.14988E-02 ppm1 -0.501 ppm2 3.238 CV 1 ASSI { 54} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 72 and name HD1%) 3.800 1.800 1.800 peak 54 spectrum 1 weight 0.10000E+01 volume 0.92505E-03 ppm1 -0.499 ppm2 1.653 CV 1 ASSI { 55} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HG13)) 4.200 2.200 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.65460E-03 ppm1 -0.508 ppm2 0.772 CV 1 ASSI { 56} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 75 and name HB3 )) 3.200 3.200 2.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.54339E-03 ppm1 1.506 ppm2 3.206 CV 1 ASSI { 58} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 75 and name HB2 )) 3.400 1.400 1.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.41702E-03 ppm1 1.504 ppm2 3.298 CV 1 ASSI { 59} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 75 and name HA )) 3.000 1.100 1.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.19436E-02 ppm1 1.504 ppm2 4.459 CV 1 ASSI { 60} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 78 and name HA )) 2.300 0.700 0.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.87448E-02 ppm1 1.504 ppm2 4.085 CV 1 ASSI { 61} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 82 and name HB3 )) 2.100 2.100 3.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.16984E-01 ppm1 1.504 ppm2 1.605 CV 1 OR { 61} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 82 and name HD3 )) OR { 61} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 82 and name HD2 )) ASSI { 63} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 79 and name HA )) 3.700 1.700 1.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.61922E-03 ppm1 1.505 ppm2 3.828 CV 1 ASSI { 64} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 79 and name HG3 )) 3.000 1.100 1.100 peak 64 spectrum 1 weight 0.10000E+01 volume 0.42713E-02 ppm1 1.505 ppm2 1.400 CV 1 ASSI { 66} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 105 and name HB )) 2.500 0.800 0.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.49790E-02 ppm1 0.877 ppm2 1.848 CV 1 ASSI { 68} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 105 and name HG13)) 3.100 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 0.878 ppm2 1.461 CV 1 ASSI { 69} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 105 and name HG12)) 1.800 0.400 0.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.29065E-01 ppm1 0.878 ppm2 1.179 CV 1 ASSI { 71} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 106 and name HG3 )) 3.200 1.300 1.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.20067E-02 ppm1 0.878 ppm2 1.657 CV 1 OR { 71} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 106 and name HG2 )) ASSI { 72} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HB )) 2.300 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.54087E-02 ppm1 0.980 ppm2 2.016 CV 1 ASSI { 73} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HG12)) 2.400 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.35131E-02 ppm1 0.980 ppm2 1.799 CV 1 ASSI { 77} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 16 and name HB3 )) 2.700 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.56867E-02 ppm1 0.981 ppm2 1.259 CV 1 ASSI { 78} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HA )) 2.500 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.36142E-02 ppm1 0.981 ppm2 3.890 CV 1 ASSI { 79} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 101 and name HA )) 2.500 0.800 0.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.65207E-02 ppm1 0.888 ppm2 4.186 CV 1 ASSI { 80} ( segid " " and resid 53 and name HB% ) (( segid " " and resid 53 and name HA )) 2.300 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.86944E-02 ppm1 1.413 ppm2 3.931 CV 1 ASSI { 83} ( segid " " and resid 74 and name HB% ) (( segid " " and resid 74 and name HA )) 2.300 0.700 0.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.99833E-02 ppm1 1.581 ppm2 4.198 CV 1 ASSI { 84} ( segid " " and resid 91 and name HB% ) ( segid " " and resid 86 and name HD1%) 2.700 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.33867E-02 ppm1 1.476 ppm2 0.690 CV 1 OR { 84} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 86 and name HG12)) ASSI { 85} ( segid " " and resid 91 and name HB% ) ( segid " " and resid 76 and name HD2%) 3.500 1.600 1.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.19259E-02 ppm1 1.476 ppm2 1.028 CV 1 ASSI { 87} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 93 and name HA )) 3.800 1.800 1.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.64196E-03 ppm1 1.644 ppm2 3.746 CV 1 ASSI { 88} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 91 and name HA )) 2.300 0.700 0.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.59899E-02 ppm1 1.476 ppm2 3.867 CV 1 ASSI { 91} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 76 and name HG )) 3.100 1.200 1.200 peak 91 spectrum 1 weight 0.10000E+01 volume 0.32604E-02 ppm1 1.477 ppm2 2.137 CV 1 OR { 91} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 76 and name HB3 )) ASSI { 92} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 94 and name HB )) 3.400 1.400 1.400 peak 92 spectrum 1 weight 0.10000E+01 volume 0.18298E-02 ppm1 1.478 ppm2 1.883 CV 1 ASSI { 93} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 88 and name HA )) 2.500 0.800 0.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.52823E-02 ppm1 1.477 ppm2 4.180 CV 1 ASSI { 95} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 89 and name HA )) 2.800 1.000 1.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.32098E-02 ppm1 1.642 ppm2 4.566 CV 1 ASSI { 96} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 96 and name HE2 )) 3.600 1.600 1.600 peak 96 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 1.643 ppm2 3.041 CV 1 OR { 96} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 96 and name HE3 )) ASSI { 97} ( segid " " and resid 92 and name HB% ) ( segid " " and resid 93 and name HG2%) 4.400 2.400 1.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.33614E-03 ppm1 1.646 ppm2 1.281 CV 1 ASSI { 99} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 89 and name HB2 )) 2.700 2.700 3.300 peak 99 spectrum 1 weight 0.10000E+01 volume 0.15619E-02 ppm1 1.643 ppm2 2.708 CV 1 OR { 99} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 89 and name HB3 )) ASSI { 101} ( segid " " and resid 86 and name HG2%) (( segid " " and resid 79 and name HB2 )) 3.700 1.700 1.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.78099E-03 ppm1 0.762 ppm2 2.163 CV 1 ASSI { 102} ( segid " " and resid 86 and name HG2%) (( segid " " and resid 54 and name HB2 )) 2.800 1.000 1.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.19689E-02 ppm1 0.760 ppm2 1.902 CV 1 OR { 102} ( segid " " and resid 86 and name HG2%) (( segid " " and resid 54 and name HB3 )) ASSI { 105} ( segid " " and resid 86 and name HG2%) (( segid " " and resid 55 and name HG3 )) 2.400 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.60911E-02 ppm1 0.760 ppm2 1.742 CV 1 ASSI { 106} ( segid " " and resid 86 and name HG2%) ( segid " " and resid 86 and name HD1%) 2.500 0.800 0.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.40186E-02 ppm1 0.761 ppm2 0.692 CV 1 OR { 106} ( segid " " and resid 86 and name HG2%) (( segid " " and resid 86 and name HG12)) ASSI { 107} ( segid " " and resid 86 and name HG2%) (( segid " " and resid 86 and name HB )) 2.400 0.700 0.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.39175E-02 ppm1 0.760 ppm2 2.305 CV 1 ASSI { 108} ( segid " " and resid 86 and name HG2%) (( segid " " and resid 90 and name HB2 )) 4.100 2.100 1.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.10666E-02 ppm1 0.761 ppm2 2.617 CV 1 ASSI { 110} ( segid " " and resid 86 and name HG2%) (( segid " " and resid 86 and name HA )) 2.600 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.38417E-02 ppm1 0.760 ppm2 4.903 CV 1 ASSI { 113} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 17 and name HA )) 3.000 1.100 1.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.21129E-02 ppm1 1.689 ppm2 4.486 CV 1 ASSI { 114} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 30 and name HG13)) 3.000 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.79361E-02 ppm1 1.691 ppm2 1.200 CV 1 ASSI { 115} ( segid " " and resid 20 and name HB% ) ( segid " " and resid 23 and name HG2%) 2.400 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.68494E-02 ppm1 1.692 ppm2 0.984 CV 1 ASSI { 116} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 20 and name HA )) 2.400 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.70516E-02 ppm1 1.686 ppm2 4.053 CV 1 ASSI { 118} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 38 and name HG2 )) 3.700 1.700 1.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.15948E-02 ppm1 1.584 ppm2 2.529 CV 1 ASSI { 119} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 15 and name HD1%) 2.900 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.27296E-02 ppm1 1.586 ppm2 1.205 CV 1 ASSI { 121} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 35 and name HB2 )) 2.600 0.900 0.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.22468E-02 ppm1 1.588 ppm2 2.183 CV 1 ASSI { 123} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HA )) 2.200 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.89725E-02 ppm1 1.586 ppm2 4.316 CV 1 ASSI { 125} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 39 and name HD1%) 2.300 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.64449E-02 ppm1 1.578 ppm2 0.987 CV 1 ASSI { 126} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 95 and name HB2 )) 3.800 1.800 1.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.11424E-02 ppm1 0.954 ppm2 4.044 CV 1 OR { 126} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 95 and name HB3 )) ASSI { 127} ( segid " " and resid 94 and name HG2%) ( segid " " and resid 94 and name HD1%) 2.600 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.32098E-02 ppm1 0.952 ppm2 0.831 CV 1 ASSI { 128} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 97 and name HB3 )) 3.300 1.300 1.300 peak 128 spectrum 1 weight 0.10000E+01 volume 0.77588E-03 ppm1 0.950 ppm2 3.390 CV 1 ASSI { 129} ( segid " " and resid 94 and name HG2%) ( segid " " and resid 16 and name HD1%) 2.400 0.700 0.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.77085E-02 ppm1 0.952 ppm2 0.565 CV 1 ASSI { 130} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 94 and name HA )) 2.800 0.900 0.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.25780E-02 ppm1 0.951 ppm2 3.697 CV 1 ASSI { 131} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 94 and name HB )) 2.400 0.700 0.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.45746E-02 ppm1 0.952 ppm2 1.894 CV 1 ASSI { 132} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 3 and name HA )) 2.500 0.800 0.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.55603E-02 ppm1 1.433 ppm2 4.296 CV 1 ASSI { 134} ( segid " " and resid 63 and name HB% ) (( segid " " and resid 59 and name HB3 )) 1.700 1.700 4.300 peak 134 spectrum 1 weight 0.10000E+01 volume 0.28054E-01 ppm1 1.431 ppm2 1.538 CV 1 ASSI { 135} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 97 and name HB2 )) 3.900 1.900 1.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.11474E-02 ppm1 0.952 ppm2 3.506 CV 1 ASSI { 137} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 97 and name HA )) 4.400 2.400 1.600 peak 137 spectrum 1 weight 0.10000E+01 volume 0.43724E-03 ppm1 0.957 ppm2 4.360 CV 1 ASSI { 138} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 1 and name HA )) 3.500 1.500 1.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.37658E-03 ppm1 1.443 ppm2 4.149 CV 1 ASSI { 141} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 61 and name HA )) 3.400 1.500 1.500 peak 141 spectrum 1 weight 0.10000E+01 volume 0.74055E-03 ppm1 1.319 ppm2 3.969 CV 1 ASSI { 142} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 67 and name HG3 )) 3.100 1.200 1.200 peak 142 spectrum 1 weight 0.10000E+01 volume 0.31087E-02 ppm1 1.318 ppm2 2.287 CV 1 ASSI { 143} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 67 and name HG2 )) 2.600 0.800 0.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.33362E-02 ppm1 1.318 ppm2 2.652 CV 1 ASSI { 144} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 67 and name HA )) 3.600 1.600 1.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.10211E-02 ppm1 1.318 ppm2 4.111 CV 1 ASSI { 145} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HA )) 2.400 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.67990E-02 ppm1 1.318 ppm2 4.397 CV 1 ASSI { 146} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 62 and name HA )) 3.400 1.400 1.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.16049E-02 ppm1 1.317 ppm2 3.225 CV 1 ASSI { 147} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 86 and name HG12)) 3.200 1.300 1.300 peak 147 spectrum 1 weight 0.10000E+01 volume 0.15569E-02 ppm1 1.192 ppm2 0.687 CV 1 OR { 147} ( segid " " and resid 80 and name HG2%) ( segid " " and resid 86 and name HD1%) ASSI { 149} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 43 and name HA )) 3.200 1.300 1.300 peak 149 spectrum 1 weight 0.10000E+01 volume 0.15367E-02 ppm1 1.099 ppm2 4.357 CV 1 ASSI { 150} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 80 and name HA )) 2.800 1.000 1.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.31593E-02 ppm1 1.193 ppm2 4.974 CV 1 ASSI { 151} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 87 and name HA )) 3.800 1.800 1.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.54844E-03 ppm1 1.194 ppm2 4.759 CV 1 ASSI { 153} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 48 and name HB3 )) 2.700 0.900 0.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.36648E-02 ppm1 1.099 ppm2 2.999 CV 1 OR { 153} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 48 and name HB2 )) ASSI { 154} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 40 and name HB2 )) 3.500 1.500 1.500 peak 154 spectrum 1 weight 0.10000E+01 volume 0.68494E-03 ppm1 1.099 ppm2 3.210 CV 1 ASSI { 155} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 43 and name HB )) 2.400 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.48274E-02 ppm1 1.100 ppm2 2.336 CV 1 ASSI { 156} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 48 and name HA )) 4.500 2.500 1.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.17085E-03 ppm1 1.101 ppm2 4.227 CV 1 ASSI { 157} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 44 and name HD3 )) 3.400 1.500 1.500 peak 157 spectrum 1 weight 0.10000E+01 volume 0.21129E-02 ppm1 1.100 ppm2 3.789 CV 1 ASSI { 160} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 44 and name HD2 )) 2.900 1.000 1.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.21053E-02 ppm1 1.100 ppm2 4.128 CV 1 ASSI { 161} ( segid " " and resid 80 and name HG2%) ( segid " " and resid 91 and name HB% ) 2.300 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.77340E-02 ppm1 1.193 ppm2 1.479 CV 1 ASSI { 162} ( segid " " and resid 43 and name HG1%) ( segid " " and resid 6 and name HD2%) 4.100 2.100 1.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.36142E-03 ppm1 1.103 ppm2 0.675 CV 1 ASSI { 165} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 21 and name HA )) 3.200 3.200 2.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.58636E-03 ppm1 0.991 ppm2 4.332 CV 1 ASSI { 169} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 59 and name HB3 )) 3.500 1.600 1.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.17464E-02 ppm1 0.548 ppm2 1.562 CV 1 ASSI { 171} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 16 and name HB3 )) 2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.74814E-02 ppm1 0.546 ppm2 1.275 CV 1 ASSI { 173} ( segid " " and resid 16 and name HD1%) ( segid " " and resid 94 and name HG2%) 2.700 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.33867E-02 ppm1 0.547 ppm2 0.938 CV 1 OR { 173} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 94 and name HG12)) ASSI { 174} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 16 and name HG )) 2.500 0.800 0.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.39933E-02 ppm1 0.546 ppm2 1.868 CV 1 ASSI { 175} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 59 and name HB2 )) 2.600 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.38669E-02 ppm1 0.547 ppm2 1.746 CV 1 OR { 175} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 59 and name HG )) ASSI { 176} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 16 and name HA )) 2.500 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.44230E-02 ppm1 0.546 ppm2 3.576 CV 1 ASSI { 177} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HA )) 2.500 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.83149E-02 ppm1 0.992 ppm2 4.002 CV 1 ASSI { 178} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 16 and name HB2 )) 3.400 1.500 1.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.16099E-02 ppm1 0.547 ppm2 0.027 CV 1 ASSI { 179} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 103 and name HB )) 2.400 0.700 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.73800E-02 ppm1 1.222 ppm2 4.224 CV 1 ASSI { 181} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 96 and name HD2 )) 4.700 2.800 1.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.23176E-03 ppm1 1.027 ppm2 1.757 CV 1 OR { 181} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 96 and name HD3 )) ASSI { 183} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 12 and name HG )) 2.300 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.77085E-02 ppm1 1.025 ppm2 1.661 CV 1 ASSI { 186} ( segid " " and resid 93 and name HG1%) ( segid " " and resid 93 and name HG2%) 2.400 0.700 0.700 peak 186 spectrum 1 weight 0.10000E+01 volume 0.63438E-02 ppm1 1.026 ppm2 1.280 CV 1 ASSI { 187} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 93 and name HA )) 2.800 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.33867E-02 ppm1 1.026 ppm2 3.749 CV 1 ASSI { 188} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 93 and name HB )) 2.400 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.45999E-02 ppm1 1.026 ppm2 2.373 CV 1 ASSI { 189} ( segid " " and resid 93 and name HG1%) ( segid " " and resid 16 and name HD2%) 3.200 1.300 1.300 peak 189 spectrum 1 weight 0.10000E+01 volume 0.16453E-02 ppm1 1.028 ppm2 0.639 CV 1 ASSI { 191} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 87 and name HB )) 2.300 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.79865E-02 ppm1 1.313 ppm2 4.842 CV 1 ASSI { 192} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 87 and name HA )) 2.800 1.000 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.38164E-02 ppm1 1.314 ppm2 4.771 CV 1 ASSI { 194} ( segid " " and resid 31 and name HG2%) (( segid " " and resid 31 and name HB )) 2.300 0.700 0.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.74304E-02 ppm1 1.282 ppm2 4.472 CV 1 ASSI { 195} ( segid " " and resid 31 and name HG2%) (( segid " " and resid 31 and name HA )) 2.700 0.900 0.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.36394E-02 ppm1 1.281 ppm2 4.365 CV 1 ASSI { 197} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HG )) 2.100 0.500 0.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.10286E-01 ppm1 0.814 ppm2 2.118 CV 1 OR { 197} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HB3 )) ASSI { 198} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 91 and name HB% ) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.45241E-02 ppm1 0.815 ppm2 1.479 CV 1 ASSI { 199} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HA )) 2.600 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.39175E-02 ppm1 0.813 ppm2 3.716 CV 1 ASSI { 201} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 91 and name HA )) 2.700 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.27801E-02 ppm1 0.811 ppm2 3.868 CV 1 ASSI { 203} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 15 and name HD1%) 2.900 1.100 1.100 peak 203 spectrum 1 weight 0.10000E+01 volume 0.16479E-02 ppm1 0.780 ppm2 1.199 CV 1 ASSI { 204} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HG )) 2.600 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.28054E-02 ppm1 0.779 ppm2 1.928 CV 1 ASSI { 207} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 43 and name HA )) 2.600 0.900 0.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.32856E-02 ppm1 1.074 ppm2 4.358 CV 1 ASSI { 210} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 42 and name HG3 )) 3.700 1.800 1.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.50801E-03 ppm1 1.074 ppm2 2.224 CV 1 ASSI { 212} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 44 and name HA )) 3.700 1.800 1.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.67480E-03 ppm1 1.076 ppm2 4.789 CV 1 ASSI { 214} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 44 and name HD3 )) 4.000 2.000 2.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.11196E-02 ppm1 1.074 ppm2 3.788 CV 1 ASSI { 215} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 43 and name HB )) 2.300 0.700 0.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.67990E-02 ppm1 1.074 ppm2 2.342 CV 1 ASSI { 216} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 14 and name HA2 )) 2.700 0.900 0.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.24213E-02 ppm1 0.960 ppm2 4.013 CV 1 ASSI { 217} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 39 and name HA )) 2.800 1.000 1.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.51054E-02 ppm1 0.958 ppm2 4.466 CV 1 ASSI { 218} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 39 and name HB2 )) 2.800 1.000 1.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.48274E-02 ppm1 0.960 ppm2 2.088 CV 1 ASSI { 219} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 11 and name HB2 )) 3.400 1.400 1.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.16555E-02 ppm1 0.960 ppm2 1.914 CV 1 ASSI { 220} ( segid " " and resid 43 and name HG2%) ( segid " " and resid 6 and name HD1%) 4.100 2.100 1.900 peak 220 spectrum 1 weight 0.10000E+01 volume 0.35637E-03 ppm1 1.076 ppm2 0.791 CV 1 ASSI { 221} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 39 and name HG )) 2.400 0.700 0.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.61669E-02 ppm1 0.959 ppm2 1.624 CV 1 ASSI { 222} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 14 and name HA1 )) 4.100 2.100 1.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.13421E-02 ppm1 0.957 ppm2 3.853 CV 1 ASSI { 223} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 39 and name HB3 )) 2.500 0.800 0.800 peak 223 spectrum 1 weight 0.10000E+01 volume 0.36900E-02 ppm1 0.960 ppm2 1.348 CV 1 ASSI { 224} ( segid " " and resid 43 and name HG2%) ( segid " " and resid 6 and name HD2%) 4.000 2.000 2.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.33614E-03 ppm1 1.079 ppm2 0.676 CV 1 ASSI { 225} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 44 and name HD2 )) 2.900 1.100 1.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.19663E-02 ppm1 1.075 ppm2 4.121 CV 1 ASSI { 228} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 12 and name HA )) 2.500 0.800 0.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.40944E-02 ppm1 1.274 ppm2 4.640 CV 1 ASSI { 229} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 55 and name HG2 )) 2.300 0.700 0.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.96038E-02 ppm1 1.275 ppm2 1.863 CV 1 ASSI { 232} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 12 and name HG )) 2.100 0.600 0.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.10792E-01 ppm1 1.276 ppm2 1.650 CV 1 ASSI { 233} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 36 and name HB3 )) 3.400 1.400 1.400 peak 233 spectrum 1 weight 0.10000E+01 volume 0.18500E-02 ppm1 0.830 ppm2 1.274 CV 1 OR { 233} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 36 and name HG3 )) ASSI { 235} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 35 and name HB3 )) 3.500 1.500 1.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.20649E-02 ppm1 0.830 ppm2 1.479 CV 1 ASSI { 236} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 35 and name HG )) 2.500 0.800 0.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.41197E-02 ppm1 0.829 ppm2 1.909 CV 1 ASSI { 237} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 93 and name HB )) 2.300 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.71275E-02 ppm1 1.277 ppm2 2.374 CV 1 ASSI { 238} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.19284E-02 ppm1 0.830 ppm2 2.188 CV 1 ASSI { 239} ( segid " " and resid 35 and name HD1%) ( segid " " and resid 18 and name HB% ) 2.600 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.52317E-02 ppm1 0.829 ppm2 1.589 CV 1 ASSI { 240} ( segid " " and resid 35 and name HD1%) ( segid " " and resid 15 and name HD1%) 3.000 1.100 1.100 peak 240 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 0.829 ppm2 1.199 CV 1 ASSI { 241} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 35 and name HA )) 2.900 1.000 1.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.49285E-02 ppm1 0.829 ppm2 4.010 CV 1 ASSI { 242} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 93 and name HA )) 2.500 0.800 0.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.50043E-02 ppm1 1.278 ppm2 3.752 CV 1 ASSI { 244} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 51 and name HB3 )) 2.700 0.900 0.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.27801E-02 ppm1 0.675 ppm2 2.906 CV 1 ASSI { 245} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 55 and name HG3 )) 3.500 1.500 1.500 peak 245 spectrum 1 weight 0.10000E+01 volume 0.90988E-03 ppm1 0.675 ppm2 1.763 CV 1 ASSI { 247} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 6 and name HA )) 3.100 1.200 1.200 peak 247 spectrum 1 weight 0.10000E+01 volume 0.32856E-02 ppm1 0.673 ppm2 4.326 CV 1 ASSI { 248} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 6 and name HG )) 2.500 0.800 0.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.55603E-02 ppm1 0.673 ppm2 1.570 CV 1 OR { 248} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 6 and name HB2 )) ASSI { 249} ( segid " " and resid 6 and name HD2%) ( segid " " and resid 43 and name HG1%) 2.600 0.900 0.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.48779E-02 ppm1 0.674 ppm2 1.089 CV 1 OR { 249} ( segid " " and resid 6 and name HD2%) ( segid " " and resid 43 and name HG2%) ASSI { 250} ( segid " " and resid 6 and name HD2%) ( segid " " and resid 6 and name HD1%) 2.100 0.500 0.500 peak 250 spectrum 1 weight 0.10000E+01 volume 0.19234E-01 ppm1 0.673 ppm2 0.789 CV 1 ASSI { 252} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 6 and name HB3 )) 2.800 1.000 1.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.23201E-02 ppm1 0.673 ppm2 1.449 CV 1 ASSI { 253} ( segid " " and resid 6 and name HD2%) ( segid " " and resid 12 and name HD1%) 2.800 1.000 1.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.27801E-02 ppm1 0.674 ppm2 1.288 CV 1 ASSI { 255} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 82 and name HD2 )) 2.400 0.700 0.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.50801E-02 ppm1 1.304 ppm2 1.598 CV 1 OR { 255} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 82 and name HD3 )) OR { 255} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 82 and name HB3 )) ASSI { 256} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 82 and name HB2 )) 2.000 0.500 0.500 peak 256 spectrum 1 weight 0.10000E+01 volume 0.10766E-01 ppm1 1.302 ppm2 1.750 CV 1 ASSI { 258} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 79 and name HA )) 4.000 2.000 2.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.15417E-02 ppm1 1.304 ppm2 3.821 CV 1 ASSI { 259} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 82 and name HE2 )) 3.500 1.500 1.500 peak 259 spectrum 1 weight 0.10000E+01 volume 0.19132E-02 ppm1 1.305 ppm2 2.910 CV 1 OR { 259} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 82 and name HE3 )) ASSI { 262} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HB3 )) 2.300 0.600 0.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.66724E-02 ppm1 1.458 ppm2 1.599 CV 1 OR { 262} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HD2 )) OR { 262} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HD3 )) ASSI { 264} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HG3 )) 1.500 0.300 0.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.29570E-01 ppm1 1.458 ppm2 1.310 CV 1 ASSI { 266} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HE3 )) 2.500 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.32098E-02 ppm1 1.471 ppm2 2.915 CV 1 OR { 266} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HE2 )) ASSI { 268} (( segid " " and resid 54 and name HG2 )) ( segid " " and resid 86 and name HG2%) 3.700 1.700 1.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.88462E-03 ppm1 1.498 ppm2 0.782 CV 1 ASSI { 269} (( segid " " and resid 54 and name HG3 )) (( segid " " and resid 54 and name HB3 )) 2.500 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.54592E-02 ppm1 1.260 ppm2 1.921 CV 1 OR { 269} (( segid " " and resid 54 and name HG3 )) (( segid " " and resid 54 and name HB2 )) ASSI { 270} (( segid " " and resid 54 and name HG3 )) (( segid " " and resid 54 and name HA )) 2.300 0.700 0.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.98819E-02 ppm1 1.259 ppm2 4.013 CV 1 ASSI { 272} (( segid " " and resid 54 and name HG3 )) ( segid " " and resid 86 and name HG2%) 3.900 1.900 1.900 peak 272 spectrum 1 weight 0.10000E+01 volume 0.12941E-02 ppm1 1.258 ppm2 0.779 CV 1 ASSI { 273} (( segid " " and resid 102 and name HG3 )) (( segid " " and resid 102 and name HB3 )) 2.500 0.800 0.800 peak 273 spectrum 1 weight 0.10000E+01 volume 0.69502E-02 ppm1 1.072 ppm2 1.256 CV 1 ASSI { 274} (( segid " " and resid 102 and name HG3 )) (( segid " " and resid 102 and name HD2 )) 2.500 0.800 0.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.46504E-02 ppm1 1.072 ppm2 1.448 CV 1 OR { 274} (( segid " " and resid 102 and name HG3 )) (( segid " " and resid 102 and name HD3 )) ASSI { 275} (( segid " " and resid 102 and name HG3 )) (( segid " " and resid 102 and name HE2 )) 3.300 1.300 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.16681E-02 ppm1 1.071 ppm2 2.880 CV 1 OR { 275} (( segid " " and resid 102 and name HG3 )) (( segid " " and resid 102 and name HE3 )) ASSI { 276} (( segid " " and resid 102 and name HG3 )) (( segid " " and resid 102 and name HG2 )) 1.900 0.500 0.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.88966E-02 ppm1 1.071 ppm2 0.896 CV 1 ASSI { 277} (( segid " " and resid 102 and name HG3 )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 277 spectrum 1 weight 0.10000E+01 volume 0.15897E-02 ppm1 1.073 ppm2 3.452 CV 1 ASSI { 278} (( segid " " and resid 102 and name HG2 )) (( segid " " and resid 102 and name HE2 )) 2.600 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.48274E-02 ppm1 0.891 ppm2 2.887 CV 1 OR { 278} (( segid " " and resid 102 and name HG2 )) (( segid " " and resid 102 and name HE3 )) ASSI { 279} (( segid " " and resid 102 and name HG2 )) (( segid " " and resid 102 and name HA )) 3.000 1.100 1.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.21356E-02 ppm1 0.890 ppm2 3.452 CV 1 ASSI { 281} ( segid " " and resid 72 and name HD2%) ( segid " " and resid 62 and name HG2%) 2.800 2.800 3.200 peak 281 spectrum 1 weight 0.10000E+01 volume 0.12056E-02 ppm1 0.889 ppm2 -0.482 CV 1 ASSI { 282} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 72 and name HA )) 2.400 0.700 0.700 peak 282 spectrum 1 weight 0.10000E+01 volume 0.57372E-02 ppm1 0.888 ppm2 4.296 CV 1 ASSI { 284} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.58130E-02 ppm1 0.900 ppm2 2.144 CV 1 ASSI { 285} (( segid " " and resid 86 and name HG12)) (( segid " " and resid 79 and name HB2 )) 2.800 1.000 1.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.12687E-02 ppm1 0.681 ppm2 2.165 CV 1 ASSI { 286} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 31 and name HB )) 3.300 1.400 1.400 peak 286 spectrum 1 weight 0.10000E+01 volume 0.17616E-02 ppm1 0.907 ppm2 4.470 CV 1 ASSI { 287} (( segid " " and resid 86 and name HG12)) (( segid " " and resid 80 and name HA )) 2.900 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.22898E-02 ppm1 0.676 ppm2 4.976 CV 1 ASSI { 288} (( segid " " and resid 86 and name HG13)) ( segid " " and resid 80 and name HG2%) 2.900 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.14659E-02 ppm1 1.337 ppm2 1.199 CV 1 ASSI { 289} (( segid " " and resid 86 and name HG13)) ( segid " " and resid 86 and name HG2%) 3.200 1.300 1.300 peak 289 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 1.342 ppm2 0.765 CV 1 ASSI { 290} (( segid " " and resid 86 and name HG13)) (( segid " " and resid 79 and name HB2 )) 3.700 1.700 1.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.12687E-02 ppm1 1.359 ppm2 2.157 CV 1 ASSI { 291} (( segid " " and resid 86 and name HG12)) ( segid " " and resid 80 and name HG2%) 3.300 1.400 1.400 peak 291 spectrum 1 weight 0.10000E+01 volume 0.12991E-02 ppm1 0.680 ppm2 1.196 CV 1 ASSI { 292} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 38 and name HG2 )) 2.900 1.100 1.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.21053E-02 ppm1 0.907 ppm2 2.495 CV 1 ASSI { 293} (( segid " " and resid 86 and name HG13)) (( segid " " and resid 86 and name HG12)) 2.000 0.500 0.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.58636E-02 ppm1 1.342 ppm2 0.684 CV 1 ASSI { 294} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 38 and name HG3 )) 3.000 1.200 1.200 peak 294 spectrum 1 weight 0.10000E+01 volume 0.21281E-02 ppm1 0.907 ppm2 2.394 CV 1 ASSI { 296} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HG )) 2.100 0.600 0.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.14508E-01 ppm1 0.908 ppm2 1.571 CV 1 ASSI { 297} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HB2 )) 1.900 0.500 0.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.26791E-01 ppm1 0.911 ppm2 1.748 CV 1 ASSI { 298} (( segid " " and resid 86 and name HG12)) ( segid " " and resid 86 and name HG2%) 2.600 0.900 0.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.28560E-02 ppm1 0.679 ppm2 0.770 CV 1 ASSI { 299} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HA )) 2.700 0.900 0.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.43219E-02 ppm1 0.907 ppm2 4.112 CV 1 ASSI { 301} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 32 and name HA )) 3.000 3.000 3.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.34625E-02 ppm1 0.934 ppm2 3.909 CV 1 ASSI { 302} (( segid " " and resid 86 and name HG13)) (( segid " " and resid 86 and name HB )) 2.600 0.900 0.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.19132E-02 ppm1 1.349 ppm2 2.307 CV 1 ASSI { 303} (( segid " " and resid 86 and name HG12)) (( segid " " and resid 86 and name HB )) 3.300 1.400 1.400 peak 303 spectrum 1 weight 0.10000E+01 volume 0.10868E-02 ppm1 0.681 ppm2 2.303 CV 1 ASSI { 304} (( segid " " and resid 86 and name HG13)) (( segid " " and resid 80 and name HA )) 3.300 1.400 1.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.11752E-02 ppm1 1.343 ppm2 4.973 CV 1 ASSI { 305} (( segid " " and resid 86 and name HG13)) (( segid " " and resid 86 and name HA )) 3.400 1.500 1.500 peak 305 spectrum 1 weight 0.10000E+01 volume 0.13370E-02 ppm1 1.346 ppm2 4.895 CV 1 ASSI { 306} (( segid " " and resid 86 and name HG12)) (( segid " " and resid 79 and name HB3 )) 2.700 2.700 3.300 peak 306 spectrum 1 weight 0.10000E+01 volume 0.32351E-02 ppm1 0.683 ppm2 1.844 CV 1 ASSI { 309} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HB3 )) 2.400 0.700 0.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.67990E-02 ppm1 1.415 ppm2 1.753 CV 1 OR { 309} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 104 and name HB3 )) ASSI { 310} ( segid " " and resid 59 and name HD1%) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.23025E-02 ppm1 0.873 ppm2 3.909 CV 1 ASSI { 313} (( segid " " and resid 81 and name HG3 )) (( segid " " and resid 81 and name HE2 )) 3.700 1.700 1.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.64701E-03 ppm1 1.464 ppm2 2.915 CV 1 OR { 313} (( segid " " and resid 81 and name HG3 )) (( segid " " and resid 81 and name HE3 )) ASSI { 314} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 64 and name HB3 )) 3.300 1.400 1.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.13319E-02 ppm1 1.413 ppm2 3.937 CV 1 OR { 314} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 64 and name HB2 )) OR { 314} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 64 and name HB3 )) OR { 314} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 64 and name HB2 )) ASSI { 315} (( segid " " and resid 81 and name HG3 )) (( segid " " and resid 81 and name HA )) 2.900 1.100 1.100 peak 315 spectrum 1 weight 0.10000E+01 volume 0.32351E-02 ppm1 1.462 ppm2 4.325 CV 1 ASSI { 320} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 6 and name HG )) 2.300 0.700 0.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.73296E-02 ppm1 0.802 ppm2 1.607 CV 1 OR { 320} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 6 and name HB2 )) ASSI { 323} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 59 and name HB3 )) 2.000 2.000 4.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.36900E-01 ppm1 1.409 ppm2 1.539 CV 1 OR { 323} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 59 and name HB3 )) ASSI { 325} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 81 and name HG3 )) 1.800 0.400 0.400 peak 325 spectrum 1 weight 0.10000E+01 volume 0.14836E-01 ppm1 1.537 ppm2 1.423 CV 1 ASSI { 330} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 49 and name HA )) 4.600 2.600 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.33362E-03 ppm1 0.884 ppm2 4.003 CV 1 ASSI { 331} (( segid " " and resid 96 and name HG3 )) (( segid " " and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.48526E-02 ppm1 1.551 ppm2 2.045 CV 1 OR { 331} (( segid " " and resid 96 and name HG3 )) (( segid " " and resid 96 and name HB3 )) ASSI { 332} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 11 and name HD3 )) 3.600 1.600 1.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.15897E-02 ppm1 1.522 ppm2 3.790 CV 1 ASSI { 333} (( segid " " and resid 96 and name HG3 )) (( segid " " and resid 96 and name HE2 )) 3.800 1.800 1.800 peak 333 spectrum 1 weight 0.10000E+01 volume 0.89973E-03 ppm1 1.556 ppm2 3.041 CV 1 OR { 333} (( segid " " and resid 96 and name HG3 )) (( segid " " and resid 96 and name HE3 )) ASSI { 335} (( segid " " and resid 96 and name HG3 )) (( segid " " and resid 96 and name HD3 )) 2.300 0.600 0.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.71523E-02 ppm1 1.551 ppm2 1.775 CV 1 OR { 335} (( segid " " and resid 96 and name HG3 )) (( segid " " and resid 96 and name HD2 )) ASSI { 336} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB2 )) 2.500 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.83149E-02 ppm1 0.883 ppm2 1.556 CV 1 ASSI { 337} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 52 and name HA )) 5.000 3.100 1.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.30581E-03 ppm1 0.598 ppm2 3.322 CV 1 ASSI { 338} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 19 and name HD1%) 2.300 0.700 0.700 peak 338 spectrum 1 weight 0.10000E+01 volume 0.72282E-02 ppm1 0.602 ppm2 0.780 CV 1 ASSI { 339} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 52 and name HD1%) 4.500 4.500 1.500 peak 339 spectrum 1 weight 0.10000E+01 volume 0.12763E-03 ppm1 0.601 ppm2 0.924 CV 1 ASSI { 340} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 56 and name HA )) 3.600 1.600 1.600 peak 340 spectrum 1 weight 0.10000E+01 volume 0.13547E-02 ppm1 0.602 ppm2 3.758 CV 1 ASSI { 341} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 52 and name HD2%) 3.600 1.600 1.600 peak 341 spectrum 1 weight 0.10000E+01 volume 0.52317E-03 ppm1 0.602 ppm2 0.885 CV 1 ASSI { 342} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 10 and name HB2 )) 2.500 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.46504E-02 ppm1 1.506 ppm2 2.018 CV 1 OR { 342} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 10 and name HB3 )) ASSI { 343} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HB3 )) 2.500 0.800 0.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.32604E-02 ppm1 0.602 ppm2 1.313 CV 1 ASSI { 347} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 15 and name HD1%) 3.000 1.100 1.100 peak 347 spectrum 1 weight 0.10000E+01 volume 0.18425E-02 ppm1 0.601 ppm2 1.198 CV 1 ASSI { 348} (( segid " " and resid 96 and name HG2 )) (( segid " " and resid 96 and name HG3 )) 1.800 0.400 0.400 peak 348 spectrum 1 weight 0.10000E+01 volume 0.98315E-02 ppm1 1.679 ppm2 1.558 CV 1 ASSI { 349} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 59 and name HB2 )) 6.000 6.000 0.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10944E-04 ppm1 0.601 ppm2 1.768 CV 1 OR { 349} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 59 and name HG )) ASSI { 350} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HB2 )) 2.600 0.800 0.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.13395E-01 ppm1 0.601 ppm2 1.854 CV 1 ASSI { 351} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HG3 )) 1.900 0.400 0.400 peak 351 spectrum 1 weight 0.10000E+01 volume 0.11374E-01 ppm1 1.630 ppm2 1.508 CV 1 ASSI { 352} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 16 and name HA )) 4.300 2.300 1.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.11045E-02 ppm1 0.599 ppm2 3.578 CV 1 ASSI { 353} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 10 and name HD3 )) 2.200 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.12081E-01 ppm1 1.508 ppm2 1.777 CV 1 OR { 353} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 10 and name HD2 )) ASSI { 355} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HD2 )) 2.400 0.700 0.700 peak 355 spectrum 1 weight 0.10000E+01 volume 0.63438E-02 ppm1 1.634 ppm2 1.779 CV 1 OR { 355} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HD3 )) ASSI { 356} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 10 and name HE3 )) 3.100 1.200 1.200 peak 356 spectrum 1 weight 0.10000E+01 volume 0.19562E-02 ppm1 1.504 ppm2 3.050 CV 1 OR { 356} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 10 and name HE2 )) ASSI { 357} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HB3 )) 2.500 0.800 0.800 peak 357 spectrum 1 weight 0.10000E+01 volume 0.51054E-02 ppm1 1.634 ppm2 2.019 CV 1 OR { 357} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HB2 )) ASSI { 360} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 10 and name HA )) 3.000 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.16504E-02 ppm1 1.499 ppm2 4.487 CV 1 ASSI { 361} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HA )) 3.300 1.400 1.400 peak 361 spectrum 1 weight 0.10000E+01 volume 0.15215E-02 ppm1 1.631 ppm2 4.489 CV 1 ASSI { 364} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 19 and name HD1%) 2.400 0.700 0.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.59647E-02 ppm1 0.882 ppm2 0.790 CV 1 ASSI { 365} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 15 and name HD1%) 2.200 0.600 0.600 peak 365 spectrum 1 weight 0.10000E+01 volume 0.11626E-01 ppm1 0.882 ppm2 1.197 CV 1 ASSI { 367} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HE3 )) 2.200 0.600 0.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.84412E-02 ppm1 1.479 ppm2 2.524 CV 1 ASSI { 368} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HG )) 2.400 0.700 0.700 peak 368 spectrum 1 weight 0.10000E+01 volume 0.50043E-02 ppm1 0.882 ppm2 1.395 CV 1 ASSI { 372} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HG2 )) 2.000 0.500 0.500 peak 372 spectrum 1 weight 0.10000E+01 volume 0.45241E-02 ppm1 0.530 ppm2 1.465 CV 1 ASSI { 373} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HD2 )) 2.500 0.800 0.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 0.539 ppm2 1.367 CV 1 OR { 373} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HD3 )) ASSI { 376} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HE3 )) 3.100 1.200 1.200 peak 376 spectrum 1 weight 0.10000E+01 volume 0.21180E-02 ppm1 0.533 ppm2 2.517 CV 1 ASSI { 380} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 15 and name HB2 )) 3.600 1.600 1.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.13699E-02 ppm1 1.192 ppm2 2.487 CV 1 ASSI { 384} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 15 and name HB3 )) 2.900 1.000 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.18248E-02 ppm1 1.193 ppm2 2.015 CV 1 ASSI { 385} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 15 and name HG )) 2.500 0.800 0.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.40692E-02 ppm1 1.193 ppm2 1.596 CV 1 ASSI { 386} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 35 and name HB2 )) 4.200 2.200 1.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.38164E-03 ppm1 1.192 ppm2 2.179 CV 1 ASSI { 387} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 15 and name HA )) 2.600 0.800 0.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.34625E-02 ppm1 1.192 ppm2 4.071 CV 1 ASSI { 388} (( segid " " and resid 16 and name HG )) ( segid " " and resid 16 and name HD2%) 2.500 0.800 0.800 peak 388 spectrum 1 weight 0.10000E+01 volume 0.34878E-02 ppm1 1.860 ppm2 0.670 CV 1 ASSI { 389} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 39 and name HA )) 3.200 1.300 1.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.27801E-02 ppm1 0.992 ppm2 4.463 CV 1 ASSI { 392} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 35 and name HB2 )) 3.000 1.100 1.100 peak 392 spectrum 1 weight 0.10000E+01 volume 0.23859E-02 ppm1 0.902 ppm2 2.184 CV 1 ASSI { 393} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 35 and name HG )) 2.100 0.600 0.600 peak 393 spectrum 1 weight 0.10000E+01 volume 0.10666E-01 ppm1 0.902 ppm2 1.909 CV 1 ASSI { 395} ( segid " " and resid 15 and name HD2%) (( segid " " and resid 12 and name HA )) 3.500 1.500 1.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.52570E-03 ppm1 0.934 ppm2 4.642 CV 1 ASSI { 397} ( segid " " and resid 15 and name HD2%) ( segid " " and resid 15 and name HD1%) 2.200 0.600 0.600 peak 397 spectrum 1 weight 0.10000E+01 volume 0.12258E-01 ppm1 0.932 ppm2 1.196 CV 1 ASSI { 398} (( segid " " and resid 16 and name HG )) (( segid " " and resid 16 and name HB3 )) 2.100 0.500 0.500 peak 398 spectrum 1 weight 0.10000E+01 volume 0.86185E-02 ppm1 1.878 ppm2 1.279 CV 1 ASSI { 399} ( segid " " and resid 15 and name HD2%) (( segid " " and resid 15 and name HA )) 2.300 0.700 0.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.72034E-02 ppm1 0.935 ppm2 4.070 CV 1 ASSI { 401} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 94 and name HB )) 3.400 1.500 1.500 peak 401 spectrum 1 weight 0.10000E+01 volume 0.45999E-03 ppm1 1.023 ppm2 1.895 CV 1 ASSI { 404} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HA )) 3.200 1.200 1.200 peak 404 spectrum 1 weight 0.10000E+01 volume 0.17616E-02 ppm1 0.935 ppm2 3.316 CV 1 ASSI { 407} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 95 and name HB2 )) 2.800 1.000 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.69757E-02 ppm1 1.025 ppm2 4.047 CV 1 OR { 407} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 95 and name HB3 )) ASSI { 410} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 95 and name HA )) 3.100 1.200 1.200 peak 410 spectrum 1 weight 0.10000E+01 volume 0.17287E-02 ppm1 1.028 ppm2 4.242 CV 1 ASSI { 412} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 76 and name HB2 )) 2.400 0.700 0.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.46504E-02 ppm1 1.026 ppm2 1.276 CV 1 ASSI { 414} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 76 and name HG )) 3.100 1.200 1.200 peak 414 spectrum 1 weight 0.10000E+01 volume 0.10413E-02 ppm1 1.026 ppm2 2.120 CV 1 OR { 414} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 76 and name HB3 )) ASSI { 415} (( segid " " and resid 19 and name HG )) ( segid " " and resid 19 and name HD2%) 2.600 0.800 0.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.28054E-02 ppm1 1.915 ppm2 0.610 CV 1 ASSI { 416} (( segid " " and resid 16 and name HG )) (( segid " " and resid 16 and name HA )) 3.000 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.32351E-02 ppm1 1.876 ppm2 3.572 CV 1 ASSI { 418} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 91 and name HA )) 4.100 2.100 1.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.43219E-03 ppm1 1.028 ppm2 3.874 CV 1 ASSI { 420} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 94 and name HG12)) 3.500 1.500 1.500 peak 420 spectrum 1 weight 0.10000E+01 volume 0.15821E-02 ppm1 1.140 ppm2 0.940 CV 1 OR { 420} ( segid " " and resid 12 and name HD2%) ( segid " " and resid 94 and name HG2%) ASSI { 423} (( segid " " and resid 19 and name HG )) ( segid " " and resid 15 and name HD1%) 2.700 0.900 0.900 peak 423 spectrum 1 weight 0.10000E+01 volume 0.26285E-02 ppm1 1.933 ppm2 1.187 CV 1 ASSI { 424} (( segid " " and resid 36 and name HG3 )) (( segid " " and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 424 spectrum 1 weight 0.10000E+01 volume 0.80879E-03 ppm1 1.293 ppm2 1.538 CV 1 ASSI { 425} (( segid " " and resid 36 and name HG3 )) (( segid " " and resid 36 and name HG2 )) 2.300 0.600 0.600 peak 425 spectrum 1 weight 0.10000E+01 volume 0.30076E-02 ppm1 1.295 ppm2 0.356 CV 1 ASSI { 428} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HA )) 3.500 1.500 1.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.10766E-02 ppm1 0.356 ppm2 2.763 CV 1 ASSI { 430} (( segid " " and resid 36 and name HG3 )) (( segid " " and resid 36 and name HA )) 3.000 1.200 1.200 peak 430 spectrum 1 weight 0.10000E+01 volume 0.12865E-02 ppm1 1.288 ppm2 2.763 CV 1 ASSI { 432} ( segid " " and resid 12 and name HD2%) ( segid " " and resid 93 and name HG1%) 2.500 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.45493E-02 ppm1 1.141 ppm2 1.041 CV 1 ASSI { 433} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 90 and name HG2 )) 2.900 1.000 1.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.15367E-02 ppm1 1.142 ppm2 2.658 CV 1 ASSI { 434} (( segid " " and resid 35 and name HG )) (( segid " " and resid 35 and name HB3 )) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.21836E-02 ppm1 1.900 ppm2 1.474 CV 1 ASSI { 435} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 93 and name HA )) 5.100 3.200 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.24339E-03 ppm1 1.141 ppm2 3.742 CV 1 ASSI { 436} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 55 and name HG3 )) 3.300 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.16453E-02 ppm1 1.142 ppm2 1.746 CV 1 ASSI { 440} ( segid " " and resid 12 and name HD2%) ( segid " " and resid 12 and name HD1%) 2.200 0.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.99833E-02 ppm1 1.142 ppm2 1.273 CV 1 ASSI { 441} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 12 and name HB3 )) 2.400 0.700 0.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.53834E-02 ppm1 1.142 ppm2 1.994 CV 1 OR { 441} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 12 and name HB2 )) ASSI { 442} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 90 and name HG3 )) 3.900 1.900 1.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.16301E-02 ppm1 1.142 ppm2 2.485 CV 1 ASSI { 444} (( segid " " and resid 36 and name HG3 )) ( segid " " and resid 43 and name HG1%) 2.800 2.800 3.200 peak 444 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 1.299 ppm2 1.141 CV 1 ASSI { 445} ( segid " " and resid 72 and name HD1%) ( segid " " and resid 76 and name HD2%) 3.300 3.300 2.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.19309E-02 ppm1 1.675 ppm2 1.031 CV 1 ASSI { 446} ( segid " " and resid 72 and name HD1%) ( segid " " and resid 72 and name HD2%) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.27043E-02 ppm1 1.682 ppm2 0.898 CV 1 ASSI { 447} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 12 and name HA )) 4.100 2.100 1.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.71523E-03 ppm1 1.141 ppm2 4.639 CV 1 ASSI { 452} ( segid " " and resid 12 and name HD2%) ( segid " " and resid 16 and name HD2%) 4.100 2.100 1.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.56614E-03 ppm1 1.145 ppm2 0.636 CV 1 ASSI { 454} (( segid " " and resid 36 and name HG2 )) ( segid " " and resid 43 and name HG1%) 4.500 2.600 1.500 peak 454 spectrum 1 weight 0.10000E+01 volume 0.39428E-03 ppm1 0.339 ppm2 1.109 CV 1 ASSI { 455} (( segid " " and resid 36 and name HG3 )) (( segid " " and resid 36 and name HD2 )) 2.700 0.900 0.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.17641E-02 ppm1 1.294 ppm2 3.705 CV 1 ASSI { 456} (( segid " " and resid 52 and name HG )) ( segid " " and resid 52 and name HD1%) 2.400 0.700 0.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.52570E-02 ppm1 1.392 ppm2 0.946 CV 1 ASSI { 457} (( segid " " and resid 76 and name HG )) ( segid " " and resid 94 and name HG2%) 2.300 2.300 3.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.18476E-01 ppm1 2.087 ppm2 0.922 CV 1 ASSI { 459} (( segid " " and resid 76 and name HG )) ( segid " " and resid 76 and name HD2%) 2.600 0.800 0.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.22519E-02 ppm1 2.102 ppm2 1.032 CV 1 ASSI { 460} (( segid " " and resid 76 and name HG )) ( segid " " and resid 76 and name HD1%) 1.800 0.400 0.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.20801E-01 ppm1 2.099 ppm2 0.818 CV 1 ASSI { 462} (( segid " " and resid 76 and name HG )) (( segid " " and resid 76 and name HB2 )) 2.600 0.800 0.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.20472E-02 ppm1 2.098 ppm2 1.271 CV 1 ASSI { 463} (( segid " " and resid 6 and name HG )) ( segid " " and resid 6 and name HD2%) 3.000 1.100 1.100 peak 463 spectrum 1 weight 0.10000E+01 volume 0.17540E-02 ppm1 1.560 ppm2 0.678 CV 1 ASSI { 464} (( segid " " and resid 6 and name HG )) (( segid " " and resid 6 and name HA )) 2.900 1.000 1.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 1.563 ppm2 4.308 CV 1 ASSI { 465} (( segid " " and resid 6 and name HG )) (( segid " " and resid 6 and name HB3 )) 2.400 0.700 0.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.55603E-02 ppm1 1.560 ppm2 1.454 CV 1 ASSI { 466} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HB2 )) 2.300 0.700 0.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.63691E-02 ppm1 1.389 ppm2 1.545 CV 1 ASSI { 470} (( segid " " and resid 59 and name HG )) (( segid " " and resid 59 and name HA )) 3.800 1.800 1.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.71779E-03 ppm1 1.750 ppm2 3.907 CV 1 ASSI { 471} (( segid " " and resid 106 and name HG3 )) (( segid " " and resid 106 and name HA )) 3.000 1.100 1.100 peak 471 spectrum 1 weight 0.10000E+01 volume 0.24111E-02 ppm1 1.654 ppm2 4.375 CV 1 OR { 471} (( segid " " and resid 106 and name HG2 )) (( segid " " and resid 106 and name HA )) ASSI { 472} (( segid " " and resid 59 and name HG )) (( segid " " and resid 59 and name HB3 )) 2.500 0.800 0.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.46251E-02 ppm1 1.749 ppm2 1.556 CV 1 ASSI { 473} (( segid " " and resid 106 and name HG3 )) (( segid " " and resid 106 and name HB2 )) 2.000 0.500 0.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.19183E-01 ppm1 1.660 ppm2 1.815 CV 1 OR { 473} (( segid " " and resid 106 and name HG2 )) (( segid " " and resid 106 and name HB2 )) ASSI { 474} (( segid " " and resid 34 and name HG )) (( segid " " and resid 34 and name HB2 )) 2.200 0.600 0.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.10994E-01 ppm1 1.576 ppm2 1.744 CV 1 ASSI { 477} (( segid " " and resid 62 and name HG13)) ( segid " " and resid 72 and name HD2%) 3.100 1.200 1.200 peak 477 spectrum 1 weight 0.10000E+01 volume 0.13446E-02 ppm1 0.793 ppm2 0.895 CV 1 ASSI { 479} (( segid " " and resid 59 and name HG )) ( segid " " and resid 52 and name HD1%) 2.600 2.600 3.400 peak 479 spectrum 1 weight 0.10000E+01 volume 0.22747E-02 ppm1 1.745 ppm2 0.937 CV 1 ASSI { 480} (( segid " " and resid 59 and name HG )) ( segid " " and resid 16 and name HD1%) 4.000 2.000 2.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.69502E-03 ppm1 1.753 ppm2 0.551 CV 1 ASSI { 482} (( segid " " and resid 59 and name HG )) ( segid " " and resid 59 and name HD2%) 2.600 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.37406E-02 ppm1 1.749 ppm2 0.876 CV 1 OR { 482} (( segid " " and resid 59 and name HG )) ( segid " " and resid 59 and name HD1%) ASSI { 486} (( segid " " and resid 62 and name HG13)) (( segid " " and resid 62 and name HG12)) 2.200 0.600 0.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.30581E-02 ppm1 0.769 ppm2 1.444 CV 1 ASSI { 488} (( segid " " and resid 62 and name HG12)) (( segid " " and resid 62 and name HA )) 3.000 1.100 1.100 peak 488 spectrum 1 weight 0.10000E+01 volume 0.12789E-02 ppm1 1.452 ppm2 3.222 CV 1 ASSI { 489} (( segid " " and resid 28 and name HG3 )) (( segid " " and resid 28 and name HD2 )) 2.600 0.800 0.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.36648E-02 ppm1 2.046 ppm2 3.596 CV 1 OR { 489} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HD2 )) ASSI { 490} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HA )) 3.600 1.600 1.600 peak 490 spectrum 1 weight 0.10000E+01 volume 0.17818E-02 ppm1 2.051 ppm2 4.515 CV 1 OR { 490} (( segid " " and resid 28 and name HG3 )) (( segid " " and resid 28 and name HA )) ASSI { 491} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 27 and name HA )) 4.400 2.500 1.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.11449E-02 ppm1 2.043 ppm2 4.840 CV 1 OR { 491} (( segid " " and resid 28 and name HG3 )) (( segid " " and resid 27 and name HA )) ASSI { 492} (( segid " " and resid 105 and name HG13)) (( segid " " and resid 101 and name HA )) 4.500 2.600 1.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.25780E-03 ppm1 1.454 ppm2 4.220 CV 1 ASSI { 493} (( segid " " and resid 62 and name HG13)) (( segid " " and resid 62 and name HB )) 2.700 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.22595E-02 ppm1 0.761 ppm2 1.248 CV 1 ASSI { 494} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HD3 )) 2.700 0.900 0.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.28054E-02 ppm1 2.048 ppm2 3.826 CV 1 OR { 494} (( segid " " and resid 28 and name HG3 )) (( segid " " and resid 28 and name HD3 )) ASSI { 495} (( segid " " and resid 39 and name HG )) (( segid " " and resid 39 and name HA )) 2.800 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.24465E-02 ppm1 1.633 ppm2 4.460 CV 1 ASSI { 496} (( segid " " and resid 105 and name HG13)) ( segid " " and resid 105 and name HD1%) 2.400 0.700 0.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.65965E-02 ppm1 1.460 ppm2 0.845 CV 1 OR { 496} (( segid " " and resid 105 and name HG13)) ( segid " " and resid 105 and name HG2%) ASSI { 498} (( segid " " and resid 62 and name HG12)) (( segid " " and resid 67 and name HB3 )) 2.600 2.600 3.400 peak 498 spectrum 1 weight 0.10000E+01 volume 0.74055E-02 ppm1 1.461 ppm2 1.564 CV 1 ASSI { 499} (( segid " " and resid 105 and name HG13)) (( segid " " and resid 105 and name HG12)) 1.800 0.400 0.400 peak 499 spectrum 1 weight 0.10000E+01 volume 0.14810E-01 ppm1 1.460 ppm2 1.184 CV 1 ASSI { 500} (( segid " " and resid 105 and name HG13)) (( segid " " and resid 105 and name HB )) 2.700 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.37658E-02 ppm1 1.462 ppm2 1.845 CV 1 ASSI { 502} (( segid " " and resid 105 and name HG12)) (( segid " " and resid 105 and name HA )) 3.200 1.300 1.300 peak 502 spectrum 1 weight 0.10000E+01 volume 0.23733E-02 ppm1 1.184 ppm2 4.091 CV 1 ASSI { 504} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 80 and name HG2%) 3.900 1.900 1.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.84667E-03 ppm1 1.845 ppm2 1.186 CV 1 ASSI { 505} (( segid " " and resid 105 and name HG12)) ( segid " " and resid 105 and name HD1%) 2.700 0.900 0.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.27801E-02 ppm1 1.182 ppm2 0.852 CV 1 OR { 505} (( segid " " and resid 105 and name HG12)) ( segid " " and resid 105 and name HG2%) ASSI { 508} (( segid " " and resid 12 and name HG )) (( segid " " and resid 12 and name HA )) 2.800 1.000 1.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.23277E-02 ppm1 1.647 ppm2 4.637 CV 1 ASSI { 509} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HD2 )) 2.600 0.800 0.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.56361E-02 ppm1 1.645 ppm2 3.361 CV 1 ASSI { 512} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 50 and name HD3 )) 3.500 1.500 1.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.14103E-02 ppm1 1.643 ppm2 3.492 CV 1 ASSI { 513} (( segid " " and resid 12 and name HG )) ( segid " " and resid 12 and name HD2%) 2.300 0.700 0.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.63185E-02 ppm1 1.649 ppm2 1.145 CV 1 ASSI { 515} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 49 and name HG2 )) 1.900 0.500 0.500 peak 515 spectrum 1 weight 0.10000E+01 volume 0.10868E-01 ppm1 1.929 ppm2 1.651 CV 1 OR { 515} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HG2 )) ASSI { 516} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 44 and name HA )) 5.000 3.200 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.67480E-03 ppm1 2.300 ppm2 4.800 CV 1 ASSI { 517} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HG2 )) 2.700 0.900 0.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.27549E-02 ppm1 2.089 ppm2 1.653 CV 1 ASSI { 518} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 49 and name HD2 )) 2.600 0.900 0.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.33867E-02 ppm1 1.929 ppm2 3.360 CV 1 OR { 518} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HD2 )) ASSI { 519} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 49 and name HD3 )) 3.000 1.200 1.200 peak 519 spectrum 1 weight 0.10000E+01 volume 0.23429E-02 ppm1 1.929 ppm2 3.250 CV 1 OR { 519} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HD3 )) ASSI { 521} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HA )) 2.600 0.800 0.800 peak 521 spectrum 1 weight 0.10000E+01 volume 0.22064E-02 ppm1 1.830 ppm2 3.821 CV 1 ASSI { 522} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 50 and name HD3 )) 2.600 0.800 0.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 1.930 ppm2 3.486 CV 1 ASSI { 525} (( segid " " and resid 30 and name HG13)) (( segid " " and resid 30 and name HA )) 2.400 2.400 3.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.52317E-02 ppm1 1.220 ppm2 4.241 CV 1 ASSI { 527} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HD3 )) 2.800 1.000 1.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.26285E-02 ppm1 2.089 ppm2 3.249 CV 1 ASSI { 529} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HB2 )) 2.500 0.800 0.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.29318E-02 ppm1 2.307 ppm2 2.563 CV 1 ASSI { 530} (( segid " " and resid 72 and name HG )) ( segid " " and resid 72 and name HD1%) 2.600 0.800 0.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.35637E-02 ppm1 1.221 ppm2 1.667 CV 1 ASSI { 531} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HG3 )) 1.900 0.400 0.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.10261E-01 ppm1 2.308 ppm2 2.093 CV 1 OR { 531} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HB3 )) ASSI { 532} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HD2 )) 3.200 1.300 1.300 peak 532 spectrum 1 weight 0.10000E+01 volume 0.15569E-02 ppm1 2.088 ppm2 3.361 CV 1 ASSI { 533} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HD3 )) 3.200 1.200 1.200 peak 533 spectrum 1 weight 0.10000E+01 volume 0.12637E-02 ppm1 2.307 ppm2 3.833 CV 1 ASSI { 534} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 50 and name HD2 )) 3.000 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.29065E-02 ppm1 1.929 ppm2 3.724 CV 1 ASSI { 537} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HD2 )) 2.500 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.27043E-02 ppm1 2.308 ppm2 3.938 CV 1 ASSI { 538} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HA )) 2.100 0.600 0.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.12865E-01 ppm1 2.087 ppm2 3.990 CV 1 ASSI { 539} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 86 and name HB )) 2.400 0.700 0.700 peak 539 spectrum 1 weight 0.10000E+01 volume 0.25780E-02 ppm1 2.618 ppm2 2.311 CV 1 ASSI { 540} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 90 and name HB2 )) 1.800 0.400 0.400 peak 540 spectrum 1 weight 0.10000E+01 volume 0.93009E-02 ppm1 1.618 ppm2 2.627 CV 1 OR { 540} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 90 and name HG2 )) ASSI { 541} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HG3 )) 2.700 0.900 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.14280E-02 ppm1 2.625 ppm2 2.505 CV 1 ASSI { 542} (( segid " " and resid 90 and name HB2 )) ( segid " " and resid 12 and name HD2%) 4.200 2.200 1.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.90484E-03 ppm1 2.631 ppm2 1.148 CV 1 ASSI { 546} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HB3 )) 2.100 0.500 0.500 peak 546 spectrum 1 weight 0.10000E+01 volume 0.34878E-02 ppm1 2.621 ppm2 1.622 CV 1 ASSI { 548} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 86 and name HG12)) 3.300 1.400 1.400 peak 548 spectrum 1 weight 0.10000E+01 volume 0.14305E-02 ppm1 1.836 ppm2 0.688 CV 1 OR { 548} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 86 and name HD1%) ASSI { 552} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HA )) 3.000 1.100 1.100 peak 552 spectrum 1 weight 0.10000E+01 volume 0.23227E-02 ppm1 2.616 ppm2 3.943 CV 1 ASSI { 553} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HD3 )) 3.300 1.300 1.300 peak 553 spectrum 1 weight 0.10000E+01 volume 0.23631E-02 ppm1 2.161 ppm2 3.491 CV 1 ASSI { 554} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HA )) 3.900 1.900 1.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.14558E-02 ppm1 2.308 ppm2 4.239 CV 1 ASSI { 556} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HG3 )) 3.200 1.300 1.300 peak 556 spectrum 1 weight 0.10000E+01 volume 0.22166E-02 ppm1 1.838 ppm2 1.361 CV 1 ASSI { 557} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HB2 )) 2.100 0.500 0.500 peak 557 spectrum 1 weight 0.10000E+01 volume 0.50043E-02 ppm1 1.834 ppm2 2.152 CV 1 ASSI { 558} (( segid " " and resid 30 and name HG13)) (( segid " " and resid 30 and name HG12)) 2.000 0.500 0.500 peak 558 spectrum 1 weight 0.10000E+01 volume 0.61163E-02 ppm1 1.213 ppm2 1.537 CV 1 ASSI { 560} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 86 and name HG12)) 2.800 1.000 1.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.18172E-02 ppm1 2.155 ppm2 0.686 CV 1 OR { 560} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 86 and name HD1%) ASSI { 562} (( segid " " and resid 30 and name HG13)) (( segid " " and resid 30 and name HB )) 2.800 1.000 1.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.32604E-02 ppm1 1.212 ppm2 1.920 CV 1 ASSI { 567} (( segid " " and resid 41 and name HG2 )) (( segid " " and resid 41 and name HB2 )) 2.500 0.800 0.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.49285E-02 ppm1 1.935 ppm2 2.436 CV 1 OR { 567} (( segid " " and resid 41 and name HG3 )) (( segid " " and resid 41 and name HB2 )) ASSI { 570} (( segid " " and resid 30 and name HG12)) (( segid " " and resid 30 and name HB )) 2.400 0.700 0.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.55603E-02 ppm1 1.538 ppm2 1.921 CV 1 ASSI { 577} ( segid " " and resid 16 and name HD2%) (( segid " " and resid 16 and name HB3 )) 2.900 1.100 1.100 peak 577 spectrum 1 weight 0.10000E+01 volume 0.58383E-02 ppm1 0.638 ppm2 1.274 CV 1 ASSI { 578} ( segid " " and resid 16 and name HD2%) ( segid " " and resid 16 and name HD1%) 2.600 0.900 0.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.38922E-02 ppm1 0.638 ppm2 0.554 CV 1 ASSI { 579} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 45 and name HB2 )) 2.500 0.800 0.800 peak 579 spectrum 1 weight 0.10000E+01 volume 0.11298E-01 ppm1 2.096 ppm2 2.563 CV 1 ASSI { 584} (( segid " " and resid 41 and name HG3 )) (( segid " " and resid 41 and name HD3 )) 2.700 0.900 0.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.28812E-02 ppm1 1.959 ppm2 3.049 CV 1 OR { 584} (( segid " " and resid 41 and name HG2 )) (( segid " " and resid 41 and name HD3 )) ASSI { 586} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HA )) 2.200 0.600 0.600 peak 586 spectrum 1 weight 0.10000E+01 volume 0.95535E-02 ppm1 2.048 ppm2 4.214 CV 1 OR { 586} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HA )) ASSI { 587} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 53 and name HA )) 3.800 1.800 1.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.65965E-03 ppm1 1.531 ppm2 3.927 CV 1 ASSI { 588} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HG2 )) 2.200 0.600 0.600 peak 588 spectrum 1 weight 0.10000E+01 volume 0.11652E-01 ppm1 2.048 ppm2 2.426 CV 1 OR { 588} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HG3 )) OR { 588} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HG3 )) OR { 588} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HG2 )) ASSI { 589} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 44 and name HA )) 3.400 1.500 1.500 peak 589 spectrum 1 weight 0.10000E+01 volume 0.31087E-02 ppm1 2.099 ppm2 4.794 CV 1 ASSI { 591} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 11 and name HD2 )) 2.100 0.600 0.600 peak 591 spectrum 1 weight 0.10000E+01 volume 0.20599E-01 ppm1 1.929 ppm2 3.834 CV 1 ASSI { 598} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 52 and name HB3 )) 4.400 2.400 1.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.25780E-03 ppm1 1.536 ppm2 0.598 CV 1 ASSI { 600} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HB3 )) 2.500 0.800 0.800 peak 600 spectrum 1 weight 0.10000E+01 volume 0.52823E-02 ppm1 1.539 ppm2 1.785 CV 1 OR { 600} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HB2 )) ASSI { 601} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HD2 )) 2.700 0.900 0.900 peak 601 spectrum 1 weight 0.10000E+01 volume 0.35637E-02 ppm1 1.535 ppm2 3.106 CV 1 ASSI { 602} (( segid " " and resid 56 and name HG3 )) (( segid " " and resid 52 and name HB3 )) 4.300 2.300 1.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.29318E-03 ppm1 1.690 ppm2 0.604 CV 1 ASSI { 604} (( segid " " and resid 56 and name HG3 )) (( segid " " and resid 56 and name HB2 )) 2.300 0.700 0.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.65460E-02 ppm1 1.678 ppm2 1.792 CV 1 OR { 604} (( segid " " and resid 56 and name HG3 )) (( segid " " and resid 56 and name HB3 )) ASSI { 605} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HG3 )) 1.700 0.400 0.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.15973E-01 ppm1 1.538 ppm2 1.683 CV 1 ASSI { 606} (( segid " " and resid 56 and name HG3 )) (( segid " " and resid 56 and name HD3 )) 2.900 1.100 1.100 peak 606 spectrum 1 weight 0.10000E+01 volume 0.19537E-02 ppm1 1.681 ppm2 3.168 CV 1 ASSI { 608} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HA )) 3.300 1.400 1.400 peak 608 spectrum 1 weight 0.10000E+01 volume 0.13269E-02 ppm1 1.537 ppm2 3.754 CV 1 ASSI { 609} (( segid " " and resid 56 and name HG3 )) (( segid " " and resid 56 and name HA )) 3.300 1.400 1.400 peak 609 spectrum 1 weight 0.10000E+01 volume 0.18273E-02 ppm1 1.675 ppm2 3.753 CV 1 ASSI { 611} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HG2 )) 2.800 1.000 1.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.26032E-02 ppm1 1.436 ppm2 0.893 CV 1 OR { 611} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HG2 )) ASSI { 612} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.24920E-02 ppm1 1.438 ppm2 3.461 CV 1 OR { 612} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HA )) ASSI { 614} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HE3 )) 2.500 0.800 0.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.51812E-02 ppm1 1.439 ppm2 2.878 CV 1 OR { 614} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HE2 )) OR { 614} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HE3 )) OR { 614} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HE2 )) ASSI { 616} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 46 and name HG3 )) 2.000 0.500 0.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.24844E-01 ppm1 2.110 ppm2 2.415 CV 1 OR { 616} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG2 )) OR { 616} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG3 )) OR { 616} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 46 and name HG2 )) ASSI { 617} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HA )) 3.000 1.100 1.100 peak 617 spectrum 1 weight 0.10000E+01 volume 0.17060E-02 ppm1 1.825 ppm2 4.544 CV 1 ASSI { 619} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HG2 )) 2.600 0.800 0.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.32351E-02 ppm1 1.828 ppm2 2.485 CV 1 ASSI { 620} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HB2 )) 2.000 0.500 0.500 peak 620 spectrum 1 weight 0.10000E+01 volume 0.85930E-02 ppm1 1.825 ppm2 2.149 CV 1 ASSI { 621} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HG3 )) 2.700 0.900 0.900 peak 621 spectrum 1 weight 0.10000E+01 volume 0.54592E-02 ppm1 1.825 ppm2 2.251 CV 1 ASSI { 622} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HA )) 2.900 1.100 1.100 peak 622 spectrum 1 weight 0.10000E+01 volume 0.26032E-02 ppm1 2.146 ppm2 4.546 CV 1 ASSI { 623} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 67 and name HB3 )) 3.700 1.700 1.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.85682E-03 ppm1 1.992 ppm2 1.580 CV 1 ASSI { 624} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 71 and name HG3 )) 2.500 0.800 0.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.60911E-02 ppm1 1.983 ppm2 2.481 CV 1 ASSI { 625} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 71 and name HA )) 2.800 1.000 1.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.24187E-02 ppm1 1.985 ppm2 4.100 CV 1 ASSI { 626} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 67 and name HB3 )) 3.000 1.100 1.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.53834E-03 ppm1 2.267 ppm2 1.582 CV 1 ASSI { 627} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HG3 )) 2.100 0.500 0.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.92505E-02 ppm1 2.263 ppm2 2.483 CV 1 ASSI { 630} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 71 and name HG2 )) 2.900 1.100 1.100 peak 630 spectrum 1 weight 0.10000E+01 volume 0.26032E-02 ppm1 1.985 ppm2 2.734 CV 1 ASSI { 632} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 45 and name HB2 )) 2.700 2.700 3.300 peak 632 spectrum 1 weight 0.10000E+01 volume 0.10135E-01 ppm1 2.178 ppm2 2.536 CV 1 ASSI { 633} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 42 and name HA )) 2.800 1.000 1.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.27549E-02 ppm1 1.950 ppm2 4.340 CV 1 ASSI { 634} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HA )) 2.600 0.800 0.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.44988E-02 ppm1 2.227 ppm2 4.334 CV 1 ASSI { 637} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HG2 )) 2.300 0.700 0.700 peak 637 spectrum 1 weight 0.10000E+01 volume 0.17844E-01 ppm1 2.218 ppm2 2.332 CV 1 ASSI { 638} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 85 and name HA1 )) 2.800 1.000 1.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.15923E-02 ppm1 1.637 ppm2 4.081 CV 1 OR { 638} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 85 and name HA1 )) ASSI { 639} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 70 and name HB3 )) 2.600 2.600 3.400 peak 639 spectrum 1 weight 0.10000E+01 volume 0.21432E-02 ppm1 2.184 ppm2 2.929 CV 1 OR { 639} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 70 and name HB3 )) ASSI { 640} (( segid " " and resid 104 and name HD3 )) (( segid " " and resid 104 and name HG3 )) 2.100 0.500 0.500 peak 640 spectrum 1 weight 0.10000E+01 volume 0.15973E-01 ppm1 1.644 ppm2 1.420 CV 1 OR { 640} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HG2 )) OR { 640} (( segid " " and resid 104 and name HD3 )) (( segid " " and resid 104 and name HG2 )) OR { 640} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HG3 )) ASSI { 642} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 103 and name HB )) 2.600 0.800 0.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.44988E-02 ppm1 1.643 ppm2 4.201 CV 1 OR { 642} (( segid " " and resid 104 and name HD3 )) (( segid " " and resid 103 and name HB )) OR { 642} (( segid " " and resid 104 and name HD3 )) (( segid " " and resid 103 and name HA )) ASSI { 644} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 60 and name HE3 )) 3.100 1.200 1.200 peak 644 spectrum 1 weight 0.10000E+01 volume 0.13471E-02 ppm1 1.669 ppm2 2.947 CV 1 OR { 644} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 60 and name HE2 )) OR { 644} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 60 and name HE3 )) OR { 644} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 60 and name HE2 )) ASSI { 645} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HA )) 3.400 1.500 1.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.12384E-02 ppm1 1.780 ppm2 4.486 CV 1 OR { 645} (( segid " " and resid 10 and name HD3 )) (( segid " " and resid 10 and name HA )) ASSI { 646} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HG2 )) 2.000 0.500 0.500 peak 646 spectrum 1 weight 0.10000E+01 volume 0.20194E-01 ppm1 2.172 ppm2 2.323 CV 1 OR { 646} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG3 )) OR { 646} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG2 )) OR { 646} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HG3 )) ASSI { 647} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 70 and name HA )) 2.900 1.100 1.100 peak 647 spectrum 1 weight 0.10000E+01 volume 0.19789E-02 ppm1 2.170 ppm2 4.650 CV 1 OR { 647} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 70 and name HA )) ASSI { 649} (( segid " " and resid 96 and name HD2 )) (( segid " " and resid 93 and name HA )) 3.000 1.100 1.100 peak 649 spectrum 1 weight 0.10000E+01 volume 0.19183E-02 ppm1 1.775 ppm2 3.771 CV 1 OR { 649} (( segid " " and resid 96 and name HD3 )) (( segid " " and resid 93 and name HA )) ASSI { 654} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HA )) 3.200 1.300 1.300 peak 654 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 3.207 ppm2 4.688 CV 1 ASSI { 656} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HB2 )) 2.000 0.500 0.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.10059E-01 ppm1 3.202 ppm2 3.350 CV 1 ASSI { 663} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HE2 )) 2.600 0.900 0.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.32856E-02 ppm1 1.375 ppm2 2.655 CV 1 OR { 663} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HE2 )) ASSI { 664} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HE3 )) 2.700 0.900 0.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.29824E-02 ppm1 1.373 ppm2 2.520 CV 1 OR { 664} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HE3 )) ASSI { 665} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HG3 )) 2.500 0.800 0.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.46504E-02 ppm1 1.383 ppm2 0.533 CV 1 ASSI { 666} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 96 and name HA )) 3.300 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.31087E-02 ppm1 1.361 ppm2 4.028 CV 1 ASSI { 670} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 54 and name HG2 )) 2.400 0.700 0.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.57372E-02 ppm1 1.681 ppm2 1.507 CV 1 OR { 670} (( segid " " and resid 54 and name HD3 )) (( segid " " and resid 54 and name HG2 )) ASSI { 672} (( segid " " and resid 94 and name HG12)) ( segid " " and resid 94 and name HD1%) 3.000 1.100 1.100 peak 672 spectrum 1 weight 0.10000E+01 volume 0.12207E-02 ppm1 0.912 ppm2 0.829 CV 1 ASSI { 673} (( segid " " and resid 54 and name HD3 )) (( segid " " and resid 54 and name HG3 )) 2.700 0.900 0.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 1.685 ppm2 1.260 CV 1 OR { 673} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 54 and name HG3 )) ASSI { 674} (( segid " " and resid 54 and name HD2 )) ( segid " " and resid 86 and name HG2%) 2.700 0.900 0.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.45493E-02 ppm1 1.685 ppm2 0.773 CV 1 OR { 674} (( segid " " and resid 54 and name HD3 )) ( segid " " and resid 86 and name HG2%) ASSI { 675} (( segid " " and resid 94 and name HG13)) ( segid " " and resid 12 and name HD2%) 3.300 1.400 1.400 peak 675 spectrum 1 weight 0.10000E+01 volume 0.77588E-03 ppm1 1.978 ppm2 1.140 CV 1 ASSI { 677} (( segid " " and resid 94 and name HG12)) (( segid " " and resid 94 and name HA )) 3.400 1.400 1.400 peak 677 spectrum 1 weight 0.10000E+01 volume 0.65460E-03 ppm1 0.908 ppm2 3.695 CV 1 ASSI { 678} (( segid " " and resid 94 and name HG13)) ( segid " " and resid 16 and name HD2%) 3.600 1.600 1.600 peak 678 spectrum 1 weight 0.10000E+01 volume 0.16049E-02 ppm1 1.973 ppm2 0.642 CV 1 ASSI { 679} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 39 and name HG )) 2.700 0.900 0.900 peak 679 spectrum 1 weight 0.10000E+01 volume 0.25173E-02 ppm1 2.094 ppm2 1.635 CV 1 ASSI { 680} (( segid " " and resid 94 and name HG13)) (( segid " " and resid 94 and name HG12)) 1.900 0.500 0.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.78858E-02 ppm1 1.982 ppm2 0.932 CV 1 ASSI { 682} (( segid " " and resid 94 and name HG13)) ( segid " " and resid 93 and name HG1%) 2.300 0.700 0.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.53834E-02 ppm1 1.980 ppm2 1.011 CV 1 ASSI { 683} (( segid " " and resid 94 and name HG12)) (( segid " " and resid 94 and name HB )) 3.500 1.500 1.500 peak 683 spectrum 1 weight 0.10000E+01 volume 0.86185E-03 ppm1 0.907 ppm2 1.891 CV 1 ASSI { 685} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 31 and name HB )) 4.900 3.000 1.100 peak 685 spectrum 1 weight 0.10000E+01 volume 0.30581E-03 ppm1 2.313 ppm2 4.455 CV 1 ASSI { 689} (( segid " " and resid 94 and name HG12)) ( segid " " and resid 16 and name HD2%) 4.600 2.700 1.400 peak 689 spectrum 1 weight 0.10000E+01 volume 0.98570E-04 ppm1 0.903 ppm2 0.646 CV 1 ASSI { 690} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HA )) 4.800 2.900 1.200 peak 690 spectrum 1 weight 0.10000E+01 volume 0.10160E-03 ppm1 2.141 ppm2 3.933 CV 1 ASSI { 692} (( segid " " and resid 58 and name HG13)) (( segid " " and resid 58 and name HG12)) 3.300 3.300 2.700 peak 692 spectrum 1 weight 0.10000E+01 volume 0.22924E-03 ppm1 1.130 ppm2 1.803 CV 1 ASSI { 695} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB3 )) 3.300 3.300 2.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.40186E-03 ppm1 2.313 ppm2 2.147 CV 1 ASSI { 701} (( segid " " and resid 32 and name HB2 )) ( segid " " and resid 35 and name HD2%) 5.400 3.600 0.600 peak 701 spectrum 1 weight 0.10000E+01 volume 0.16327E-03 ppm1 2.307 ppm2 0.931 CV 1 ASSI { 716} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 56 and name HD2 )) 6.000 5.700 0.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.12106E-04 ppm1 1.793 ppm2 3.102 CV 1 OR { 716} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HD2 )) ASSI { 724} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HB3 )) 4.700 4.700 1.300 peak 724 spectrum 1 weight 0.10000E+01 volume 0.35131E-04 ppm1 1.556 ppm2 1.291 CV 1 OR { 724} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG3 )) ASSI { 726} (( segid " " and resid 5 and name HB3 )) ( segid " " and resid 6 and name HD1%) 5.200 3.300 0.800 peak 726 spectrum 1 weight 0.10000E+01 volume 0.10261E-03 ppm1 1.982 ppm2 0.824 CV 1 ASSI { 734} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HA )) 4.800 2.900 1.200 peak 734 spectrum 1 weight 0.10000E+01 volume 0.96549E-04 ppm1 2.311 ppm2 3.927 CV 1 ASSI { 737} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HA )) 3.600 1.600 1.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.72786E-03 ppm1 2.108 ppm2 4.293 CV 1 ASSI { 741} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HD3 )) 6.000 5.000 0.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.19511E-04 ppm1 1.951 ppm2 3.498 CV 1 ASSI { 744} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 97 and name HE% ) 6.000 6.000 0.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.23404E-04 ppm1 3.438 ppm2 7.203 CV 1 OR { 744} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 97 and name HE% ) ASSI { 745} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name HE3 )) 6.000 5.700 0.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.14608E-04 ppm1 3.433 ppm2 7.387 CV 1 OR { 745} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HE3 )) ASSI { 746} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 56 and name HD3 )) 3.300 1.400 1.400 peak 746 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 1.789 ppm2 3.166 CV 1 OR { 746} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HD3 )) ASSI { 749} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HG2 )) 5.000 3.100 1.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.18172E-03 ppm1 2.304 ppm2 2.476 CV 1 ASSI { 754} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HE3 )) 3.100 1.200 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.29318E-02 ppm1 2.010 ppm2 3.047 CV 1 OR { 754} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HE2 )) OR { 754} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name HE2 )) OR { 754} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name HE3 )) ASSI { 755} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 33 and name HA )) 4.300 2.300 1.700 peak 755 spectrum 1 weight 0.10000E+01 volume 0.20396E-03 ppm1 1.302 ppm2 4.537 CV 1 ASSI { 756} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HB3 )) 1.400 0.200 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.66218E-01 ppm1 2.308 ppm2 1.960 CV 1 ASSI { 757} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 33 and name HA )) 3.400 1.500 1.500 peak 757 spectrum 1 weight 0.10000E+01 volume 0.14988E-02 ppm1 1.560 ppm2 4.552 CV 1 ASSI { 759} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HD3 )) 2.900 1.100 1.100 peak 759 spectrum 1 weight 0.10000E+01 volume 0.23530E-02 ppm1 2.014 ppm2 1.778 CV 1 OR { 759} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name HD2 )) OR { 759} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HD2 )) OR { 759} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name HD3 )) ASSI { 760} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 11 and name HD3 )) 1.900 0.500 0.500 peak 760 spectrum 1 weight 0.10000E+01 volume 0.14330E-01 ppm1 2.010 ppm2 3.777 CV 1 OR { 760} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 11 and name HD3 )) ASSI { 761} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HA )) 3.200 1.300 1.300 peak 761 spectrum 1 weight 0.10000E+01 volume 0.14937E-02 ppm1 1.290 ppm2 2.759 CV 1 ASSI { 763} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HD3 )) 3.300 1.300 1.300 peak 763 spectrum 1 weight 0.10000E+01 volume 0.14052E-02 ppm1 1.593 ppm2 3.773 CV 1 ASSI { 764} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 107 and name HB2 )) 3.000 3.000 3.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.26285E-02 ppm1 1.808 ppm2 2.121 CV 1 ASSI { 765} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HB2 )) 2.400 0.700 0.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.18905E-02 ppm1 1.291 ppm2 1.561 CV 1 ASSI { 767} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HB2 )) 1.900 0.400 0.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.11298E-01 ppm1 1.600 ppm2 1.917 CV 1 OR { 767} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HG3 )) ASSI { 768} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HA )) 2.700 0.900 0.900 peak 768 spectrum 1 weight 0.10000E+01 volume 0.20043E-02 ppm1 1.599 ppm2 4.317 CV 1 ASSI { 769} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HG2 )) 2.800 1.000 1.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.46757E-02 ppm1 1.604 ppm2 2.054 CV 1 ASSI { 770} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 7 and name HG3 )) 2.600 0.800 0.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.55603E-02 ppm1 1.598 ppm2 2.322 CV 1 OR { 770} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 7 and name HG2 )) ASSI { 771} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 44 and name HD2 )) 3.400 1.400 1.400 peak 771 spectrum 1 weight 0.10000E+01 volume 0.21584E-02 ppm1 2.003 ppm2 4.116 CV 1 ASSI { 772} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 107 and name HG3 )) 2.900 2.900 3.100 peak 772 spectrum 1 weight 0.10000E+01 volume 0.34625E-02 ppm1 1.811 ppm2 2.311 CV 1 OR { 772} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 107 and name HG2 )) ASSI { 773} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HA )) 2.900 1.100 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.12991E-02 ppm1 1.542 ppm2 2.772 CV 1 ASSI { 774} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HA )) 2.900 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.33362E-02 ppm1 1.913 ppm2 4.316 CV 1 ASSI { 775} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HG2 )) 2.700 0.900 0.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.17793E-02 ppm1 1.297 ppm2 0.341 CV 1 ASSI { 776} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HD2 )) 3.900 1.900 1.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.10059E-02 ppm1 1.603 ppm2 3.849 CV 1 ASSI { 779} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG2 )) 3.700 1.700 1.700 peak 779 spectrum 1 weight 0.10000E+01 volume 0.71779E-03 ppm1 1.535 ppm2 0.367 CV 1 ASSI { 780} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 44 and name HD2 )) 2.400 0.700 0.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.26538E-02 ppm1 2.116 ppm2 4.138 CV 1 ASSI { 781} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 43 and name HG1%) 3.100 1.200 1.200 peak 781 spectrum 1 weight 0.10000E+01 volume 0.17818E-02 ppm1 2.113 ppm2 1.101 CV 1 OR { 781} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 43 and name HG2%) ASSI { 782} (( segid " " and resid 47 and name HB3 )) ( segid " " and resid 43 and name HG1%) 3.200 1.300 1.300 peak 782 spectrum 1 weight 0.10000E+01 volume 0.17970E-02 ppm1 1.985 ppm2 1.100 CV 1 OR { 782} (( segid " " and resid 47 and name HB3 )) ( segid " " and resid 43 and name HG2%) ASSI { 784} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 106 and name HD3 )) 3.300 1.400 1.400 peak 784 spectrum 1 weight 0.10000E+01 volume 0.12131E-02 ppm1 1.907 ppm2 3.222 CV 1 OR { 784} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 106 and name HD2 )) ASSI { 786} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 41 and name HD3 )) 3.900 1.900 1.900 peak 786 spectrum 1 weight 0.10000E+01 volume 0.39175E-03 ppm1 1.938 ppm2 3.040 CV 1 ASSI { 787} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 106 and name HG2 )) 2.000 0.500 0.500 peak 787 spectrum 1 weight 0.10000E+01 volume 0.23606E-01 ppm1 1.907 ppm2 1.662 CV 1 OR { 787} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 106 and name HG3 )) ASSI { 788} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HA )) 3.000 1.100 1.100 peak 788 spectrum 1 weight 0.10000E+01 volume 0.19158E-02 ppm1 1.815 ppm2 4.370 CV 1 ASSI { 789} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HD2 )) 2.700 0.900 0.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.40186E-02 ppm1 1.814 ppm2 3.223 CV 1 OR { 789} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HD3 )) ASSI { 790} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 41 and name HB2 )) 2.100 0.500 0.500 peak 790 spectrum 1 weight 0.10000E+01 volume 0.61922E-02 ppm1 1.942 ppm2 2.446 CV 1 ASSI { 791} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HB3 )) 1.700 0.400 0.500 peak 791 spectrum 1 weight 0.10000E+01 volume 0.18829E-01 ppm1 1.815 ppm2 1.909 CV 1 ASSI { 792} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 41 and name HA )) 2.700 0.900 0.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.22797E-02 ppm1 1.940 ppm2 4.000 CV 1 ASSI { 793} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HB3 )) 2.100 0.600 0.600 peak 793 spectrum 1 weight 0.10000E+01 volume 0.65965E-02 ppm1 2.444 ppm2 1.948 CV 1 OR { 793} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HG2 )) ASSI { 794} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HA )) 3.000 1.100 1.100 peak 794 spectrum 1 weight 0.10000E+01 volume 0.23606E-02 ppm1 2.446 ppm2 3.996 CV 1 ASSI { 796} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 37 and name HA )) 3.700 1.700 1.700 peak 796 spectrum 1 weight 0.10000E+01 volume 0.22722E-02 ppm1 2.444 ppm2 3.773 CV 1 ASSI { 797} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 37 and name HA )) 3.300 1.400 1.400 peak 797 spectrum 1 weight 0.10000E+01 volume 0.71020E-03 ppm1 1.938 ppm2 3.773 CV 1 ASSI { 798} (( segid " " and resid 55 and name HB3 )) ( segid " " and resid 16 and name HD1%) 3.500 1.500 1.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.57878E-03 ppm1 1.302 ppm2 0.559 CV 1 ASSI { 799} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 52 and name HD1%) 3.700 1.800 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.81887E-03 ppm1 1.713 ppm2 0.938 CV 1 ASSI { 801} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HB3 )) 2.300 0.700 0.700 peak 801 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 1.707 ppm2 1.314 CV 1 ASSI { 802} (( segid " " and resid 55 and name HB3 )) (( segid " " and resid 55 and name HB2 )) 2.100 0.500 0.500 peak 802 spectrum 1 weight 0.10000E+01 volume 0.59142E-02 ppm1 1.305 ppm2 1.729 CV 1 OR { 802} (( segid " " and resid 55 and name HB3 )) (( segid " " and resid 55 and name HG3 )) ASSI { 804} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 45 and name HD3 )) 3.600 1.600 1.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.13522E-02 ppm1 2.560 ppm2 3.831 CV 1 ASSI { 805} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HD2 )) 3.300 1.400 1.400 peak 805 spectrum 1 weight 0.10000E+01 volume 0.12814E-02 ppm1 2.564 ppm2 4.129 CV 1 ASSI { 806} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HB3 )) 2.100 0.500 0.500 peak 806 spectrum 1 weight 0.10000E+01 volume 0.56361E-02 ppm1 2.562 ppm2 2.001 CV 1 ASSI { 807} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HA )) 2.900 1.000 1.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.29318E-02 ppm1 2.562 ppm2 4.793 CV 1 ASSI { 810} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 44 and name HA )) 2.500 0.800 0.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.24061E-02 ppm1 1.996 ppm2 4.793 CV 1 ASSI { 812} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HE3 )) 4.200 2.200 1.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.35889E-03 ppm1 1.260 ppm2 2.884 CV 1 OR { 812} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HE2 )) ASSI { 813} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 44 and name HD2 )) 3.900 1.900 1.900 peak 813 spectrum 1 weight 0.10000E+01 volume 0.10666E-02 ppm1 2.000 ppm2 4.131 CV 1 ASSI { 814} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HG2 )) 2.900 1.000 1.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.17616E-02 ppm1 1.251 ppm2 0.894 CV 1 ASSI { 818} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HB2 )) 1.900 0.400 0.400 peak 818 spectrum 1 weight 0.10000E+01 volume 0.10691E-01 ppm1 1.253 ppm2 1.510 CV 1 ASSI { 819} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HG3 )) 2.800 1.000 1.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.18500E-02 ppm1 1.511 ppm2 1.074 CV 1 ASSI { 820} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HE3 )) 3.400 1.500 1.500 peak 820 spectrum 1 weight 0.10000E+01 volume 0.11778E-02 ppm1 1.502 ppm2 2.882 CV 1 OR { 820} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HE2 )) ASSI { 821} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HG2 )) 3.200 1.300 1.300 peak 821 spectrum 1 weight 0.10000E+01 volume 0.15266E-02 ppm1 1.508 ppm2 0.894 CV 1 ASSI { 823} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 44 and name HG3 )) 2.100 0.600 0.600 peak 823 spectrum 1 weight 0.10000E+01 volume 0.12056E-01 ppm1 1.996 ppm2 2.114 CV 1 OR { 823} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 44 and name HG2 )) ASSI { 828} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HG2 )) 2.200 0.600 0.600 peak 828 spectrum 1 weight 0.10000E+01 volume 0.86441E-02 ppm1 1.930 ppm2 1.532 CV 1 OR { 828} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HG2 )) ASSI { 829} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 28 and name HB2 )) 6.000 4.500 0.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.000 ppm2 2.305 CV 1 ASSI { 831} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 28 and name HA )) 2.800 1.000 1.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.20952E-02 ppm1 2.001 ppm2 4.512 CV 1 ASSI { 833} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HB3 )) 2.000 0.500 0.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.11677E-01 ppm1 2.304 ppm2 2.017 CV 1 OR { 833} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HG2 )) ASSI { 835} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HG2 )) 1.800 0.400 0.400 peak 835 spectrum 1 weight 0.10000E+01 volume 0.29824E-01 ppm1 1.930 ppm2 1.414 CV 1 OR { 835} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HG2 )) OR { 835} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HG3 )) OR { 835} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HG3 )) ASSI { 837} (( segid " " and resid 93 and name HB )) (( segid " " and resid 13 and name HB3 )) 3.000 1.100 1.100 peak 837 spectrum 1 weight 0.10000E+01 volume 0.72282E-02 ppm1 2.373 ppm2 4.007 CV 1 OR { 837} (( segid " " and resid 93 and name HB )) (( segid " " and resid 13 and name HB2 )) ASSI { 841} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HA )) 2.800 1.000 1.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.22039E-02 ppm1 1.699 ppm2 3.857 CV 1 ASSI { 842} (( segid " " and resid 93 and name HB )) (( segid " " and resid 93 and name HA )) 2.800 1.000 1.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.27296E-02 ppm1 2.368 ppm2 3.748 CV 1 ASSI { 843} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HG3 )) 2.900 1.100 1.100 peak 843 spectrum 1 weight 0.10000E+01 volume 0.17616E-02 ppm1 1.698 ppm2 0.540 CV 1 ASSI { 844} (( segid " " and resid 93 and name HB )) ( segid " " and resid 12 and name HD2%) 2.700 0.900 0.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.48526E-02 ppm1 2.368 ppm2 1.147 CV 1 ASSI { 845} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HA )) 2.700 0.900 0.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.27549E-02 ppm1 1.800 ppm2 3.858 CV 1 ASSI { 846} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HG3 )) 3.100 1.200 1.200 peak 846 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 1.797 ppm2 0.538 CV 1 ASSI { 847} (( segid " " and resid 55 and name HG3 )) (( segid " " and resid 94 and name HG12)) 3.500 1.500 1.500 peak 847 spectrum 1 weight 0.10000E+01 volume 0.87703E-03 ppm1 1.783 ppm2 0.936 CV 1 OR { 847} (( segid " " and resid 55 and name HG3 )) ( segid " " and resid 94 and name HG2%) ASSI { 848} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HB2 )) 5.200 3.400 0.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.19789E-04 ppm1 1.705 ppm2 1.802 CV 1 ASSI { 849} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HE3 )) 2.000 2.000 4.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.16655E-01 ppm1 1.792 ppm2 2.503 CV 1 ASSI { 850} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HE2 )) 2.300 0.600 0.600 peak 850 spectrum 1 weight 0.10000E+01 volume 0.47515E-02 ppm1 1.818 ppm2 2.650 CV 1 ASSI { 851} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HD2 )) 2.800 0.900 0.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.23733E-02 ppm1 2.551 ppm2 3.949 CV 1 ASSI { 852} (( segid " " and resid 43 and name HB )) (( segid " " and resid 48 and name HB3 )) 4.400 2.400 1.600 peak 852 spectrum 1 weight 0.10000E+01 volume 0.50295E-03 ppm1 2.337 ppm2 3.021 CV 1 OR { 852} (( segid " " and resid 43 and name HB )) (( segid " " and resid 48 and name HB2 )) ASSI { 853} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 44 and name HA )) 5.000 3.100 1.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.53834E-03 ppm1 2.074 ppm2 4.801 CV 1 ASSI { 854} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HD3 )) 4.100 2.100 1.900 peak 854 spectrum 1 weight 0.10000E+01 volume 0.83660E-03 ppm1 2.557 ppm2 3.844 CV 1 ASSI { 855} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HB3 )) 1.400 0.200 0.800 peak 855 spectrum 1 weight 0.10000E+01 volume 0.80624E-01 ppm1 2.559 ppm2 2.090 CV 1 OR { 855} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HG3 )) ASSI { 856} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 48 and name HB2 )) 4.000 2.000 2.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.83149E-03 ppm1 2.552 ppm2 3.018 CV 1 OR { 856} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 48 and name HB3 )) ASSI { 857} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HB2 )) 2.000 0.500 0.500 peak 857 spectrum 1 weight 0.10000E+01 volume 0.76581E-02 ppm1 2.084 ppm2 2.562 CV 1 ASSI { 858} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 858 spectrum 1 weight 0.10000E+01 volume 0.19511E-02 ppm1 2.082 ppm2 4.241 CV 1 ASSI { 860} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HD3 )) 3.800 1.800 1.800 peak 860 spectrum 1 weight 0.10000E+01 volume 0.13825E-02 ppm1 2.079 ppm2 3.833 CV 1 ASSI { 861} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HG2 )) 2.500 0.800 0.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.66218E-02 ppm1 2.081 ppm2 2.312 CV 1 ASSI { 862} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) 3.100 1.200 1.200 peak 862 spectrum 1 weight 0.10000E+01 volume 0.27043E-02 ppm1 2.559 ppm2 4.240 CV 1 ASSI { 863} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 96 and name HB3 )) 3.500 1.500 1.500 peak 863 spectrum 1 weight 0.10000E+01 volume 0.33867E-02 ppm1 1.686 ppm2 2.053 CV 1 OR { 863} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 96 and name HB2 )) ASSI { 864} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 93 and name HA )) 2.900 1.100 1.100 peak 864 spectrum 1 weight 0.10000E+01 volume 0.35384E-02 ppm1 2.050 ppm2 3.752 CV 1 OR { 864} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 93 and name HA )) ASSI { 865} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 96 and name HE3 )) 3.100 1.200 1.200 peak 865 spectrum 1 weight 0.10000E+01 volume 0.13497E-02 ppm1 2.053 ppm2 3.046 CV 1 OR { 865} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 96 and name HE2 )) OR { 865} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HE2 )) ASSI { 866} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HD2 )) 1.400 0.200 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.25274E+00 ppm1 2.049 ppm2 1.777 CV 1 OR { 866} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 96 and name HD2 )) OR { 866} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 96 and name HD3 )) OR { 866} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HD3 )) ASSI { 867} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 96 and name HA )) 2.000 0.500 0.500 peak 867 spectrum 1 weight 0.10000E+01 volume 0.12865E-01 ppm1 2.049 ppm2 4.031 CV 1 OR { 867} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HA )) ASSI { 868} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 96 and name HG2 )) 1.300 0.200 0.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.24592E+00 ppm1 2.048 ppm2 1.686 CV 1 OR { 868} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HG2 )) ASSI { 870} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG3 )) 1.400 0.300 0.800 peak 870 spectrum 1 weight 0.10000E+01 volume 0.14254E+00 ppm1 1.830 ppm2 1.409 CV 1 OR { 870} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG2 )) ASSI { 873} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 104 and name HA )) 2.900 1.100 1.100 peak 873 spectrum 1 weight 0.10000E+01 volume 0.19032E-02 ppm1 1.754 ppm2 4.273 CV 1 ASSI { 874} (( segid " " and resid 43 and name HB )) (( segid " " and resid 43 and name HA )) 3.000 1.100 1.100 peak 874 spectrum 1 weight 0.10000E+01 volume 0.14179E-02 ppm1 2.338 ppm2 4.362 CV 1 ASSI { 875} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 104 and name HE3 )) 4.300 2.300 1.700 peak 875 spectrum 1 weight 0.10000E+01 volume 0.50548E-03 ppm1 1.741 ppm2 2.954 CV 1 OR { 875} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 104 and name HE2 )) ASSI { 876} (( segid " " and resid 43 and name HB )) ( segid " " and resid 43 and name HG1%) 2.300 0.700 0.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.73296E-02 ppm1 2.339 ppm2 1.089 CV 1 OR { 876} (( segid " " and resid 43 and name HB )) ( segid " " and resid 43 and name HG2%) ASSI { 878} (( segid " " and resid 43 and name HB )) (( segid " " and resid 40 and name HB2 )) 2.800 1.000 1.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.20017E-02 ppm1 2.338 ppm2 3.230 CV 1 ASSI { 879} (( segid " " and resid 43 and name HB )) (( segid " " and resid 48 and name HA )) 4.400 2.400 1.600 peak 879 spectrum 1 weight 0.10000E+01 volume 0.49537E-03 ppm1 2.326 ppm2 4.218 CV 1 ASSI { 880} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HA )) 3.100 1.200 1.200 peak 880 spectrum 1 weight 0.10000E+01 volume 0.15215E-02 ppm1 2.191 ppm2 4.150 CV 1 ASSI { 881} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 76 and name HA )) 3.300 1.400 1.400 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10160E-02 ppm1 1.905 ppm2 3.713 CV 1 ASSI { 882} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 76 and name HA )) 3.100 1.200 1.200 peak 882 spectrum 1 weight 0.10000E+01 volume 0.94776E-03 ppm1 1.354 ppm2 3.716 CV 1 ASSI { 883} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 86 and name HD1%) 4.000 2.000 2.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.78347E-03 ppm1 1.902 ppm2 0.687 CV 1 OR { 883} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 86 and name HG12)) ASSI { 884} (( segid " " and resid 79 and name HG3 )) ( segid " " and resid 86 and name HD1%) 3.700 1.700 1.700 peak 884 spectrum 1 weight 0.10000E+01 volume 0.65207E-03 ppm1 1.359 ppm2 0.684 CV 1 OR { 884} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 86 and name HG12)) ASSI { 885} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 79 and name HG2 )) 1.900 0.400 0.400 peak 885 spectrum 1 weight 0.10000E+01 volume 0.10084E-01 ppm1 1.360 ppm2 1.896 CV 1 ASSI { 888} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 79 and name HB2 )) 2.500 0.800 0.800 peak 888 spectrum 1 weight 0.10000E+01 volume 0.32351E-02 ppm1 1.360 ppm2 2.166 CV 1 ASSI { 890} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HB2 )) 2.900 1.100 1.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.37406E-02 ppm1 1.902 ppm2 2.157 CV 1 ASSI { 891} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 79 and name HA )) 3.200 1.300 1.300 peak 891 spectrum 1 weight 0.10000E+01 volume 0.16631E-02 ppm1 1.357 ppm2 3.833 CV 1 ASSI { 892} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HE2 )) 4.100 2.100 1.900 peak 892 spectrum 1 weight 0.10000E+01 volume 0.58888E-03 ppm1 1.996 ppm2 2.920 CV 1 OR { 892} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HE3 )) ASSI { 893} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HA )) 2.900 1.100 1.100 peak 893 spectrum 1 weight 0.10000E+01 volume 0.20245E-02 ppm1 1.901 ppm2 3.829 CV 1 ASSI { 894} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 78 and name HA )) 3.200 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.26538E-02 ppm1 1.720 ppm2 4.082 CV 1 ASSI { 895} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HG3 )) 2.600 0.900 0.900 peak 895 spectrum 1 weight 0.10000E+01 volume 0.27043E-02 ppm1 1.994 ppm2 1.470 CV 1 ASSI { 896} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HA )) 2.800 1.000 1.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.38922E-02 ppm1 1.996 ppm2 4.325 CV 1 ASSI { 897} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 81 and name HB2 )) 1.800 0.400 0.400 peak 897 spectrum 1 weight 0.10000E+01 volume 0.12839E-01 ppm1 1.725 ppm2 1.998 CV 1 ASSI { 899} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HA )) 3.500 1.500 1.500 peak 899 spectrum 1 weight 0.10000E+01 volume 0.11449E-02 ppm1 2.051 ppm2 4.111 CV 1 ASSI { 900} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HB3 )) 2.000 0.500 0.500 peak 900 spectrum 1 weight 0.10000E+01 volume 0.49032E-02 ppm1 2.044 ppm2 1.577 CV 1 ASSI { 901} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HA )) 2.100 0.600 0.600 peak 901 spectrum 1 weight 0.10000E+01 volume 0.95535E-02 ppm1 1.604 ppm2 4.112 CV 1 ASSI { 906} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HG2 )) 3.500 1.600 1.600 peak 906 spectrum 1 weight 0.10000E+01 volume 0.86441E-03 ppm1 1.576 ppm2 2.645 CV 1 ASSI { 907} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HG2 )) 2.300 0.700 0.700 peak 907 spectrum 1 weight 0.10000E+01 volume 0.10590E-01 ppm1 1.746 ppm2 1.468 CV 1 ASSI { 908} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HB3 )) 2.100 0.500 0.500 peak 908 spectrum 1 weight 0.10000E+01 volume 0.49032E-02 ppm1 1.747 ppm2 1.605 CV 1 OR { 908} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HD3 )) ASSI { 909} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 83 and name HG2 )) 2.700 0.900 0.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.97811E-02 ppm1 1.765 ppm2 2.425 CV 1 OR { 909} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 83 and name HG3 )) ASSI { 910} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HA )) 1.800 1.800 4.200 peak 910 spectrum 1 weight 0.10000E+01 volume 0.28307E-01 ppm1 1.748 ppm2 4.311 CV 1 ASSI { 911} (( segid " " and resid 82 and name HB3 )) (( segid " " and resid 83 and name HG2 )) 3.300 3.300 2.700 peak 911 spectrum 1 weight 0.10000E+01 volume 0.70516E-02 ppm1 1.602 ppm2 2.429 CV 1 OR { 911} (( segid " " and resid 82 and name HB3 )) (( segid " " and resid 83 and name HG3 )) ASSI { 913} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HE2 )) 3.300 1.300 1.300 peak 913 spectrum 1 weight 0.10000E+01 volume 0.18829E-02 ppm1 1.749 ppm2 2.912 CV 1 OR { 913} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HE3 )) ASSI { 915} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 83 and name HA )) 2.900 1.100 1.100 peak 915 spectrum 1 weight 0.10000E+01 volume 0.28560E-02 ppm1 2.429 ppm2 4.215 CV 1 OR { 915} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 83 and name HA )) ASSI { 916} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 85 and name HA1 )) 4.100 2.100 1.900 peak 916 spectrum 1 weight 0.10000E+01 volume 0.11854E-02 ppm1 1.752 ppm2 4.052 CV 1 ASSI { 917} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 68 and name HB2 )) 3.700 1.700 1.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.54087E-03 ppm1 2.734 ppm2 3.216 CV 1 ASSI { 919} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HG3 )) 1.800 0.400 0.400 peak 919 spectrum 1 weight 0.10000E+01 volume 0.13067E-01 ppm1 2.734 ppm2 2.481 CV 1 ASSI { 921} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 921 spectrum 1 weight 0.10000E+01 volume 0.40944E-02 ppm1 2.732 ppm2 2.269 CV 1 ASSI { 922} (( segid " " and resid 71 and name HG3 )) (( segid " " and resid 71 and name HA )) 3.100 1.200 1.200 peak 922 spectrum 1 weight 0.10000E+01 volume 0.27549E-02 ppm1 2.477 ppm2 4.102 CV 1 ASSI { 925} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 67 and name HB2 )) 3.600 1.700 1.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.33867E-03 ppm1 2.295 ppm2 2.018 CV 1 ASSI { 927} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HB3 )) 2.600 0.900 0.900 peak 927 spectrum 1 weight 0.10000E+01 volume 0.39680E-02 ppm1 2.585 ppm2 2.336 CV 1 OR { 927} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HB2 )) OR { 927} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HB2 )) OR { 927} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HB3 )) ASSI { 929} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 38 and name HA )) 3.300 1.400 1.400 peak 929 spectrum 1 weight 0.10000E+01 volume 0.22064E-02 ppm1 2.392 ppm2 4.217 CV 1 ASSI { 930} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 38 and name HG2 )) 1.800 0.400 0.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.16453E-01 ppm1 2.394 ppm2 2.493 CV 1 ASSI { 931} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 67 and name HB3 )) 2.300 0.700 0.700 peak 931 spectrum 1 weight 0.10000E+01 volume 0.56361E-02 ppm1 2.284 ppm2 1.590 CV 1 ASSI { 932} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 38 and name HB2 )) 2.300 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.59142E-02 ppm1 2.393 ppm2 2.133 CV 1 ASSI { 933} (( segid " " and resid 38 and name HG3 )) ( segid " " and resid 34 and name HD1%) 3.100 1.200 1.200 peak 933 spectrum 1 weight 0.10000E+01 volume 0.19537E-02 ppm1 2.391 ppm2 0.917 CV 1 OR { 933} (( segid " " and resid 38 and name HG3 )) ( segid " " and resid 34 and name HD2%) ASSI { 935} (( segid " " and resid 38 and name HG2 )) ( segid " " and resid 34 and name HD1%) 3.100 1.200 1.200 peak 935 spectrum 1 weight 0.10000E+01 volume 0.17515E-02 ppm1 2.486 ppm2 0.910 CV 1 OR { 935} (( segid " " and resid 38 and name HG2 )) ( segid " " and resid 34 and name HD2%) ASSI { 936} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB2 )) 2.000 0.500 0.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.16024E-01 ppm1 2.648 ppm2 2.035 CV 1 ASSI { 937} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HA )) 3.000 1.100 1.100 peak 937 spectrum 1 weight 0.10000E+01 volume 0.16277E-02 ppm1 2.644 ppm2 4.108 CV 1 ASSI { 939} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 72 and name HG )) 3.300 1.300 1.300 peak 939 spectrum 1 weight 0.10000E+01 volume 0.13016E-02 ppm1 2.291 ppm2 1.244 CV 1 ASSI { 941} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 67 and name HG2 )) 2.300 0.600 0.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.33362E-02 ppm1 2.289 ppm2 2.654 CV 1 ASSI { 943} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 67 and name HA )) 3.300 1.400 1.400 peak 943 spectrum 1 weight 0.10000E+01 volume 0.26032E-02 ppm1 2.290 ppm2 4.108 CV 1 ASSI { 944} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 62 and name HA )) 2.900 1.100 1.100 peak 944 spectrum 1 weight 0.10000E+01 volume 0.29318E-02 ppm1 2.648 ppm2 3.224 CV 1 ASSI { 948} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 62 and name HG12)) 4.000 2.000 2.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.48021E-03 ppm1 2.302 ppm2 1.414 CV 1 ASSI { 951} (( segid " " and resid 90 and name HG3 )) (( segid " " and resid 90 and name HG2 )) 1.700 0.400 0.500 peak 951 spectrum 1 weight 0.10000E+01 volume 0.18298E-01 ppm1 2.486 ppm2 2.667 CV 1 ASSI { 953} (( segid " " and resid 90 and name HG3 )) (( segid " " and resid 90 and name HA )) 2.900 1.000 1.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.43471E-02 ppm1 2.486 ppm2 3.942 CV 1 ASSI { 957} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HB2 )) 3.000 1.200 1.200 peak 957 spectrum 1 weight 0.10000E+01 volume 0.26791E-02 ppm1 2.479 ppm2 2.154 CV 1 ASSI { 958} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HG3 )) 2.100 0.500 0.500 peak 958 spectrum 1 weight 0.10000E+01 volume 0.78602E-02 ppm1 2.480 ppm2 2.260 CV 1 ASSI { 959} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HB2 )) 2.700 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 2.255 ppm2 2.152 CV 1 ASSI { 961} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HA )) 3.300 1.300 1.300 peak 961 spectrum 1 weight 0.10000E+01 volume 0.13219E-02 ppm1 2.254 ppm2 4.545 CV 1 ASSI { 965} (( segid " " and resid 73 and name HG3 )) (( segid " " and resid 73 and name HA )) 2.500 0.800 0.800 peak 965 spectrum 1 weight 0.10000E+01 volume 0.58636E-02 ppm1 2.321 ppm2 4.117 CV 1 OR { 965} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HA )) ASSI { 966} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 70 and name HA )) 5.000 3.100 1.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.25274E-03 ppm1 2.321 ppm2 4.646 CV 1 OR { 966} (( segid " " and resid 73 and name HG3 )) (( segid " " and resid 70 and name HA )) ASSI { 969} (( segid " " and resid 42 and name HG3 )) ( segid " " and resid 43 and name HG1%) 3.800 1.800 1.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.64701E-03 ppm1 2.225 ppm2 1.086 CV 1 OR { 969} (( segid " " and resid 42 and name HG3 )) ( segid " " and resid 43 and name HG2%) ASSI { 974} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HA )) 2.500 0.800 0.800 peak 974 spectrum 1 weight 0.10000E+01 volume 0.45493E-02 ppm1 2.316 ppm2 4.434 CV 1 ASSI { 976} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HA )) 2.800 1.000 1.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.34120E-02 ppm1 2.412 ppm2 4.187 CV 1 OR { 976} (( segid " " and resid 46 and name HG3 )) (( segid " " and resid 46 and name HA )) ASSI { 978} (( segid " " and resid 32 and name HG3 )) (( segid " " and resid 32 and name HA )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.24794E-02 ppm1 2.367 ppm2 3.936 CV 1 ASSI { 979} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HA )) 2.900 1.000 1.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.24238E-02 ppm1 2.474 ppm2 3.928 CV 1 ASSI { 980} (( segid " " and resid 32 and name HG2 )) ( segid " " and resid 31 and name HG2%) 3.900 1.900 1.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.11929E-02 ppm1 2.477 ppm2 1.262 CV 1 ASSI { 981} (( segid " " and resid 32 and name HG2 )) ( segid " " and resid 35 and name HD2%) 3.100 1.200 1.200 peak 981 spectrum 1 weight 0.10000E+01 volume 0.23277E-02 ppm1 2.479 ppm2 0.937 CV 1 ASSI { 982} (( segid " " and resid 32 and name HG3 )) ( segid " " and resid 35 and name HD2%) 3.300 1.300 1.300 peak 982 spectrum 1 weight 0.10000E+01 volume 0.20573E-02 ppm1 2.367 ppm2 0.938 CV 1 ASSI { 984} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 69 and name HD% ) 3.100 1.200 1.200 peak 984 spectrum 1 weight 0.10000E+01 volume 0.13875E-02 ppm1 3.394 ppm2 7.351 CV 1 ASSI { 985} (( segid " " and resid 69 and name HB3 )) ( segid " " and resid 69 and name HD% ) 3.100 1.200 1.200 peak 985 spectrum 1 weight 0.10000E+01 volume 0.15518E-02 ppm1 3.274 ppm2 7.350 CV 1 ASSI { 986} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 69 and name HB2 )) 1.900 0.500 0.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.10539E-01 ppm1 3.274 ppm2 3.400 CV 1 ASSI { 988} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 69 and name HA )) 2.900 1.100 1.100 peak 988 spectrum 1 weight 0.10000E+01 volume 0.19006E-02 ppm1 3.274 ppm2 4.552 CV 1 ASSI { 989} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HA )) 2.900 1.000 1.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.23025E-02 ppm1 3.397 ppm2 4.552 CV 1 ASSI { 992} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HG12)) 2.800 0.900 0.900 peak 992 spectrum 1 weight 0.10000E+01 volume 0.19815E-02 ppm1 2.014 ppm2 1.801 CV 1 ASSI { 994} (( segid " " and resid 58 and name HB )) (( segid " " and resid 55 and name HA )) 3.200 3.200 2.800 peak 994 spectrum 1 weight 0.10000E+01 volume 0.23657E-02 ppm1 2.014 ppm2 4.223 CV 1 ASSI { 995} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HG13)) 2.800 1.000 1.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.24440E-02 ppm1 2.016 ppm2 1.143 CV 1 ASSI { 997} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HA )) 2.700 0.900 0.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.29824E-02 ppm1 3.034 ppm2 4.652 CV 1 ASSI { 998} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 70 and name HB2 )) 1.800 0.400 0.400 peak 998 spectrum 1 weight 0.10000E+01 volume 0.18450E-01 ppm1 2.885 ppm2 3.037 CV 1 ASSI { 1001} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 69 and name HB2 )) 3.300 3.300 2.700 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.24642E-02 ppm1 2.886 ppm2 3.402 CV 1 ASSI { 1002} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 70 and name HA )) 2.800 1.000 1.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.36648E-02 ppm1 2.884 ppm2 4.652 CV 1 ASSI { 1005} (( segid " " and resid 30 and name HB )) (( segid " " and resid 27 and name HB3 )) 3.300 3.300 2.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.10160E-02 ppm1 1.921 ppm2 2.926 CV 1 ASSI { 1007} (( segid " " and resid 30 and name HB )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.20801E-02 ppm1 1.915 ppm2 4.175 CV 1 ASSI { 1008} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HA )) 3.000 1.100 1.100 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.16277E-02 ppm1 3.127 ppm2 4.841 CV 1 ASSI { 1009} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 27 and name HE% ) 3.900 1.900 1.900 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.14052E-02 ppm1 3.125 ppm2 6.843 CV 1 ASSI { 1010} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 27 and name HA )) 2.900 1.100 1.100 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.19486E-02 ppm1 2.927 ppm2 4.845 CV 1 ASSI { 1011} (( segid " " and resid 27 and name HB3 )) ( segid " " and resid 27 and name HE% ) 3.200 1.300 1.300 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.47768E-02 ppm1 2.938 ppm2 6.841 CV 1 ASSI { 1012} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 27 and name HB2 )) 2.000 0.500 0.500 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.80369E-02 ppm1 2.926 ppm2 3.131 CV 1 ASSI { 1013} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 27 and name HD% ) 2.600 0.800 0.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.44230E-02 ppm1 3.128 ppm2 7.179 CV 1 ASSI { 1015} (( segid " " and resid 27 and name HB3 )) ( segid " " and resid 27 and name HD% ) 2.800 1.000 1.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.24389E-02 ppm1 2.935 ppm2 7.178 CV 1 ASSI { 1016} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HD3 )) 4.200 2.200 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.77340E-03 ppm1 3.136 ppm2 3.826 CV 1 ASSI { 1017} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 28 and name HD3 )) 3.900 1.900 1.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.11020E-02 ppm1 2.913 ppm2 3.826 CV 1 ASSI { 1019} (( segid " " and resid 105 and name HB )) (( segid " " and resid 105 and name HG12)) 2.700 0.900 0.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.32351E-02 ppm1 1.846 ppm2 1.183 CV 1 ASSI { 1021} (( segid " " and resid 105 and name HB )) (( segid " " and resid 105 and name HA )) 2.900 1.100 1.100 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.23555E-02 ppm1 1.847 ppm2 4.101 CV 1 ASSI { 1022} (( segid " " and resid 105 and name HB )) (( segid " " and resid 106 and name HA )) 2.700 2.700 3.300 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.71275E-02 ppm1 1.840 ppm2 4.368 CV 1 ASSI { 1023} (( segid " " and resid 105 and name HB )) ( segid " " and resid 105 and name HG2%) 2.600 0.800 0.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.37406E-02 ppm1 1.844 ppm2 0.874 CV 1 OR { 1023} (( segid " " and resid 105 and name HB )) ( segid " " and resid 105 and name HD1%) ASSI { 1026} (( segid " " and resid 62 and name HB )) ( segid " " and resid 62 and name HD1%) 2.900 1.100 1.100 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.18122E-02 ppm1 1.220 ppm2 0.569 CV 1 ASSI { 1027} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HA )) 2.500 0.800 0.800 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.51306E-02 ppm1 3.151 ppm2 4.664 CV 1 ASSI { 1028} (( segid " " and resid 62 and name HB )) (( segid " " and resid 59 and name HA )) 2.700 0.900 0.900 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.28307E-02 ppm1 1.213 ppm2 3.911 CV 1 ASSI { 1029} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HB3 )) 2.000 0.500 0.500 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.10236E-01 ppm1 3.147 ppm2 2.971 CV 1 ASSI { 1030} (( segid " " and resid 62 and name HB )) (( segid " " and resid 62 and name HG12)) 2.800 1.000 1.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.38164E-02 ppm1 1.212 ppm2 1.457 CV 1 ASSI { 1032} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 24 and name HA )) 2.900 1.000 1.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.33362E-02 ppm1 2.969 ppm2 4.661 CV 1 ASSI { 1034} (( segid " " and resid 24 and name HB3 )) ( segid " " and resid 24 and name HD% ) 3.500 1.600 1.600 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.62680E-03 ppm1 2.947 ppm2 7.270 CV 1 ASSI { 1035} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 51 and name HD% ) 2.800 0.900 0.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.23404E-02 ppm1 3.189 ppm2 6.872 CV 1 ASSI { 1037} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 51 and name HB2 )) 2.100 0.600 0.600 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.55856E-02 ppm1 2.899 ppm2 3.188 CV 1 ASSI { 1039} (( segid " " and resid 51 and name HB3 )) ( segid " " and resid 51 and name HD% ) 2.700 0.900 0.900 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.35889E-02 ppm1 2.892 ppm2 6.877 CV 1 ASSI { 1040} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HD21)) 2.900 1.100 1.100 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.19208E-02 ppm1 2.897 ppm2 7.166 CV 1 ASSI { 1041} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 14 and name HA2 )) 3.400 1.400 1.400 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.14886E-02 ppm1 2.889 ppm2 3.999 CV 1 ASSI { 1045} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HB2 )) 1.800 0.400 0.400 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.16150E-01 ppm1 3.004 ppm2 2.891 CV 1 ASSI { 1047} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 14 and name HA1 )) 3.400 1.500 1.500 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 3.008 ppm2 3.851 CV 1 ASSI { 1050} (( segid " " and resid 97 and name HB3 )) ( segid " " and resid 16 and name HD2%) 2.700 0.900 0.900 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.17414E-02 ppm1 3.393 ppm2 0.640 CV 1 ASSI { 1051} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 94 and name HA )) 2.300 2.300 3.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.44735E-02 ppm1 3.545 ppm2 3.663 CV 1 ASSI { 1052} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 50 and name HD2 )) 3.300 1.400 1.400 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.15594E-02 ppm1 3.014 ppm2 3.681 CV 1 OR { 1052} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 50 and name HD2 )) ASSI { 1053} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 66 and name HB2 )) 2.000 0.500 0.500 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.12283E-01 ppm1 2.430 ppm2 3.149 CV 1 ASSI { 1055} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 66 and name HA )) 3.000 1.100 1.100 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.29570E-02 ppm1 2.430 ppm2 4.563 CV 1 ASSI { 1057} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HB3 )) 2.100 0.600 0.600 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.47010E-02 ppm1 3.530 ppm2 3.400 CV 1 ASSI { 1059} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HA )) 2.700 0.900 0.900 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.25780E-02 ppm1 3.145 ppm2 4.561 CV 1 ASSI { 1060} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 97 and name HD% ) 2.800 0.900 0.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.26791E-02 ppm1 3.532 ppm2 7.314 CV 1 ASSI { 1061} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 49 and name HD2 )) 3.700 1.700 1.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.88966E-03 ppm1 3.007 ppm2 3.363 CV 1 OR { 1061} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 49 and name HD2 )) ASSI { 1064} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 16 and name HD2%) 2.800 2.800 3.200 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.14684E-02 ppm1 3.531 ppm2 0.640 CV 1 ASSI { 1065} (( segid " " and resid 97 and name HB3 )) ( segid " " and resid 97 and name HD% ) 2.600 0.900 0.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.23681E-02 ppm1 3.396 ppm2 7.317 CV 1 ASSI { 1067} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG )) 3.100 1.200 1.200 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.13976E-02 ppm1 -0.005 ppm2 1.873 CV 1 ASSI { 1068} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 48 and name HA )) 2.400 0.700 0.700 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.64449E-02 ppm1 2.998 ppm2 4.233 CV 1 OR { 1068} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HA )) ASSI { 1069} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 16 and name HD2%) 2.700 0.900 0.900 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.20270E-02 ppm1 -0.005 ppm2 0.641 CV 1 ASSI { 1071} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 16 and name HB2 )) 2.200 0.600 0.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.39428E-02 ppm1 1.250 ppm2 0.027 CV 1 ASSI { 1074} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HA )) 3.300 1.300 1.300 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.15821E-02 ppm1 -0.004 ppm2 3.572 CV 1 ASSI { 1078} (( segid " " and resid 97 and name HB3 )) (( segid " " and resid 58 and name HG13)) 4.700 2.700 1.300 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.32098E-03 ppm1 3.392 ppm2 1.162 CV 1 ASSI { 1079} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HA )) 3.300 1.400 1.400 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.16453E-02 ppm1 3.186 ppm2 4.456 CV 1 ASSI { 1080} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.17111E-02 ppm1 3.179 ppm2 4.299 CV 1 ASSI { 1081} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HB2 )) 1.900 0.500 0.500 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.78347E-02 ppm1 3.194 ppm2 3.312 CV 1 ASSI { 1084} (( segid " " and resid 75 and name HB3 )) ( segid " " and resid 97 and name HE% ) 2.900 1.100 1.100 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 3.193 ppm2 7.222 CV 1 ASSI { 1086} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 97 and name HE% ) 3.800 1.800 1.800 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.18930E-02 ppm1 3.308 ppm2 7.226 CV 1 ASSI { 1089} (( segid " " and resid 75 and name HB3 )) ( segid " " and resid 72 and name HD2%) 3.600 1.600 1.600 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.86441E-03 ppm1 3.192 ppm2 0.900 CV 1 ASSI { 1090} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 43 and name HG2%) 2.400 0.700 0.700 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.66976E-02 ppm1 3.219 ppm2 1.081 CV 1 OR { 1090} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 43 and name HG1%) ASSI { 1091} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 36 and name HG3 )) 3.700 1.700 1.700 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.13597E-02 ppm1 2.080 ppm2 1.275 CV 1 OR { 1091} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 36 and name HB3 )) ASSI { 1092} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HA )) 4.000 2.000 2.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.34373E-03 ppm1 3.234 ppm2 4.790 CV 1 ASSI { 1093} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 36 and name HA )) 3.500 3.500 2.500 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.23050E-02 ppm1 2.067 ppm2 2.775 CV 1 ASSI { 1095} (( segid " " and resid 40 and name HB3 )) ( segid " " and resid 40 and name HD% ) 2.900 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.18476E-02 ppm1 2.076 ppm2 6.966 CV 1 ASSI { 1096} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HB3 )) 2.200 0.600 0.600 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.39175E-02 ppm1 3.220 ppm2 2.084 CV 1 ASSI { 1097} (( segid " " and resid 40 and name HB3 )) ( segid " " and resid 43 and name HG2%) 3.400 1.400 1.400 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.30329E-02 ppm1 2.080 ppm2 1.083 CV 1 OR { 1097} (( segid " " and resid 40 and name HB3 )) ( segid " " and resid 43 and name HG1%) ASSI { 1101} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 40 and name HA )) 3.100 1.200 1.200 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.96294E-03 ppm1 2.080 ppm2 4.783 CV 1 ASSI { 1103} (( segid " " and resid 86 and name HB )) (( segid " " and resid 86 and name HA )) 2.600 0.800 0.800 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.29065E-02 ppm1 2.301 ppm2 4.903 CV 1 ASSI { 1107} (( segid " " and resid 86 and name HB )) (( segid " " and resid 90 and name HB3 )) 3.000 1.100 1.100 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.14002E-02 ppm1 2.296 ppm2 1.626 CV 1 ASSI { 1108} (( segid " " and resid 86 and name HB )) ( segid " " and resid 91 and name HB% ) 4.600 2.700 1.400 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.35384E-03 ppm1 2.289 ppm2 1.475 CV 1 ASSI { 1109} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HA )) 2.800 1.000 1.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.41449E-02 ppm1 3.237 ppm2 4.735 CV 1 ASSI { 1110} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 68 and name HB2 )) 2.000 0.500 0.500 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.88462E-02 ppm1 2.823 ppm2 3.241 CV 1 ASSI { 1111} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.63943E-03 ppm1 1.540 ppm2 4.005 CV 1 ASSI { 1112} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.18146E-02 ppm1 1.546 ppm2 3.317 CV 1 ASSI { 1114} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 68 and name HA )) 2.600 0.900 0.900 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.36900E-02 ppm1 2.821 ppm2 4.732 CV 1 ASSI { 1116} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 52 and name HD1%) 2.200 0.600 0.600 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.82646E-02 ppm1 1.549 ppm2 0.938 CV 1 ASSI { 1118} (( segid " " and resid 52 and name HB3 )) ( segid " " and resid 52 and name HD2%) 2.600 0.900 0.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.30834E-02 ppm1 0.626 ppm2 0.898 CV 1 ASSI { 1119} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 52 and name HB2 )) 2.000 0.500 0.500 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.64701E-02 ppm1 0.628 ppm2 1.554 CV 1 ASSI { 1121} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 52 and name HG )) 3.000 1.100 1.100 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.19032E-02 ppm1 0.625 ppm2 1.391 CV 1 ASSI { 1123} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HA )) 2.500 0.800 0.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.61922E-02 ppm1 2.704 ppm2 4.567 CV 1 OR { 1123} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HA )) ASSI { 1124} (( segid " " and resid 89 and name HB2 )) ( segid " " and resid 87 and name HG2%) 4.200 2.200 1.800 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.44735E-03 ppm1 2.706 ppm2 1.298 CV 1 OR { 1124} (( segid " " and resid 89 and name HB3 )) ( segid " " and resid 87 and name HG2%) ASSI { 1126} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 90 and name HA )) 3.800 1.800 1.800 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.57625E-03 ppm1 2.706 ppm2 3.964 CV 1 OR { 1126} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 90 and name HA )) ASSI { 1128} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 12 and name HD1%) 2.700 0.900 0.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.35889E-02 ppm1 1.993 ppm2 1.277 CV 1 OR { 1128} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 12 and name HD1%) ASSI { 1129} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 93 and name HG1%) 2.600 0.900 0.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.22519E-02 ppm1 1.991 ppm2 1.033 CV 1 OR { 1129} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 93 and name HG1%) ASSI { 1130} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HG )) 2.600 0.800 0.800 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.36900E-02 ppm1 1.999 ppm2 1.663 CV 1 OR { 1130} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HG )) ASSI { 1131} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 9 and name HA1 )) 3.100 1.200 1.200 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.15746E-02 ppm1 2.017 ppm2 4.071 CV 1 OR { 1131} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 9 and name HA1 )) OR { 1131} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 9 and name HA2 )) OR { 1131} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 9 and name HA2 )) ASSI { 1132} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HA )) 2.700 0.900 0.900 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.26538E-02 ppm1 1.989 ppm2 4.643 CV 1 OR { 1132} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HA )) ASSI { 1133} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 76 and name HA )) 3.100 1.200 1.200 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.14912E-02 ppm1 2.132 ppm2 3.717 CV 1 ASSI { 1135} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 76 and name HD1%) 2.800 0.900 0.900 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.21003E-02 ppm1 2.128 ppm2 0.820 CV 1 ASSI { 1136} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HB3 )) 2.000 0.500 0.500 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.58130E-02 ppm1 1.280 ppm2 2.136 CV 1 OR { 1136} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HG )) ASSI { 1137} (( segid " " and resid 76 and name HB2 )) ( segid " " and resid 76 and name HD1%) 3.400 1.500 1.500 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.16984E-02 ppm1 1.278 ppm2 0.817 CV 1 ASSI { 1141} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 76 and name HB2 )) 2.000 0.500 0.500 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.43977E-02 ppm1 2.131 ppm2 1.287 CV 1 ASSI { 1142} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 76 and name HD2%) 3.400 1.500 1.500 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.19562E-02 ppm1 2.132 ppm2 1.030 CV 1 ASSI { 1144} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 73 and name HA )) 3.400 1.500 1.500 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.11904E-02 ppm1 2.137 ppm2 4.117 CV 1 ASSI { 1145} (( segid " " and resid 54 and name HE2 )) ( segid " " and resid 86 and name HG2%) 2.900 1.100 1.100 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.23050E-02 ppm1 2.927 ppm2 0.772 CV 1 OR { 1145} (( segid " " and resid 54 and name HE3 )) ( segid " " and resid 86 and name HG2%) ASSI { 1146} (( segid " " and resid 54 and name HE2 )) (( segid " " and resid 54 and name HG3 )) 6.000 5.400 0.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.21230E-04 ppm1 2.939 ppm2 1.260 CV 1 OR { 1146} (( segid " " and resid 54 and name HE3 )) (( segid " " and resid 54 and name HG3 )) ASSI { 1147} (( segid " " and resid 54 and name HE2 )) (( segid " " and resid 54 and name HB3 )) 1.800 0.400 0.400 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.32604E-01 ppm1 2.947 ppm2 1.927 CV 1 OR { 1147} (( segid " " and resid 54 and name HE2 )) (( segid " " and resid 54 and name HB2 )) OR { 1147} (( segid " " and resid 54 and name HE3 )) (( segid " " and resid 54 and name HB2 )) ASSI { 1150} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 56 and name HA )) 3.200 1.300 1.300 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.87703E-03 ppm1 1.546 ppm2 3.755 CV 1 ASSI { 1151} (( segid " " and resid 59 and name HB3 )) ( segid " " and resid 52 and name HD1%) 2.600 2.600 3.400 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.24819E-02 ppm1 1.549 ppm2 0.940 CV 1 ASSI { 1152} (( segid " " and resid 59 and name HB3 )) ( segid " " and resid 59 and name HD2%) 2.900 1.000 1.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.22620E-02 ppm1 1.554 ppm2 0.876 CV 1 OR { 1152} (( segid " " and resid 59 and name HB3 )) ( segid " " and resid 59 and name HD1%) ASSI { 1154} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 59 and name HB2 )) 1.800 0.400 0.400 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.14128E-01 ppm1 1.552 ppm2 1.742 CV 1 OR { 1154} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 59 and name HG )) ASSI { 1155} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) 2.700 0.900 0.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.21812E-02 ppm1 1.729 ppm2 3.912 CV 1 ASSI { 1157} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 56 and name HA )) 3.400 1.400 1.400 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.94527E-03 ppm1 1.731 ppm2 3.760 CV 1 ASSI { 1158} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 45 and name HG3 )) 2.500 0.800 0.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.58636E-02 ppm1 3.692 ppm2 2.085 CV 1 OR { 1158} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 45 and name HB3 )) ASSI { 1159} (( segid " " and resid 36 and name HD3 )) (( segid " " and resid 36 and name HG2 )) 2.400 0.700 0.700 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.33362E-02 ppm1 2.681 ppm2 0.359 CV 1 ASSI { 1160} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HG3 )) 2.700 0.900 0.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.21306E-02 ppm1 3.679 ppm2 1.297 CV 1 OR { 1160} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HB3 )) ASSI { 1161} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HB2 )) 3.300 1.400 1.400 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.65207E-03 ppm1 3.676 ppm2 1.556 CV 1 ASSI { 1162} (( segid " " and resid 36 and name HD3 )) (( segid " " and resid 36 and name HG3 )) 2.900 1.000 1.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.16681E-02 ppm1 2.696 ppm2 1.294 CV 1 OR { 1162} (( segid " " and resid 36 and name HD3 )) (( segid " " and resid 36 and name HB3 )) ASSI { 1163} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HG2 )) 3.100 1.200 1.200 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.21508E-02 ppm1 3.681 ppm2 0.359 CV 1 ASSI { 1164} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 45 and name HA )) 2.900 1.000 1.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.19991E-02 ppm1 3.686 ppm2 4.239 CV 1 ASSI { 1165} (( segid " " and resid 36 and name HD3 )) (( segid " " and resid 36 and name HD2 )) 2.000 0.500 0.500 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.41197E-02 ppm1 2.691 ppm2 3.688 CV 1 ASSI { 1166} (( segid " " and resid 36 and name HD2 )) ( segid " " and resid 43 and name HG1%) 3.300 1.400 1.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.86944E-03 ppm1 3.683 ppm2 1.105 CV 1 ASSI { 1169} (( segid " " and resid 36 and name HD3 )) ( segid " " and resid 43 and name HG1%) 5.000 3.200 1.000 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.17262E-03 ppm1 2.691 ppm2 1.109 CV 1 ASSI { 1172} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 99 and name HG2 )) 2.500 0.800 0.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.71779E-02 ppm1 2.667 ppm2 1.480 CV 1 ASSI { 1173} (( segid " " and resid 102 and name HE2 )) (( segid " " and resid 102 and name HG3 )) 3.200 1.300 1.300 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.20750E-02 ppm1 2.867 ppm2 1.078 CV 1 ASSI { 1174} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 99 and name HA )) 3.100 1.200 1.200 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.34878E-02 ppm1 2.661 ppm2 3.872 CV 1 ASSI { 1176} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HB2 )) 1.900 0.400 0.400 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.93513E-02 ppm1 1.674 ppm2 1.744 CV 1 ASSI { 1177} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 96 and name HA )) 4.500 2.500 1.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.81128E-03 ppm1 2.655 ppm2 4.043 CV 1 ASSI { 1179} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HA )) 2.900 1.000 1.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.26538E-02 ppm1 1.662 ppm2 4.118 CV 1 ASSI { 1180} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) 2.600 0.900 0.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 1.743 ppm2 4.125 CV 1 ASSI { 1182} (( segid " " and resid 34 and name HB3 )) ( segid " " and resid 34 and name HD2%) 2.700 0.900 0.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.39428E-02 ppm1 1.664 ppm2 0.908 CV 1 OR { 1182} (( segid " " and resid 34 and name HB3 )) ( segid " " and resid 34 and name HD1%) ASSI { 1183} (( segid " " and resid 99 and name HE2 )) ( segid " " and resid 103 and name HG2%) 3.900 1.900 1.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.31340E-03 ppm1 2.652 ppm2 1.222 CV 1 ASSI { 1185} (( segid " " and resid 81 and name HE2 )) (( segid " " and resid 81 and name HG2 )) 2.400 0.700 0.700 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.78347E-02 ppm1 2.939 ppm2 1.544 CV 1 OR { 1185} (( segid " " and resid 81 and name HE3 )) (( segid " " and resid 81 and name HG2 )) ASSI { 1186} (( segid " " and resid 82 and name HE3 )) (( segid " " and resid 79 and name HA )) 2.400 0.700 0.700 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.32856E-02 ppm1 2.912 ppm2 3.825 CV 1 OR { 1186} (( segid " " and resid 82 and name HE2 )) (( segid " " and resid 79 and name HA )) ASSI { 1187} (( segid " " and resid 99 and name HE3 )) (( segid " " and resid 99 and name HE2 )) 1.700 0.400 0.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.18122E-01 ppm1 2.518 ppm2 2.655 CV 1 ASSI { 1192} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 99 and name HG3 )) 3.200 1.300 1.300 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.14330E-02 ppm1 2.652 ppm2 0.536 CV 1 ASSI { 1193} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 99 and name HB3 )) 4.100 2.100 1.900 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.97811E-03 ppm1 2.661 ppm2 1.688 CV 1 ASSI { 1195} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 99 and name HD2 )) 2.900 1.000 1.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.37406E-02 ppm1 2.652 ppm2 1.401 CV 1 ASSI { 1196} (( segid " " and resid 99 and name HE3 )) (( segid " " and resid 96 and name HA )) 4.800 2.900 1.200 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.41197E-03 ppm1 2.519 ppm2 4.032 CV 1 ASSI { 1197} (( segid " " and resid 99 and name HE3 )) (( segid " " and resid 99 and name HB3 )) 3.900 1.900 1.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.11247E-02 ppm1 2.521 ppm2 1.700 CV 1 ASSI { 1198} (( segid " " and resid 82 and name HE3 )) (( segid " " and resid 82 and name HD2 )) 2.000 0.500 0.500 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.13875E-01 ppm1 2.920 ppm2 1.626 CV 1 OR { 1198} (( segid " " and resid 82 and name HE2 )) (( segid " " and resid 82 and name HB3 )) OR { 1198} (( segid " " and resid 82 and name HE2 )) (( segid " " and resid 82 and name HD3 )) OR { 1198} (( segid " " and resid 82 and name HE2 )) (( segid " " and resid 82 and name HD2 )) OR { 1198} (( segid " " and resid 82 and name HE3 )) (( segid " " and resid 82 and name HD3 )) ASSI { 1200} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 96 and name HE2 )) 3.300 1.400 1.400 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.19107E-02 ppm1 2.662 ppm2 3.047 CV 1 OR { 1200} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 96 and name HE3 )) ASSI { 1201} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 6 and name HA )) 2.900 1.100 1.100 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.18576E-02 ppm1 1.446 ppm2 4.328 CV 1 ASSI { 1202} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HA )) 3.000 1.100 1.100 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.23201E-02 ppm1 1.594 ppm2 4.325 CV 1 ASSI { 1203} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 6 and name HD1%) 2.800 1.000 1.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.24061E-02 ppm1 1.589 ppm2 0.803 CV 1 ASSI { 1205} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 6 and name HB2 )) 1.800 0.400 0.400 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.17717E-01 ppm1 1.448 ppm2 1.590 CV 1 ASSI { 1206} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 6 and name HD2%) 3.500 1.500 1.500 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 1.588 ppm2 0.676 CV 1 ASSI { 1208} (( segid " " and resid 6 and name HB3 )) ( segid " " and resid 6 and name HD1%) 3.000 1.100 1.100 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.42713E-02 ppm1 1.451 ppm2 0.806 CV 1 ASSI { 1209} (( segid " " and resid 81 and name HE3 )) ( segid " " and resid 77 and name HG2%) 2.300 0.700 0.700 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.98570E-02 ppm1 2.914 ppm2 1.233 CV 1 OR { 1209} (( segid " " and resid 81 and name HE2 )) ( segid " " and resid 77 and name HG2%) ASSI { 1210} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 17 and name HB3 )) 3.900 3.900 2.100 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.11500E-02 ppm1 2.477 ppm2 3.046 CV 1 ASSI { 1215} (( segid " " and resid 15 and name HB3 )) ( segid " " and resid 15 and name HD2%) 2.800 1.000 1.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.56361E-02 ppm1 2.022 ppm2 0.927 CV 1 ASSI { 1216} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HB2 )) 1.800 0.400 0.400 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.97556E-02 ppm1 2.025 ppm2 2.478 CV 1 ASSI { 1219} (( segid " " and resid 15 and name HB3 )) ( segid " " and resid 19 and name HD1%) 2.600 0.900 0.900 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.29065E-02 ppm1 2.012 ppm2 0.778 CV 1 ASSI { 1220} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 19 and name HD1%) 3.100 1.200 1.200 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.46251E-02 ppm1 2.481 ppm2 0.778 CV 1 ASSI { 1221} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 15 and name HD2%) 2.200 0.600 0.600 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.92754E-02 ppm1 2.481 ppm2 0.945 CV 1 ASSI { 1223} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 12 and name HA )) 2.600 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.19739E-02 ppm1 2.499 ppm2 4.647 CV 1 ASSI { 1224} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HG )) 2.400 0.700 0.700 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.49537E-02 ppm1 2.013 ppm2 1.609 CV 1 ASSI { 1226} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 12 and name HA )) 4.700 2.700 1.300 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.50548E-03 ppm1 2.014 ppm2 4.649 CV 1 ASSI { 1227} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HA )) 3.300 1.300 1.300 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.85171E-03 ppm1 2.481 ppm2 4.074 CV 1 ASSI { 1228} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HG )) 3.100 1.200 1.200 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.94017E-03 ppm1 2.480 ppm2 1.606 CV 1 ASSI { 1229} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HA )) 3.100 1.200 1.200 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 2.010 ppm2 4.070 CV 1 ASSI { 1231} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 12 and name HD1%) 2.700 0.900 0.900 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.43724E-02 ppm1 2.476 ppm2 1.269 CV 1 ASSI { 1232} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.16655E-02 ppm1 1.471 ppm2 4.007 CV 1 ASSI { 1233} (( segid " " and resid 72 and name HB3 )) ( segid " " and resid 76 and name HD2%) 3.600 1.700 1.700 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.11070E-02 ppm1 1.464 ppm2 1.037 CV 1 ASSI { 1235} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 2.800 1.000 1.000 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.14456E-02 ppm1 2.185 ppm2 3.996 CV 1 ASSI { 1238} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HG )) 2.800 1.000 1.000 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.31340E-02 ppm1 2.177 ppm2 1.900 CV 1 ASSI { 1239} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HA )) 3.000 1.100 1.100 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.27549E-02 ppm1 1.848 ppm2 4.107 CV 1 ASSI { 1243} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 72 and name HG )) 2.900 1.100 1.100 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.21382E-02 ppm1 1.469 ppm2 1.202 CV 1 ASSI { 1244} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 16 and name HA )) 3.800 1.800 1.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.17944E-02 ppm1 1.316 ppm2 3.574 CV 1 ASSI { 1245} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HG )) 3.100 1.200 1.200 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.19511E-02 ppm1 1.313 ppm2 1.946 CV 1 ASSI { 1246} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 16 and name HA )) 2.700 0.900 0.900 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.22190E-02 ppm1 1.843 ppm2 3.583 CV 1 ASSI { 1247} (( segid " " and resid 19 and name HB3 )) ( segid " " and resid 59 and name HD1%) 2.900 1.000 1.000 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.32856E-02 ppm1 1.318 ppm2 0.885 CV 1 OR { 1247} (( segid " " and resid 19 and name HB3 )) ( segid " " and resid 59 and name HD2%) ASSI { 1248} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HB3 )) 2.000 0.500 0.500 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.57625E-02 ppm1 1.850 ppm2 1.320 CV 1 ASSI { 1250} (( segid " " and resid 19 and name HB3 )) ( segid " " and resid 19 and name HD1%) 2.000 0.500 0.500 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.19309E-01 ppm1 1.310 ppm2 0.779 CV 1 ASSI { 1252} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 19 and name HD1%) 2.900 1.000 1.000 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.15266E-02 ppm1 1.846 ppm2 0.775 CV 1 ASSI { 1254} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HG )) 2.100 0.600 0.600 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.93768E-02 ppm1 2.174 ppm2 1.205 CV 1 ASSI { 1255} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 59 and name HD1%) 2.900 1.100 1.100 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.22342E-02 ppm1 1.840 ppm2 0.879 CV 1 OR { 1255} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 59 and name HD2%) ASSI { 1257} (( segid " " and resid 96 and name HE2 )) (( segid " " and resid 99 and name HG3 )) 2.800 1.000 1.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.46251E-02 ppm1 3.040 ppm2 0.563 CV 1 OR { 1257} (( segid " " and resid 96 and name HE3 )) (( segid " " and resid 99 and name HG3 )) ASSI { 1259} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 69 and name HA )) 3.300 1.300 1.300 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.96797E-03 ppm1 2.154 ppm2 4.549 CV 1 ASSI { 1261} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 72 and name HD1%) 1.600 0.300 0.600 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.55603E-01 ppm1 2.173 ppm2 1.686 CV 1 ASSI { 1264} (( segid " " and resid 106 and name HD3 )) (( segid " " and resid 106 and name HG2 )) 2.100 0.500 0.500 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.13446E-01 ppm1 3.223 ppm2 1.661 CV 1 OR { 1264} (( segid " " and resid 106 and name HD2 )) (( segid " " and resid 106 and name HG3 )) OR { 1264} (( segid " " and resid 106 and name HD2 )) (( segid " " and resid 106 and name HG2 )) OR { 1264} (( segid " " and resid 106 and name HD3 )) (( segid " " and resid 106 and name HG3 )) ASSI { 1266} (( segid " " and resid 49 and name HD3 )) (( segid " " and resid 49 and name HD2 )) 1.600 0.300 0.600 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.26538E-01 ppm1 3.243 ppm2 3.358 CV 1 ASSI { 1273} (( segid " " and resid 56 and name HD2 )) ( segid " " and resid 53 and name HB% ) 4.100 2.100 1.900 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.71523E-03 ppm1 3.091 ppm2 1.408 CV 1 ASSI { 1274} (( segid " " and resid 56 and name HD2 )) (( segid " " and resid 56 and name HD3 )) 1.700 0.400 0.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.14937E-01 ppm1 3.100 ppm2 3.169 CV 1 ASSI { 1276} (( segid " " and resid 56 and name HD2 )) (( segid " " and resid 56 and name HG3 )) 2.500 0.800 0.800 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.48779E-02 ppm1 3.104 ppm2 1.687 CV 1 ASSI { 1280} (( segid " " and resid 56 and name HD3 )) (( segid " " and resid 56 and name HG2 )) 2.500 0.800 0.800 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.40692E-02 ppm1 3.170 ppm2 1.546 CV 1 ASSI { 1281} (( segid " " and resid 56 and name HD2 )) (( segid " " and resid 56 and name HA )) 3.100 3.100 2.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.44735E-02 ppm1 3.120 ppm2 3.758 CV 1 ASSI { 1283} (( segid " " and resid 56 and name HD2 )) (( segid " " and resid 53 and name HA )) 2.300 0.700 0.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.73041E-02 ppm1 3.113 ppm2 3.930 CV 1 ASSI { 1284} (( segid " " and resid 56 and name HD3 )) ( segid " " and resid 53 and name HB% ) 4.300 2.300 1.700 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.54592E-03 ppm1 3.160 ppm2 1.404 CV 1 ASSI { 1285} (( segid " " and resid 85 and name HA2 )) (( segid " " and resid 82 and name HB2 )) 4.000 2.000 2.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.10059E-02 ppm1 4.280 ppm2 1.744 CV 1 ASSI { 1287} (( segid " " and resid 85 and name HA1 )) (( segid " " and resid 82 and name HG3 )) 3.900 1.900 1.900 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.57625E-03 ppm1 4.052 ppm2 1.320 CV 1 ASSI { 1288} (( segid " " and resid 85 and name HA2 )) (( segid " " and resid 85 and name HA1 )) 1.800 0.400 0.400 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.10615E-01 ppm1 4.284 ppm2 4.052 CV 1 ASSI { 1291} (( segid " " and resid 85 and name HA2 )) ( segid " " and resid 86 and name HG2%) 4.100 2.100 1.900 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.63185E-03 ppm1 4.280 ppm2 0.761 CV 1 ASSI { 1292} (( segid " " and resid 85 and name HA1 )) ( segid " " and resid 86 and name HG2%) 4.200 2.200 1.800 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.26032E-03 ppm1 4.051 ppm2 0.765 CV 1 ASSI { 1293} (( segid " " and resid 85 and name HA2 )) (( segid " " and resid 82 and name HE3 )) 4.200 2.200 1.800 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.51054E-03 ppm1 4.274 ppm2 2.916 CV 1 OR { 1293} (( segid " " and resid 85 and name HA2 )) (( segid " " and resid 82 and name HE2 )) ASSI { 1294} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 26 and name HA1 )) 4.300 4.300 1.700 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.10691E-03 ppm1 4.012 ppm2 3.849 CV 1 ASSI { 1295} (( segid " " and resid 26 and name HA2 )) ( segid " " and resid 30 and name HG2%) 4.000 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.42713E-03 ppm1 4.002 ppm2 0.896 CV 1 OR { 1295} (( segid " " and resid 26 and name HA2 )) ( segid " " and resid 30 and name HD1%) ASSI { 1296} (( segid " " and resid 4 and name HA2 )) ( segid " " and resid 3 and name HB% ) 5.000 3.100 1.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.16580E-03 ppm1 3.974 ppm2 1.433 CV 1 OR { 1296} (( segid " " and resid 4 and name HA1 )) ( segid " " and resid 3 and name HB% ) ASSI { 1300} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 39 and name HD1%) 2.400 0.700 0.700 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.59142E-02 ppm1 2.090 ppm2 0.986 CV 1 OR { 1300} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 39 and name HD2%) ASSI { 1302} (( segid " " and resid 39 and name HB3 )) ( segid " " and resid 39 and name HD2%) 2.500 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.53075E-02 ppm1 1.348 ppm2 0.985 CV 1 OR { 1302} (( segid " " and resid 39 and name HB3 )) ( segid " " and resid 39 and name HD1%) ASSI { 1303} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HA )) 2.900 1.000 1.000 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.37911E-02 ppm1 2.083 ppm2 4.462 CV 1 ASSI { 1305} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HB3 )) 2.100 0.500 0.500 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.48021E-02 ppm1 2.088 ppm2 1.350 CV 1 ASSI { 1308} (( segid " " and resid 84 and name HA1 )) (( segid " " and resid 84 and name HA2 )) 2.500 0.800 0.800 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.28560E-02 ppm1 4.025 ppm2 3.887 CV 1 ASSI { 1310} (( segid " " and resid 9 and name HA1 )) ( segid " " and resid 93 and name HG1%) 3.900 1.900 1.900 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.57625E-03 ppm1 4.045 ppm2 1.032 CV 1 OR { 1310} (( segid " " and resid 9 and name HA2 )) ( segid " " and resid 93 and name HG1%) ASSI { 1313} (( segid " " and resid 14 and name HA1 )) ( segid " " and resid 39 and name HD2%) 3.900 1.900 1.900 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.17111E-02 ppm1 3.855 ppm2 0.971 CV 1 OR { 1313} (( segid " " and resid 14 and name HA1 )) ( segid " " and resid 39 and name HD1%) ASSI { 1315} (( segid " " and resid 14 and name HA2 )) ( segid " " and resid 39 and name HD2%) 3.100 1.200 1.200 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.11550E-02 ppm1 3.992 ppm2 0.969 CV 1 OR { 1315} (( segid " " and resid 14 and name HA2 )) ( segid " " and resid 39 and name HD1%) ASSI { 1316} (( segid " " and resid 14 and name HA2 )) (( segid " " and resid 17 and name HB3 )) 4.200 2.200 1.800 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.50801E-03 ppm1 4.002 ppm2 3.012 CV 1 ASSI { 1319} (( segid " " and resid 14 and name HA1 )) (( segid " " and resid 17 and name HB2 )) 4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.19057E-03 ppm1 3.871 ppm2 2.893 CV 1 ASSI { 1320} (( segid " " and resid 41 and name HD3 )) (( segid " " and resid 41 and name HB2 )) 3.800 1.800 1.800 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.16049E-02 ppm1 3.031 ppm2 2.439 CV 1 ASSI { 1321} (( segid " " and resid 41 and name HD2 )) (( segid " " and resid 41 and name HB2 )) 4.400 2.500 1.600 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.58383E-03 ppm1 3.409 ppm2 2.441 CV 1 ASSI { 1322} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG3 )) 5.100 3.300 0.900 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.10893E-03 ppm1 3.832 ppm2 1.930 CV 1 OR { 1322} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HB2 )) ASSI { 1325} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 3.769 ppm2 4.490 CV 1 ASSI { 1328} (( segid " " and resid 50 and name HD3 )) (( segid " " and resid 49 and name HA )) 3.700 1.700 1.700 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.12359E-02 ppm1 3.490 ppm2 3.993 CV 1 ASSI { 1329} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 11 and name HD2 )) 1.300 0.200 0.900 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.81128E-01 ppm1 3.776 ppm2 3.831 CV 1 ASSI { 1330} (( segid " " and resid 50 and name HD3 )) (( segid " " and resid 50 and name HB2 )) 3.900 1.900 1.900 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.11474E-02 ppm1 3.490 ppm2 2.314 CV 1 ASSI { 1332} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 48 and name HA )) 3.400 1.500 1.500 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.74055E-03 ppm1 3.713 ppm2 4.211 CV 1 ASSI { 1334} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HD3 )) 2.000 0.500 0.500 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.69253E-02 ppm1 3.715 ppm2 3.490 CV 1 ASSI { 1338} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HG2 )) 2.600 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.19764E-02 ppm1 3.715 ppm2 2.162 CV 1 ASSI { 1340} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HB2 )) 4.400 2.400 1.600 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.53581E-03 ppm1 3.717 ppm2 2.321 CV 1 ASSI { 1341} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 27 and name HA )) 2.900 1.000 1.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.22797E-02 ppm1 3.593 ppm2 4.846 CV 1 ASSI { 1342} (( segid " " and resid 28 and name HD3 )) (( segid " " and resid 28 and name HD2 )) 2.200 0.600 0.600 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.45241E-02 ppm1 3.823 ppm2 3.595 CV 1 ASSI { 1345} (( segid " " and resid 28 and name HD3 )) (( segid " " and resid 27 and name HA )) 2.300 0.700 0.700 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.51559E-02 ppm1 3.825 ppm2 4.827 CV 1 ASSI { 1348} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 44 and name HA )) 3.500 1.500 1.500 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.24339E-02 ppm1 3.939 ppm2 4.794 CV 1 ASSI { 1349} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HB3 )) 3.300 1.400 1.400 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.21129E-02 ppm1 3.936 ppm2 2.095 CV 1 OR { 1349} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HG3 )) ASSI { 1351} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 44 and name HB3 )) 3.800 1.800 1.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.53075E-03 ppm1 3.929 ppm2 2.009 CV 1 ASSI { 1352} (( segid " " and resid 44 and name HD3 )) (( segid " " and resid 44 and name HB2 )) 3.600 1.600 1.600 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.16301E-02 ppm1 3.802 ppm2 2.564 CV 1 ASSI { 1354} (( segid " " and resid 44 and name HD3 )) (( segid " " and resid 44 and name HG2 )) 2.100 0.500 0.500 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.14078E-01 ppm1 3.781 ppm2 2.113 CV 1 OR { 1354} (( segid " " and resid 44 and name HD3 )) (( segid " " and resid 44 and name HG3 )) ASSI { 1355} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 47 and name HG3 )) 3.700 1.700 1.700 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.11525E-02 ppm1 4.124 ppm2 2.252 CV 1 ASSI { 1357} (( segid " " and resid 44 and name HD3 )) ( segid " " and resid 43 and name HG1%) 3.500 1.500 1.500 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.23859E-02 ppm1 3.782 ppm2 1.098 CV 1 OR { 1357} (( segid " " and resid 44 and name HD3 )) ( segid " " and resid 43 and name HG2%) ASSI { 1359} (( segid " " and resid 44 and name HD3 )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.30834E-02 ppm1 3.783 ppm2 4.362 CV 1 ASSI { 1361} (( segid " " and resid 44 and name HD3 )) (( segid " " and resid 44 and name HD2 )) 2.000 0.500 0.500 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.72786E-02 ppm1 3.782 ppm2 4.127 CV 1 ASSI { 1363} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 43 and name HA )) 2.600 0.800 0.800 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.36900E-02 ppm1 4.125 ppm2 4.360 CV 1 ASSI { 1365} (( segid " " and resid 2 and name HA )) ( segid " " and resid 2 and name HB% ) 2.700 0.900 0.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.41702E-02 ppm1 4.436 ppm2 1.449 CV 1 ASSI { 1368} (( segid " " and resid 3 and name HA )) ( segid " " and resid 6 and name HD1%) 4.000 2.000 2.000 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.41197E-03 ppm1 4.295 ppm2 0.802 CV 1 ASSI { 1370} (( segid " " and resid 20 and name HA )) ( segid " " and resid 23 and name HG2%) 3.600 1.600 1.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.83908E-03 ppm1 4.049 ppm2 0.962 CV 1 ASSI { 1372} (( segid " " and resid 66 and name HA )) ( segid " " and resid 65 and name HB% ) 4.700 2.700 1.300 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.40438E-03 ppm1 4.559 ppm2 1.327 CV 1 ASSI { 1373} (( segid " " and resid 66 and name HA )) ( segid " " and resid 72 and name HD1%) 3.600 1.600 1.600 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.13016E-02 ppm1 4.559 ppm2 1.663 CV 1 ASSI { 1376} (( segid " " and resid 20 and name HA )) ( segid " " and resid 59 and name HD1%) 3.300 1.300 1.300 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.13117E-02 ppm1 4.048 ppm2 0.876 CV 1 OR { 1376} (( segid " " and resid 20 and name HA )) ( segid " " and resid 59 and name HD2%) ASSI { 1378} (( segid " " and resid 63 and name HA )) ( segid " " and resid 65 and name HB% ) 4.300 2.400 1.700 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.44988E-03 ppm1 4.215 ppm2 1.322 CV 1 ASSI { 1379} (( segid " " and resid 63 and name HA )) ( segid " " and resid 63 and name HB% ) 2.600 0.800 0.800 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.47768E-02 ppm1 4.215 ppm2 1.448 CV 1 ASSI { 1384} (( segid " " and resid 92 and name HA )) (( segid " " and resid 96 and name HG3 )) 2.400 2.400 3.600 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.70516E-02 ppm1 4.246 ppm2 1.563 CV 1 ASSI { 1385} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HG3 )) 4.200 2.200 1.800 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.34373E-03 ppm1 4.149 ppm2 2.639 CV 1 OR { 1385} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HG2 )) ASSI { 1387} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HD3 )) 4.000 2.000 2.000 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.26538E-03 ppm1 3.931 ppm2 3.170 CV 1 ASSI { 1388} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HB3 )) 2.800 1.000 1.000 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.38669E-02 ppm1 3.930 ppm2 1.787 CV 1 OR { 1388} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HB2 )) ASSI { 1390} (( segid " " and resid 18 and name HA )) (( segid " " and resid 35 and name HB2 )) 3.200 1.300 1.300 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.16277E-02 ppm1 4.316 ppm2 2.181 CV 1 ASSI { 1394} (( segid " " and resid 92 and name HA )) ( segid " " and resid 92 and name HB% ) 2.200 0.600 0.600 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.11955E-01 ppm1 4.248 ppm2 1.645 CV 1 ASSI { 1395} (( segid " " and resid 18 and name HA )) ( segid " " and resid 39 and name HD1%) 2.600 0.900 0.900 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.10185E-01 ppm1 4.307 ppm2 0.983 CV 1 ASSI { 1396} (( segid " " and resid 92 and name HA )) (( segid " " and resid 95 and name HB3 )) 2.600 0.900 0.900 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.40692E-02 ppm1 4.249 ppm2 4.050 CV 1 OR { 1396} (( segid " " and resid 92 and name HA )) (( segid " " and resid 95 and name HB2 )) ASSI { 1397} (( segid " " and resid 92 and name HA )) (( segid " " and resid 96 and name HD3 )) 3.200 3.200 2.800 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.16757E-02 ppm1 4.255 ppm2 1.746 CV 1 OR { 1397} (( segid " " and resid 92 and name HA )) (( segid " " and resid 96 and name HD2 )) ASSI { 1398} (( segid " " and resid 18 and name HA )) ( segid " " and resid 30 and name HD1%) 1.700 0.400 0.500 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.42461E-01 ppm1 4.326 ppm2 0.879 CV 1 ASSI { 1399} (( segid " " and resid 6 and name HA )) ( segid " " and resid 6 and name HD1%) 3.200 1.300 1.300 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.23757E-02 ppm1 4.323 ppm2 0.796 CV 1 ASSI { 1404} (( segid " " and resid 74 and name HA )) ( segid " " and resid 77 and name HG2%) 4.200 2.200 1.800 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.57878E-03 ppm1 4.196 ppm2 1.235 CV 1 ASSI { 1405} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG3 )) 3.500 1.500 1.500 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.14456E-02 ppm1 4.310 ppm2 1.307 CV 1 ASSI { 1407} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HG3 )) 3.700 1.700 1.700 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.12865E-02 ppm1 4.329 ppm2 2.437 CV 1 OR { 1407} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HG2 )) ASSI { 1408} (( segid " " and resid 78 and name HA )) ( segid " " and resid 77 and name HG2%) 3.300 1.300 1.300 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.14634E-02 ppm1 4.083 ppm2 1.233 CV 1 ASSI { 1409} (( segid " " and resid 78 and name HA )) (( segid " " and resid 81 and name HB2 )) 3.200 1.300 1.300 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.10185E-02 ppm1 4.079 ppm2 1.998 CV 1 ASSI { 1410} (( segid " " and resid 78 and name HA )) (( segid " " and resid 81 and name HB3 )) 3.200 1.300 1.300 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.15518E-02 ppm1 4.083 ppm2 1.732 CV 1 OR { 1410} (( segid " " and resid 78 and name HA )) (( segid " " and resid 81 and name HD2 )) OR { 1410} (( segid " " and resid 78 and name HA )) (( segid " " and resid 81 and name HD3 )) ASSI { 1412} (( segid " " and resid 78 and name HA )) (( segid " " and resid 82 and name HB3 )) 2.900 2.900 3.100 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.23707E-02 ppm1 4.082 ppm2 1.618 CV 1 OR { 1412} (( segid " " and resid 78 and name HA )) (( segid " " and resid 82 and name HD3 )) ASSI { 1416} (( segid " " and resid 91 and name HA )) ( segid " " and resid 12 and name HD2%) 2.500 2.500 3.500 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.11323E-01 ppm1 3.873 ppm2 1.156 CV 1 ASSI { 1418} (( segid " " and resid 91 and name HA )) (( segid " " and resid 94 and name HB )) 2.600 0.800 0.800 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.28812E-02 ppm1 3.867 ppm2 1.901 CV 1 ASSI { 1419} (( segid " " and resid 91 and name HA )) ( segid " " and resid 94 and name HG2%) 3.200 1.300 1.300 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.37153E-02 ppm1 3.865 ppm2 0.964 CV 1 ASSI { 1420} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB3 )) 3.000 1.100 1.100 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.20599E-02 ppm1 4.537 ppm2 2.759 CV 1 OR { 1420} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) ASSI { 1422} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.800 1.000 1.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.31087E-02 ppm1 4.682 ppm2 3.347 CV 1 ASSI { 1423} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HD2 )) 3.700 1.700 1.700 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.11196E-02 ppm1 4.371 ppm2 3.223 CV 1 OR { 1423} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HD3 )) ASSI { 1425} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HD2%) 2.700 0.900 0.900 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.68743E-02 ppm1 4.461 ppm2 0.970 CV 1 OR { 1425} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HD1%) ASSI { 1427} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB3 )) 2.700 0.900 0.900 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.26285E-02 ppm1 4.459 ppm2 1.352 CV 1 ASSI { 1429} (( segid " " and resid 106 and name HA )) ( segid " " and resid 105 and name HG2%) 3.900 1.900 1.900 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.51054E-03 ppm1 4.371 ppm2 0.877 CV 1 ASSI { 1431} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB3 )) 2.700 0.900 0.900 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.42207E-02 ppm1 4.369 ppm2 1.912 CV 1 ASSI { 1439} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HG2 )) 5.400 3.700 0.600 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.52823E-04 ppm1 4.325 ppm2 1.563 CV 1 ASSI { 1440} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HB3 )) 2.900 2.900 3.100 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.56614E-02 ppm1 4.324 ppm2 1.637 CV 1 OR { 1440} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HD2 )) ASSI { 1441} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB3 )) 2.500 0.800 0.800 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.52317E-02 ppm1 4.323 ppm2 1.730 CV 1 ASSI { 1443} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HE2 )) 4.700 2.800 1.300 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.39428E-03 ppm1 4.323 ppm2 2.920 CV 1 OR { 1443} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HE3 )) ASSI { 1445} (( segid " " and resid 55 and name HA )) ( segid " " and resid 16 and name HD1%) 2.500 2.500 3.500 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.85171E-02 ppm1 4.219 ppm2 0.567 CV 1 ASSI { 1446} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG3 )) 2.900 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.27549E-02 ppm1 4.230 ppm2 1.748 CV 1 ASSI { 1447} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB3 )) 2.600 0.900 0.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.31845E-02 ppm1 4.223 ppm2 1.306 CV 1 ASSI { 1448} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB2 )) 3.000 1.100 1.100 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.24364E-02 ppm1 4.356 ppm2 2.146 CV 1 ASSI { 1449} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 2.600 0.900 0.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.56361E-02 ppm1 4.271 ppm2 1.832 CV 1 ASSI { 1450} (( segid " " and resid 104 and name HA )) ( segid " " and resid 103 and name HG2%) 3.200 3.200 2.800 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.60152E-03 ppm1 4.263 ppm2 1.218 CV 1 ASSI { 1451} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG3 )) 2.700 0.900 0.900 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.44230E-02 ppm1 4.272 ppm2 1.386 CV 1 OR { 1451} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG2 )) ASSI { 1452} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HD3 )) 3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.16757E-02 ppm1 4.273 ppm2 1.646 CV 1 OR { 1452} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HD2 )) ASSI { 1454} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB3 )) 2.700 0.900 0.900 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.23252E-02 ppm1 4.100 ppm2 1.314 CV 1 ASSI { 1455} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HD1%) 3.200 1.300 1.300 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.42966E-02 ppm1 4.102 ppm2 0.777 CV 1 ASSI { 1457} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HG )) 2.900 1.100 1.100 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.23581E-02 ppm1 4.105 ppm2 1.930 CV 1 ASSI { 1458} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HD2%) 3.100 1.200 1.200 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.11449E-02 ppm1 4.105 ppm2 0.608 CV 1 ASSI { 1463} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB2 )) 2.500 0.800 0.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.48021E-02 ppm1 3.454 ppm2 1.491 CV 1 ASSI { 1465} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB3 )) 2.800 0.900 0.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 3.456 ppm2 1.257 CV 1 ASSI { 1468} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.700 0.900 0.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.34120E-02 ppm1 4.482 ppm2 2.891 CV 1 ASSI { 1469} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB3 )) 2.700 0.900 0.900 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.37911E-02 ppm1 4.481 ppm2 3.010 CV 1 ASSI { 1472} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HD2 )) 2.800 1.000 1.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.17995E-02 ppm1 4.430 ppm2 3.721 CV 1 ASSI { 1473} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG3 )) 3.100 1.200 1.200 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.27801E-02 ppm1 4.431 ppm2 2.258 CV 1 ASSI { 1476} (( segid " " and resid 47 and name HA )) ( segid " " and resid 43 and name HG1%) 4.100 2.100 1.900 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.55603E-03 ppm1 4.428 ppm2 1.098 CV 1 OR { 1476} (( segid " " and resid 47 and name HA )) ( segid " " and resid 43 and name HG2%) ASSI { 1477} (( segid " " and resid 102 and name HA )) (( segid " " and resid 105 and name HB )) 2.900 1.000 1.000 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.21609E-02 ppm1 3.464 ppm2 1.846 CV 1 ASSI { 1479} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HD3 )) 3.900 1.900 1.900 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.53075E-03 ppm1 4.428 ppm2 3.498 CV 1 ASSI { 1480} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB3 )) 2.700 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.25274E-02 ppm1 4.429 ppm2 1.980 CV 1 ASSI { 1481} (( segid " " and resid 5 and name HA )) ( segid " " and resid 6 and name HD1%) 4.300 2.300 1.700 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.32604E-03 ppm1 4.286 ppm2 0.794 CV 1 ASSI { 1486} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG2 )) 4.000 2.000 2.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.36648E-03 ppm1 4.316 ppm2 2.605 CV 1 OR { 1486} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG3 )) ASSI { 1490} (( segid " " and resid 79 and name HA )) (( segid " " and resid 82 and name HB2 )) 4.900 3.000 1.100 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.43219E-03 ppm1 3.822 ppm2 1.748 CV 1 ASSI { 1491} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB2 )) 2.700 0.900 0.900 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.31340E-02 ppm1 3.823 ppm2 2.162 CV 1 ASSI { 1492} (( segid " " and resid 79 and name HA )) (( segid " " and resid 82 and name HB3 )) 3.500 1.500 1.500 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.18349E-02 ppm1 3.823 ppm2 1.602 CV 1 OR { 1492} (( segid " " and resid 79 and name HA )) (( segid " " and resid 82 and name HD2 )) OR { 1492} (( segid " " and resid 79 and name HA )) (( segid " " and resid 82 and name HD3 )) ASSI { 1494} (( segid " " and resid 79 and name HA )) (( segid " " and resid 82 and name HG2 )) 2.700 0.900 0.900 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.18324E-02 ppm1 3.822 ppm2 1.476 CV 1 ASSI { 1496} (( segid " " and resid 79 and name HA )) (( segid " " and resid 86 and name HG12)) 3.900 1.900 1.900 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.56361E-03 ppm1 3.828 ppm2 0.688 CV 1 OR { 1496} (( segid " " and resid 79 and name HA )) ( segid " " and resid 86 and name HD1%) ASSI { 1509} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG2 )) 3.500 1.600 1.600 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.90484E-03 ppm1 4.543 ppm2 2.480 CV 1 ASSI { 1510} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HG2 )) 3.000 1.100 1.100 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.14886E-02 ppm1 4.217 ppm2 2.490 CV 1 ASSI { 1512} (( segid " " and resid 35 and name HA )) ( segid " " and resid 39 and name HD1%) 3.400 1.400 1.400 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.38164E-02 ppm1 4.000 ppm2 0.963 CV 1 ASSI { 1514} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HG )) 3.800 1.800 1.800 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.68494E-03 ppm1 3.999 ppm2 1.903 CV 1 ASSI { 1517} (( segid " " and resid 35 and name HA )) (( segid " " and resid 30 and name HG13)) 4.100 2.100 1.900 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.45241E-03 ppm1 3.996 ppm2 1.200 CV 1 ASSI { 1518} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HB3 )) 3.400 1.500 1.500 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.41955E-02 ppm1 3.312 ppm2 1.312 CV 1 ASSI { 1519} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD2%) 2.300 0.700 0.700 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.61669E-02 ppm1 3.313 ppm2 0.896 CV 1 ASSI { 1521} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB3 )) 2.600 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.28560E-02 ppm1 3.312 ppm2 0.630 CV 1 ASSI { 1523} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HG )) 3.400 1.500 1.500 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.70261E-03 ppm1 3.316 ppm2 1.398 CV 1 ASSI { 1525} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB3 )) 3.000 1.200 1.200 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.15064E-02 ppm1 4.214 ppm2 2.081 CV 1 ASSI { 1526} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB2 )) 3.200 1.300 1.300 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.14937E-02 ppm1 4.217 ppm2 2.138 CV 1 ASSI { 1527} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB3 )) 3.000 1.100 1.100 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.24162E-02 ppm1 3.714 ppm2 2.140 CV 1 OR { 1527} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG )) ASSI { 1528} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HB2 )) 2.500 0.800 0.800 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.22190E-02 ppm1 3.317 ppm2 1.733 CV 1 ASSI { 1529} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HD2%) 2.000 0.500 0.500 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.11120E-01 ppm1 3.720 ppm2 1.018 CV 1 ASSI { 1530} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB2 )) 2.300 0.700 0.700 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.48021E-02 ppm1 3.712 ppm2 1.288 CV 1 ASSI { 1532} (( segid " " and resid 76 and name HA )) ( segid " " and resid 86 and name HD1%) 3.400 1.400 1.400 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.19815E-02 ppm1 3.716 ppm2 0.696 CV 1 ASSI { 1533} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB2 )) 2.900 1.000 1.000 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.30329E-02 ppm1 4.189 ppm2 2.746 CV 1 ASSI { 1538} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB3 )) 2.700 0.900 0.900 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.35131E-02 ppm1 4.190 ppm2 2.312 CV 1 ASSI { 1539} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB3 )) 2.400 0.700 0.700 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.38164E-02 ppm1 3.571 ppm2 1.275 CV 1 ASSI { 1542} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB3 )) 3.100 1.200 1.200 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.21761E-02 ppm1 3.903 ppm2 1.554 CV 1 ASSI { 1543} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 2.700 0.900 0.900 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.26032E-02 ppm1 3.904 ppm2 1.738 CV 1 OR { 1543} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HG )) ASSI { 1547} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.800 1.000 1.000 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 4.292 ppm2 3.328 CV 1 ASSI { 1548} (( segid " " and resid 34 and name HA )) ( segid " " and resid 34 and name HD2%) 2.500 0.800 0.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.61922E-02 ppm1 4.104 ppm2 0.913 CV 1 OR { 1548} (( segid " " and resid 34 and name HA )) ( segid " " and resid 34 and name HD1%) ASSI { 1549} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB3 )) 2.700 0.900 0.900 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.20725E-02 ppm1 4.296 ppm2 1.466 CV 1 ASSI { 1552} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG )) 3.300 1.300 1.300 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.10539E-02 ppm1 4.291 ppm2 1.245 CV 1 ASSI { 1553} (( segid " " and resid 72 and name HA )) ( segid " " and resid 72 and name HD1%) 3.600 1.600 1.600 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.14002E-02 ppm1 4.295 ppm2 1.683 CV 1 ASSI { 1556} (( segid " " and resid 15 and name HA )) ( segid " " and resid 39 and name HD1%) 2.500 0.800 0.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.46504E-02 ppm1 4.076 ppm2 0.991 CV 1 OR { 1556} (( segid " " and resid 15 and name HA )) ( segid " " and resid 39 and name HD2%) ASSI { 1562} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG2 )) 2.600 0.900 0.900 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.38417E-02 ppm1 4.100 ppm2 2.732 CV 1 ASSI { 1566} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HD2 )) 3.200 1.200 1.200 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.26032E-02 ppm1 4.484 ppm2 3.838 CV 1 ASSI { 1570} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HG2 )) 2.400 0.700 0.700 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.48779E-02 ppm1 3.942 ppm2 2.659 CV 1 ASSI { 1572} (( segid " " and resid 90 and name HA )) ( segid " " and resid 12 and name HD2%) 2.900 1.000 1.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.20674E-02 ppm1 3.941 ppm2 1.146 CV 1 ASSI { 1573} (( segid " " and resid 90 and name HA )) (( segid " " and resid 93 and name HB )) 3.000 1.100 1.100 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.17970E-02 ppm1 3.941 ppm2 2.373 CV 1 ASSI { 1575} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB3 )) 2.800 1.000 1.000 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.18956E-02 ppm1 3.938 ppm2 1.616 CV 1 ASSI { 1576} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) 2.600 0.800 0.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.45746E-02 ppm1 4.484 ppm2 2.021 CV 1 OR { 1576} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB3 )) ASSI { 1578} (( segid " " and resid 90 and name HA )) ( segid " " and resid 93 and name HG1%) 3.800 1.800 1.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.55098E-03 ppm1 3.936 ppm2 1.038 CV 1 ASSI { 1579} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) 2.400 0.700 0.700 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.58888E-02 ppm1 4.010 ppm2 1.923 CV 1 OR { 1579} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB3 )) ASSI { 1581} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HD2 )) 3.900 1.900 1.900 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.12687E-02 ppm1 4.008 ppm2 1.690 CV 1 OR { 1581} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HD3 )) ASSI { 1582} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HG2 )) 2.700 0.900 0.900 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.28812E-02 ppm1 4.009 ppm2 1.503 CV 1 ASSI { 1583} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) 2.300 0.700 0.700 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.87952E-02 ppm1 4.184 ppm2 2.114 CV 1 OR { 1583} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB3 )) ASSI { 1585} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB2 )) 2.500 0.800 0.800 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.50295E-02 ppm1 3.993 ppm2 1.938 CV 1 OR { 1585} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB3 )) ASSI { 1586} (( segid " " and resid 73 and name HA )) ( segid " " and resid 76 and name HD2%) 4.100 2.100 1.900 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.10211E-02 ppm1 4.113 ppm2 1.034 CV 1 ASSI { 1587} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB2 )) 2.400 0.700 0.700 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.70764E-02 ppm1 4.115 ppm2 2.172 CV 1 OR { 1587} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB3 )) ASSI { 1588} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB2 )) 3.900 1.900 1.900 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.39428E-03 ppm1 4.115 ppm2 1.271 CV 1 ASSI { 1591} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HG3 )) 2.900 1.100 1.100 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.32098E-02 ppm1 4.017 ppm2 1.546 CV 1 ASSI { 1597} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB2 )) 2.500 0.800 0.800 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.48779E-02 ppm1 4.362 ppm2 3.409 CV 1 OR { 1597} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB3 )) ASSI { 1598} (( segid " " and resid 36 and name HA )) ( segid " " and resid 43 and name HG1%) 2.300 2.300 3.700 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.12839E-01 ppm1 2.782 ppm2 1.120 CV 1 ASSI { 1599} (( segid " " and resid 98 and name HA )) (( segid " " and resid 101 and name HB2 )) 3.000 1.100 1.100 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.18703E-02 ppm1 4.365 ppm2 2.743 CV 1 ASSI { 1601} (( segid " " and resid 36 and name HA )) (( segid " " and resid 40 and name HB2 )) 3.700 1.700 1.700 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.62680E-03 ppm1 2.769 ppm2 3.224 CV 1 ASSI { 1602} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB3 )) 2.700 0.900 0.900 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.35637E-02 ppm1 2.772 ppm2 1.299 CV 1 OR { 1602} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG3 )) ASSI { 1604} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.11929E-02 ppm1 3.753 ppm2 1.783 CV 1 OR { 1604} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB3 )) ASSI { 1608} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HG3 )) 5.200 3.400 0.800 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.98067E-04 ppm1 3.853 ppm2 0.529 CV 1 ASSI { 1610} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HD2 )) 2.500 2.500 3.500 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.11803E-01 ppm1 3.854 ppm2 1.368 CV 1 OR { 1610} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HD3 )) ASSI { 1615} (( segid " " and resid 43 and name HA )) (( segid " " and resid 44 and name HA )) 6.000 5.400 0.000 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.19789E-04 ppm1 4.366 ppm2 4.784 CV 1 ASSI { 1616} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HG2 )) 5.200 3.300 0.800 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.20725E-03 ppm1 3.853 ppm2 1.464 CV 1 ASSI { 1623} (( segid " " and resid 99 and name HA )) (( segid " " and resid 102 and name HG3 )) 6.000 6.000 0.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.21382E-04 ppm1 3.848 ppm2 1.074 CV 1 ASSI { 1624} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HG )) 5.800 4.300 0.200 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.43219E-04 ppm1 4.544 ppm2 1.231 CV 1 ASSI { 1630} (( segid " " and resid 56 and name HA )) ( segid " " and resid 52 and name HD2%) 4.100 2.100 1.900 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.24819E-03 ppm1 3.755 ppm2 0.919 CV 1 OR { 1630} (( segid " " and resid 56 and name HA )) ( segid " " and resid 52 and name HD1%) ASSI { 1632} (( segid " " and resid 36 and name HA )) ( segid " " and resid 39 and name HD1%) 3.700 1.700 1.700 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.87193E-03 ppm1 2.769 ppm2 0.999 CV 1 OR { 1632} (( segid " " and resid 36 and name HA )) ( segid " " and resid 39 and name HD2%) ASSI { 1634} (( segid " " and resid 75 and name HA )) ( segid " " and resid 97 and name HE% ) 3.800 3.800 2.200 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.14305E-02 ppm1 4.454 ppm2 7.222 CV 1 ASSI { 1635} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HD% ) 2.900 1.100 1.100 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.22924E-02 ppm1 4.453 ppm2 7.122 CV 1 ASSI { 1636} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.500 0.800 0.800 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.37911E-02 ppm1 4.455 ppm2 3.316 CV 1 ASSI { 1639} (( segid " " and resid 75 and name HA )) ( segid " " and resid 74 and name HB% ) 3.400 1.500 1.500 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.11449E-02 ppm1 4.452 ppm2 1.587 CV 1 ASSI { 1640} (( segid " " and resid 51 and name HA )) (( segid " " and resid 55 and name HB2 )) 3.300 3.300 2.700 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.14508E-02 ppm1 4.239 ppm2 1.734 CV 1 OR { 1640} (( segid " " and resid 51 and name HA )) (( segid " " and resid 55 and name HG3 )) ASSI { 1641} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.400 0.700 0.700 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.63943E-02 ppm1 4.238 ppm2 3.197 CV 1 ASSI { 1643} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB3 )) 2.300 0.700 0.700 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.10286E-01 ppm1 4.233 ppm2 2.918 CV 1 ASSI { 1644} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HB2 )) 4.100 2.100 1.900 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.84164E-03 ppm1 4.484 ppm2 1.317 CV 1 ASSI { 1649} (( segid " " and resid 48 and name HA )) ( segid " " and resid 43 and name HG2%) 2.500 0.800 0.800 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.55603E-02 ppm1 4.224 ppm2 1.105 CV 1 OR { 1649} (( segid " " and resid 48 and name HA )) ( segid " " and resid 43 and name HG1%) ASSI { 1650} (( segid " " and resid 97 and name HA )) ( segid " " and resid 16 and name HD2%) 3.100 1.200 1.200 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 4.373 ppm2 0.643 CV 1 ASSI { 1652} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB3 )) 2.500 0.800 0.800 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.43724E-02 ppm1 4.374 ppm2 3.394 CV 1 ASSI { 1653} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB2 )) 2.800 1.000 1.000 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.35637E-02 ppm1 4.375 ppm2 3.536 CV 1 ASSI { 1654} (( segid " " and resid 97 and name HA )) (( segid " " and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.46504E-03 ppm1 4.372 ppm2 2.054 CV 1 OR { 1654} (( segid " " and resid 97 and name HA )) (( segid " " and resid 96 and name HB3 )) ASSI { 1655} (( segid " " and resid 97 and name HA )) ( segid " " and resid 97 and name HD% ) 2.700 0.900 0.900 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.68743E-02 ppm1 4.371 ppm2 7.304 CV 1 ASSI { 1656} (( segid " " and resid 97 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.600 2.600 3.400 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.44482E-02 ppm1 4.373 ppm2 3.886 CV 1 OR { 1656} (( segid " " and resid 97 and name HA )) (( segid " " and resid 100 and name HB3 )) ASSI { 1659} (( segid " " and resid 105 and name HA )) ( segid " " and resid 105 and name HG2%) 1.900 0.400 0.400 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.33109E-01 ppm1 4.099 ppm2 0.877 CV 1 ASSI { 1661} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HG13)) 3.100 1.200 1.200 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.12334E-02 ppm1 4.098 ppm2 1.462 CV 1 ASSI { 1663} (( segid " " and resid 37 and name HA )) (( segid " " and resid 41 and name HB3 )) 3.500 1.500 1.500 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.72786E-03 ppm1 3.768 ppm2 1.936 CV 1 OR { 1663} (( segid " " and resid 37 and name HA )) (( segid " " and resid 41 and name HG3 )) ASSI { 1665} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB3 )) 2.600 0.900 0.900 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.38164E-02 ppm1 3.997 ppm2 1.933 CV 1 OR { 1665} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HG3 )) ASSI { 1667} (( segid " " and resid 88 and name HA )) ( segid " " and resid 80 and name HG2%) 3.000 1.100 1.100 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.25780E-02 ppm1 4.177 ppm2 1.196 CV 1 ASSI { 1668} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HG2 )) 3.100 1.200 1.200 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.20750E-02 ppm1 4.001 ppm2 1.647 CV 1 ASSI { 1669} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB2 )) 3.400 1.400 1.400 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.93264E-03 ppm1 4.176 ppm2 4.027 CV 1 OR { 1669} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB3 )) ASSI { 1671} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD1%) 4.700 2.800 1.300 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.15872E-03 ppm1 3.996 ppm2 0.943 CV 1 ASSI { 1672} (( segid " " and resid 49 and name HA )) (( segid " " and resid 56 and name HB3 )) 4.300 2.300 1.700 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.51306E-03 ppm1 4.018 ppm2 1.763 CV 1 OR { 1672} (( segid " " and resid 49 and name HA )) (( segid " " and resid 56 and name HB2 )) ASSI { 1673} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB3 )) 3.000 1.100 1.100 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.31087E-02 ppm1 3.986 ppm2 0.641 CV 1 ASSI { 1675} (( segid " " and resid 13 and name HA )) (( segid " " and resid 10 and name HA )) 3.400 3.400 2.600 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.21736E-02 ppm1 4.111 ppm2 4.488 CV 1 ASSI { 1676} (( segid " " and resid 13 and name HA )) ( segid " " and resid 16 and name HD2%) 3.300 1.300 1.300 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.91995E-03 ppm1 4.109 ppm2 0.638 CV 1 ASSI { 1677} (( segid " " and resid 13 and name HA )) ( segid " " and resid 93 and name HG2%) 3.500 1.500 1.500 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.14103E-02 ppm1 4.109 ppm2 1.275 CV 1 ASSI { 1679} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB3 )) 2.100 0.600 0.600 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.11374E-01 ppm1 4.108 ppm2 3.995 CV 1 OR { 1679} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) ASSI { 1680} (( segid " " and resid 13 and name HA )) ( segid " " and resid 93 and name HG1%) 1.700 0.400 0.500 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.35637E-01 ppm1 4.107 ppm2 1.030 CV 1 ASSI { 1681} (( segid " " and resid 13 and name HB3 )) ( segid " " and resid 93 and name HG1%) 2.900 1.000 1.000 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.35637E-02 ppm1 3.989 ppm2 1.029 CV 1 OR { 1681} (( segid " " and resid 13 and name HB2 )) ( segid " " and resid 93 and name HG1%) ASSI { 1682} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 96 and name HG2 )) 2.800 1.000 1.000 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.25780E-02 ppm1 4.043 ppm2 1.654 CV 1 OR { 1682} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 96 and name HG2 )) ASSI { 1683} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HA )) 2.200 0.600 0.600 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.10590E-01 ppm1 4.047 ppm2 4.243 CV 1 OR { 1683} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 95 and name HA )) ASSI { 1684} (( segid " " and resid 13 and name HB3 )) ( segid " " and resid 93 and name HG2%) 2.600 0.900 0.900 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.36648E-02 ppm1 3.982 ppm2 1.261 CV 1 OR { 1684} (( segid " " and resid 13 and name HB2 )) ( segid " " and resid 93 and name HG2%) ASSI { 1686} (( segid " " and resid 95 and name HB2 )) ( segid " " and resid 91 and name HB% ) 4.300 2.300 1.700 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.29570E-03 ppm1 4.049 ppm2 1.480 CV 1 OR { 1686} (( segid " " and resid 95 and name HB3 )) ( segid " " and resid 91 and name HB% ) ASSI { 1688} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HA )) 2.200 0.600 0.600 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.11904E-01 ppm1 3.957 ppm2 4.243 CV 1 OR { 1688} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 64 and name HA )) ASSI { 1689} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 3.000 1.200 1.200 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.16984E-02 ppm1 3.964 ppm2 3.779 CV 1 OR { 1689} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 37 and name HA )) ASSI { 1692} (( segid " " and resid 103 and name HA )) ( segid " " and resid 103 and name HG2%) 2.800 0.900 0.900 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.34373E-02 ppm1 4.176 ppm2 1.224 CV 1 ASSI { 1694} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) 2.200 0.600 0.600 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.10185E-01 ppm1 3.981 ppm2 3.364 CV 1 OR { 1694} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB3 )) ASSI { 1697} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB3 )) 2.700 0.900 0.900 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.35637E-02 ppm1 4.508 ppm2 2.019 CV 1 OR { 1697} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG3 )) ASSI { 1698} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB2 )) 2.900 1.000 1.000 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.36394E-02 ppm1 4.509 ppm2 2.306 CV 1 ASSI { 1700} (( segid " " and resid 62 and name HA )) (( segid " " and resid 67 and name HG3 )) 3.700 1.700 1.700 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 3.222 ppm2 2.274 CV 1 ASSI { 1704} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB )) 2.900 1.000 1.000 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.24137E-02 ppm1 3.221 ppm2 1.243 CV 1 ASSI { 1705} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HG13)) 2.900 1.100 1.100 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.20573E-02 ppm1 3.216 ppm2 0.782 CV 1 ASSI { 1710} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG13)) 2.600 0.800 0.800 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.23808E-02 ppm1 3.876 ppm2 1.135 CV 1 ASSI { 1711} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG12)) 3.400 1.400 1.400 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.20219E-02 ppm1 3.876 ppm2 1.799 CV 1 ASSI { 1713} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HD2 )) 3.800 1.800 1.800 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.95031E-03 ppm1 4.450 ppm2 3.719 CV 1 ASSI { 1714} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB )) 3.000 1.100 1.100 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.16453E-02 ppm1 3.876 ppm2 2.015 CV 1 ASSI { 1715} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB3 )) 2.700 0.900 0.900 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.27801E-02 ppm1 4.452 ppm2 1.951 CV 1 ASSI { 1716} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HG3 )) 3.200 1.200 1.200 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.43471E-02 ppm1 4.453 ppm2 2.104 CV 1 ASSI { 1717} (( segid " " and resid 50 and name HA )) ( segid " " and resid 53 and name HB% ) 2.600 0.800 0.800 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.46251E-02 ppm1 4.453 ppm2 1.418 CV 1 ASSI { 1718} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB2 )) 2.800 0.900 0.900 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.51306E-02 ppm1 4.452 ppm2 2.321 CV 1 ASSI { 1719} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HD3 )) 3.300 1.400 1.400 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 4.451 ppm2 3.487 CV 1 ASSI { 1720} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HD3 )) 3.700 1.700 1.700 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.65965E-03 ppm1 3.997 ppm2 3.041 CV 1 ASSI { 1721} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB3 )) 2.700 0.900 0.900 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.29318E-02 ppm1 3.996 ppm2 1.949 CV 1 OR { 1721} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HG3 )) ASSI { 1722} (( segid " " and resid 41 and name HA )) (( segid " " and resid 37 and name HA )) 3.000 1.100 1.100 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.17692E-02 ppm1 3.998 ppm2 3.776 CV 1 ASSI { 1724} (( segid " " and resid 94 and name HA )) ( segid " " and resid 94 and name HG2%) 2.300 0.600 0.600 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.72538E-02 ppm1 3.690 ppm2 0.950 CV 1 OR { 1724} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HG12)) ASSI { 1725} (( segid " " and resid 94 and name HA )) ( segid " " and resid 16 and name HD2%) 2.600 0.900 0.900 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.35384E-02 ppm1 3.690 ppm2 0.638 CV 1 ASSI { 1727} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HG13)) 2.700 0.900 0.900 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.47515E-02 ppm1 3.689 ppm2 1.973 CV 1 ASSI { 1728} (( segid " " and resid 94 and name HA )) (( segid " " and resid 97 and name HB3 )) 2.900 1.000 1.000 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.18602E-02 ppm1 3.690 ppm2 3.406 CV 1 ASSI { 1730} (( segid " " and resid 11 and name HA )) ( segid " " and resid 39 and name HD2%) 2.700 0.900 0.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.30329E-02 ppm1 4.313 ppm2 0.968 CV 1 ASSI { 1731} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.700 0.900 0.900 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.50043E-02 ppm1 4.314 ppm2 1.918 CV 1 OR { 1731} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG3 )) ASSI { 1734} (( segid " " and resid 11 and name HA )) (( segid " " and resid 39 and name HB3 )) 2.900 1.000 1.000 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.17439E-02 ppm1 4.309 ppm2 1.356 CV 1 ASSI { 1736} (( segid " " and resid 93 and name HA )) (( segid " " and resid 96 and name HG3 )) 3.300 1.300 1.300 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.66471E-03 ppm1 3.747 ppm2 1.559 CV 1 ASSI { 1743} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HD3 )) 3.400 1.400 1.400 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.12334E-02 ppm1 4.254 ppm2 3.867 CV 1 ASSI { 1745} (( segid " " and resid 45 and name HA )) (( segid " " and resid 36 and name HB3 )) 4.300 2.300 1.700 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.37911E-03 ppm1 4.246 ppm2 1.274 CV 1 OR { 1745} (( segid " " and resid 45 and name HA )) (( segid " " and resid 36 and name HG3 )) ASSI { 1746} (( segid " " and resid 45 and name HA )) ( segid " " and resid 43 and name HG1%) 3.300 1.400 1.400 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 4.244 ppm2 1.107 CV 1 ASSI { 1748} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB3 )) 2.700 0.900 0.900 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 4.242 ppm2 2.093 CV 1 OR { 1748} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG3 )) ASSI { 1749} (( segid " " and resid 45 and name HA )) (( segid " " and resid 36 and name HD3 )) 3.000 1.200 1.200 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.23404E-02 ppm1 4.241 ppm2 2.699 CV 1 ASSI { 1751} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HB2 )) 2.800 1.000 1.000 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.28054E-02 ppm1 4.242 ppm2 3.004 CV 1 OR { 1751} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HB3 )) ASSI { 1752} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HG2%) 2.600 0.900 0.900 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.43724E-02 ppm1 3.865 ppm2 1.227 CV 1 ASSI { 1754} (( segid " " and resid 77 and name HB )) ( segid " " and resid 77 and name HG2%) 2.500 0.800 0.800 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.55350E-02 ppm1 4.298 ppm2 1.235 CV 1 ASSI { 1756} (( segid " " and resid 77 and name HB )) (( segid " " and resid 77 and name HA )) 3.400 1.400 1.400 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.10489E-02 ppm1 4.299 ppm2 3.869 CV 1 ASSI { 1757} (( segid " " and resid 23 and name HB )) (( segid " " and resid 23 and name HA )) 2.900 1.100 1.100 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.20017E-02 ppm1 3.900 ppm2 4.009 CV 1 ASSI { 1758} (( segid " " and resid 23 and name HB )) ( segid " " and resid 23 and name HG2%) 3.000 1.100 1.100 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.18071E-02 ppm1 3.902 ppm2 0.978 CV 1 ASSI { 1760} (( segid " " and resid 80 and name HB )) (( segid " " and resid 86 and name HG12)) 4.700 2.800 1.300 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.30076E-03 ppm1 4.303 ppm2 0.695 CV 1 OR { 1760} (( segid " " and resid 80 and name HB )) ( segid " " and resid 86 and name HD1%) ASSI { 1761} (( segid " " and resid 80 and name HB )) ( segid " " and resid 80 and name HG2%) 2.400 0.700 0.700 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.64449E-02 ppm1 4.302 ppm2 1.197 CV 1 ASSI { 1762} (( segid " " and resid 80 and name HB )) (( segid " " and resid 80 and name HA )) 2.500 0.800 0.800 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.46757E-02 ppm1 4.303 ppm2 4.974 CV 1 ASSI { 1763} (( segid " " and resid 80 and name HB )) ( segid " " and resid 91 and name HB% ) 3.800 1.800 1.800 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.10817E-02 ppm1 4.301 ppm2 1.488 CV 1 ASSI { 1765} (( segid " " and resid 31 and name HB )) ( segid " " and resid 34 and name HD1%) 3.100 1.200 1.200 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.24238E-02 ppm1 4.467 ppm2 0.900 CV 1 OR { 1765} (( segid " " and resid 31 and name HB )) ( segid " " and resid 34 and name HD2%) ASSI { 3} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA1 )) 4.700 2.700 1.300 peak 3 spectrum 1 weight 0.10000E+01 volume 0.16796E-03 ppm1 7.972 ppm2 3.882 CV 1 ASSI { 4} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB3 )) 5.400 3.600 0.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.92647E-04 ppm1 7.982 ppm2 1.779 CV 1 OR { 4} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) ASSI { 5} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HD1%) 2.900 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.24989E-02 ppm1 7.986 ppm2 0.763 CV 1 ASSI { 6} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HG3 )) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.75311E-03 ppm1 7.708 ppm2 1.294 CV 1 ASSI { 7} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HB2 )) 3.200 1.300 1.300 peak 7 spectrum 1 weight 0.10000E+01 volume 0.83190E-03 ppm1 7.706 ppm2 2.026 CV 1 OR { 7} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HB3 )) ASSI { 8} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HB2 )) 3.700 1.700 1.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.11502E-02 ppm1 7.711 ppm2 1.737 CV 1 ASSI { 9} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HD2 )) 2.900 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 7.712 ppm2 1.611 CV 1 OR { 9} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HD3 )) ASSI { 11} (( segid " " and resid 85 and name HN )) ( segid " " and resid 86 and name HG2%) 3.700 1.700 1.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.13897E-02 ppm1 7.713 ppm2 0.768 CV 1 ASSI { 12} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA2 )) 2.700 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.39705E-02 ppm1 8.519 ppm2 3.966 CV 1 OR { 12} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA1 )) ASSI { 13} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.800 1.000 1.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.26785E-02 ppm1 8.519 ppm2 4.292 CV 1 ASSI { 14} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA2 )) 2.300 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.69643E-02 ppm1 7.711 ppm2 4.268 CV 1 ASSI { 15} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA1 )) 2.300 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.79093E-02 ppm1 7.710 ppm2 4.034 CV 1 ASSI { 16} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HN )) 2.900 1.100 1.100 peak 16 spectrum 1 weight 0.10000E+01 volume 0.20167E-02 ppm1 7.712 ppm2 9.183 CV 1 ASSI { 17} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA2 )) 2.900 1.100 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.18686E-02 ppm1 7.711 ppm2 3.875 CV 1 ASSI { 18} (( segid " " and resid 4 and name HN )) ( segid " " and resid 3 and name HB% ) 3.300 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 8.520 ppm2 1.427 CV 1 ASSI { 19} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HG2 )) 4.100 2.100 1.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.95481E-03 ppm1 7.713 ppm2 1.448 CV 1 ASSI { 20} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA1 )) 3.200 1.300 1.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.14086E-02 ppm1 8.203 ppm2 3.844 CV 1 ASSI { 21} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.600 1.600 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.64599E-03 ppm1 8.403 ppm2 2.320 CV 1 ASSI { 22} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 3.300 1.300 1.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.92647E-03 ppm1 8.409 ppm2 8.130 CV 1 ASSI { 23} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.900 1.100 1.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.20262E-02 ppm1 8.399 ppm2 4.503 CV 1 ASSI { 24} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA2 )) 3.200 1.300 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.12384E-02 ppm1 8.204 ppm2 4.006 CV 1 ASSI { 25} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HG3 )) 3.600 1.600 1.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.10304E-02 ppm1 8.405 ppm2 2.040 CV 1 OR { 25} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB3 )) OR { 25} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HG2 )) ASSI { 26} (( segid " " and resid 90 and name HE22)) (( segid " " and resid 90 and name HG2 )) 3.400 1.400 1.400 peak 26 spectrum 1 weight 0.10000E+01 volume 0.18245E-02 ppm1 7.639 ppm2 2.670 CV 1 ASSI { 27} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA2 )) 2.800 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.28676E-02 ppm1 8.402 ppm2 3.969 CV 1 OR { 27} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA1 )) ASSI { 28} (( segid " " and resid 90 and name HE21)) (( segid " " and resid 55 and name HG3 )) 3.400 1.500 1.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.90752E-03 ppm1 6.892 ppm2 1.729 CV 1 ASSI { 29} (( segid " " and resid 90 and name HE22)) (( segid " " and resid 90 and name HE21)) 2.100 0.500 0.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.62393E-02 ppm1 7.639 ppm2 6.894 CV 1 ASSI { 30} (( segid " " and resid 90 and name HE22)) (( segid " " and resid 90 and name HG3 )) 3.800 1.800 1.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 7.637 ppm2 2.479 CV 1 ASSI { 31} (( segid " " and resid 90 and name HE21)) (( segid " " and resid 90 and name HG3 )) 3.100 1.200 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.11785E-02 ppm1 6.896 ppm2 2.489 CV 1 ASSI { 33} (( segid " " and resid 90 and name HE21)) ( segid " " and resid 12 and name HD1%) 3.000 1.100 1.100 peak 33 spectrum 1 weight 0.10000E+01 volume 0.16291E-02 ppm1 6.901 ppm2 1.297 CV 1 ASSI { 34} (( segid " " and resid 90 and name HE22)) (( segid " " and resid 90 and name HB3 )) 3.400 1.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.20640E-02 ppm1 7.648 ppm2 1.598 CV 1 ASSI { 35} (( segid " " and resid 90 and name HE22)) ( segid " " and resid 12 and name HD1%) 3.500 1.500 1.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.71530E-03 ppm1 7.640 ppm2 1.288 CV 1 ASSI { 36} (( segid " " and resid 90 and name HE21)) (( segid " " and resid 90 and name HG2 )) 3.300 1.400 1.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.88550E-03 ppm1 6.898 ppm2 2.654 CV 1 OR { 36} (( segid " " and resid 90 and name HE21)) (( segid " " and resid 90 and name HB2 )) ASSI { 40} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) 2.700 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.26659E-02 ppm1 8.112 ppm2 8.718 CV 1 ASSI { 41} (( segid " " and resid 87 and name HN )) (( segid " " and resid 90 and name HE21)) 3.100 1.200 1.200 peak 41 spectrum 1 weight 0.10000E+01 volume 0.20231E-02 ppm1 8.288 ppm2 6.869 CV 1 ASSI { 44} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA1 )) 2.800 1.000 1.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.45062E-02 ppm1 8.112 ppm2 3.862 CV 1 ASSI { 45} (( segid " " and resid 14 and name HN )) (( segid " " and resid 11 and name HA )) 3.200 1.300 1.300 peak 45 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 8.111 ppm2 4.313 CV 1 ASSI { 47} (( segid " " and resid 14 and name HN )) ( segid " " and resid 39 and name HD2%) 3.200 1.300 1.300 peak 47 spectrum 1 weight 0.10000E+01 volume 0.15157E-02 ppm1 8.112 ppm2 0.970 CV 1 OR { 47} (( segid " " and resid 14 and name HN )) ( segid " " and resid 39 and name HD1%) ASSI { 48} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HN )) 4.100 2.100 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.48528E-03 ppm1 8.114 ppm2 7.520 CV 1 ASSI { 49} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HA )) 2.100 2.100 3.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.19411E-01 ppm1 8.112 ppm2 4.631 CV 1 ASSI { 50} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HN )) 4.700 2.800 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.24485E-03 ppm1 8.276 ppm2 9.327 CV 1 ASSI { 51} (( segid " " and resid 87 and name HN )) (( segid " " and resid 91 and name HN )) 4.000 2.000 2.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.67749E-03 ppm1 8.279 ppm2 8.705 CV 1 ASSI { 52} (( segid " " and resid 87 and name HN )) (( segid " " and resid 90 and name HB2 )) 2.300 0.700 0.700 peak 52 spectrum 1 weight 0.10000E+01 volume 0.42856E-02 ppm1 8.277 ppm2 2.604 CV 1 ASSI { 53} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB )) 2.300 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.41281E-02 ppm1 8.278 ppm2 2.290 CV 1 ASSI { 54} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HA )) 2.300 0.600 0.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.72477E-02 ppm1 8.277 ppm2 4.867 CV 1 ASSI { 55} (( segid " " and resid 87 and name HN )) ( segid " " and resid 86 and name HG2%) 3.400 1.400 1.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.31071E-02 ppm1 8.277 ppm2 0.736 CV 1 ASSI { 56} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HG13)) 2.600 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.45692E-02 ppm1 8.277 ppm2 1.307 CV 1 ASSI { 57} (( segid " " and resid 87 and name HN )) (( segid " " and resid 90 and name HB3 )) 3.600 1.600 1.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.23917E-02 ppm1 8.279 ppm2 1.605 CV 1 ASSI { 58} (( segid " " and resid 87 and name HN )) (( segid " " and resid 90 and name HN )) 3.400 1.400 1.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.12384E-02 ppm1 8.277 ppm2 7.708 CV 1 ASSI { 59} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HN )) 3.600 1.600 1.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 8.282 ppm2 7.334 CV 1 ASSI { 60} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG3 )) 3.600 1.600 1.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.91068E-03 ppm1 8.470 ppm2 2.310 CV 1 OR { 60} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG2 )) ASSI { 61} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA1 )) 2.700 0.900 0.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.34348E-02 ppm1 8.470 ppm2 4.088 CV 1 ASSI { 62} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA2 )) 2.800 1.000 1.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.29873E-02 ppm1 8.471 ppm2 3.965 CV 1 ASSI { 63} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 2.700 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.40335E-02 ppm1 8.471 ppm2 4.270 CV 1 ASSI { 65} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.200 1.300 1.300 peak 65 spectrum 1 weight 0.10000E+01 volume 0.98000E-03 ppm1 8.468 ppm2 2.124 CV 1 ASSI { 66} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA2 )) 2.200 0.600 0.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.95165E-02 ppm1 8.521 ppm2 4.034 CV 1 OR { 66} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA1 )) ASSI { 69} (( segid " " and resid 38 and name HE21)) (( segid " " and resid 34 and name HG )) 4.200 2.200 1.800 peak 69 spectrum 1 weight 0.10000E+01 volume 0.19947E-03 ppm1 6.714 ppm2 1.567 CV 1 ASSI { 70} (( segid " " and resid 38 and name HE21)) ( segid " " and resid 34 and name HD1%) 3.400 1.500 1.500 peak 70 spectrum 1 weight 0.10000E+01 volume 0.67120E-03 ppm1 6.722 ppm2 0.900 CV 1 OR { 70} (( segid " " and resid 38 and name HE21)) ( segid " " and resid 34 and name HD2%) ASSI { 71} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 5.800 4.300 0.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.40020E-04 ppm1 8.307 ppm2 2.764 CV 1 ASSI { 72} (( segid " " and resid 38 and name HE22)) (( segid " " and resid 38 and name HG2 )) 4.400 2.400 1.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.55776E-03 ppm1 7.313 ppm2 2.504 CV 1 ASSI { 73} (( segid " " and resid 38 and name HE21)) (( segid " " and resid 38 and name HG3 )) 3.300 1.400 1.400 peak 73 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 6.716 ppm2 2.367 CV 1 ASSI { 74} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HG2 )) 4.600 2.600 1.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.24579E-03 ppm1 8.303 ppm2 2.484 CV 1 ASSI { 75} (( segid " " and resid 38 and name HE22)) (( segid " " and resid 38 and name HG3 )) 4.000 2.000 2.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.98315E-03 ppm1 7.313 ppm2 2.366 CV 1 ASSI { 76} (( segid " " and resid 38 and name HE22)) ( segid " " and resid 34 and name HD1%) 3.500 1.500 1.500 peak 76 spectrum 1 weight 0.10000E+01 volume 0.91068E-03 ppm1 7.313 ppm2 0.908 CV 1 ASSI { 78} (( segid " " and resid 38 and name HE21)) (( segid " " and resid 38 and name HE22)) 1.900 0.400 0.400 peak 78 spectrum 1 weight 0.10000E+01 volume 0.12699E-01 ppm1 6.721 ppm2 7.316 CV 1 ASSI { 80} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB3 )) 2.700 0.900 0.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.21648E-02 ppm1 8.303 ppm2 1.278 CV 1 OR { 80} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG3 )) ASSI { 81} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB3 )) 2.600 0.800 0.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.43171E-02 ppm1 8.304 ppm2 3.954 CV 1 OR { 81} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) ASSI { 82} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.000 1.100 1.100 peak 82 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 8.302 ppm2 3.767 CV 1 ASSI { 83} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.200 1.300 1.300 peak 83 spectrum 1 weight 0.10000E+01 volume 0.30976E-02 ppm1 8.301 ppm2 1.545 CV 1 ASSI { 84} (( segid " " and resid 37 and name HN )) (( segid " " and resid 33 and name HA )) 3.600 1.600 1.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.66490E-03 ppm1 8.307 ppm2 4.530 CV 1 ASSI { 85} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HA )) 3.200 1.300 1.300 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10304E-02 ppm1 8.302 ppm2 4.112 CV 1 ASSI { 87} (( segid " " and resid 38 and name HE22)) (( segid " " and resid 38 and name HB2 )) 3.800 1.800 1.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.14842E-02 ppm1 7.314 ppm2 2.163 CV 1 ASSI { 88} (( segid " " and resid 38 and name HE21)) (( segid " " and resid 38 and name HG2 )) 3.400 1.400 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.52310E-03 ppm1 6.726 ppm2 2.504 CV 1 ASSI { 90} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG2 )) 4.000 2.000 2.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.21302E-03 ppm1 8.308 ppm2 0.354 CV 1 ASSI { 91} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HD3 )) 2.800 1.000 1.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.33087E-02 ppm1 8.309 ppm2 2.688 CV 1 ASSI { 92} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 71 and name HG3 )) 3.700 1.700 1.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.16701E-02 ppm1 7.521 ppm2 2.470 CV 1 ASSI { 93} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 71 and name HA )) 3.500 1.500 1.500 peak 93 spectrum 1 weight 0.10000E+01 volume 0.13519E-02 ppm1 7.523 ppm2 4.094 CV 1 ASSI { 94} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 71 and name HB3 )) 4.200 2.200 1.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.46953E-03 ppm1 7.523 ppm2 1.989 CV 1 ASSI { 95} (( segid " " and resid 71 and name HE21)) (( segid " " and resid 71 and name HE22)) 1.800 0.400 0.400 peak 95 spectrum 1 weight 0.10000E+01 volume 0.15504E-01 ppm1 6.893 ppm2 7.522 CV 1 ASSI { 97} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 71 and name HG2 )) 3.800 1.800 1.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13613E-02 ppm1 7.523 ppm2 2.727 CV 1 ASSI { 98} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 71 and name HB2 )) 4.000 2.000 2.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.91384E-03 ppm1 7.521 ppm2 2.260 CV 1 ASSI { 99} (( segid " " and resid 21 and name HE22)) (( segid " " and resid 21 and name HA )) 4.400 2.500 1.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.65229E-03 ppm1 7.466 ppm2 4.322 CV 1 ASSI { 100} (( segid " " and resid 21 and name HE21)) (( segid " " and resid 45 and name HB2 )) 4.100 2.100 1.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.53885E-03 ppm1 6.855 ppm2 2.534 CV 1 ASSI { 101} (( segid " " and resid 21 and name HE22)) (( segid " " and resid 45 and name HB2 )) 3.500 3.500 2.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 7.462 ppm2 2.535 CV 1 ASSI { 102} (( segid " " and resid 21 and name HE21)) (( segid " " and resid 21 and name HE22)) 1.800 0.400 0.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.13865E-01 ppm1 6.855 ppm2 7.462 CV 1 ASSI { 105} (( segid " " and resid 21 and name HE22)) (( segid " " and resid 35 and name HB2 )) 6.000 4.600 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.13424E-03 ppm1 7.465 ppm2 2.196 CV 1 ASSI { 107} (( segid " " and resid 80 and name HN )) (( segid " " and resid 86 and name HG12)) 3.000 3.000 3.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.20010E-02 ppm1 7.782 ppm2 0.681 CV 1 OR { 107} (( segid " " and resid 80 and name HN )) ( segid " " and resid 86 and name HD1%) ASSI { 110} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HG2%) 2.600 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.36554E-02 ppm1 7.784 ppm2 1.183 CV 1 ASSI { 111} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 3.000 1.100 1.100 peak 111 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 7.784 ppm2 4.968 CV 1 ASSI { 112} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 2.500 0.800 0.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.34348E-02 ppm1 7.784 ppm2 7.284 CV 1 ASSI { 113} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB3 )) 3.600 1.600 1.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.10147E-02 ppm1 7.783 ppm2 1.848 CV 1 ASSI { 115} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.400 1.400 1.400 peak 115 spectrum 1 weight 0.10000E+01 volume 0.74680E-03 ppm1 7.783 ppm2 2.137 CV 1 ASSI { 117} (( segid " " and resid 80 and name HN )) (( segid " " and resid 82 and name HN )) 4.500 2.500 1.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.58927E-03 ppm1 7.786 ppm2 7.018 CV 1 ASSI { 118} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HA )) 2.600 2.600 3.400 peak 118 spectrum 1 weight 0.10000E+01 volume 0.52310E-02 ppm1 7.774 ppm2 4.070 CV 1 ASSI { 120} (( segid " " and resid 83 and name HE21)) (( segid " " and resid 83 and name HE22)) 1.800 0.400 0.400 peak 120 spectrum 1 weight 0.10000E+01 volume 0.16323E-01 ppm1 6.902 ppm2 7.595 CV 1 ASSI { 122} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HN )) 4.200 2.200 1.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.72477E-03 ppm1 7.757 ppm2 9.158 CV 1 ASSI { 123} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HN )) 2.400 0.700 0.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.31071E-02 ppm1 7.757 ppm2 8.446 CV 1 ASSI { 124} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.600 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.37184E-02 ppm1 7.756 ppm2 4.252 CV 1 ASSI { 126} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.400 0.700 0.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.60187E-02 ppm1 7.756 ppm2 3.893 CV 1 OR { 126} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB3 )) ASSI { 127} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB3 )) 3.300 1.400 1.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.19443E-02 ppm1 7.755 ppm2 1.698 CV 1 ASSI { 128} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 3.300 1.400 1.400 peak 128 spectrum 1 weight 0.10000E+01 volume 0.14464E-02 ppm1 7.757 ppm2 1.799 CV 1 ASSI { 129} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HE2 )) 4.500 2.500 1.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.24075E-03 ppm1 7.754 ppm2 2.646 CV 1 ASSI { 131} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.800 1.000 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.24989E-02 ppm1 7.657 ppm2 3.483 CV 1 ASSI { 133} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HG3 )) 3.100 1.200 1.200 peak 133 spectrum 1 weight 0.10000E+01 volume 0.85084E-03 ppm1 7.757 ppm2 0.522 CV 1 ASSI { 134} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB2 )) 4.300 2.300 1.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.38759E-03 ppm1 7.657 ppm2 1.507 CV 1 ASSI { 135} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 2.500 0.800 0.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.60818E-02 ppm1 7.658 ppm2 4.209 CV 1 OR { 135} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB )) ASSI { 136} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HG2%) 2.900 1.000 1.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.25524E-02 ppm1 7.658 ppm2 1.235 CV 1 ASSI { 137} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HD2 )) 3.500 1.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.17237E-02 ppm1 7.755 ppm2 1.409 CV 1 ASSI { 138} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HB3 )) 4.900 3.000 1.100 peak 138 spectrum 1 weight 0.10000E+01 volume 0.38129E-03 ppm1 7.752 ppm2 2.300 CV 1 ASSI { 139} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HG3 )) 4.000 2.000 2.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.64284E-03 ppm1 7.660 ppm2 1.036 CV 1 ASSI { 141} (( segid " " and resid 103 and name HN )) (( segid " " and resid 99 and name HA )) 3.800 1.800 1.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.55461E-03 ppm1 7.659 ppm2 3.840 CV 1 ASSI { 142} (( segid " " and resid 23 and name HN )) (( segid " " and resid 26 and name HA2 )) 3.200 3.200 2.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.14149E-02 ppm1 8.044 ppm2 3.986 CV 1 ASSI { 143} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 3.200 1.300 1.300 peak 143 spectrum 1 weight 0.10000E+01 volume 0.96112E-03 ppm1 8.043 ppm2 4.531 CV 1 ASSI { 144} (( segid " " and resid 23 and name HN )) ( segid " " and resid 23 and name HG2%) 4.100 2.100 1.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.22878E-03 ppm1 8.042 ppm2 0.991 CV 1 ASSI { 145} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB3 )) 4.300 2.300 1.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.53255E-03 ppm1 8.044 ppm2 2.757 CV 1 OR { 145} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 147} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB )) 3.500 1.600 1.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10872E-02 ppm1 7.323 ppm2 2.294 CV 1 ASSI { 148} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HG13)) 3.300 1.300 1.300 peak 148 spectrum 1 weight 0.10000E+01 volume 0.24737E-02 ppm1 7.324 ppm2 1.325 CV 1 ASSI { 149} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HG12)) 2.200 0.600 0.600 peak 149 spectrum 1 weight 0.10000E+01 volume 0.50419E-02 ppm1 7.323 ppm2 0.667 CV 1 ASSI { 150} (( segid " " and resid 86 and name HN )) (( segid " " and resid 79 and name HB3 )) 3.800 1.800 1.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.74055E-03 ppm1 7.328 ppm2 1.842 CV 1 ASSI { 151} (( segid " " and resid 86 and name HN )) ( segid " " and resid 86 and name HG2%) 2.600 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.31260E-02 ppm1 7.325 ppm2 0.756 CV 1 ASSI { 152} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA1 )) 2.700 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.40020E-02 ppm1 7.324 ppm2 4.037 CV 1 ASSI { 153} (( segid " " and resid 86 and name HN )) (( segid " " and resid 80 and name HA )) 2.500 0.800 0.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.44747E-02 ppm1 7.324 ppm2 4.947 CV 1 ASSI { 154} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA2 )) 2.400 0.700 0.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.37499E-02 ppm1 7.323 ppm2 4.280 CV 1 ASSI { 155} (( segid " " and resid 86 and name HN )) (( segid " " and resid 90 and name HB3 )) 3.000 3.000 3.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.61763E-02 ppm1 7.332 ppm2 1.591 CV 1 ASSI { 156} (( segid " " and resid 86 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.500 1.500 1.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.95797E-03 ppm1 7.327 ppm2 2.148 CV 1 ASSI { 157} (( segid " " and resid 86 and name HN )) ( segid " " and resid 80 and name HG2%) 3.800 1.800 1.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.90121E-03 ppm1 7.324 ppm2 1.184 CV 1 ASSI { 158} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HN )) 3.800 1.800 1.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.14212E-02 ppm1 7.324 ppm2 7.715 CV 1 ASSI { 161} (( segid " " and resid 64 and name HN )) ( segid " " and resid 65 and name HB% ) 4.500 2.600 1.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.41911E-03 ppm1 8.446 ppm2 1.300 CV 1 ASSI { 163} (( segid " " and resid 17 and name HD21)) (( segid " " and resid 14 and name HA2 )) 4.000 2.000 2.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.40020E-03 ppm1 7.149 ppm2 4.005 CV 1 ASSI { 164} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 70 and name HB3 )) 4.400 2.400 1.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.55145E-03 ppm1 7.883 ppm2 2.878 CV 1 ASSI { 165} (( segid " " and resid 17 and name HD22)) (( segid " " and resid 17 and name HB3 )) 3.800 1.800 1.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.10872E-02 ppm1 7.722 ppm2 2.992 CV 1 ASSI { 166} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 70 and name HB2 )) 3.400 1.500 1.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.63024E-03 ppm1 7.046 ppm2 3.032 CV 1 ASSI { 167} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 70 and name HD22)) 1.900 0.400 0.400 peak 167 spectrum 1 weight 0.10000E+01 volume 0.14275E-01 ppm1 7.046 ppm2 7.882 CV 1 ASSI { 170} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 70 and name HB2 )) 3.900 1.900 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.99894E-03 ppm1 7.883 ppm2 3.031 CV 1 ASSI { 172} (( segid " " and resid 17 and name HD21)) (( segid " " and resid 17 and name HD22)) 1.900 0.400 0.400 peak 172 spectrum 1 weight 0.10000E+01 volume 0.13897E-01 ppm1 7.148 ppm2 7.725 CV 1 ASSI { 174} (( segid " " and resid 17 and name HD22)) (( segid " " and resid 17 and name HB2 )) 4.100 2.100 1.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.74055E-03 ppm1 7.724 ppm2 2.882 CV 1 ASSI { 175} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 70 and name HB3 )) 3.800 1.800 1.800 peak 175 spectrum 1 weight 0.10000E+01 volume 0.46953E-03 ppm1 7.050 ppm2 2.862 CV 1 ASSI { 176} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HN )) 4.800 2.900 1.200 peak 176 spectrum 1 weight 0.10000E+01 volume 0.20010E-03 ppm1 8.442 ppm2 7.620 CV 1 ASSI { 177} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 2.500 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.45062E-02 ppm1 8.448 ppm2 3.958 CV 1 OR { 177} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB3 )) ASSI { 178} (( segid " " and resid 64 and name HN )) ( segid " " and resid 63 and name HB% ) 2.700 0.900 0.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.27005E-02 ppm1 8.447 ppm2 1.448 CV 1 ASSI { 179} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 2.800 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.26817E-02 ppm1 8.448 ppm2 4.232 CV 1 ASSI { 180} (( segid " " and resid 17 and name HD21)) (( segid " " and resid 17 and name HB3 )) 3.300 1.400 1.400 peak 180 spectrum 1 weight 0.10000E+01 volume 0.88550E-03 ppm1 7.145 ppm2 2.999 CV 1 ASSI { 181} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 2.900 1.000 1.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.18686E-02 ppm1 8.449 ppm2 8.189 CV 1 ASSI { 182} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 2.700 0.900 0.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.22436E-02 ppm1 8.448 ppm2 6.916 CV 1 ASSI { 184} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 76 and name HG )) 3.800 1.800 1.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 6.168 ppm2 2.105 CV 1 OR { 184} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 76 and name HB3 )) ASSI { 185} (( segid " " and resid 79 and name HE21)) ( segid " " and resid 80 and name HG2%) 3.000 3.000 3.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.24138E-02 ppm1 6.165 ppm2 1.219 CV 1 ASSI { 190} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 79 and name HN )) 3.700 1.700 1.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.10052E-02 ppm1 6.164 ppm2 7.880 CV 1 ASSI { 193} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 79 and name HE21)) 1.800 0.400 0.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.89497E-02 ppm1 6.881 ppm2 6.168 CV 1 ASSI { 195} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG13)) 3.500 1.600 1.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.16260E-02 ppm1 8.675 ppm2 1.999 CV 1 ASSI { 196} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HN )) 4.700 2.800 1.300 peak 196 spectrum 1 weight 0.10000E+01 volume 0.18340E-03 ppm1 8.679 ppm2 7.599 CV 1 ASSI { 197} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 79 and name HA )) 4.100 2.100 1.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.86971E-03 ppm1 6.170 ppm2 3.815 CV 1 ASSI { 198} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.600 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.37184E-02 ppm1 8.676 ppm2 4.222 CV 1 ASSI { 199} (( segid " " and resid 95 and name HN )) ( segid " " and resid 76 and name HD2%) 2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.31480E-02 ppm1 8.677 ppm2 1.002 CV 1 ASSI { 200} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HN )) 2.700 0.900 0.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.21491E-02 ppm1 8.676 ppm2 7.828 CV 1 ASSI { 201} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB )) 2.600 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.23539E-02 ppm1 8.677 ppm2 1.871 CV 1 ASSI { 202} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA )) 3.400 1.400 1.400 peak 202 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 8.678 ppm2 3.693 CV 1 ASSI { 203} (( segid " " and resid 95 and name HN )) ( segid " " and resid 16 and name HD2%) 4.300 2.300 1.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.37814E-03 ppm1 8.676 ppm2 0.650 CV 1 ASSI { 204} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HG2 )) 3.900 1.900 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.55776E-03 ppm1 8.675 ppm2 1.645 CV 1 ASSI { 206} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB3 )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.66490E-02 ppm1 8.677 ppm2 4.036 CV 1 OR { 206} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB2 )) ASSI { 208} (( segid " " and resid 95 and name HN )) ( segid " " and resid 76 and name HD1%) 2.900 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.22689E-02 ppm1 8.674 ppm2 0.818 CV 1 ASSI { 210} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 82 and name HE3 )) 4.300 2.300 1.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.72161E-03 ppm1 6.887 ppm2 2.900 CV 1 OR { 210} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 82 and name HE2 )) ASSI { 211} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 90 and name HB3 )) 5.300 3.500 0.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.26218E-03 ppm1 6.167 ppm2 1.585 CV 1 ASSI { 213} (( segid " " and resid 95 and name HN )) ( segid " " and resid 91 and name HB% ) 4.300 2.400 1.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.33087E-03 ppm1 8.681 ppm2 1.462 CV 1 ASSI { 214} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 90 and name HB3 )) 3.900 1.900 1.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 6.884 ppm2 1.593 CV 1 ASSI { 215} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 3.500 1.500 1.500 peak 215 spectrum 1 weight 0.10000E+01 volume 0.62393E-03 ppm1 8.228 ppm2 4.616 CV 1 ASSI { 216} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HA )) 2.900 1.100 1.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.20104E-02 ppm1 8.226 ppm2 4.297 CV 1 ASSI { 218} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HN )) 2.800 1.000 1.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.21365E-02 ppm1 8.229 ppm2 7.521 CV 1 ASSI { 219} (( segid " " and resid 13 and name HN )) ( segid " " and resid 12 and name HD2%) 4.400 2.400 1.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.56406E-03 ppm1 8.226 ppm2 1.133 CV 1 ASSI { 220} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB2 )) 2.600 0.900 0.900 peak 220 spectrum 1 weight 0.10000E+01 volume 0.35293E-02 ppm1 8.228 ppm2 3.980 CV 1 OR { 220} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB3 )) ASSI { 221} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB3 )) 2.700 0.900 0.900 peak 221 spectrum 1 weight 0.10000E+01 volume 0.36554E-02 ppm1 8.228 ppm2 1.991 CV 1 OR { 221} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 222} (( segid " " and resid 13 and name HN )) ( segid " " and resid 93 and name HG2%) 3.700 1.700 1.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.81618E-03 ppm1 8.230 ppm2 1.261 CV 1 ASSI { 223} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 2.400 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.51049E-02 ppm1 8.229 ppm2 8.112 CV 1 ASSI { 224} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.500 0.800 0.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.43171E-02 ppm1 8.228 ppm2 4.102 CV 1 ASSI { 225} (( segid " " and resid 13 and name HN )) (( segid " " and resid 93 and name HB )) 4.300 2.300 1.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.52625E-03 ppm1 8.228 ppm2 2.335 CV 1 ASSI { 226} (( segid " " and resid 13 and name HN )) ( segid " " and resid 93 and name HG1%) 3.000 1.200 1.200 peak 226 spectrum 1 weight 0.10000E+01 volume 0.15378E-02 ppm1 8.228 ppm2 1.012 CV 1 ASSI { 227} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA )) 3.800 1.800 1.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.40966E-03 ppm1 8.231 ppm2 4.487 CV 1 ASSI { 228} (( segid " " and resid 13 and name HN )) ( segid " " and resid 16 and name HD2%) 4.300 2.300 1.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.34033E-03 ppm1 8.227 ppm2 0.628 CV 1 ASSI { 229} (( segid " " and resid 13 and name HN )) (( segid " " and resid 15 and name HN )) 3.900 1.900 1.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.44432E-03 ppm1 8.227 ppm2 8.726 CV 1 ASSI { 230} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.200 1.300 1.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 7.819 ppm2 3.557 CV 1 ASSI { 231} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.600 0.900 0.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.26218E-02 ppm1 7.820 ppm2 2.881 CV 1 ASSI { 232} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA2 )) 3.300 1.400 1.400 peak 232 spectrum 1 weight 0.10000E+01 volume 0.21933E-02 ppm1 7.820 ppm2 3.995 CV 1 ASSI { 233} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.000 1.100 1.100 peak 233 spectrum 1 weight 0.10000E+01 volume 0.12132E-02 ppm1 7.821 ppm2 -0.005 CV 1 ASSI { 234} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB3 )) 2.800 1.000 1.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.41911E-02 ppm1 7.820 ppm2 2.998 CV 1 ASSI { 235} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB3 )) 3.300 1.400 1.400 peak 235 spectrum 1 weight 0.10000E+01 volume 0.22342E-02 ppm1 7.820 ppm2 1.242 CV 1 ASSI { 236} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.900 1.100 1.100 peak 236 spectrum 1 weight 0.10000E+01 volume 0.20892E-02 ppm1 7.821 ppm2 4.478 CV 1 ASSI { 237} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HB% ) 3.700 1.700 1.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.16827E-02 ppm1 7.818 ppm2 1.588 CV 1 ASSI { 238} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.22058E-02 ppm1 7.820 ppm2 8.609 CV 1 ASSI { 239} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB3 )) 3.300 1.400 1.400 peak 239 spectrum 1 weight 0.10000E+01 volume 0.24705E-02 ppm1 7.178 ppm2 1.566 CV 1 ASSI { 240} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.13991E-02 ppm1 7.175 ppm2 2.035 CV 1 ASSI { 241} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HN )) 4.300 2.300 1.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.60187E-03 ppm1 7.178 ppm2 8.522 CV 1 ASSI { 242} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 4.400 2.500 1.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.63654E-03 ppm1 7.175 ppm2 3.171 CV 1 ASSI { 243} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) 2.500 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.29967E-02 ppm1 7.177 ppm2 2.631 CV 1 ASSI { 244} (( segid " " and resid 67 and name HN )) ( segid " " and resid 62 and name HG2%) 3.400 1.400 1.400 peak 244 spectrum 1 weight 0.10000E+01 volume 0.16544E-02 ppm1 7.176 ppm2 -0.517 CV 1 ASSI { 245} (( segid " " and resid 67 and name HN )) ( segid " " and resid 65 and name HB% ) 3.200 1.200 1.200 peak 245 spectrum 1 weight 0.10000E+01 volume 0.20010E-02 ppm1 7.175 ppm2 1.292 CV 1 ASSI { 247} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG3 )) 3.500 1.500 1.500 peak 247 spectrum 1 weight 0.10000E+01 volume 0.21207E-02 ppm1 7.178 ppm2 2.274 CV 1 ASSI { 249} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 2.700 0.900 0.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.24768E-02 ppm1 7.175 ppm2 4.547 CV 1 ASSI { 250} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 3.000 1.200 1.200 peak 250 spectrum 1 weight 0.10000E+01 volume 0.15378E-02 ppm1 7.176 ppm2 4.094 CV 1 ASSI { 251} (( segid " " and resid 17 and name HN )) ( segid " " and resid 16 and name HD2%) 3.200 1.300 1.300 peak 251 spectrum 1 weight 0.10000E+01 volume 0.33087E-02 ppm1 7.817 ppm2 0.618 CV 1 ASSI { 252} (( segid " " and resid 67 and name HN )) (( segid " " and resid 62 and name HN )) 2.600 2.600 3.400 peak 252 spectrum 1 weight 0.10000E+01 volume 0.19758E-02 ppm1 7.176 ppm2 7.635 CV 1 ASSI { 253} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HD21)) 3.100 1.200 1.200 peak 253 spectrum 1 weight 0.10000E+01 volume 0.14590E-02 ppm1 7.823 ppm2 7.166 CV 1 ASSI { 254} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA1 )) 3.900 1.900 1.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.31417E-03 ppm1 7.826 ppm2 3.860 CV 1 ASSI { 256} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.30220E-02 ppm1 9.759 ppm2 4.187 CV 1 ASSI { 257} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HB2 )) 2.900 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.13235E-02 ppm1 9.760 ppm2 2.548 CV 1 ASSI { 260} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG3 )) 3.300 1.300 1.300 peak 260 spectrum 1 weight 0.10000E+01 volume 0.17867E-02 ppm1 9.760 ppm2 2.415 CV 1 OR { 260} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG2 )) ASSI { 261} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 2.500 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.21743E-02 ppm1 9.758 ppm2 7.564 CV 1 ASSI { 262} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HD2 )) 3.000 1.100 1.100 peak 262 spectrum 1 weight 0.10000E+01 volume 0.10651E-02 ppm1 9.759 ppm2 3.917 CV 1 ASSI { 265} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB2 )) 3.800 1.800 1.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.11312E-02 ppm1 9.172 ppm2 2.038 CV 1 OR { 265} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB3 )) ASSI { 266} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 2.800 1.000 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.18686E-02 ppm1 9.177 ppm2 4.200 CV 1 ASSI { 267} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA1 )) 3.000 1.200 1.200 peak 267 spectrum 1 weight 0.10000E+01 volume 0.12006E-02 ppm1 9.178 ppm2 4.027 CV 1 ASSI { 269} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA2 )) 3.600 1.600 1.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.11470E-02 ppm1 9.174 ppm2 3.871 CV 1 ASSI { 272} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HN )) 3.700 1.700 1.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.91700E-03 ppm1 7.883 ppm2 8.542 CV 1 ASSI { 274} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HA )) 3.100 1.200 1.200 peak 274 spectrum 1 weight 0.10000E+01 volume 0.12132E-02 ppm1 7.882 ppm2 3.692 CV 1 ASSI { 275} (( segid " " and resid 79 and name HN )) (( segid " " and resid 81 and name HN )) 3.900 1.900 1.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.73424E-03 ppm1 7.885 ppm2 7.280 CV 1 ASSI { 276} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.600 0.900 0.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.25178E-02 ppm1 7.882 ppm2 3.813 CV 1 ASSI { 278} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG3 )) 2.900 1.000 1.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.16355E-02 ppm1 7.881 ppm2 1.353 CV 1 ASSI { 279} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HB% ) 2.800 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.31827E-02 ppm1 7.882 ppm2 1.494 CV 1 ASSI { 280} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB3 )) 2.500 0.800 0.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.62709E-02 ppm1 7.882 ppm2 1.868 CV 1 ASSI { 283} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 3.300 1.400 1.400 peak 283 spectrum 1 weight 0.10000E+01 volume 0.12195E-02 ppm1 7.882 ppm2 4.069 CV 1 ASSI { 284} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.400 1.400 1.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.85084E-03 ppm1 7.882 ppm2 2.138 CV 1 ASSI { 285} (( segid " " and resid 79 and name HN )) ( segid " " and resid 86 and name HD1%) 4.200 2.200 1.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.48528E-03 ppm1 7.881 ppm2 0.674 CV 1 OR { 285} (( segid " " and resid 79 and name HN )) (( segid " " and resid 86 and name HG12)) ASSI { 286} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB2 )) 2.400 0.700 0.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.55776E-02 ppm1 8.438 ppm2 3.241 CV 1 ASSI { 287} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB3 )) 2.900 1.100 1.100 peak 287 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 8.438 ppm2 2.816 CV 1 ASSI { 288} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 2.800 1.000 1.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.23319E-02 ppm1 8.439 ppm2 4.553 CV 1 ASSI { 291} (( segid " " and resid 31 and name HN )) (( segid " " and resid 35 and name HB3 )) 3.500 3.500 2.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.92647E-03 ppm1 7.508 ppm2 1.499 CV 1 ASSI { 292} (( segid " " and resid 69 and name HN )) (( segid " " and resid 71 and name HE22)) 3.400 3.400 2.600 peak 292 spectrum 1 weight 0.10000E+01 volume 0.28171E-02 ppm1 8.442 ppm2 7.490 CV 1 ASSI { 294} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB )) 3.700 1.700 1.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.42541E-03 ppm1 7.499 ppm2 4.470 CV 1 ASSI { 295} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.20199E-02 ppm1 7.507 ppm2 4.191 CV 1 ASSI { 296} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 3.300 1.300 1.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.86655E-03 ppm1 7.507 ppm2 4.368 CV 1 ASSI { 297} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB )) 4.400 2.400 1.600 peak 297 spectrum 1 weight 0.10000E+01 volume 0.64914E-03 ppm1 7.503 ppm2 1.891 CV 1 ASSI { 300} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) 3.700 1.700 1.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.98947E-03 ppm1 7.501 ppm2 8.822 CV 1 ASSI { 302} (( segid " " and resid 21 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.800 2.800 3.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.37499E-02 ppm1 7.826 ppm2 2.204 CV 1 ASSI { 304} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HB3 )) 6.000 6.000 0.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.42226E-05 ppm1 8.447 ppm2 2.036 CV 1 OR { 304} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HB2 )) ASSI { 305} (( segid " " and resid 21 and name HN )) ( segid " " and resid 20 and name HB% ) 6.000 6.000 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.12920E-05 ppm1 7.830 ppm2 1.680 CV 1 ASSI { 306} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG3 )) 4.000 2.000 2.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.35924E-03 ppm1 7.831 ppm2 2.590 CV 1 OR { 306} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG2 )) ASSI { 308} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.800 1.800 1.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.49158E-03 ppm1 7.834 ppm2 2.332 CV 1 OR { 308} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB3 )) ASSI { 309} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA )) 3.700 1.700 1.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.48213E-03 ppm1 7.832 ppm2 4.091 CV 1 ASSI { 310} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HG3 )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.14117E-02 ppm1 8.441 ppm2 0.520 CV 1 ASSI { 311} (( segid " " and resid 39 and name HN )) ( segid " " and resid 40 and name HE% ) 4.000 2.000 2.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.54515E-03 ppm1 7.946 ppm2 6.764 CV 1 ASSI { 313} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB2 )) 3.400 1.400 1.400 peak 313 spectrum 1 weight 0.10000E+01 volume 0.16575E-02 ppm1 8.446 ppm2 1.779 CV 1 ASSI { 314} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HE2 )) 3.400 1.500 1.500 peak 314 spectrum 1 weight 0.10000E+01 volume 0.24075E-02 ppm1 8.446 ppm2 2.638 CV 1 ASSI { 315} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HG2 )) 3.200 1.300 1.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.20136E-02 ppm1 8.447 ppm2 1.436 CV 1 ASSI { 317} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HN )) 2.400 0.700 0.700 peak 317 spectrum 1 weight 0.10000E+01 volume 0.26060E-02 ppm1 8.444 ppm2 9.154 CV 1 ASSI { 318} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HA )) 4.800 2.900 1.200 peak 318 spectrum 1 weight 0.10000E+01 volume 0.28801E-03 ppm1 7.945 ppm2 4.762 CV 1 ASSI { 319} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HD1%) 3.000 1.100 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.23098E-02 ppm1 7.955 ppm2 0.967 CV 1 OR { 319} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HD2%) ASSI { 320} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 3.500 1.500 1.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.81302E-03 ppm1 7.953 ppm2 4.197 CV 1 ASSI { 321} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) 3.700 1.700 1.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.57352E-03 ppm1 7.957 ppm2 2.756 CV 1 ASSI { 322} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 3.000 1.100 1.100 peak 322 spectrum 1 weight 0.10000E+01 volume 0.15410E-02 ppm1 7.954 ppm2 4.464 CV 1 ASSI { 324} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB3 )) 2.900 1.100 1.100 peak 324 spectrum 1 weight 0.10000E+01 volume 0.12668E-02 ppm1 8.446 ppm2 1.705 CV 1 ASSI { 329} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 3.700 1.700 1.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.52940E-03 ppm1 7.844 ppm2 4.320 CV 1 ASSI { 330} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HA )) 3.800 1.800 1.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 8.442 ppm2 4.239 CV 1 ASSI { 331} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB3 )) 3.500 1.500 1.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.18529E-02 ppm1 7.956 ppm2 1.344 CV 1 ASSI { 333} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HA )) 3.100 1.200 1.200 peak 333 spectrum 1 weight 0.10000E+01 volume 0.14842E-02 ppm1 8.447 ppm2 4.011 CV 1 ASSI { 334} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 2.500 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.43486E-02 ppm1 7.954 ppm2 7.720 CV 1 ASSI { 335} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HD3 )) 3.500 1.500 1.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.66805E-03 ppm1 7.952 ppm2 3.046 CV 1 ASSI { 336} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 2.200 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.83190E-02 ppm1 7.952 ppm2 8.196 CV 1 ASSI { 337} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG2 )) 4.000 2.000 2.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.57667E-03 ppm1 7.963 ppm2 2.494 CV 1 ASSI { 339} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG3 )) 3.500 1.500 1.500 peak 339 spectrum 1 weight 0.10000E+01 volume 0.18498E-02 ppm1 7.718 ppm2 2.367 CV 1 ASSI { 340} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG2 )) 3.200 1.300 1.300 peak 340 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 7.718 ppm2 2.506 CV 1 ASSI { 341} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.400 1.400 1.400 peak 341 spectrum 1 weight 0.10000E+01 volume 0.88865E-03 ppm1 7.719 ppm2 3.778 CV 1 ASSI { 342} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.300 0.700 0.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.61763E-02 ppm1 7.719 ppm2 2.113 CV 1 OR { 342} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB3 )) ASSI { 345} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.800 1.000 1.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.27793E-02 ppm1 7.719 ppm2 4.201 CV 1 ASSI { 346} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 2.600 0.900 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.29589E-02 ppm1 7.719 ppm2 8.295 CV 1 ASSI { 347} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB3 )) 2.800 1.000 1.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.25839E-02 ppm1 9.317 ppm2 4.010 CV 1 OR { 347} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) ASSI { 348} (( segid " " and resid 38 and name HN )) (( segid " " and resid 18 and name HA )) 5.000 3.200 1.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.22248E-03 ppm1 7.713 ppm2 4.320 CV 1 ASSI { 350} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA )) 3.000 1.200 1.200 peak 350 spectrum 1 weight 0.10000E+01 volume 0.15472E-02 ppm1 9.317 ppm2 4.161 CV 1 ASSI { 351} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB3 )) 4.600 2.600 1.400 peak 351 spectrum 1 weight 0.10000E+01 volume 0.28329E-03 ppm1 7.731 ppm2 1.294 CV 1 OR { 351} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HG3 )) ASSI { 352} (( segid " " and resid 88 and name HN )) ( segid " " and resid 80 and name HG2%) 3.900 1.900 1.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.52310E-03 ppm1 9.321 ppm2 1.182 CV 1 ASSI { 354} (( segid " " and resid 88 and name HN )) ( segid " " and resid 87 and name HG2%) 3.800 1.800 1.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10809E-02 ppm1 9.317 ppm2 1.301 CV 1 ASSI { 355} (( segid " " and resid 88 and name HN )) (( segid " " and resid 89 and name HB3 )) 3.900 1.900 1.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.11975E-02 ppm1 9.319 ppm2 2.704 CV 1 OR { 355} (( segid " " and resid 88 and name HN )) (( segid " " and resid 89 and name HB2 )) ASSI { 356} (( segid " " and resid 88 and name HN )) ( segid " " and resid 91 and name HB% ) 3.900 1.900 1.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.74680E-03 ppm1 9.323 ppm2 1.473 CV 1 ASSI { 357} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 3.100 1.200 1.200 peak 357 spectrum 1 weight 0.10000E+01 volume 0.13708E-02 ppm1 8.361 ppm2 8.800 CV 1 ASSI { 360} (( segid " " and resid 33 and name HN )) (( segid " " and resid 35 and name HG )) 6.000 6.000 0.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.10178E-04 ppm1 8.356 ppm2 1.917 CV 1 ASSI { 364} (( segid " " and resid 77 and name HN )) (( segid " " and resid 79 and name HB3 )) 3.700 3.700 2.300 peak 364 spectrum 1 weight 0.10000E+01 volume 0.13203E-02 ppm1 8.551 ppm2 1.811 CV 1 ASSI { 365} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG2 )) 3.700 1.700 1.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.71214E-03 ppm1 8.092 ppm2 1.625 CV 1 ASSI { 366} (( segid " " and resid 77 and name HN )) (( segid " " and resid 73 and name HG3 )) 3.000 3.000 3.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.85399E-03 ppm1 8.551 ppm2 2.296 CV 1 OR { 366} (( segid " " and resid 77 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 367} (( segid " " and resid 77 and name HN )) (( segid " " and resid 81 and name HD2 )) 4.800 2.900 1.200 peak 367 spectrum 1 weight 0.10000E+01 volume 0.20073E-03 ppm1 8.535 ppm2 1.682 CV 1 OR { 367} (( segid " " and resid 77 and name HN )) (( segid " " and resid 81 and name HD3 )) ASSI { 370} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB3 )) 2.800 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.33087E-02 ppm1 8.372 ppm2 1.829 CV 1 ASSI { 371} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) 3.800 1.800 1.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.64284E-03 ppm1 8.091 ppm2 4.425 CV 1 ASSI { 373} (( segid " " and resid 33 and name HN )) ( segid " " and resid 31 and name HG2%) 2.100 0.500 0.500 peak 373 spectrum 1 weight 0.10000E+01 volume 0.10997E-01 ppm1 8.358 ppm2 1.272 CV 1 ASSI { 374} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HN )) 2.700 0.900 0.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.21523E-02 ppm1 8.094 ppm2 8.550 CV 1 ASSI { 375} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HD2 )) 2.500 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.22594E-02 ppm1 8.093 ppm2 3.712 CV 1 ASSI { 377} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB2 )) 2.400 0.700 0.700 peak 377 spectrum 1 weight 0.10000E+01 volume 0.44747E-02 ppm1 8.093 ppm2 2.082 CV 1 ASSI { 379} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HD3 )) 3.700 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.18844E-02 ppm1 8.093 ppm2 3.479 CV 1 ASSI { 380} (( segid " " and resid 49 and name HN )) ( segid " " and resid 43 and name HG2%) 4.100 2.100 1.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.27226E-03 ppm1 8.091 ppm2 1.092 CV 1 OR { 380} (( segid " " and resid 49 and name HN )) ( segid " " and resid 43 and name HG1%) ASSI { 382} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB3 )) 2.800 1.000 1.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.67120E-02 ppm1 8.484 ppm2 1.290 CV 1 ASSI { 383} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HG2%) 3.600 1.700 1.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.16449E-02 ppm1 8.555 ppm2 1.224 CV 1 ASSI { 384} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HD3 )) 3.700 1.700 1.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.12857E-02 ppm1 9.012 ppm2 3.029 CV 1 ASSI { 386} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB3 )) 2.600 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.33718E-02 ppm1 8.547 ppm2 2.125 CV 1 ASSI { 388} (( segid " " and resid 77 and name HN )) ( segid " " and resid 76 and name HD1%) 3.900 1.900 1.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.57667E-03 ppm1 8.546 ppm2 0.810 CV 1 ASSI { 389} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.24737E-02 ppm1 9.016 ppm2 4.331 CV 1 ASSI { 391} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG3 )) 3.400 1.500 1.500 peak 391 spectrum 1 weight 0.10000E+01 volume 0.25493E-02 ppm1 9.015 ppm2 2.205 CV 1 OR { 391} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 392} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG2 )) 2.400 0.700 0.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.31827E-02 ppm1 9.016 ppm2 2.328 CV 1 ASSI { 393} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HD2 )) 3.000 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.99262E-03 ppm1 9.015 ppm2 3.408 CV 1 ASSI { 394} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 3.400 1.500 1.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.57982E-03 ppm1 9.016 ppm2 3.983 CV 1 ASSI { 395} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.600 0.800 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.30503E-02 ppm1 9.015 ppm2 8.109 CV 1 ASSI { 396} (( segid " " and resid 77 and name HN )) ( segid " " and resid 76 and name HD2%) 3.700 1.700 1.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.14810E-02 ppm1 8.548 ppm2 0.999 CV 1 ASSI { 397} (( segid " " and resid 77 and name HN )) ( segid " " and resid 78 and name HB% ) 4.100 2.100 1.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.89805E-03 ppm1 8.545 ppm2 1.489 CV 1 ASSI { 398} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.25493E-02 ppm1 8.546 ppm2 3.857 CV 1 ASSI { 399} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 2.600 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.29999E-02 ppm1 8.546 ppm2 7.755 CV 1 ASSI { 400} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB )) 2.400 0.700 0.700 peak 400 spectrum 1 weight 0.10000E+01 volume 0.61448E-02 ppm1 8.546 ppm2 4.275 CV 1 ASSI { 401} (( segid " " and resid 42 and name HN )) ( segid " " and resid 43 and name HG2%) 4.500 2.500 1.500 peak 401 spectrum 1 weight 0.10000E+01 volume 0.75311E-03 ppm1 9.014 ppm2 1.063 CV 1 ASSI { 402} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HA )) 3.400 1.500 1.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.76890E-03 ppm1 9.018 ppm2 4.770 CV 1 ASSI { 403} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HN )) 2.700 0.900 0.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.26344E-02 ppm1 8.545 ppm2 9.083 CV 1 ASSI { 405} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HD2%) 4.000 2.000 2.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.85399E-03 ppm1 8.473 ppm2 0.581 CV 1 ASSI { 406} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.700 0.900 0.900 peak 406 spectrum 1 weight 0.10000E+01 volume 0.26470E-02 ppm1 8.484 ppm2 4.101 CV 1 ASSI { 407} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 2.900 1.000 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 8.477 ppm2 7.828 CV 1 ASSI { 408} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HN )) 6.000 5.900 0.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.26092E-04 ppm1 8.083 ppm2 7.567 CV 1 ASSI { 409} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HD1%) 4.200 2.200 1.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.69327E-03 ppm1 8.477 ppm2 0.764 CV 1 ASSI { 410} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 2.700 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.32772E-02 ppm1 8.551 ppm2 3.712 CV 1 ASSI { 411} (( segid " " and resid 19 and name HN )) (( segid " " and resid 35 and name HB3 )) 5.400 3.600 0.600 peak 411 spectrum 1 weight 0.10000E+01 volume 0.13676E-03 ppm1 8.459 ppm2 1.467 CV 1 ASSI { 412} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 3.900 1.900 1.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.41596E-03 ppm1 8.477 ppm2 3.564 CV 1 ASSI { 413} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG )) 2.000 0.500 0.500 peak 413 spectrum 1 weight 0.10000E+01 volume 0.11533E-01 ppm1 8.466 ppm2 1.913 CV 1 ASSI { 414} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HB% ) 2.100 0.600 0.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.11155E-01 ppm1 8.473 ppm2 1.588 CV 1 ASSI { 415} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HB2 )) 2.400 0.700 0.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.32457E-02 ppm1 7.557 ppm2 2.551 CV 1 ASSI { 418} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HG3 )) 3.900 1.900 1.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.56091E-03 ppm1 7.563 ppm2 2.418 CV 1 OR { 418} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HG2 )) ASSI { 419} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB3 )) 2.900 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.35609E-02 ppm1 8.070 ppm2 1.928 CV 1 OR { 419} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) ASSI { 420} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.25461E-02 ppm1 8.073 ppm2 7.623 CV 1 ASSI { 421} (( segid " " and resid 47 and name HN )) (( segid " " and resid 50 and name HD2 )) 3.600 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.10178E-02 ppm1 7.562 ppm2 3.733 CV 1 ASSI { 422} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HB2 )) 3.400 1.500 1.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.17016E-02 ppm1 7.562 ppm2 2.983 CV 1 OR { 422} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HB3 )) ASSI { 424} (( segid " " and resid 47 and name HN )) ( segid " " and resid 43 and name HG2%) 3.300 1.400 1.400 peak 424 spectrum 1 weight 0.10000E+01 volume 0.13424E-02 ppm1 7.564 ppm2 1.096 CV 1 OR { 424} (( segid " " and resid 47 and name HN )) ( segid " " and resid 43 and name HG1%) ASSI { 425} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.19916E-02 ppm1 8.072 ppm2 3.361 CV 1 OR { 425} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB3 )) ASSI { 426} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HA )) 4.000 2.000 2.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.84768E-03 ppm1 7.566 ppm2 4.764 CV 1 ASSI { 427} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HN )) 2.300 0.600 0.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.53570E-02 ppm1 7.561 ppm2 8.551 CV 1 ASSI { 428} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG3 )) 2.400 0.700 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.36869E-02 ppm1 7.563 ppm2 2.278 CV 1 ASSI { 429} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.900 1.000 1.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.15693E-02 ppm1 7.563 ppm2 4.425 CV 1 ASSI { 434} (( segid " " and resid 12 and name HN )) ( segid " " and resid 93 and name HG1%) 3.900 1.900 1.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.10777E-02 ppm1 7.524 ppm2 1.002 CV 1 ASSI { 435} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HB2 )) 5.200 3.400 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.14401E-03 ppm1 7.524 ppm2 4.002 CV 1 OR { 435} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HB3 )) ASSI { 438} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HD2 )) 2.400 0.700 0.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.57036E-02 ppm1 8.070 ppm2 1.706 CV 1 OR { 438} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HD3 )) ASSI { 439} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HB )) 4.700 2.700 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.35609E-03 ppm1 8.075 ppm2 1.228 CV 1 ASSI { 440} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB3 )) 3.500 1.500 1.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.20041E-02 ppm1 7.520 ppm2 1.601 CV 1 ASSI { 442} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HD2 )) 2.900 1.100 1.100 peak 442 spectrum 1 weight 0.10000E+01 volume 0.16922E-02 ppm1 7.520 ppm2 3.794 CV 1 OR { 442} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HD3 )) ASSI { 443} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 2.400 2.400 3.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.94218E-02 ppm1 7.555 ppm2 4.201 CV 1 ASSI { 444} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 3.100 1.200 1.200 peak 444 spectrum 1 weight 0.10000E+01 volume 0.11187E-02 ppm1 7.521 ppm2 4.625 CV 1 ASSI { 445} (( segid " " and resid 12 and name HN )) ( segid " " and resid 12 and name HD1%) 3.900 1.900 1.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 7.522 ppm2 1.259 CV 1 ASSI { 446} (( segid " " and resid 60 and name HN )) ( segid " " and resid 58 and name HG2%) 4.000 2.000 2.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.48213E-03 ppm1 8.304 ppm2 0.956 CV 1 ASSI { 447} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB3 )) 2.500 0.800 0.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.29589E-02 ppm1 8.305 ppm2 1.534 CV 1 ASSI { 449} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.300 1.400 1.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.27447E-02 ppm1 8.302 ppm2 1.719 CV 1 OR { 449} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HG )) ASSI { 450} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.800 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.28361E-02 ppm1 8.304 ppm2 3.986 CV 1 ASSI { 451} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB3 )) 2.200 0.600 0.600 peak 451 spectrum 1 weight 0.10000E+01 volume 0.78777E-02 ppm1 8.302 ppm2 1.926 CV 1 OR { 451} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB2 )) ASSI { 454} (( segid " " and resid 60 and name HN )) ( segid " " and resid 59 and name HD2%) 3.700 1.700 1.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.63339E-03 ppm1 8.301 ppm2 0.847 CV 1 OR { 454} (( segid " " and resid 60 and name HN )) ( segid " " and resid 59 and name HD1%) ASSI { 455} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG2 )) 3.900 1.900 1.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.70583E-03 ppm1 8.306 ppm2 1.406 CV 1 OR { 455} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG3 )) ASSI { 457} (( segid " " and resid 12 and name HN )) ( segid " " and resid 12 and name HD2%) 4.500 2.500 1.500 peak 457 spectrum 1 weight 0.10000E+01 volume 0.57982E-03 ppm1 7.518 ppm2 1.127 CV 1 ASSI { 458} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HG13)) 5.500 3.800 0.500 peak 458 spectrum 1 weight 0.10000E+01 volume 0.85399E-04 ppm1 8.074 ppm2 0.751 CV 1 ASSI { 461} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG )) 2.900 1.000 1.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.20167E-02 ppm1 7.840 ppm2 1.881 CV 1 ASSI { 462} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB3 )) 5.800 4.200 0.200 peak 462 spectrum 1 weight 0.10000E+01 volume 0.22373E-04 ppm1 7.838 ppm2 1.675 CV 1 ASSI { 463} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB3 )) 2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.13928E-02 ppm1 7.838 ppm2 1.464 CV 1 ASSI { 464} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 3.200 1.300 1.300 peak 464 spectrum 1 weight 0.10000E+01 volume 0.99262E-03 ppm1 7.839 ppm2 3.994 CV 1 ASSI { 465} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.500 0.800 0.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.16922E-01 ppm1 7.839 ppm2 2.165 CV 1 ASSI { 466} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) 6.000 5.500 0.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.10714E-04 ppm1 7.514 ppm2 1.972 CV 1 OR { 466} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB3 )) ASSI { 467} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 3.500 1.500 1.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.86024E-03 ppm1 7.885 ppm2 4.000 CV 1 ASSI { 468} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HN )) 3.300 1.300 1.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.23161E-02 ppm1 7.880 ppm2 8.305 CV 1 ASSI { 469} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HA )) 3.000 1.100 1.100 peak 469 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 7.889 ppm2 3.302 CV 1 ASSI { 470} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.800 1.000 1.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.20797E-02 ppm1 7.888 ppm2 4.208 CV 1 ASSI { 473} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.200 0.600 0.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.69327E-02 ppm1 7.888 ppm2 1.735 CV 1 ASSI { 474} (( segid " " and resid 55 and name HN )) ( segid " " and resid 52 and name HD2%) 3.200 1.300 1.300 peak 474 spectrum 1 weight 0.10000E+01 volume 0.23823E-02 ppm1 7.887 ppm2 0.889 CV 1 ASSI { 475} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HN )) 2.600 0.900 0.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.21333E-02 ppm1 7.888 ppm2 8.800 CV 1 ASSI { 477} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HB3 )) 4.800 2.900 1.200 peak 477 spectrum 1 weight 0.10000E+01 volume 0.36239E-03 ppm1 8.605 ppm2 2.994 CV 1 ASSI { 478} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HD1%) 3.100 1.200 1.200 peak 478 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 8.608 ppm2 0.542 CV 1 ASSI { 479} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB3 )) 2.800 1.000 1.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.13644E-02 ppm1 8.609 ppm2 1.993 CV 1 ASSI { 480} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HD2%) 2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.13676E-02 ppm1 8.609 ppm2 0.638 CV 1 ASSI { 481} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.900 1.000 1.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.14306E-02 ppm1 8.609 ppm2 3.560 CV 1 ASSI { 482} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.000 1.100 1.100 peak 482 spectrum 1 weight 0.10000E+01 volume 0.19191E-02 ppm1 8.608 ppm2 2.467 CV 1 ASSI { 483} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HG )) 3.700 1.800 1.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.15125E-02 ppm1 8.609 ppm2 1.603 CV 1 ASSI { 484} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.000 1.100 1.100 peak 484 spectrum 1 weight 0.10000E+01 volume 0.11785E-02 ppm1 8.607 ppm2 -0.003 CV 1 ASSI { 485} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG )) 3.000 1.100 1.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.34033E-02 ppm1 8.608 ppm2 1.855 CV 1 ASSI { 486} (( segid " " and resid 16 and name HN )) (( segid " " and resid 12 and name HA )) 3.300 3.300 2.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.48528E-03 ppm1 8.609 ppm2 4.623 CV 1 ASSI { 488} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HN )) 4.300 2.400 1.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.24138E-03 ppm1 7.769 ppm2 8.429 CV 1 ASSI { 490} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB3 )) 3.100 1.200 1.200 peak 490 spectrum 1 weight 0.10000E+01 volume 0.33402E-02 ppm1 8.609 ppm2 1.246 CV 1 ASSI { 491} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HA2 )) 3.300 1.400 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.20357E-02 ppm1 8.609 ppm2 4.001 CV 1 ASSI { 492} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HB3 )) 3.800 3.800 2.200 peak 492 spectrum 1 weight 0.10000E+01 volume 0.22846E-03 ppm1 7.771 ppm2 2.888 CV 1 ASSI { 493} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HA )) 5.100 3.300 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.17835E-03 ppm1 8.611 ppm2 4.491 CV 1 ASSI { 494} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HN )) 3.700 1.700 1.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.63339E-03 ppm1 7.778 ppm2 9.087 CV 1 ASSI { 495} (( segid " " and resid 73 and name HN )) (( segid " " and resid 69 and name HA )) 3.300 1.300 1.300 peak 495 spectrum 1 weight 0.10000E+01 volume 0.11628E-02 ppm1 7.779 ppm2 4.533 CV 1 ASSI { 496} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HA )) 3.500 1.500 1.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.84452E-03 ppm1 7.778 ppm2 4.643 CV 1 ASSI { 497} (( segid " " and resid 73 and name HN )) ( segid " " and resid 72 and name HD1%) 3.300 1.300 1.300 peak 497 spectrum 1 weight 0.10000E+01 volume 0.32457E-02 ppm1 7.780 ppm2 1.678 CV 1 ASSI { 498} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.200 0.600 0.600 peak 498 spectrum 1 weight 0.10000E+01 volume 0.91700E-02 ppm1 7.777 ppm2 2.161 CV 1 OR { 498} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB3 )) ASSI { 499} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 3.200 1.300 1.300 peak 499 spectrum 1 weight 0.10000E+01 volume 0.12290E-02 ppm1 7.779 ppm2 4.284 CV 1 ASSI { 500} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HN )) 2.700 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.21775E-02 ppm1 7.778 ppm2 8.821 CV 1 ASSI { 501} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG3 )) 3.400 1.400 1.400 peak 501 spectrum 1 weight 0.10000E+01 volume 0.30472E-02 ppm1 7.775 ppm2 2.306 CV 1 OR { 501} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 503} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.800 1.000 1.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.24894E-02 ppm1 7.777 ppm2 4.101 CV 1 ASSI { 504} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HN )) 4.200 2.200 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.31827E-03 ppm1 7.780 ppm2 8.616 CV 1 ASSI { 505} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HG )) 4.500 2.600 1.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.34348E-03 ppm1 7.777 ppm2 1.220 CV 1 ASSI { 506} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB3 )) 4.100 2.100 1.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.45377E-03 ppm1 7.777 ppm2 1.453 CV 1 ASSI { 507} (( segid " " and resid 73 and name HN )) ( segid " " and resid 72 and name HD2%) 3.600 1.700 1.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.15756E-02 ppm1 7.778 ppm2 0.906 CV 1 ASSI { 508} (( segid " " and resid 73 and name HN )) (( segid " " and resid 69 and name HB2 )) 4.300 2.400 1.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.27132E-03 ppm1 7.774 ppm2 3.365 CV 1 ASSI { 509} (( segid " " and resid 73 and name HN )) ( segid " " and resid 74 and name HB% ) 3.400 1.400 1.400 peak 509 spectrum 1 weight 0.10000E+01 volume 0.23098E-02 ppm1 7.777 ppm2 1.572 CV 1 ASSI { 510} (( segid " " and resid 102 and name HN )) (( segid " " and resid 99 and name HN )) 4.400 2.400 1.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.29306E-03 ppm1 7.812 ppm2 8.480 CV 1 ASSI { 511} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HE2 )) 4.400 2.400 1.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.45692E-03 ppm1 7.027 ppm2 2.895 CV 1 OR { 511} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HE3 )) ASSI { 512} (( segid " " and resid 82 and name HN )) (( segid " " and resid 85 and name HA1 )) 4.400 2.400 1.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.83505E-03 ppm1 7.025 ppm2 4.045 CV 1 ASSI { 513} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG3 )) 3.600 1.600 1.600 peak 513 spectrum 1 weight 0.10000E+01 volume 0.80040E-03 ppm1 7.024 ppm2 1.302 CV 1 ASSI { 514} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.300 1.400 1.400 peak 514 spectrum 1 weight 0.10000E+01 volume 0.12163E-02 ppm1 7.024 ppm2 1.991 CV 1 ASSI { 515} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HA )) 3.600 1.600 1.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.75627E-03 ppm1 7.026 ppm2 3.810 CV 1 ASSI { 516} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG2 )) 2.800 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.12384E-02 ppm1 7.025 ppm2 1.448 CV 1 ASSI { 519} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HN )) 2.300 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.42541E-02 ppm1 7.024 ppm2 7.282 CV 1 ASSI { 520} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB3 )) 2.500 0.800 0.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.38129E-02 ppm1 7.026 ppm2 1.583 CV 1 ASSI { 521} (( segid " " and resid 102 and name HN )) (( segid " " and resid 99 and name HE2 )) 3.000 3.000 3.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.19065E-02 ppm1 7.812 ppm2 2.653 CV 1 ASSI { 523} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.500 0.800 0.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.39075E-02 ppm1 7.812 ppm2 1.519 CV 1 ASSI { 524} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB3 )) 2.700 0.900 0.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.40335E-02 ppm1 7.813 ppm2 1.296 CV 1 ASSI { 526} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 2.800 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.23602E-02 ppm1 7.812 ppm2 3.483 CV 1 ASSI { 527} (( segid " " and resid 102 and name HN )) (( segid " " and resid 99 and name HA )) 3.400 1.400 1.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.70583E-03 ppm1 7.816 ppm2 3.843 CV 1 ASSI { 528} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG3 )) 3.600 1.600 1.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.99578E-03 ppm1 7.809 ppm2 1.044 CV 1 ASSI { 529} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 3.100 1.200 1.200 peak 529 spectrum 1 weight 0.10000E+01 volume 0.16291E-02 ppm1 7.813 ppm2 7.677 CV 1 ASSI { 531} (( segid " " and resid 102 and name HN )) (( segid " " and resid 98 and name HA )) 4.100 2.100 1.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.46638E-03 ppm1 7.809 ppm2 4.345 CV 1 ASSI { 532} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HN )) 4.300 2.300 1.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.65229E-03 ppm1 7.024 ppm2 8.756 CV 1 ASSI { 533} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 3.500 1.600 1.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.10115E-02 ppm1 8.196 ppm2 4.456 CV 1 ASSI { 534} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HD1%) 3.200 1.200 1.200 peak 534 spectrum 1 weight 0.10000E+01 volume 0.23508E-02 ppm1 8.196 ppm2 0.985 CV 1 ASSI { 535} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HB3 )) 3.500 1.600 1.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.14086E-02 ppm1 8.193 ppm2 1.956 CV 1 OR { 535} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HG3 )) OR { 535} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HG2 )) ASSI { 536} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD% ) 3.700 1.700 1.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.37499E-03 ppm1 8.193 ppm2 6.974 CV 1 ASSI { 538} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HD3 )) 3.300 1.400 1.400 peak 538 spectrum 1 weight 0.10000E+01 volume 0.93903E-03 ppm1 8.192 ppm2 3.029 CV 1 ASSI { 539} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.14054E-02 ppm1 8.192 ppm2 4.780 CV 1 ASSI { 540} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HD2 )) 3.800 1.800 1.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.10777E-02 ppm1 8.197 ppm2 3.399 CV 1 ASSI { 541} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB3 )) 3.400 1.400 1.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.19411E-02 ppm1 8.194 ppm2 1.320 CV 1 ASSI { 543} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) 3.400 1.400 1.400 peak 543 spectrum 1 weight 0.10000E+01 volume 0.69327E-03 ppm1 8.192 ppm2 2.755 CV 1 ASSI { 545} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.300 1.300 1.300 peak 545 spectrum 1 weight 0.10000E+01 volume 0.11187E-02 ppm1 8.195 ppm2 3.208 CV 1 ASSI { 546} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HN )) 3.600 1.600 1.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.15788E-02 ppm1 8.191 ppm2 7.726 CV 1 ASSI { 548} (( segid " " and resid 102 and name HN )) (( segid " " and resid 105 and name HN )) 3.000 3.000 3.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.28518E-02 ppm1 7.825 ppm2 7.932 CV 1 ASSI { 549} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) 3.800 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.53570E-03 ppm1 7.693 ppm2 4.224 CV 1 ASSI { 552} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) 3.200 1.300 1.300 peak 552 spectrum 1 weight 0.10000E+01 volume 0.12037E-02 ppm1 7.695 ppm2 4.442 CV 1 ASSI { 554} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB3 )) 3.600 1.600 1.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.11470E-02 ppm1 7.691 ppm2 1.917 CV 1 OR { 554} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 555} (( segid " " and resid 53 and name HN )) ( segid " " and resid 53 and name HB% ) 2.300 0.700 0.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.79408E-02 ppm1 7.694 ppm2 1.403 CV 1 ASSI { 556} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD2%) 3.500 1.600 1.600 peak 556 spectrum 1 weight 0.10000E+01 volume 0.16418E-02 ppm1 7.697 ppm2 0.901 CV 1 OR { 556} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 557} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.900 1.000 1.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.34978E-02 ppm1 7.694 ppm2 1.527 CV 1 ASSI { 558} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 3.000 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.15189E-02 ppm1 7.696 ppm2 3.300 CV 1 ASSI { 559} (( segid " " and resid 59 and name HN )) ( segid " " and resid 59 and name HD1%) 5.200 3.400 0.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.17867E-03 ppm1 8.034 ppm2 0.842 CV 1 OR { 559} (( segid " " and resid 59 and name HN )) ( segid " " and resid 59 and name HD2%) ASSI { 560} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HN )) 2.300 0.700 0.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.61133E-02 ppm1 7.694 ppm2 7.829 CV 1 ASSI { 562} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HG2 )) 2.800 1.000 1.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.26942E-02 ppm1 7.829 ppm2 1.672 CV 1 ASSI { 564} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB3 )) 3.100 1.200 1.200 peak 564 spectrum 1 weight 0.10000E+01 volume 0.17269E-02 ppm1 7.694 ppm2 0.620 CV 1 ASSI { 565} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) 2.300 0.700 0.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.74680E-02 ppm1 7.826 ppm2 2.035 CV 1 OR { 565} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB3 )) ASSI { 569} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 2.600 0.900 0.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.29527E-02 ppm1 7.696 ppm2 8.304 CV 1 ASSI { 571} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HN )) 2.700 0.900 0.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.25304E-02 ppm1 7.827 ppm2 8.565 CV 1 ASSI { 572} (( segid " " and resid 96 and name HN )) (( segid " " and resid 98 and name HN )) 4.000 2.000 2.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.54830E-03 ppm1 7.827 ppm2 9.143 CV 1 ASSI { 574} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HB3 )) 3.400 3.400 2.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.13581E-02 ppm1 7.705 ppm2 2.893 CV 1 ASSI { 575} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD% ) 3.600 1.600 1.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.68696E-03 ppm1 9.083 ppm2 7.115 CV 1 ASSI { 578} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HD1%) 3.600 1.600 1.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.22436E-02 ppm1 9.084 ppm2 0.812 CV 1 ASSI { 579} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 3.600 1.600 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.69327E-03 ppm1 9.085 ppm2 4.438 CV 1 ASSI { 581} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.900 1.900 1.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 9.083 ppm2 3.302 CV 1 ASSI { 582} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB3 )) 2.800 1.000 1.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.15945E-02 ppm1 9.083 ppm2 3.173 CV 1 ASSI { 583} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) 2.500 0.800 0.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.18498E-02 ppm1 9.083 ppm2 1.258 CV 1 ASSI { 584} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB3 )) 2.700 0.900 0.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.64599E-02 ppm1 9.084 ppm2 2.107 CV 1 ASSI { 585} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HD2%) 3.500 1.600 1.600 peak 585 spectrum 1 weight 0.10000E+01 volume 0.16544E-02 ppm1 9.083 ppm2 1.013 CV 1 ASSI { 586} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HA )) 3.200 1.300 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.12195E-02 ppm1 9.083 ppm2 4.108 CV 1 ASSI { 588} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HN )) 2.600 0.900 0.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.28613E-02 ppm1 8.031 ppm2 8.301 CV 1 ASSI { 590} (( segid " " and resid 59 and name HN )) ( segid " " and resid 16 and name HD1%) 3.600 1.700 1.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.67120E-03 ppm1 8.033 ppm2 0.550 CV 1 ASSI { 592} (( segid " " and resid 59 and name HN )) (( segid " " and resid 56 and name HA )) 3.300 1.400 1.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.76890E-03 ppm1 8.034 ppm2 3.743 CV 1 ASSI { 594} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.900 1.000 1.000 peak 594 spectrum 1 weight 0.10000E+01 volume 0.16670E-02 ppm1 9.086 ppm2 3.703 CV 1 ASSI { 595} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB3 )) 2.500 0.800 0.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.34978E-02 ppm1 8.033 ppm2 1.541 CV 1 ASSI { 596} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB )) 2.600 0.800 0.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.30818E-02 ppm1 8.032 ppm2 1.989 CV 1 ASSI { 597} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.400 0.700 0.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.49158E-02 ppm1 8.033 ppm2 1.725 CV 1 ASSI { 598} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HG2%) 2.900 1.000 1.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.36554E-02 ppm1 8.032 ppm2 0.947 CV 1 ASSI { 599} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HD3 )) 2.600 2.600 3.400 peak 599 spectrum 1 weight 0.10000E+01 volume 0.42856E-02 ppm1 8.798 ppm2 3.153 CV 1 ASSI { 600} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HG13)) 4.500 2.500 1.500 peak 600 spectrum 1 weight 0.10000E+01 volume 0.39390E-03 ppm1 8.032 ppm2 1.115 CV 1 ASSI { 602} (( segid " " and resid 90 and name HN )) (( segid " " and resid 86 and name HB )) 3.900 1.900 1.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.11124E-02 ppm1 7.705 ppm2 2.304 CV 1 ASSI { 603} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB3 )) 3.400 1.500 1.500 peak 603 spectrum 1 weight 0.10000E+01 volume 0.23886E-02 ppm1 7.710 ppm2 1.609 CV 1 ASSI { 604} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HA )) 3.300 1.400 1.400 peak 604 spectrum 1 weight 0.10000E+01 volume 0.10273E-02 ppm1 7.712 ppm2 4.561 CV 1 ASSI { 605} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 3.400 1.400 1.400 peak 605 spectrum 1 weight 0.10000E+01 volume 0.69643E-03 ppm1 8.800 ppm2 4.209 CV 1 ASSI { 606} (( segid " " and resid 56 and name HN )) ( segid " " and resid 52 and name HD2%) 3.400 1.500 1.500 peak 606 spectrum 1 weight 0.10000E+01 volume 0.11250E-02 ppm1 8.800 ppm2 0.889 CV 1 ASSI { 607} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG2 )) 3.100 1.200 1.200 peak 607 spectrum 1 weight 0.10000E+01 volume 0.11912E-02 ppm1 8.801 ppm2 1.528 CV 1 ASSI { 608} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HG3 )) 2.700 0.900 0.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.24989E-02 ppm1 7.711 ppm2 2.487 CV 1 ASSI { 609} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.800 1.000 1.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.21648E-02 ppm1 8.801 ppm2 3.742 CV 1 ASSI { 610} (( segid " " and resid 56 and name HN )) (( segid " " and resid 52 and name HA )) 4.100 2.100 1.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.42226E-03 ppm1 8.798 ppm2 3.307 CV 1 ASSI { 611} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HG2 )) 2.700 2.700 3.300 peak 611 spectrum 1 weight 0.10000E+01 volume 0.73424E-02 ppm1 7.710 ppm2 2.660 CV 1 ASSI { 612} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB3 )) 2.300 0.700 0.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.80987E-02 ppm1 8.801 ppm2 1.772 CV 1 OR { 612} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) ASSI { 614} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HN )) 2.800 1.000 1.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.21428E-02 ppm1 7.709 ppm2 8.447 CV 1 ASSI { 615} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HN )) 2.700 0.900 0.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.26124E-02 ppm1 7.710 ppm2 8.695 CV 1 ASSI { 617} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 2.600 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.23067E-02 ppm1 8.801 ppm2 7.983 CV 1 ASSI { 618} (( segid " " and resid 56 and name HN )) ( segid " " and resid 58 and name HD1%) 4.300 2.300 1.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.29117E-03 ppm1 8.802 ppm2 0.758 CV 1 ASSI { 619} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HA )) 3.100 1.200 1.200 peak 619 spectrum 1 weight 0.10000E+01 volume 0.17647E-02 ppm1 8.803 ppm2 3.918 CV 1 ASSI { 621} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB3 )) 3.200 1.300 1.300 peak 621 spectrum 1 weight 0.10000E+01 volume 0.19601E-02 ppm1 8.802 ppm2 1.293 CV 1 ASSI { 622} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HA )) 4.400 2.500 1.600 peak 622 spectrum 1 weight 0.10000E+01 volume 0.19789E-03 ppm1 7.711 ppm2 4.164 CV 1 ASSI { 623} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 3.800 1.800 1.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.56091E-03 ppm1 8.133 ppm2 4.006 CV 1 ASSI { 624} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB3 )) 3.800 1.800 1.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.60818E-03 ppm1 8.128 ppm2 2.946 CV 1 ASSI { 625} (( segid " " and resid 63 and name HN )) ( segid " " and resid 59 and name HD1%) 3.400 1.400 1.400 peak 625 spectrum 1 weight 0.10000E+01 volume 0.10273E-02 ppm1 8.203 ppm2 0.855 CV 1 OR { 625} (( segid " " and resid 63 and name HN )) ( segid " " and resid 59 and name HD2%) ASSI { 626} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HA )) 3.500 1.500 1.500 peak 626 spectrum 1 weight 0.10000E+01 volume 0.79724E-03 ppm1 7.282 ppm2 3.816 CV 1 ASSI { 627} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) 2.900 1.000 1.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.25020E-02 ppm1 8.133 ppm2 3.122 CV 1 ASSI { 628} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 3.300 1.400 1.400 peak 628 spectrum 1 weight 0.10000E+01 volume 0.98315E-03 ppm1 7.282 ppm2 4.965 CV 1 ASSI { 629} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HG2%) 3.800 1.800 1.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.97368E-03 ppm1 7.284 ppm2 1.193 CV 1 ASSI { 631} (( segid " " and resid 81 and name HN )) (( segid " " and resid 78 and name HA )) 3.300 1.400 1.400 peak 631 spectrum 1 weight 0.10000E+01 volume 0.91384E-03 ppm1 7.284 ppm2 4.070 CV 1 ASSI { 632} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HG2 )) 2.500 0.800 0.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.54515E-02 ppm1 7.283 ppm2 1.535 CV 1 ASSI { 637} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) 2.700 2.700 3.300 peak 637 spectrum 1 weight 0.10000E+01 volume 0.23697E-02 ppm1 7.284 ppm2 1.989 CV 1 ASSI { 638} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HG3 )) 5.000 3.200 1.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.40966E-03 ppm1 7.281 ppm2 1.318 CV 1 ASSI { 639} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) 3.500 1.500 1.500 peak 639 spectrum 1 weight 0.10000E+01 volume 0.91384E-03 ppm1 7.586 ppm2 4.236 CV 1 ASSI { 640} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HN )) 2.600 0.800 0.800 peak 640 spectrum 1 weight 0.10000E+01 volume 0.35293E-02 ppm1 7.584 ppm2 7.839 CV 1 ASSI { 641} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 2.800 1.000 1.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.21775E-02 ppm1 7.584 ppm2 3.734 CV 1 ASSI { 642} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB )) 2.300 0.700 0.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.49788E-02 ppm1 7.584 ppm2 2.355 CV 1 ASSI { 643} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 3.300 1.300 1.300 peak 643 spectrum 1 weight 0.10000E+01 volume 0.11029E-02 ppm1 8.185 ppm2 3.188 CV 1 ASSI { 644} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HG1%) 2.900 1.100 1.100 peak 644 spectrum 1 weight 0.10000E+01 volume 0.29432E-02 ppm1 7.584 ppm2 1.018 CV 1 ASSI { 645} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HG2%) 3.100 1.200 1.200 peak 645 spectrum 1 weight 0.10000E+01 volume 0.52940E-02 ppm1 7.585 ppm2 1.266 CV 1 ASSI { 646} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HN )) 2.600 0.800 0.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.24800E-02 ppm1 7.586 ppm2 8.431 CV 1 ASSI { 647} (( segid " " and resid 93 and name HN )) ( segid " " and resid 92 and name HB% ) 2.800 1.000 1.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.27258E-02 ppm1 7.584 ppm2 1.631 CV 1 ASSI { 649} (( segid " " and resid 93 and name HN )) (( segid " " and resid 90 and name HA )) 3.000 1.100 1.100 peak 649 spectrum 1 weight 0.10000E+01 volume 0.15756E-02 ppm1 7.585 ppm2 3.925 CV 1 ASSI { 651} (( segid " " and resid 92 and name HN )) ( segid " " and resid 86 and name HD1%) 3.700 1.700 1.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.10651E-02 ppm1 7.842 ppm2 0.699 CV 1 ASSI { 653} (( segid " " and resid 93 and name HN )) (( segid " " and resid 89 and name HA )) 3.400 3.400 2.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.11943E-02 ppm1 7.585 ppm2 4.544 CV 1 ASSI { 654} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HG2%) 3.600 1.600 1.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.97684E-03 ppm1 8.189 ppm2 -0.530 CV 1 ASSI { 655} (( segid " " and resid 92 and name HN )) (( segid " " and resid 89 and name HA )) 3.200 1.300 1.300 peak 655 spectrum 1 weight 0.10000E+01 volume 0.12888E-02 ppm1 7.839 ppm2 4.551 CV 1 ASSI { 656} (( segid " " and resid 92 and name HN )) ( segid " " and resid 12 and name HD2%) 4.200 2.200 1.800 peak 656 spectrum 1 weight 0.10000E+01 volume 0.47268E-03 ppm1 7.839 ppm2 1.127 CV 1 ASSI { 657} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HN )) 2.700 0.900 0.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.28171E-02 ppm1 7.839 ppm2 8.694 CV 1 ASSI { 658} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.22184E-02 ppm1 8.303 ppm2 7.826 CV 1 ASSI { 659} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HD1%) 4.500 2.500 1.500 peak 659 spectrum 1 weight 0.10000E+01 volume 0.48213E-03 ppm1 8.184 ppm2 0.544 CV 1 ASSI { 660} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.800 1.000 1.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.20357E-02 ppm1 8.304 ppm2 2.754 CV 1 ASSI { 661} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 2.800 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.30913E-02 ppm1 7.839 ppm2 4.238 CV 1 ASSI { 662} (( segid " " and resid 36 and name HN )) (( segid " " and resid 33 and name HA )) 3.200 1.300 1.300 peak 662 spectrum 1 weight 0.10000E+01 volume 0.10367E-02 ppm1 8.303 ppm2 4.525 CV 1 ASSI { 663} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB3 )) 2.300 0.700 0.700 peak 663 spectrum 1 weight 0.10000E+01 volume 0.42856E-02 ppm1 8.306 ppm2 1.269 CV 1 ASSI { 664} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 3.000 1.100 1.100 peak 664 spectrum 1 weight 0.10000E+01 volume 0.20199E-02 ppm1 8.185 ppm2 4.217 CV 1 ASSI { 665} (( segid " " and resid 92 and name HN )) ( segid " " and resid 92 and name HB% ) 2.300 0.700 0.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.80987E-02 ppm1 7.839 ppm2 1.632 CV 1 ASSI { 666} (( segid " " and resid 63 and name HN )) ( segid " " and resid 63 and name HB% ) 2.400 0.700 0.700 peak 666 spectrum 1 weight 0.10000E+01 volume 0.63024E-02 ppm1 8.187 ppm2 1.452 CV 1 ASSI { 667} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HG )) 3.600 1.600 1.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.33718E-03 ppm1 8.304 ppm2 1.880 CV 1 ASSI { 669} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HB )) 4.400 2.400 1.600 peak 669 spectrum 1 weight 0.10000E+01 volume 0.65544E-03 ppm1 7.844 ppm2 2.353 CV 1 ASSI { 671} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB )) 2.700 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.28203E-02 ppm1 8.188 ppm2 1.201 CV 1 ASSI { 674} (( segid " " and resid 92 and name HN )) ( segid " " and resid 91 and name HB% ) 2.700 0.900 0.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.35293E-02 ppm1 7.840 ppm2 1.466 CV 1 ASSI { 676} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG2 )) 4.000 2.000 2.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.66490E-03 ppm1 8.303 ppm2 0.332 CV 1 ASSI { 677} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.21680E-02 ppm1 8.187 ppm2 7.617 CV 1 ASSI { 679} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.500 0.800 0.800 peak 679 spectrum 1 weight 0.10000E+01 volume 0.51680E-02 ppm1 8.306 ppm2 1.521 CV 1 ASSI { 680} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 3.500 1.500 1.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.83821E-03 ppm1 8.013 ppm2 7.841 CV 1 ASSI { 683} (( segid " " and resid 92 and name HN )) ( segid " " and resid 93 and name HG2%) 4.100 2.100 1.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.93278E-03 ppm1 7.839 ppm2 1.269 CV 1 ASSI { 684} (( segid " " and resid 36 and name HN )) ( segid " " and resid 35 and name HD2%) 3.400 1.500 1.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.23035E-02 ppm1 8.312 ppm2 0.889 CV 1 ASSI { 685} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 4.700 2.800 1.300 peak 685 spectrum 1 weight 0.10000E+01 volume 0.11597E-03 ppm1 7.840 ppm2 3.863 CV 1 ASSI { 686} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 3.700 1.700 1.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.55145E-03 ppm1 8.008 ppm2 4.520 CV 1 ASSI { 687} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.400 1.400 1.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 8.009 ppm2 2.747 CV 1 OR { 687} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB3 )) ASSI { 688} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG13)) 5.000 3.100 1.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.21491E-03 ppm1 8.183 ppm2 0.751 CV 1 ASSI { 689} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 3.700 1.700 1.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.50734E-03 ppm1 8.011 ppm2 4.305 CV 1 ASSI { 690} (( segid " " and resid 63 and name HN )) (( segid " " and resid 59 and name HG )) 2.400 2.400 3.600 peak 690 spectrum 1 weight 0.10000E+01 volume 0.29464E-02 ppm1 8.183 ppm2 1.726 CV 1 OR { 690} (( segid " " and resid 63 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 691} (( segid " " and resid 92 and name HN )) (( segid " " and resid 89 and name HB2 )) 1.800 1.800 4.200 peak 691 spectrum 1 weight 0.10000E+01 volume 0.16197E-01 ppm1 7.855 ppm2 2.699 CV 1 OR { 691} (( segid " " and resid 92 and name HN )) (( segid " " and resid 89 and name HB3 )) ASSI { 692} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HD22)) 4.300 2.300 1.700 peak 692 spectrum 1 weight 0.10000E+01 volume 0.61133E-03 ppm1 8.399 ppm2 7.873 CV 1 ASSI { 693} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.200 1.200 1.200 peak 693 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 8.406 ppm2 3.391 CV 1 ASSI { 694} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 2.600 0.900 0.900 peak 694 spectrum 1 weight 0.10000E+01 volume 0.37499E-02 ppm1 8.405 ppm2 3.027 CV 1 ASSI { 695} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 2.900 1.000 1.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.20797E-02 ppm1 8.403 ppm2 4.625 CV 1 ASSI { 696} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB3 )) 2.900 1.100 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.24958E-02 ppm1 8.405 ppm2 2.876 CV 1 ASSI { 698} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 2.600 0.800 0.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.35293E-02 ppm1 8.404 ppm2 9.090 CV 1 ASSI { 699} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HD21)) 3.600 1.700 1.700 peak 699 spectrum 1 weight 0.10000E+01 volume 0.84452E-03 ppm1 8.410 ppm2 7.049 CV 1 ASSI { 700} (( segid " " and resid 70 and name HN )) (( segid " " and resid 72 and name HN )) 4.000 2.000 2.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.69958E-03 ppm1 8.402 ppm2 8.826 CV 1 ASSI { 701} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HB2 )) 4.200 2.200 1.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.67749E-03 ppm1 8.403 ppm2 2.257 CV 1 ASSI { 703} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HG2 )) 4.300 2.300 1.700 peak 703 spectrum 1 weight 0.10000E+01 volume 0.20041E-03 ppm1 7.941 ppm2 2.633 CV 1 ASSI { 704} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.100 1.200 1.200 peak 704 spectrum 1 weight 0.10000E+01 volume 0.14590E-02 ppm1 7.934 ppm2 3.136 CV 1 ASSI { 705} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 2.500 0.800 0.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.32457E-02 ppm1 7.937 ppm2 6.917 CV 1 ASSI { 706} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB3 )) 3.300 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.18277E-02 ppm1 7.937 ppm2 2.420 CV 1 ASSI { 707} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HN )) 3.700 1.700 1.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.10997E-02 ppm1 7.934 ppm2 8.439 CV 1 ASSI { 708} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HN )) 3.200 1.300 1.300 peak 708 spectrum 1 weight 0.10000E+01 volume 0.19254E-02 ppm1 7.935 ppm2 7.176 CV 1 ASSI { 709} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 2.300 0.700 0.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.58927E-02 ppm1 7.935 ppm2 4.549 CV 1 ASSI { 710} (( segid " " and resid 66 and name HN )) ( segid " " and resid 65 and name HB% ) 3.100 1.200 1.200 peak 710 spectrum 1 weight 0.10000E+01 volume 0.16985E-02 ppm1 7.935 ppm2 1.306 CV 1 ASSI { 711} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 3.200 1.300 1.300 peak 711 spectrum 1 weight 0.10000E+01 volume 0.18560E-02 ppm1 7.936 ppm2 4.395 CV 1 ASSI { 715} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA1 )) 2.700 0.900 0.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.37814E-02 ppm1 8.258 ppm2 3.965 CV 1 OR { 715} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA2 )) ASSI { 716} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB3 )) 2.900 1.000 1.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.33718E-02 ppm1 8.257 ppm2 2.004 CV 1 ASSI { 717} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.900 1.000 1.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.23319E-02 ppm1 8.258 ppm2 4.284 CV 1 ASSI { 718} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG2 )) 3.100 1.200 1.200 peak 718 spectrum 1 weight 0.10000E+01 volume 0.20577E-02 ppm1 8.258 ppm2 2.286 CV 1 OR { 718} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG3 )) ASSI { 719} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 3.200 1.300 1.300 peak 719 spectrum 1 weight 0.10000E+01 volume 0.12227E-02 ppm1 8.258 ppm2 2.108 CV 1 ASSI { 720} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HA )) 3.200 1.300 1.300 peak 720 spectrum 1 weight 0.10000E+01 volume 0.19191E-02 ppm1 7.833 ppm2 3.327 CV 1 ASSI { 721} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HG )) 4.100 2.100 1.900 peak 721 spectrum 1 weight 0.10000E+01 volume 0.41281E-03 ppm1 8.253 ppm2 1.576 CV 1 OR { 721} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HB2 )) ASSI { 722} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.20419E-02 ppm1 8.134 ppm2 4.186 CV 1 ASSI { 723} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB )) 3.100 1.200 1.200 peak 723 spectrum 1 weight 0.10000E+01 volume 0.16386E-02 ppm1 8.130 ppm2 1.897 CV 1 ASSI { 724} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG12)) 4.300 2.300 1.700 peak 724 spectrum 1 weight 0.10000E+01 volume 0.82243E-03 ppm1 8.136 ppm2 1.520 CV 1 ASSI { 725} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HG2%) 3.100 1.200 1.200 peak 725 spectrum 1 weight 0.10000E+01 volume 0.14086E-02 ppm1 8.131 ppm2 0.898 CV 1 ASSI { 726} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB3 )) 2.200 0.600 0.600 peak 726 spectrum 1 weight 0.10000E+01 volume 0.89181E-02 ppm1 7.839 ppm2 1.906 CV 1 OR { 726} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 727} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.300 0.600 0.600 peak 727 spectrum 1 weight 0.10000E+01 volume 0.84137E-02 ppm1 7.838 ppm2 4.001 CV 1 ASSI { 728} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HN )) 3.500 1.500 1.500 peak 728 spectrum 1 weight 0.10000E+01 volume 0.12920E-02 ppm1 7.839 ppm2 8.308 CV 1 ASSI { 729} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HG3 )) 3.200 1.300 1.300 peak 729 spectrum 1 weight 0.10000E+01 volume 0.83190E-03 ppm1 7.838 ppm2 1.269 CV 1 ASSI { 730} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HN )) 4.000 2.000 2.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 7.839 ppm2 8.809 CV 1 ASSI { 731} (( segid " " and resid 54 and name HN )) ( segid " " and resid 53 and name HB% ) 2.500 0.800 0.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.60502E-02 ppm1 7.838 ppm2 1.406 CV 1 ASSI { 732} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA1 )) 3.000 1.100 1.100 peak 732 spectrum 1 weight 0.10000E+01 volume 0.20640E-02 ppm1 8.125 ppm2 3.956 CV 1 OR { 732} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA2 )) ASSI { 735} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HE2 )) 3.400 1.400 1.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.16228E-02 ppm1 7.846 ppm2 2.903 CV 1 OR { 735} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HE3 )) ASSI { 737} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HA )) 1.500 1.500 4.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.45062E-01 ppm1 7.839 ppm2 4.440 CV 1 ASSI { 738} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.800 1.000 1.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.68696E-02 ppm1 7.838 ppm2 1.744 CV 1 ASSI { 739} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HA )) 3.000 1.100 1.100 peak 739 spectrum 1 weight 0.10000E+01 volume 0.17269E-02 ppm1 8.304 ppm2 3.979 CV 1 ASSI { 741} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB3 )) 2.900 1.000 1.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.23413E-02 ppm1 8.306 ppm2 2.882 CV 1 ASSI { 742} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HD2%) 3.400 1.400 1.400 peak 742 spectrum 1 weight 0.10000E+01 volume 0.20797E-02 ppm1 8.306 ppm2 0.899 CV 1 OR { 742} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 743} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 743 spectrum 1 weight 0.10000E+01 volume 0.14810E-02 ppm1 8.304 ppm2 4.225 CV 1 ASSI { 744} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB3 )) 3.000 1.100 1.100 peak 744 spectrum 1 weight 0.10000E+01 volume 0.36239E-02 ppm1 8.305 ppm2 0.618 CV 1 ASSI { 745} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 2.600 0.800 0.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.28739E-02 ppm1 8.306 ppm2 6.715 CV 1 ASSI { 747} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.23445E-02 ppm1 8.305 ppm2 3.303 CV 1 ASSI { 749} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HD2 )) 3.400 1.500 1.500 peak 749 spectrum 1 weight 0.10000E+01 volume 0.86971E-03 ppm1 8.306 ppm2 3.713 CV 1 ASSI { 750} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) 3.500 1.600 1.600 peak 750 spectrum 1 weight 0.10000E+01 volume 0.12510E-02 ppm1 8.306 ppm2 3.180 CV 1 ASSI { 751} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.39390E-02 ppm1 8.306 ppm2 1.530 CV 1 ASSI { 752} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HN )) 4.400 2.400 1.600 peak 752 spectrum 1 weight 0.10000E+01 volume 0.22751E-03 ppm1 8.307 ppm2 8.102 CV 1 ASSI { 753} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.000 1.100 1.100 peak 753 spectrum 1 weight 0.10000E+01 volume 0.40335E-02 ppm1 8.567 ppm2 3.508 CV 1 ASSI { 754} (( segid " " and resid 97 and name HN )) ( segid " " and resid 97 and name HD% ) 3.200 1.300 1.300 peak 754 spectrum 1 weight 0.10000E+01 volume 0.67120E-03 ppm1 8.570 ppm2 7.338 CV 1 ASSI { 756} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB2 )) 2.800 1.000 1.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.30094E-02 ppm1 8.567 ppm2 2.035 CV 1 OR { 756} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB3 )) ASSI { 757} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB3 )) 2.500 0.800 0.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.37499E-02 ppm1 8.567 ppm2 3.392 CV 1 ASSI { 758} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HN )) 3.000 1.100 1.100 peak 758 spectrum 1 weight 0.10000E+01 volume 0.19096E-02 ppm1 8.568 ppm2 9.153 CV 1 ASSI { 759} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HA )) 2.900 2.900 3.100 peak 759 spectrum 1 weight 0.10000E+01 volume 0.26533E-02 ppm1 8.306 ppm2 4.441 CV 1 ASSI { 761} (( segid " " and resid 97 and name HN )) ( segid " " and resid 16 and name HD2%) 3.800 1.800 1.800 peak 761 spectrum 1 weight 0.10000E+01 volume 0.57352E-03 ppm1 8.566 ppm2 0.639 CV 1 ASSI { 763} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HD2 )) 3.800 1.800 1.800 peak 763 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 8.567 ppm2 1.753 CV 1 OR { 763} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HD3 )) ASSI { 764} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 2.800 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.24674E-02 ppm1 8.566 ppm2 4.360 CV 1 ASSI { 765} (( segid " " and resid 97 and name HN )) (( segid " " and resid 94 and name HA )) 3.700 1.700 1.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.45377E-03 ppm1 8.568 ppm2 3.700 CV 1 ASSI { 766} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB )) 2.400 0.700 0.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.57667E-02 ppm1 7.931 ppm2 1.823 CV 1 ASSI { 767} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HG12)) 3.300 1.400 1.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.18435E-02 ppm1 7.929 ppm2 1.158 CV 1 ASSI { 768} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HD1%) 3.200 1.200 1.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.15283E-02 ppm1 7.929 ppm2 0.851 CV 1 OR { 768} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG2%) ASSI { 769} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 2.500 0.800 0.800 peak 769 spectrum 1 weight 0.10000E+01 volume 0.58297E-02 ppm1 7.930 ppm2 4.238 CV 1 ASSI { 770} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 2.500 0.800 0.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.39705E-02 ppm1 7.930 ppm2 8.198 CV 1 ASSI { 771} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HA )) 4.200 2.200 1.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.32142E-03 ppm1 8.694 ppm2 4.544 CV 1 ASSI { 772} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HD3 )) 3.700 1.700 1.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.75627E-03 ppm1 7.933 ppm2 1.603 CV 1 ASSI { 773} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.600 0.800 0.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.40650E-02 ppm1 7.931 ppm2 4.086 CV 1 ASSI { 774} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HG13)) 2.700 0.900 0.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.29306E-02 ppm1 7.931 ppm2 1.426 CV 1 ASSI { 776} (( segid " " and resid 91 and name HN )) ( segid " " and resid 86 and name HD1%) 3.100 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.15913E-02 ppm1 8.695 ppm2 0.673 CV 1 ASSI { 779} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 2.600 0.900 0.900 peak 779 spectrum 1 weight 0.10000E+01 volume 0.30945E-02 ppm1 8.695 ppm2 3.870 CV 1 ASSI { 780} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG )) 3.100 1.200 1.200 peak 780 spectrum 1 weight 0.10000E+01 volume 0.10273E-02 ppm1 8.820 ppm2 1.214 CV 1 ASSI { 781} (( segid " " and resid 91 and name HN )) (( segid " " and resid 88 and name HA )) 2.900 1.100 1.100 peak 781 spectrum 1 weight 0.10000E+01 volume 0.19316E-02 ppm1 8.694 ppm2 4.172 CV 1 ASSI { 782} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HG2 )) 3.500 1.500 1.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.26092E-02 ppm1 8.695 ppm2 2.623 CV 1 ASSI { 783} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB3 )) 3.100 1.200 1.200 peak 783 spectrum 1 weight 0.10000E+01 volume 0.21523E-02 ppm1 8.696 ppm2 1.605 CV 1 ASSI { 784} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HG3 )) 4.300 2.300 1.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.65229E-03 ppm1 8.693 ppm2 2.496 CV 1 ASSI { 785} (( segid " " and resid 91 and name HN )) ( segid " " and resid 91 and name HB% ) 2.300 0.700 0.700 peak 785 spectrum 1 weight 0.10000E+01 volume 0.59242E-02 ppm1 8.696 ppm2 1.465 CV 1 ASSI { 786} (( segid " " and resid 62 and name HN )) (( segid " " and resid 58 and name HN )) 3.100 3.100 2.900 peak 786 spectrum 1 weight 0.10000E+01 volume 0.71846E-03 ppm1 7.616 ppm2 7.897 CV 1 ASSI { 788} (( segid " " and resid 105 and name HN )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 788 spectrum 1 weight 0.10000E+01 volume 0.16323E-02 ppm1 7.938 ppm2 3.502 CV 1 ASSI { 789} (( segid " " and resid 91 and name HN )) ( segid " " and resid 80 and name HG2%) 3.900 1.900 1.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.95165E-03 ppm1 8.696 ppm2 1.181 CV 1 ASSI { 790} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HG2 )) 3.400 1.500 1.500 peak 790 spectrum 1 weight 0.10000E+01 volume 0.24390E-02 ppm1 8.823 ppm2 2.741 CV 1 ASSI { 791} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.900 1.100 1.100 peak 791 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 8.820 ppm2 4.288 CV 1 ASSI { 793} (( segid " " and resid 91 and name HN )) (( segid " " and resid 86 and name HG13)) 3.700 1.700 1.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.39705E-03 ppm1 8.695 ppm2 1.333 CV 1 ASSI { 794} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HN )) 2.800 1.000 1.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.17520E-02 ppm1 8.821 ppm2 9.090 CV 1 ASSI { 795} (( segid " " and resid 72 and name HN )) ( segid " " and resid 72 and name HD1%) 3.800 1.800 1.800 peak 795 spectrum 1 weight 0.10000E+01 volume 0.92015E-03 ppm1 8.817 ppm2 1.663 CV 1 ASSI { 797} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HA )) 3.300 1.300 1.300 peak 797 spectrum 1 weight 0.10000E+01 volume 0.10052E-02 ppm1 8.822 ppm2 4.543 CV 1 ASSI { 799} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB3 )) 3.400 1.400 1.400 peak 799 spectrum 1 weight 0.10000E+01 volume 0.24075E-02 ppm1 8.820 ppm2 1.452 CV 1 ASSI { 800} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 2.300 0.600 0.600 peak 800 spectrum 1 weight 0.10000E+01 volume 0.50734E-02 ppm1 8.822 ppm2 2.163 CV 1 ASSI { 802} (( segid " " and resid 91 and name HN )) (( segid " " and resid 86 and name HB )) 3.800 1.800 1.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.93278E-03 ppm1 8.694 ppm2 2.288 CV 1 ASSI { 804} (( segid " " and resid 52 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.300 1.300 1.300 peak 804 spectrum 1 weight 0.10000E+01 volume 0.28550E-02 ppm1 8.309 ppm2 1.676 CV 1 ASSI { 805} (( segid " " and resid 91 and name HN )) (( segid " " and resid 88 and name HN )) 4.300 2.400 1.700 peak 805 spectrum 1 weight 0.10000E+01 volume 0.25083E-03 ppm1 8.697 ppm2 9.313 CV 1 ASSI { 806} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) 3.000 1.100 1.100 peak 806 spectrum 1 weight 0.10000E+01 volume 0.34978E-02 ppm1 7.889 ppm2 2.295 CV 1 ASSI { 808} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 4.000 2.000 2.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.34033E-03 ppm1 7.891 ppm2 4.236 CV 1 ASSI { 809} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB3 )) 3.900 1.900 1.900 peak 809 spectrum 1 weight 0.10000E+01 volume 0.91384E-03 ppm1 8.820 ppm2 1.997 CV 1 ASSI { 810} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HA )) 2.400 2.400 3.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.57352E-02 ppm1 7.894 ppm2 4.350 CV 1 ASSI { 811} (( segid " " and resid 101 and name HN )) (( segid " " and resid 99 and name HE2 )) 2.900 2.900 3.100 peak 811 spectrum 1 weight 0.10000E+01 volume 0.31827E-02 ppm1 7.890 ppm2 2.655 CV 1 ASSI { 812} (( segid " " and resid 72 and name HN )) ( segid " " and resid 72 and name HD2%) 4.000 2.000 2.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.58927E-03 ppm1 8.819 ppm2 0.872 CV 1 ASSI { 813} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB3 )) 2.800 1.000 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.22941E-02 ppm1 7.619 ppm2 3.365 CV 1 OR { 813} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) ASSI { 815} (( segid " " and resid 72 and name HN )) (( segid " " and resid 68 and name HN )) 3.400 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.16796E-02 ppm1 8.814 ppm2 8.542 CV 1 ASSI { 817} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HG2%) 4.000 2.000 2.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.11029E-02 ppm1 7.619 ppm2 -0.529 CV 1 ASSI { 818} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 3.100 1.200 1.200 peak 818 spectrum 1 weight 0.10000E+01 volume 0.12037E-02 ppm1 7.620 ppm2 3.202 CV 1 ASSI { 820} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.700 0.900 0.900 peak 820 spectrum 1 weight 0.10000E+01 volume 0.35293E-02 ppm1 7.621 ppm2 3.957 CV 1 ASSI { 821} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB )) 2.600 0.800 0.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.30945E-02 ppm1 7.619 ppm2 1.200 CV 1 ASSI { 823} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HD1%) 3.600 1.600 1.600 peak 823 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 7.620 ppm2 0.544 CV 1 ASSI { 824} (( segid " " and resid 27 and name HN )) ( segid " " and resid 27 and name HD% ) 4.200 2.200 1.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.28518E-03 ppm1 8.093 ppm2 7.177 CV 1 ASSI { 825} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG13)) 3.000 1.100 1.100 peak 825 spectrum 1 weight 0.10000E+01 volume 0.84768E-03 ppm1 7.619 ppm2 0.745 CV 1 ASSI { 826} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA1 )) 3.300 1.300 1.300 peak 826 spectrum 1 weight 0.10000E+01 volume 0.15125E-02 ppm1 8.093 ppm2 3.841 CV 1 ASSI { 827} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB3 )) 3.000 1.100 1.100 peak 827 spectrum 1 weight 0.10000E+01 volume 0.18718E-02 ppm1 8.093 ppm2 2.899 CV 1 ASSI { 828} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.000 1.200 1.200 peak 828 spectrum 1 weight 0.10000E+01 volume 0.15913E-02 ppm1 8.094 ppm2 3.126 CV 1 ASSI { 829} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA2 )) 3.300 1.300 1.300 peak 829 spectrum 1 weight 0.10000E+01 volume 0.92015E-03 ppm1 8.090 ppm2 4.005 CV 1 ASSI { 830} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HG )) 3.800 1.800 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.10997E-02 ppm1 7.837 ppm2 1.904 CV 1 ASSI { 831} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 3.700 1.800 1.800 peak 831 spectrum 1 weight 0.10000E+01 volume 0.54200E-03 ppm1 8.612 ppm2 4.187 CV 1 ASSI { 832} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 3.300 1.400 1.400 peak 832 spectrum 1 weight 0.10000E+01 volume 0.91068E-03 ppm1 8.612 ppm2 4.290 CV 1 ASSI { 833} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.600 0.900 0.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.36554E-02 ppm1 8.612 ppm2 3.301 CV 1 ASSI { 834} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB3 )) 2.500 0.800 0.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.34663E-02 ppm1 8.613 ppm2 3.179 CV 1 ASSI { 835} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HB% ) 2.900 1.000 1.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.30755E-02 ppm1 8.612 ppm2 1.575 CV 1 ASSI { 836} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.900 1.000 1.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.23161E-02 ppm1 8.612 ppm2 4.444 CV 1 ASSI { 838} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HN )) 2.600 0.900 0.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.29684E-02 ppm1 8.612 ppm2 7.806 CV 1 ASSI { 839} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 2.700 0.900 0.900 peak 839 spectrum 1 weight 0.10000E+01 volume 0.21712E-02 ppm1 8.613 ppm2 9.082 CV 1 ASSI { 840} (( segid " " and resid 75 and name HN )) ( segid " " and resid 97 and name HE% ) 3.400 3.400 2.600 peak 840 spectrum 1 weight 0.10000E+01 volume 0.19348E-02 ppm1 8.609 ppm2 7.257 CV 1 ASSI { 841} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD% ) 5.000 3.200 1.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.30567E-03 ppm1 8.618 ppm2 7.117 CV 1 ASSI { 842} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 3.200 1.300 1.300 peak 842 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 7.831 ppm2 4.053 CV 1 ASSI { 843} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.200 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.13644E-02 ppm1 7.833 ppm2 2.879 CV 1 ASSI { 844} (( segid " " and resid 75 and name HN )) ( segid " " and resid 72 and name HD2%) 4.800 2.900 1.200 peak 844 spectrum 1 weight 0.10000E+01 volume 0.32142E-03 ppm1 8.613 ppm2 0.878 CV 1 ASSI { 845} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HB% ) 2.400 0.700 0.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.53255E-02 ppm1 7.832 ppm2 1.574 CV 1 ASSI { 846} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.500 1.500 1.500 peak 846 spectrum 1 weight 0.10000E+01 volume 0.91068E-03 ppm1 7.832 ppm2 4.476 CV 1 ASSI { 849} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HB3 )) 4.700 2.700 1.300 peak 849 spectrum 1 weight 0.10000E+01 volume 0.56721E-03 ppm1 8.613 ppm2 2.125 CV 1 ASSI { 850} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB3 )) 3.100 1.200 1.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.13172E-02 ppm1 7.831 ppm2 3.001 CV 1 ASSI { 851} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 3.000 1.100 1.100 peak 851 spectrum 1 weight 0.10000E+01 volume 0.15945E-02 ppm1 7.833 ppm2 4.306 CV 1 ASSI { 856} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HA1 )) 4.800 2.800 1.200 peak 856 spectrum 1 weight 0.10000E+01 volume 0.16701E-03 ppm1 7.831 ppm2 3.826 CV 1 ASSI { 857} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HN )) 3.700 1.700 1.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.90437E-03 ppm1 7.836 ppm2 8.598 CV 1 ASSI { 860} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG2 )) 2.300 0.700 0.700 peak 860 spectrum 1 weight 0.10000E+01 volume 0.94534E-02 ppm1 8.447 ppm2 2.313 CV 1 OR { 860} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG3 )) ASSI { 861} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.200 1.300 1.300 peak 861 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 8.546 ppm2 4.411 CV 1 ASSI { 863} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB2 )) 2.500 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.43801E-02 ppm1 8.548 ppm2 2.985 CV 1 OR { 863} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB3 )) ASSI { 864} (( segid " " and resid 48 and name HN )) ( segid " " and resid 43 and name HG2%) 3.100 1.200 1.200 peak 864 spectrum 1 weight 0.10000E+01 volume 0.18970E-02 ppm1 8.549 ppm2 1.087 CV 1 OR { 864} (( segid " " and resid 48 and name HN )) ( segid " " and resid 43 and name HG1%) ASSI { 866} (( segid " " and resid 48 and name HN )) (( segid " " and resid 44 and name HB2 )) 4.700 2.800 1.300 peak 866 spectrum 1 weight 0.10000E+01 volume 0.23193E-03 ppm1 8.555 ppm2 2.532 CV 1 ASSI { 867} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HD2 )) 3.200 1.300 1.300 peak 867 spectrum 1 weight 0.10000E+01 volume 0.16071E-02 ppm1 8.552 ppm2 3.718 CV 1 ASSI { 873} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 3.200 1.300 1.300 peak 873 spectrum 1 weight 0.10000E+01 volume 0.12384E-02 ppm1 6.915 ppm2 4.388 CV 1 ASSI { 874} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HN )) 2.800 1.000 1.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.28991E-02 ppm1 8.259 ppm2 8.453 CV 1 ASSI { 875} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.400 0.700 0.700 peak 875 spectrum 1 weight 0.10000E+01 volume 0.61133E-02 ppm1 8.259 ppm2 1.584 CV 1 OR { 875} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG )) ASSI { 879} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HD1%) 3.700 1.700 1.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.58612E-03 ppm1 8.260 ppm2 0.814 CV 1 ASSI { 880} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB3 )) 3.200 1.300 1.300 peak 880 spectrum 1 weight 0.10000E+01 volume 0.20294E-02 ppm1 8.259 ppm2 1.458 CV 1 ASSI { 882} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HB% ) 2.800 1.000 1.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.25619E-02 ppm1 6.914 ppm2 1.306 CV 1 ASSI { 886} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HD2%) 4.100 2.100 1.900 peak 886 spectrum 1 weight 0.10000E+01 volume 0.59242E-03 ppm1 8.258 ppm2 0.697 CV 1 ASSI { 889} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HN )) 3.100 1.200 1.200 peak 889 spectrum 1 weight 0.10000E+01 volume 0.18308E-02 ppm1 8.538 ppm2 9.753 CV 1 ASSI { 890} (( segid " " and resid 6 and name HN )) ( segid " " and resid 12 and name HD1%) 4.100 2.100 1.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.35924E-03 ppm1 8.260 ppm2 1.253 CV 1 ASSI { 891} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 3.200 1.300 1.300 peak 891 spectrum 1 weight 0.10000E+01 volume 0.14117E-02 ppm1 6.916 ppm2 4.241 CV 1 ASSI { 892} (( segid " " and resid 94 and name HN )) ( segid " " and resid 12 and name HD2%) 3.500 1.500 1.500 peak 892 spectrum 1 weight 0.10000E+01 volume 0.15283E-02 ppm1 8.438 ppm2 1.134 CV 1 ASSI { 894} (( segid " " and resid 65 and name HN )) (( segid " " and resid 67 and name HN )) 2.800 2.800 3.200 peak 894 spectrum 1 weight 0.10000E+01 volume 0.13361E-01 ppm1 6.900 ppm2 7.159 CV 1 ASSI { 895} (( segid " " and resid 94 and name HN )) (( segid " " and resid 95 and name HN )) 2.400 0.700 0.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.47898E-02 ppm1 8.435 ppm2 8.673 CV 1 ASSI { 896} (( segid " " and resid 94 and name HN )) ( segid " " and resid 94 and name HG2%) 3.300 1.400 1.400 peak 896 spectrum 1 weight 0.10000E+01 volume 0.28203E-02 ppm1 8.430 ppm2 0.984 CV 1 ASSI { 897} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 2.600 0.800 0.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.34033E-02 ppm1 8.432 ppm2 3.699 CV 1 ASSI { 899} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB )) 2.600 0.800 0.800 peak 899 spectrum 1 weight 0.10000E+01 volume 0.29211E-02 ppm1 8.430 ppm2 1.883 CV 1 ASSI { 900} (( segid " " and resid 94 and name HN )) (( segid " " and resid 91 and name HA )) 3.200 1.300 1.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.97059E-03 ppm1 8.434 ppm2 3.855 CV 1 ASSI { 901} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.800 1.000 1.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.26249E-02 ppm1 8.491 ppm2 4.483 CV 1 ASSI { 902} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG3 )) 3.500 1.500 1.500 peak 902 spectrum 1 weight 0.10000E+01 volume 0.18813E-02 ppm1 8.492 ppm2 1.493 CV 1 ASSI { 903} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HD3 )) 2.900 1.000 1.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.33718E-02 ppm1 8.491 ppm2 3.787 CV 1 ASSI { 905} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.300 0.700 0.700 peak 905 spectrum 1 weight 0.10000E+01 volume 0.63024E-02 ppm1 8.493 ppm2 2.002 CV 1 OR { 905} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB3 )) ASSI { 909} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HN )) 3.500 1.600 1.600 peak 909 spectrum 1 weight 0.10000E+01 volume 0.95165E-03 ppm1 8.520 ppm2 9.090 CV 1 ASSI { 911} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 2.300 0.700 0.700 peak 911 spectrum 1 weight 0.10000E+01 volume 0.86340E-02 ppm1 8.516 ppm2 4.094 CV 1 ASSI { 912} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA2 )) 3.100 1.200 1.200 peak 912 spectrum 1 weight 0.10000E+01 volume 0.15189E-02 ppm1 8.490 ppm2 4.030 CV 1 OR { 912} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA1 )) ASSI { 913} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.700 0.900 0.900 peak 913 spectrum 1 weight 0.10000E+01 volume 0.30157E-02 ppm1 8.518 ppm2 2.255 CV 1 ASSI { 914} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HN )) 2.900 1.100 1.100 peak 914 spectrum 1 weight 0.10000E+01 volume 0.17332E-02 ppm1 8.445 ppm2 9.320 CV 1 ASSI { 915} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 2.900 1.000 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.14432E-02 ppm1 8.520 ppm2 3.223 CV 1 ASSI { 916} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB3 )) 3.400 1.400 1.400 peak 916 spectrum 1 weight 0.10000E+01 volume 0.18623E-02 ppm1 8.517 ppm2 2.807 CV 1 ASSI { 917} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HG3 )) 3.700 1.700 1.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.45062E-03 ppm1 8.516 ppm2 2.472 CV 1 ASSI { 918} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 2.800 1.000 1.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.29274E-02 ppm1 8.447 ppm2 4.559 CV 1 ASSI { 920} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB3 )) 2.500 0.800 0.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.57352E-02 ppm1 8.447 ppm2 2.696 CV 1 OR { 920} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB2 )) ASSI { 921} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 3.300 1.400 1.400 peak 921 spectrum 1 weight 0.10000E+01 volume 0.86655E-03 ppm1 8.525 ppm2 4.725 CV 1 ASSI { 922} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 3.300 1.300 1.300 peak 922 spectrum 1 weight 0.10000E+01 volume 0.11502E-02 ppm1 7.938 ppm2 4.277 CV 1 ASSI { 923} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 2.900 1.100 1.100 peak 923 spectrum 1 weight 0.10000E+01 volume 0.19128E-02 ppm1 7.939 ppm2 4.357 CV 1 ASSI { 924} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 5.600 3.900 0.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.84137E-04 ppm1 7.941 ppm2 2.139 CV 1 ASSI { 925} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB3 )) 3.600 1.700 1.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.67433E-03 ppm1 7.940 ppm2 3.871 CV 1 OR { 925} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB2 )) ASSI { 926} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB2 )) 3.300 1.300 1.300 peak 926 spectrum 1 weight 0.10000E+01 volume 0.87602E-03 ppm1 6.712 ppm2 2.301 CV 1 ASSI { 927} (( segid " " and resid 51 and name HN )) ( segid " " and resid 43 and name HG2%) 3.400 1.400 1.400 peak 927 spectrum 1 weight 0.10000E+01 volume 0.91384E-03 ppm1 6.716 ppm2 1.092 CV 1 ASSI { 928} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 3.100 1.200 1.200 peak 928 spectrum 1 weight 0.10000E+01 volume 0.15220E-02 ppm1 6.712 ppm2 4.439 CV 1 ASSI { 929} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HB2 )) 3.500 1.500 1.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 6.713 ppm2 1.512 CV 1 ASSI { 930} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HG2 )) 2.600 0.900 0.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.22279E-02 ppm1 6.711 ppm2 2.136 CV 1 ASSI { 931} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) 4.300 2.300 1.700 peak 931 spectrum 1 weight 0.10000E+01 volume 0.28329E-03 ppm1 6.708 ppm2 3.976 CV 1 ASSI { 932} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HD2 )) 2.900 1.100 1.100 peak 932 spectrum 1 weight 0.10000E+01 volume 0.14810E-02 ppm1 6.714 ppm2 3.709 CV 1 ASSI { 933} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB3 )) 2.900 1.100 1.100 peak 933 spectrum 1 weight 0.10000E+01 volume 0.41281E-02 ppm1 6.713 ppm2 2.884 CV 1 ASSI { 934} (( segid " " and resid 32 and name HN )) (( segid " " and resid 34 and name HN )) 3.900 1.900 1.900 peak 934 spectrum 1 weight 0.10000E+01 volume 0.49473E-03 ppm1 8.799 ppm2 7.777 CV 1 ASSI { 935} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.29337E-02 ppm1 6.711 ppm2 4.224 CV 1 ASSI { 936} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB3 )) 3.500 1.500 1.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.17899E-02 ppm1 6.714 ppm2 1.933 CV 1 ASSI { 938} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 2.400 0.700 0.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.34663E-02 ppm1 6.713 ppm2 3.185 CV 1 ASSI { 939} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HN )) 3.500 3.500 2.500 peak 939 spectrum 1 weight 0.10000E+01 volume 0.32457E-03 ppm1 6.716 ppm2 8.578 CV 1 ASSI { 940} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HN )) 4.300 2.300 1.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.40335E-03 ppm1 6.707 ppm2 7.681 CV 1 ASSI { 941} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HN )) 3.000 3.000 3.000 peak 941 spectrum 1 weight 0.10000E+01 volume 0.25461E-02 ppm1 6.721 ppm2 8.099 CV 1 ASSI { 942} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HE% ) 4.800 2.900 1.200 peak 942 spectrum 1 weight 0.10000E+01 volume 0.39075E-03 ppm1 6.707 ppm2 7.031 CV 1 ASSI { 943} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HD3 )) 2.700 2.700 3.300 peak 943 spectrum 1 weight 0.10000E+01 volume 0.75943E-02 ppm1 6.711 ppm2 3.474 CV 1 ASSI { 945} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG2 )) 3.900 1.900 1.900 peak 945 spectrum 1 weight 0.10000E+01 volume 0.68696E-03 ppm1 7.809 ppm2 2.310 CV 1 OR { 945} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG3 )) ASSI { 947} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.900 1.100 1.100 peak 947 spectrum 1 weight 0.10000E+01 volume 0.16355E-02 ppm1 8.797 ppm2 4.361 CV 1 ASSI { 948} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.900 1.000 1.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.15945E-02 ppm1 8.796 ppm2 2.298 CV 1 ASSI { 949} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB3 )) 3.200 1.300 1.300 peak 949 spectrum 1 weight 0.10000E+01 volume 0.15220E-02 ppm1 8.797 ppm2 2.126 CV 1 ASSI { 950} (( segid " " and resid 74 and name HN )) (( segid " " and resid 70 and name HA )) 3.900 1.900 1.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.68696E-03 ppm1 7.809 ppm2 4.645 CV 1 ASSI { 951} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 3.100 1.200 1.200 peak 951 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 8.796 ppm2 3.919 CV 1 ASSI { 952} (( segid " " and resid 32 and name HN )) ( segid " " and resid 31 and name HG2%) 3.500 1.500 1.500 peak 952 spectrum 1 weight 0.10000E+01 volume 0.57982E-03 ppm1 8.795 ppm2 1.276 CV 1 ASSI { 954} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB )) 3.200 1.300 1.300 peak 954 spectrum 1 weight 0.10000E+01 volume 0.21270E-02 ppm1 8.797 ppm2 4.470 CV 1 ASSI { 955} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB3 )) 3.600 1.700 1.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 7.813 ppm2 3.220 CV 1 ASSI { 956} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG2 )) 3.500 1.500 1.500 peak 956 spectrum 1 weight 0.10000E+01 volume 0.14968E-02 ppm1 8.799 ppm2 2.456 CV 1 ASSI { 959} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HB% ) 2.300 0.600 0.600 peak 959 spectrum 1 weight 0.10000E+01 volume 0.93278E-02 ppm1 7.807 ppm2 1.576 CV 1 ASSI { 960} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.500 0.800 0.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.56721E-02 ppm1 7.799 ppm2 4.173 CV 1 ASSI { 961} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HN )) 3.900 1.900 1.900 peak 961 spectrum 1 weight 0.10000E+01 volume 0.68064E-03 ppm1 7.810 ppm2 9.087 CV 1 ASSI { 963} (( segid " " and resid 34 and name HN )) ( segid " " and resid 31 and name HG2%) 3.400 1.400 1.400 peak 963 spectrum 1 weight 0.10000E+01 volume 0.11250E-02 ppm1 7.781 ppm2 1.278 CV 1 ASSI { 965} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 2.300 0.600 0.600 peak 965 spectrum 1 weight 0.10000E+01 volume 0.61133E-02 ppm1 7.779 ppm2 8.378 CV 1 ASSI { 967} (( segid " " and resid 98 and name HN )) ( segid " " and resid 97 and name HE% ) 3.900 1.900 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 9.154 ppm2 7.220 CV 1 ASSI { 969} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.000 1.100 1.100 peak 969 spectrum 1 weight 0.10000E+01 volume 0.29747E-02 ppm1 9.154 ppm2 3.514 CV 1 ASSI { 970} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.500 0.800 0.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.31827E-02 ppm1 7.775 ppm2 1.730 CV 1 ASSI { 971} (( segid " " and resid 98 and name HN )) ( segid " " and resid 97 and name HD% ) 2.900 1.100 1.100 peak 971 spectrum 1 weight 0.10000E+01 volume 0.81934E-03 ppm1 9.152 ppm2 7.355 CV 1 ASSI { 979} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HG3 )) 2.900 1.100 1.100 peak 979 spectrum 1 weight 0.10000E+01 volume 0.43801E-02 ppm1 9.147 ppm2 0.555 CV 1 ASSI { 981} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HB3 )) 3.700 1.700 1.700 peak 981 spectrum 1 weight 0.10000E+01 volume 0.99894E-03 ppm1 9.154 ppm2 2.054 CV 1 OR { 981} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HB2 )) ASSI { 982} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HG2 )) 5.100 3.300 0.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.23193E-03 ppm1 9.151 ppm2 1.432 CV 1 ASSI { 983} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HA )) 3.300 1.400 1.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.82874E-03 ppm1 9.153 ppm2 4.034 CV 1 ASSI { 984} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HB2 )) 5.600 3.900 0.400 peak 984 spectrum 1 weight 0.10000E+01 volume 0.20955E-03 ppm1 9.152 ppm2 1.773 CV 1 ASSI { 985} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB2 )) 3.500 1.600 1.600 peak 985 spectrum 1 weight 0.10000E+01 volume 0.89181E-03 ppm1 8.413 ppm2 1.798 CV 1 ASSI { 986} (( segid " " and resid 104 and name HN )) ( segid " " and resid 103 and name HG2%) 3.200 1.300 1.300 peak 986 spectrum 1 weight 0.10000E+01 volume 0.24894E-02 ppm1 7.839 ppm2 1.226 CV 1 ASSI { 987} (( segid " " and resid 107 and name HN )) ( segid " " and resid 105 and name HG2%) 2.900 2.900 3.100 peak 987 spectrum 1 weight 0.10000E+01 volume 0.98315E-03 ppm1 8.432 ppm2 0.870 CV 1 OR { 987} (( segid " " and resid 107 and name HN )) ( segid " " and resid 105 and name HD1%) ASSI { 988} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HG3 )) 3.500 1.500 1.500 peak 988 spectrum 1 weight 0.10000E+01 volume 0.11124E-02 ppm1 8.414 ppm2 2.323 CV 1 OR { 988} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HG2 )) ASSI { 990} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB3 )) 3.400 1.500 1.500 peak 990 spectrum 1 weight 0.10000E+01 volume 0.15788E-02 ppm1 8.415 ppm2 1.969 CV 1 ASSI { 992} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.500 1.500 1.500 peak 992 spectrum 1 weight 0.10000E+01 volume 0.61763E-03 ppm1 8.415 ppm2 2.134 CV 1 ASSI { 993} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB3 )) 2.700 0.900 0.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.50419E-02 ppm1 7.838 ppm2 1.770 CV 1 ASSI { 994} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG2 )) 3.300 1.300 1.300 peak 994 spectrum 1 weight 0.10000E+01 volume 0.14653E-02 ppm1 7.837 ppm2 1.390 CV 1 OR { 994} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG3 )) ASSI { 997} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HG2 )) 2.700 0.900 0.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.26407E-02 ppm1 9.089 ppm2 2.729 CV 1 ASSI { 998} (( segid " " and resid 71 and name HN )) (( segid " " and resid 67 and name HB3 )) 4.600 2.700 1.400 peak 998 spectrum 1 weight 0.10000E+01 volume 0.31449E-03 ppm1 9.092 ppm2 1.583 CV 1 ASSI { 999} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.900 1.100 1.100 peak 999 spectrum 1 weight 0.10000E+01 volume 0.21207E-02 ppm1 9.090 ppm2 4.089 CV 1 ASSI { 1000} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.20262E-02 ppm1 9.089 ppm2 3.027 CV 1 ASSI { 1002} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.500 0.800 0.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.30220E-02 ppm1 9.089 ppm2 2.251 CV 1 ASSI { 1003} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HG3 )) 3.200 1.300 1.300 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.15346E-02 ppm1 9.088 ppm2 2.472 CV 1 ASSI { 1005} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB3 )) 3.100 1.200 1.200 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.15157E-02 ppm1 9.089 ppm2 2.873 CV 1 ASSI { 1006} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB3 )) 3.700 1.700 1.700 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.15472E-02 ppm1 9.089 ppm2 1.978 CV 1 ASSI { 1008} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 3.300 1.400 1.400 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.96112E-03 ppm1 9.090 ppm2 4.633 CV 1 ASSI { 1010} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HA )) 4.500 2.600 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.46323E-03 ppm1 9.088 ppm2 4.280 CV 1 ASSI { 1011} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HN )) 4.800 2.900 1.200 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.17426E-03 ppm1 7.875 ppm2 8.819 CV 1 ASSI { 1012} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 1.700 1.700 4.300 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.31449E-01 ppm1 7.873 ppm2 7.991 CV 1 ASSI { 1014} (( segid " " and resid 58 and name HN )) (( segid " " and resid 55 and name HA )) 3.400 1.500 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.15882E-02 ppm1 7.872 ppm2 4.203 CV 1 ASSI { 1015} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB )) 2.300 0.700 0.700 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.54515E-02 ppm1 7.872 ppm2 1.997 CV 1 ASSI { 1016} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HD1%) 2.800 1.000 1.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.16103E-02 ppm1 7.872 ppm2 0.779 CV 1 ASSI { 1017} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG13)) 2.800 1.000 1.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.17269E-02 ppm1 7.873 ppm2 1.120 CV 1 ASSI { 1020} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HG12)) 4.300 2.300 1.700 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.74371E-03 ppm1 8.190 ppm2 1.144 CV 1 ASSI { 1021} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HB3 )) 4.400 2.400 1.600 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.45062E-03 ppm1 7.873 ppm2 1.538 CV 1 ASSI { 1022} (( segid " " and resid 58 and name HN )) (( segid " " and resid 60 and name HN )) 3.900 1.900 1.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.61763E-03 ppm1 7.873 ppm2 8.295 CV 1 ASSI { 1026} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 2.500 0.800 0.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.45377E-02 ppm1 8.193 ppm2 8.400 CV 1 ASSI { 1028} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.700 0.900 0.900 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.45062E-02 ppm1 8.195 ppm2 4.079 CV 1 ASSI { 1029} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HG2%) 3.600 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.11943E-02 ppm1 8.194 ppm2 0.854 CV 1 OR { 1029} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HD1%) ASSI { 1030} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HG2 )) 3.300 1.400 1.400 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.13298E-02 ppm1 8.195 ppm2 1.646 CV 1 OR { 1030} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HG3 )) ASSI { 1031} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 3.000 1.100 1.100 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.18182E-02 ppm1 8.194 ppm2 4.357 CV 1 ASSI { 1032} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HG13)) 4.000 2.000 2.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.78152E-03 ppm1 8.194 ppm2 1.449 CV 1 ASSI { 1034} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.800 1.000 1.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.30976E-02 ppm1 8.568 ppm2 4.425 CV 1 ASSI { 1035} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HN )) 3.600 1.600 1.600 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.85399E-03 ppm1 7.751 ppm2 9.083 CV 1 ASSI { 1036} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HA )) 3.800 1.800 1.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.40335E-03 ppm1 7.746 ppm2 3.712 CV 1 ASSI { 1037} (( segid " " and resid 78 and name HN )) ( segid " " and resid 77 and name HG2%) 3.400 1.400 1.400 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.16670E-02 ppm1 7.751 ppm2 1.221 CV 1 ASSI { 1038} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) 2.700 0.900 0.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.33402E-02 ppm1 7.752 ppm2 4.075 CV 1 ASSI { 1039} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB )) 2.600 0.800 0.800 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.37499E-02 ppm1 7.751 ppm2 4.283 CV 1 ASSI { 1042} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HB% ) 2.300 0.700 0.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.76890E-02 ppm1 7.752 ppm2 1.495 CV 1 ASSI { 1043} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 3.400 1.500 1.500 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.10493E-02 ppm1 7.753 ppm2 3.851 CV 1 ASSI { 1044} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HA )) 3.200 1.300 1.300 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 7.749 ppm2 4.439 CV 1 ASSI { 1045} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) 1.600 1.600 4.400 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.54200E-01 ppm1 7.750 ppm2 7.869 CV 1 ASSI { 1047} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HG2 )) 3.400 1.500 1.500 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.20797E-02 ppm1 7.747 ppm2 1.893 CV 1 ASSI { 1048} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HG3 )) 4.000 2.000 2.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.29369E-03 ppm1 8.762 ppm2 1.301 CV 1 ASSI { 1050} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 2.800 1.000 1.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.30220E-02 ppm1 8.761 ppm2 2.039 CV 1 OR { 1050} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB3 )) ASSI { 1051} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 2.600 0.900 0.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.38129E-02 ppm1 8.761 ppm2 4.294 CV 1 ASSI { 1052} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG2 )) 3.500 1.600 1.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.51364E-03 ppm1 8.758 ppm2 2.424 CV 1 OR { 1052} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG3 )) ASSI { 1053} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB2 )) 2.800 1.000 1.000 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.92015E-03 ppm1 8.757 ppm2 1.738 CV 1 ASSI { 1054} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HD2 )) 3.600 1.700 1.700 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.17993E-02 ppm1 8.109 ppm2 4.112 CV 1 ASSI { 1055} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.000 1.100 1.100 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.10273E-02 ppm1 8.110 ppm2 3.213 CV 1 ASSI { 1056} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HA )) 3.500 1.500 1.500 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.11785E-02 ppm1 8.109 ppm2 4.784 CV 1 ASSI { 1058} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HG2%) 2.700 0.900 0.900 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.50104E-02 ppm1 8.110 ppm2 1.068 CV 1 OR { 1058} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HG1%) ASSI { 1061} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HG3 )) 3.500 1.500 1.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.42856E-03 ppm1 8.111 ppm2 2.210 CV 1 ASSI { 1062} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HD3 )) 4.000 2.000 2.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.78777E-03 ppm1 8.115 ppm2 3.762 CV 1 ASSI { 1063} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA )) 3.900 1.900 1.900 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.39705E-03 ppm1 8.098 ppm2 3.971 CV 1 ASSI { 1064} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HB3 )) 3.200 1.300 1.300 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.37184E-02 ppm1 8.111 ppm2 2.064 CV 1 ASSI { 1065} (( segid " " and resid 43 and name HN )) (( segid " " and resid 48 and name HB2 )) 3.900 3.900 2.100 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 8.106 ppm2 2.994 CV 1 OR { 1065} (( segid " " and resid 43 and name HN )) (( segid " " and resid 48 and name HB3 )) ASSI { 1066} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB3 )) 4.100 2.100 1.900 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.67749E-03 ppm1 8.117 ppm2 1.935 CV 1 ASSI { 1067} (( segid " " and resid 43 and name HN )) (( segid " " and resid 36 and name HA )) 4.500 2.500 1.500 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.25398E-03 ppm1 8.111 ppm2 2.785 CV 1 ASSI { 1069} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HD1%) 3.700 1.700 1.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 8.725 ppm2 1.189 CV 1 ASSI { 1070} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HA )) 3.600 1.600 1.600 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.99262E-03 ppm1 8.723 ppm2 4.633 CV 1 ASSI { 1071} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA1 )) 2.900 1.100 1.100 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.16544E-02 ppm1 8.725 ppm2 3.871 CV 1 ASSI { 1072} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HG )) 4.200 2.200 1.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.96744E-03 ppm1 8.723 ppm2 1.591 CV 1 ASSI { 1073} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.400 0.700 0.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.30094E-02 ppm1 8.723 ppm2 2.472 CV 1 ASSI { 1075} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.600 0.900 0.900 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.31039E-02 ppm1 8.724 ppm2 4.045 CV 1 ASSI { 1076} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB3 )) 3.200 1.300 1.300 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.31827E-02 ppm1 8.723 ppm2 1.998 CV 1 ASSI { 3} ( segid " " and resid 97 and name HD% ) ( segid " " and resid 16 and name HD2%) 3.100 1.200 1.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.63248E-03 ppm1 7.341 ppm2 0.643 CV 1 ASSI { 6} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 72 and name HD2%) 3.000 1.100 1.100 peak 6 spectrum 1 weight 0.10000E+01 volume 0.20370E-02 ppm1 7.140 ppm2 0.900 CV 1 ASSI { 9} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 15 and name HD2%) 2.800 1.000 1.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.18826E-02 ppm1 6.770 ppm2 0.939 CV 1 ASSI { 10} ( segid " " and resid 48 and name HD% ) ( segid " " and resid 52 and name HD1%) 1.900 0.400 0.400 peak 10 spectrum 1 weight 0.10000E+01 volume 0.21142E-01 ppm1 7.262 ppm2 0.950 CV 1 ASSI { 12} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 43 and name HG1%) 3.200 1.300 1.300 peak 12 spectrum 1 weight 0.10000E+01 volume 0.82249E-03 ppm1 6.989 ppm2 1.077 CV 1 ASSI { 13} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 43 and name HG1%) 2.900 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.23488E-02 ppm1 6.771 ppm2 1.079 CV 1 ASSI { 14} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 58 and name HG13)) 3.400 1.400 1.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.81954E-03 ppm1 7.110 ppm2 1.097 CV 1 ASSI { 15} ( segid " " and resid 51 and name HE% ) ( segid " " and resid 43 and name HG1%) 2.700 2.700 3.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.15025E-02 ppm1 7.047 ppm2 1.101 CV 1 OR { 15} ( segid " " and resid 51 and name HE% ) ( segid " " and resid 43 and name HG2%) ASSI { 16} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 15 and name HD1%) 3.300 1.400 1.400 peak 16 spectrum 1 weight 0.10000E+01 volume 0.71859E-03 ppm1 6.770 ppm2 1.188 CV 1 ASSI { 17} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 15 and name HD1%) 3.200 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.19182E-02 ppm1 6.996 ppm2 1.193 CV 1 ASSI { 18} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 72 and name HG )) 2.900 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.36523E-02 ppm1 7.051 ppm2 1.212 CV 1 ASSI { 21} (( segid " " and resid 98 and name HZ3 )) (( segid " " and resid 102 and name HB3 )) 2.600 2.600 3.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.42462E-02 ppm1 7.298 ppm2 1.273 CV 1 ASSI { 22} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 39 and name HB3 )) 3.300 1.400 1.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.12560E-02 ppm1 6.993 ppm2 1.340 CV 1 ASSI { 26} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 72 and name HB3 )) 3.000 1.100 1.100 peak 26 spectrum 1 weight 0.10000E+01 volume 0.30288E-02 ppm1 7.049 ppm2 1.455 CV 1 ASSI { 34} ( segid " " and resid 51 and name HD% ) (( segid " " and resid 55 and name HG3 )) 3.300 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.89973E-03 ppm1 6.885 ppm2 1.746 CV 1 ASSI { 35} (( segid " " and resid 98 and name HZ3 )) (( segid " " and resid 99 and name HB2 )) 2.200 2.200 3.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.17698E-01 ppm1 7.291 ppm2 1.755 CV 1 ASSI { 36} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 15 and name HB3 )) 3.100 3.100 2.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.29249E-02 ppm1 6.771 ppm2 2.033 CV 1 ASSI { 39} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 76 and name HB3 )) 3.600 1.600 1.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.17727E-02 ppm1 7.131 ppm2 2.105 CV 1 OR { 39} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 76 and name HG )) ASSI { 40} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 72 and name HB2 )) 2.400 0.700 0.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.31178E-02 ppm1 7.050 ppm2 2.154 CV 1 ASSI { 42} ( segid " " and resid 51 and name HE% ) (( segid " " and resid 51 and name HB3 )) 6.000 4.800 0.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.46916E-04 ppm1 7.048 ppm2 2.903 CV 1 ASSI { 45} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 60 and name HE3 )) 1.900 1.900 4.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.16510E-01 ppm1 7.111 ppm2 2.983 CV 1 OR { 45} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 60 and name HE2 )) ASSI { 47} ( segid " " and resid 24 and name HD% ) (( segid " " and resid 24 and name HB2 )) 2.800 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.24201E-02 ppm1 7.249 ppm2 3.167 CV 1 ASSI { 48} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 75 and name HB3 )) 2.800 1.000 1.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.16955E-02 ppm1 7.138 ppm2 3.185 CV 1 ASSI { 50} ( segid " " and resid 51 and name HE% ) (( segid " " and resid 51 and name HB2 )) 4.700 2.700 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.28922E-03 ppm1 7.038 ppm2 3.202 CV 1 ASSI { 51} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB2 )) 2.900 1.100 1.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.13006E-02 ppm1 6.985 ppm2 3.215 CV 1 ASSI { 53} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.23844E-02 ppm1 7.138 ppm2 3.315 CV 1 ASSI { 56} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HB2 )) 2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.35633E-02 ppm1 7.052 ppm2 3.420 CV 1 OR { 56} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HB3 )) ASSI { 58} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 28 and name HD3 )) 4.100 2.100 1.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.47510E-03 ppm1 7.192 ppm2 3.826 CV 1 ASSI { 62} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 29 and name HA2 )) 3.500 1.600 1.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.68890E-03 ppm1 7.205 ppm2 3.927 CV 1 OR { 62} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 29 and name HA1 )) ASSI { 63} (( segid " " and resid 75 and name HZ )) (( segid " " and resid 57 and name HA2 )) 2.800 1.000 1.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.14015E-02 ppm1 7.262 ppm2 3.983 CV 1 ASSI { 65} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 95 and name HA )) 2.800 1.000 1.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.19271E-02 ppm1 7.313 ppm2 4.221 CV 1 ASSI { 68} ( segid " " and resid 51 and name HE% ) (( segid " " and resid 51 and name HA )) 4.700 2.700 1.300 peak 68 spectrum 1 weight 0.10000E+01 volume 0.17876E-03 ppm1 7.052 ppm2 4.233 CV 1 ASSI { 69} ( segid " " and resid 51 and name HD% ) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.12382E-02 ppm1 6.887 ppm2 4.234 CV 1 ASSI { 70} ( segid " " and resid 97 and name HE% ) (( segid " " and resid 95 and name HA )) 4.200 2.200 1.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.14491E-03 ppm1 7.183 ppm2 4.244 CV 1 ASSI { 71} (( segid " " and resid 98 and name HE3 )) (( segid " " and resid 98 and name HA )) 3.600 1.600 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.96206E-03 ppm1 7.411 ppm2 4.360 CV 1 ASSI { 74} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 39 and name HA )) 4.500 2.600 1.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.31178E-03 ppm1 6.985 ppm2 4.475 CV 1 ASSI { 77} ( segid " " and resid 69 and name HD% ) (( segid " " and resid 69 and name HA )) 4.100 2.100 1.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.51668E-03 ppm1 7.364 ppm2 4.548 CV 1 ASSI { 78} (( segid " " and resid 98 and name HZ2 )) (( segid " " and resid 69 and name HA )) 3.100 3.100 2.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.56715E-03 ppm1 7.661 ppm2 4.559 CV 1 ASSI { 79} (( segid " " and resid 25 and name HD2 )) (( segid " " and resid 25 and name HA )) 3.600 1.700 1.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.68595E-03 ppm1 7.213 ppm2 4.673 CV 1 ASSI { 80} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HA )) 3.500 1.500 1.500 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10126E-02 ppm1 6.990 ppm2 4.778 CV 1 ASSI { 81} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 27 and name HA )) 3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.13451E-02 ppm1 7.193 ppm2 4.841 CV 1 ASSI { 83} ( segid " " and resid 27 and name HD% ) ( segid " " and resid 27 and name HE% ) 2.300 0.600 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.74237E-02 ppm1 7.194 ppm2 6.862 CV 1 ASSI { 84} ( segid " " and resid 51 and name HE% ) ( segid " " and resid 51 and name HD% ) 2.200 0.600 0.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.91458E-02 ppm1 7.045 ppm2 6.892 CV 1 ASSI { 85} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 40 and name HD% ) 2.300 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.52855E-02 ppm1 6.771 ppm2 6.981 CV 1 ASSI { 86} ( segid " " and resid 24 and name HD% ) ( segid " " and resid 24 and name HE% ) 1.900 0.500 0.500 peak 86 spectrum 1 weight 0.10000E+01 volume 0.19657E-01 ppm1 7.286 ppm2 7.048 CV 1 ASSI { 90} (( segid " " and resid 98 and name HZ3 )) (( segid " " and resid 98 and name HZ2 )) 3.300 1.300 1.300 peak 90 spectrum 1 weight 0.10000E+01 volume 0.26813E-02 ppm1 7.317 ppm2 7.660 CV 1 ASSI { 9} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HA )) 3.100 1.200 1.200 peak 9 spectrum 1 weight 0.10000E+01 volume 0.48274E-02 ppm1 0.783 ppm2 3.887 CV 1 OR { 9} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 57 and name HA1 )) ASSI { 27} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 76 and name HA )) 3.900 1.900 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.99074E-03 ppm1 0.686 ppm2 3.719 CV 1 OR { 27} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 94 and name HA )) ASSI { 43} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 43 spectrum 1 weight 0.10000E+01 volume 0.24794E-02 ppm1 0.563 ppm2 3.907 CV 1 OR { 43} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 58 and name HA )) ASSI { 45} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 59 and name HB2 )) 3.100 3.100 2.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 0.565 ppm2 1.739 CV 1 OR { 45} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 59 and name HG )) OR { 45} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 99 and name HB3 )) OR { 45} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 96 and name HD3 )) ASSI { 47} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HB )) 2.400 0.700 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.53075E-02 ppm1 0.564 ppm2 1.238 CV 1 OR { 47} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 16 and name HB3 )) ASSI { 51} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 72 and name HD2%) 3.400 1.400 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.19840E-02 ppm1 -0.505 ppm2 0.904 CV 1 OR { 51} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 59 and name HD2%) ASSI { 57} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 82 and name HE2 )) 3.300 1.400 1.400 peak 57 spectrum 1 weight 0.10000E+01 volume 0.14103E-02 ppm1 1.505 ppm2 2.917 CV 1 OR { 57} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 82 and name HE3 )) OR { 57} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 81 and name HE3 )) ASSI { 62} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 77 and name HB )) 3.400 1.500 1.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.16175E-02 ppm1 1.504 ppm2 4.302 CV 1 OR { 62} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 82 and name HA )) ASSI { 74} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 55 and name HA )) 3.800 1.800 1.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.12991E-02 ppm1 0.979 ppm2 4.232 CV 1 OR { 74} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 95 and name HA )) ASSI { 75} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 62 and name HG13)) 2.500 0.800 0.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.77844E-02 ppm1 0.980 ppm2 0.801 CV 1 OR { 75} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 58 and name HD1%) ASSI { 82} ( segid " " and resid 74 and name HB% ) (( segid " " and resid 71 and name HA )) 3.100 1.200 1.200 peak 82 spectrum 1 weight 0.10000E+01 volume 0.23429E-02 ppm1 1.582 ppm2 4.103 CV 1 OR { 82} ( segid " " and resid 74 and name HB% ) (( segid " " and resid 73 and name HA )) ASSI { 90} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 76 and name HA )) 4.100 2.100 1.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.98570E-03 ppm1 1.475 ppm2 3.720 CV 1 OR { 90} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 94 and name HA )) ASSI { 98} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 95 and name HB3 )) 3.500 1.500 1.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.12081E-02 ppm1 1.642 ppm2 4.046 CV 1 OR { 98} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 88 and name HB3 )) OR { 98} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 95 and name HB2 )) ASSI { 100} ( segid " " and resid 86 and name HG2%) (( segid " " and resid 54 and name HG2 )) 3.300 1.300 1.300 peak 100 spectrum 1 weight 0.10000E+01 volume 0.21458E-02 ppm1 0.763 ppm2 1.487 CV 1 OR { 100} ( segid " " and resid 86 and name HG2%) ( segid " " and resid 91 and name HB% ) ASSI { 109} ( segid " " and resid 86 and name HG2%) ( segid " " and resid 12 and name HD1%) 3.200 1.300 1.300 peak 109 spectrum 1 weight 0.10000E+01 volume 0.16833E-02 ppm1 0.761 ppm2 1.275 CV 1 OR { 109} ( segid " " and resid 86 and name HG2%) ( segid " " and resid 87 and name HG2%) ASSI { 112} ( segid " " and resid 20 and name HB% ) ( segid " " and resid 30 and name HD1%) 2.600 0.800 0.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.67232E-02 ppm1 1.693 ppm2 0.872 CV 1 OR { 112} ( segid " " and resid 20 and name HB% ) ( segid " " and resid 59 and name HD2%) ASSI { 117} ( segid " " and resid 63 and name HB% ) (( segid " " and resid 60 and name HA )) 3.100 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.28054E-02 ppm1 1.437 ppm2 3.984 CV 1 OR { 117} ( segid " " and resid 63 and name HB% ) (( segid " " and resid 64 and name HB2 )) OR { 117} ( segid " " and resid 63 and name HB% ) (( segid " " and resid 64 and name HB3 )) OR { 117} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 4 and name HA1 )) ASSI { 120} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 15 and name HA )) 2.500 0.800 0.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.46504E-02 ppm1 1.586 ppm2 4.070 CV 1 OR { 120} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HA )) ASSI { 122} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 30 and name HD1%) 2.900 1.100 1.100 peak 122 spectrum 1 weight 0.10000E+01 volume 0.53075E-02 ppm1 1.585 ppm2 0.902 CV 1 OR { 122} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 15 and name HD2%) OR { 122} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 35 and name HD2%) ASSI { 124} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 35 and name HD1%) 2.900 1.100 1.100 peak 124 spectrum 1 weight 0.10000E+01 volume 0.35384E-02 ppm1 1.586 ppm2 0.837 CV 1 OR { 124} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 30 and name HD1%) ASSI { 133} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 95 and name HA )) 3.700 1.700 1.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.83149E-03 ppm1 0.952 ppm2 4.245 CV 1 OR { 133} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 55 and name HA )) ASSI { 148} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 95 and name HB2 )) 3.100 1.200 1.200 peak 148 spectrum 1 weight 0.10000E+01 volume 0.30834E-02 ppm1 1.192 ppm2 4.016 CV 1 OR { 148} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 88 and name HB2 )) OR { 148} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 88 and name HB3 )) OR { 148} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 85 and name HA1 )) OR { 148} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 95 and name HB3 )) ASSI { 152} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 47 and name HB2 )) 3.200 1.200 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.31845E-02 ppm1 1.100 ppm2 2.112 CV 1 OR { 152} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 44 and name HG2 )) OR { 152} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 40 and name HB3 )) OR { 152} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 44 and name HG3 )) ASSI { 158} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 47 and name HB3 )) 3.100 1.200 1.200 peak 158 spectrum 1 weight 0.10000E+01 volume 0.28307E-02 ppm1 1.099 ppm2 1.989 CV 1 OR { 158} ( segid " " and resid 43 and name HG1%) (( segid " " and resid 44 and name HB3 )) ASSI { 159} ( segid " " and resid 77 and name HG2%) (( segid " " and resid 77 and name HB )) 1.800 0.400 0.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.31087E-01 ppm1 1.193 ppm2 4.303 CV 1 OR { 159} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 80 and name HB )) ASSI { 163} ( segid " " and resid 43 and name HG1%) ( segid " " and resid 6 and name HD1%) 4.300 2.300 1.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.32604E-03 ppm1 1.103 ppm2 0.802 CV 1 OR { 163} ( segid " " and resid 43 and name HG1%) ( segid " " and resid 35 and name HD1%) ASSI { 166} ( segid " " and resid 77 and name HG2%) (( segid " " and resid 77 and name HA )) 2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.58888E-02 ppm1 1.230 ppm2 3.870 CV 1 OR { 166} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 99 and name HA )) ASSI { 170} ( segid " " and resid 16 and name HD1%) ( segid " " and resid 59 and name HD1%) 2.800 1.000 1.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.60911E-02 ppm1 0.547 ppm2 0.881 CV 1 OR { 170} ( segid " " and resid 16 and name HD1%) ( segid " " and resid 52 and name HD2%) OR { 170} ( segid " " and resid 16 and name HD1%) ( segid " " and resid 59 and name HD2%) ASSI { 172} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 58 and name HB )) 2.600 0.800 0.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.26538E-02 ppm1 0.546 ppm2 1.983 CV 1 OR { 172} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 15 and name HB3 )) ASSI { 184} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 12 and name HB3 )) 2.200 0.600 0.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.61922E-02 ppm1 1.026 ppm2 2.017 CV 1 OR { 184} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 94 and name HG13)) OR { 184} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 12 and name HB2 )) ASSI { 185} ( segid " " and resid 93 and name HG1%) ( segid " " and resid 15 and name HD1%) 1.800 1.800 4.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.17287E-01 ppm1 1.030 ppm2 1.220 CV 1 OR { 185} ( segid " " and resid 93 and name HG1%) ( segid " " and resid 80 and name HG2%) OR { 185} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 16 and name HB3 )) ASSI { 190} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 89 and name HB2 )) 3.400 1.500 1.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.19107E-02 ppm1 1.313 ppm2 2.686 CV 1 OR { 190} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 90 and name HG2 )) OR { 190} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 89 and name HB3 )) ASSI { 193} ( segid " " and resid 31 and name HG2%) (( segid " " and resid 32 and name HB2 )) 3.300 1.300 1.300 peak 193 spectrum 1 weight 0.10000E+01 volume 0.32098E-02 ppm1 1.311 ppm2 2.311 CV 1 OR { 193} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 86 and name HB )) ASSI { 196} ( segid " " and resid 31 and name HG2%) ( segid " " and resid 34 and name HD1%) 3.600 1.600 1.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.13572E-02 ppm1 1.281 ppm2 0.904 CV 1 OR { 196} ( segid " " and resid 31 and name HG2%) ( segid " " and resid 34 and name HD2%) OR { 196} ( segid " " and resid 31 and name HG2%) ( segid " " and resid 35 and name HD2%) ASSI { 200} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 94 and name HB )) 2.100 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.15771E-01 ppm1 0.813 ppm2 1.897 CV 1 OR { 200} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 79 and name HG2 )) ASSI { 205} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HA )) 2.900 1.000 1.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.68494E-02 ppm1 0.776 ppm2 4.106 CV 1 OR { 205} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 15 and name HA )) ASSI { 208} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 47 and name HB2 )) 2.900 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.39175E-02 ppm1 1.075 ppm2 2.098 CV 1 OR { 208} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 44 and name HG2 )) OR { 208} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 44 and name HG3 )) ASSI { 209} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 36 and name HB2 )) 3.000 1.100 1.100 peak 209 spectrum 1 weight 0.10000E+01 volume 0.20750E-02 ppm1 1.075 ppm2 1.576 CV 1 OR { 209} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 6 and name HG )) ASSI { 211} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 40 and name HB2 )) 2.900 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.26285E-02 ppm1 1.074 ppm2 3.227 CV 1 OR { 211} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 51 and name HB2 )) ASSI { 226} ( segid " " and resid 12 and name HD1%) ( segid " " and resid 16 and name HD1%) 3.600 1.700 1.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 1.275 ppm2 0.551 CV 1 OR { 226} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 99 and name HG3 )) ASSI { 227} ( segid " " and resid 12 and name HD1%) ( segid " " and resid 16 and name HD2%) 3.500 1.500 1.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.12283E-02 ppm1 1.275 ppm2 0.639 CV 1 OR { 227} ( segid " " and resid 93 and name HG2%) ( segid " " and resid 16 and name HD2%) ASSI { 230} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 55 and name HG3 )) 2.400 0.700 0.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.83660E-02 ppm1 1.275 ppm2 1.750 CV 1 OR { 230} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 96 and name HD2 )) OR { 230} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 96 and name HD3 )) ASSI { 231} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 12 and name HB2 )) 2.300 0.700 0.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.99074E-02 ppm1 1.275 ppm2 2.015 CV 1 OR { 231} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 12 and name HB3 )) OR { 231} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 12 and name HB3 )) ASSI { 243} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 51 and name HB2 )) 4.000 2.000 2.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.62427E-03 ppm1 0.672 ppm2 3.194 CV 1 OR { 243} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 40 and name HB2 )) ASSI { 246} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 40 and name HB3 )) 3.200 1.300 1.300 peak 246 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 0.674 ppm2 2.106 CV 1 OR { 246} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 39 and name HB2 )) ASSI { 251} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 43 and name HB )) 3.300 1.400 1.400 peak 251 spectrum 1 weight 0.10000E+01 volume 0.14078E-02 ppm1 0.674 ppm2 2.313 CV 1 OR { 251} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 7 and name HG2 )) OR { 251} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 42 and name HG2 )) OR { 251} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 7 and name HG3 )) ASSI { 254} ( segid " " and resid 6 and name HD2%) ( segid " " and resid 19 and name HD2%) 3.200 3.200 2.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.17464E-02 ppm1 0.674 ppm2 0.571 CV 1 OR { 254} ( segid " " and resid 6 and name HD2%) ( segid " " and resid 16 and name HD1%) ASSI { 257} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 85 and name HA2 )) 3.300 1.300 1.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.10160E-02 ppm1 1.459 ppm2 4.305 CV 1 OR { 257} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HA )) ASSI { 261} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 85 and name HA2 )) 2.600 0.900 0.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.25780E-02 ppm1 1.302 ppm2 4.310 CV 1 OR { 261} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 82 and name HA )) ASSI { 280} (( segid " " and resid 102 and name HG2 )) (( segid " " and resid 102 and name HD3 )) 2.100 0.600 0.600 peak 280 spectrum 1 weight 0.10000E+01 volume 0.13421E-01 ppm1 0.890 ppm2 1.456 CV 1 OR { 280} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 72 and name HB3 )) OR { 280} (( segid " " and resid 102 and name HG2 )) (( segid " " and resid 102 and name HD2 )) ASSI { 283} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 75 and name HB3 )) 2.800 1.000 1.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.35637E-02 ppm1 0.898 ppm2 3.205 CV 1 OR { 283} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 62 and name HA )) ASSI { 300} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 60 and name HE2 )) 3.400 3.400 2.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.58888E-03 ppm1 0.910 ppm2 2.947 CV 1 OR { 300} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 60 and name HE3 )) OR { 300} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 27 and name HB3 )) ASSI { 308} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 57 and name HA1 )) 6.000 5.800 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.19663E-04 ppm1 1.409 ppm2 3.896 CV 1 OR { 308} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 57 and name HA1 )) OR { 308} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 58 and name HA )) ASSI { 311} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 60 and name HD2 )) 1.800 0.400 0.400 peak 311 spectrum 1 weight 0.10000E+01 volume 0.39175E-01 ppm1 1.412 ppm2 1.645 CV 1 OR { 311} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 104 and name HD3 )) OR { 311} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HD3 )) OR { 311} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HD2 )) OR { 311} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HD3 )) OR { 311} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 104 and name HD2 )) OR { 311} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HD2 )) ASSI { 312} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HE2 )) 2.800 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.37658E-02 ppm1 1.400 ppm2 2.952 CV 1 OR { 312} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 60 and name HE2 )) OR { 312} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HE3 )) OR { 312} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HE3 )) OR { 312} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 104 and name HE3 )) OR { 312} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 104 and name HE2 )) OR { 312} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 60 and name HE3 )) ASSI { 317} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 60 and name HA )) 3.100 1.200 1.200 peak 317 spectrum 1 weight 0.10000E+01 volume 0.24617E-02 ppm1 1.403 ppm2 4.012 CV 1 OR { 317} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HA )) OR { 317} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 61 and name HA )) ASSI { 327} (( segid " " and resid 96 and name HG3 )) (( segid " " and resid 94 and name HG13)) 2.300 2.300 3.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.71523E-02 ppm1 1.539 ppm2 1.944 CV 1 OR { 327} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 79 and name HG2 )) ASSI { 328} (( segid " " and resid 96 and name HG3 )) (( segid " " and resid 96 and name HA )) 2.300 0.700 0.700 peak 328 spectrum 1 weight 0.10000E+01 volume 0.11020E-01 ppm1 1.534 ppm2 4.020 CV 1 OR { 328} (( segid " " and resid 96 and name HG3 )) (( segid " " and resid 95 and name HB3 )) ASSI { 329} (( segid " " and resid 96 and name HG3 )) (( segid " " and resid 96 and name HG2 )) 1.600 0.300 0.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.33362E-01 ppm1 1.551 ppm2 1.679 CV 1 OR { 329} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 81 and name HD3 )) ASSI { 334} (( segid " " and resid 96 and name HG2 )) (( segid " " and resid 96 and name HA )) 2.900 1.000 1.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.17793E-02 ppm1 1.674 ppm2 4.028 CV 1 OR { 334} (( segid " " and resid 96 and name HG2 )) (( segid " " and resid 95 and name HB3 )) ASSI { 344} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HB3 )) 2.500 0.800 0.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.43471E-02 ppm1 1.676 ppm2 2.045 CV 1 OR { 344} (( segid " " and resid 96 and name HG2 )) (( segid " " and resid 96 and name HB3 )) OR { 344} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HB2 )) OR { 344} (( segid " " and resid 96 and name HG2 )) (( segid " " and resid 96 and name HB2 )) ASSI { 346} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 59 and name HB3 )) 3.500 1.600 1.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.13243E-02 ppm1 0.602 ppm2 1.598 CV 1 OR { 346} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 15 and name HG )) OR { 346} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 18 and name HB% ) ASSI { 363} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 19 and name HD2%) 2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 0.879 ppm2 0.612 CV 1 OR { 363} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB3 )) ASSI { 369} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HA )) 3.600 1.600 1.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.90732E-03 ppm1 0.525 ppm2 3.864 CV 1 OR { 369} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 100 and name HB3 )) ASSI { 375} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HA )) 3.900 1.900 1.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.13522E-02 ppm1 1.474 ppm2 3.861 CV 1 OR { 375} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 100 and name HB3 )) ASSI { 377} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 53 and name HA )) 6.000 6.000 0.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.30329E-05 ppm1 0.883 ppm2 3.936 CV 1 OR { 377} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 59 and name HA )) ASSI { 382} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 55 and name HG3 )) 3.700 1.700 1.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.15872E-02 ppm1 1.194 ppm2 1.757 CV 1 OR { 382} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 59 and name HB2 )) OR { 382} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 59 and name HG )) ASSI { 383} (( segid " " and resid 96 and name HG3 )) ( segid " " and resid 76 and name HD1%) 3.700 3.700 2.300 peak 383 spectrum 1 weight 0.10000E+01 volume 0.30076E-03 ppm1 1.562 ppm2 0.803 CV 1 OR { 383} (( segid " " and resid 96 and name HG3 )) ( segid " " and resid 94 and name HD1%) OR { 383} (( segid " " and resid 96 and name HG3 )) ( segid " " and resid 105 and name HD1%) ASSI { 390} ( segid " " and resid 39 and name HD1%) ( segid " " and resid 18 and name HB% ) 2.500 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.40944E-02 ppm1 0.990 ppm2 1.615 CV 1 OR { 390} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 39 and name HG )) ASSI { 391} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 39 and name HB2 )) 1.400 0.200 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.12738E+00 ppm1 0.995 ppm2 2.102 CV 1 OR { 391} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 38 and name HB3 )) ASSI { 394} (( segid " " and resid 16 and name HG )) ( segid " " and resid 16 and name HD1%) 2.700 0.900 0.900 peak 394 spectrum 1 weight 0.10000E+01 volume 0.22924E-02 ppm1 1.866 ppm2 0.552 CV 1 OR { 394} (( segid " " and resid 16 and name HG )) ( segid " " and resid 62 and name HD1%) ASSI { 396} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 53 and name HA )) 2.400 2.400 3.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.15367E-01 ppm1 0.936 ppm2 3.932 CV 1 OR { 396} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 59 and name HA )) ASSI { 402} ( segid " " and resid 15 and name HD2%) ( segid " " and resid 12 and name HD1%) 2.400 0.700 0.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.11348E-01 ppm1 0.933 ppm2 1.280 CV 1 OR { 402} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 19 and name HB3 )) OR { 402} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 55 and name HB3 )) ASSI { 403} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 48 and name HA )) 3.200 1.300 1.300 peak 403 spectrum 1 weight 0.10000E+01 volume 0.14710E-02 ppm1 0.937 ppm2 4.217 CV 1 OR { 403} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 55 and name HA )) OR { 403} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 51 and name HA )) OR { 403} ( segid " " and resid 15 and name HD2%) (( segid " " and resid 48 and name HA )) ASSI { 405} ( segid " " and resid 76 and name HD2%) ( segid " " and resid 91 and name HB% ) 3.000 1.100 1.100 peak 405 spectrum 1 weight 0.10000E+01 volume 0.48526E-02 ppm1 1.028 ppm2 1.477 CV 1 OR { 405} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 72 and name HB3 )) ASSI { 406} ( segid " " and resid 76 and name HD2%) ( segid " " and resid 72 and name HD1%) 3.300 1.400 1.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.22722E-02 ppm1 1.025 ppm2 1.685 CV 1 OR { 406} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 12 and name HG )) OR { 406} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 96 and name HG2 )) ASSI { 408} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 56 and name HB3 )) 2.700 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.45493E-02 ppm1 0.934 ppm2 1.753 CV 1 OR { 408} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 56 and name HB2 )) OR { 408} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 59 and name HB2 )) OR { 408} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 59 and name HG )) ASSI { 409} ( segid " " and resid 15 and name HD2%) (( segid " " and resid 15 and name HG )) 2.100 0.600 0.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.11070E-01 ppm1 0.935 ppm2 1.582 CV 1 OR { 409} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB2 )) ASSI { 411} ( segid " " and resid 76 and name HD2%) ( segid " " and resid 76 and name HD1%) 2.600 0.900 0.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.36394E-02 ppm1 1.026 ppm2 0.818 CV 1 OR { 411} ( segid " " and resid 76 and name HD2%) ( segid " " and resid 94 and name HD1%) ASSI { 413} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB3 )) 2.900 1.000 1.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.21053E-02 ppm1 0.937 ppm2 0.615 CV 1 OR { 413} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 19 and name HD2%) ASSI { 419} (( segid " " and resid 19 and name HG )) (( segid " " and resid 19 and name HA )) 2.900 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 1.920 ppm2 4.103 CV 1 OR { 419} (( segid " " and resid 19 and name HG )) (( segid " " and resid 15 and name HA )) ASSI { 421} (( segid " " and resid 35 and name HG )) (( segid " " and resid 34 and name HB3 )) 3.300 1.400 1.400 peak 421 spectrum 1 weight 0.10000E+01 volume 0.20750E-02 ppm1 1.893 ppm2 1.675 CV 1 OR { 421} (( segid " " and resid 16 and name HG )) ( segid " " and resid 72 and name HD1%) OR { 421} (( segid " " and resid 16 and name HG )) (( segid " " and resid 12 and name HG )) ASSI { 427} (( segid " " and resid 19 and name HG )) ( segid " " and resid 18 and name HB% ) 4.500 2.500 1.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.25274E-03 ppm1 1.916 ppm2 1.590 CV 1 OR { 427} (( segid " " and resid 35 and name HG )) ( segid " " and resid 18 and name HB% ) OR { 427} (( segid " " and resid 19 and name HG )) (( segid " " and resid 15 and name HG )) ASSI { 429} (( segid " " and resid 35 and name HG )) ( segid " " and resid 35 and name HD2%) 2.100 0.600 0.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.12384E-01 ppm1 1.904 ppm2 0.902 CV 1 OR { 429} (( segid " " and resid 19 and name HG )) ( segid " " and resid 52 and name HD2%) ASSI { 443} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 9 and name HA1 )) 3.600 1.600 1.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.11424E-02 ppm1 1.137 ppm2 4.034 CV 1 OR { 443} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 9 and name HA2 )) OR { 443} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 13 and name HB3 )) OR { 443} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 13 and name HB2 )) ASSI { 458} (( segid " " and resid 76 and name HG )) (( segid " " and resid 58 and name HG13)) 3.700 3.700 2.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.14330E-02 ppm1 2.102 ppm2 1.139 CV 1 OR { 458} (( segid " " and resid 76 and name HG )) ( segid " " and resid 12 and name HD2%) ASSI { 467} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HB3 )) 2.900 1.000 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.30834E-02 ppm1 1.390 ppm2 0.631 CV 1 OR { 467} (( segid " " and resid 52 and name HG )) ( segid " " and resid 19 and name HD2%) ASSI { 468} (( segid " " and resid 15 and name HG )) ( segid " " and resid 15 and name HD2%) 2.200 0.600 0.600 peak 468 spectrum 1 weight 0.10000E+01 volume 0.89470E-02 ppm1 1.618 ppm2 0.966 CV 1 OR { 468} (( segid " " and resid 39 and name HG )) ( segid " " and resid 39 and name HD1%) OR { 468} (( segid " " and resid 39 and name HG )) ( segid " " and resid 39 and name HD2%) ASSI { 476} (( segid " " and resid 15 and name HG )) ( segid " " and resid 19 and name HD2%) 4.300 2.300 1.700 peak 476 spectrum 1 weight 0.10000E+01 volume 0.56614E-03 ppm1 1.606 ppm2 0.607 CV 1 OR { 476} (( segid " " and resid 15 and name HG )) ( segid " " and resid 16 and name HD2%) ASSI { 478} (( segid " " and resid 34 and name HG )) (( segid " " and resid 34 and name HA )) 3.000 1.100 1.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.26032E-02 ppm1 1.577 ppm2 4.107 CV 1 OR { 478} (( segid " " and resid 15 and name HG )) (( segid " " and resid 15 and name HA )) ASSI { 481} (( segid " " and resid 15 and name HG )) ( segid " " and resid 15 and name HD2%) 2.500 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.45241E-02 ppm1 1.574 ppm2 0.912 CV 1 OR { 481} (( segid " " and resid 34 and name HG )) ( segid " " and resid 34 and name HD1%) OR { 481} (( segid " " and resid 34 and name HG )) ( segid " " and resid 34 and name HD2%) ASSI { 483} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HG3 )) 1.600 0.300 0.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.35384E-01 ppm1 1.647 ppm2 1.911 CV 1 OR { 483} (( segid " " and resid 106 and name HG2 )) (( segid " " and resid 106 and name HB3 )) OR { 483} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HB3 )) ASSI { 487} (( segid " " and resid 15 and name HG )) (( segid " " and resid 15 and name HB2 )) 2.600 0.800 0.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.37658E-02 ppm1 1.608 ppm2 2.491 CV 1 OR { 487} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 90 and name HG3 )) ASSI { 506} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HB2 )) 2.200 0.600 0.600 peak 506 spectrum 1 weight 0.10000E+01 volume 0.90732E-02 ppm1 1.646 ppm2 2.084 CV 1 OR { 506} (( segid " " and resid 39 and name HG )) (( segid " " and resid 39 and name HB2 )) ASSI { 510} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 50 and name HD2 )) 3.400 1.500 1.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.20623E-02 ppm1 1.639 ppm2 3.726 CV 1 OR { 510} (( segid " " and resid 12 and name HG )) (( segid " " and resid 94 and name HA )) ASSI { 511} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 82 and name HG2 )) 4.300 2.300 1.700 peak 511 spectrum 1 weight 0.10000E+01 volume 0.50043E-03 ppm1 1.842 ppm2 1.464 CV 1 OR { 511} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 91 and name HB% ) ASSI { 514} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HA )) 2.900 1.100 1.100 peak 514 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 1.645 ppm2 3.997 CV 1 OR { 514} (( segid " " and resid 39 and name HG )) (( segid " " and resid 14 and name HA2 )) ASSI { 523} (( segid " " and resid 72 and name HG )) (( segid " " and resid 98 and name HB2 )) 2.700 2.700 3.300 peak 523 spectrum 1 weight 0.10000E+01 volume 0.66471E-02 ppm1 1.214 ppm2 3.434 CV 1 OR { 523} (( segid " " and resid 72 and name HG )) (( segid " " and resid 98 and name HB3 )) OR { 523} (( segid " " and resid 72 and name HG )) (( segid " " and resid 97 and name HB3 )) ASSI { 524} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HA )) 2.700 0.900 0.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.38164E-02 ppm1 1.929 ppm2 3.999 CV 1 OR { 524} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 49 and name HA )) OR { 524} (( segid " " and resid 41 and name HG3 )) (( segid " " and resid 41 and name HA )) ASSI { 535} (( segid " " and resid 30 and name HG13)) ( segid " " and resid 30 and name HD1%) 2.200 0.600 0.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.11474E-01 ppm1 1.211 ppm2 0.883 CV 1 OR { 535} (( segid " " and resid 72 and name HG )) ( segid " " and resid 72 and name HD2%) OR { 535} (( segid " " and resid 30 and name HG13)) ( segid " " and resid 30 and name HG2%) ASSI { 543} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 45 and name HG2 )) 1.700 0.300 0.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.21938E-01 ppm1 2.092 ppm2 2.313 CV 1 OR { 543} (( segid " " and resid 50 and name HG3 )) (( segid " " and resid 50 and name HB2 )) ASSI { 545} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 58 and name HD1%) 3.400 1.400 1.400 peak 545 spectrum 1 weight 0.10000E+01 volume 0.19689E-02 ppm1 1.837 ppm2 0.801 CV 1 OR { 545} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 76 and name HD1%) OR { 545} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 94 and name HD1%) ASSI { 547} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 7 and name HG3 )) 3.000 1.100 1.100 peak 547 spectrum 1 weight 0.10000E+01 volume 0.23025E-02 ppm1 1.930 ppm2 2.298 CV 1 OR { 547} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 7 and name HG2 )) OR { 547} (( segid " " and resid 41 and name HG2 )) (( segid " " and resid 42 and name HG2 )) OR { 547} (( segid " " and resid 41 and name HG3 )) (( segid " " and resid 42 and name HG2 )) ASSI { 549} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 46 and name HA )) 6.000 6.000 0.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.52064E-05 ppm1 1.931 ppm2 4.189 CV 1 OR { 549} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 48 and name HA )) OR { 549} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 48 and name HA )) ASSI { 551} (( segid " " and resid 50 and name HG3 )) (( segid " " and resid 50 and name HD2 )) 3.200 1.300 1.300 peak 551 spectrum 1 weight 0.10000E+01 volume 0.13421E-02 ppm1 2.095 ppm2 3.720 CV 1 OR { 551} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 36 and name HD2 )) OR { 551} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 50 and name HD2 )) ASSI { 559} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 76 and name HD1%) 3.300 1.400 1.400 peak 559 spectrum 1 weight 0.10000E+01 volume 0.16125E-02 ppm1 2.150 ppm2 0.793 CV 1 OR { 559} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 86 and name HG2%) OR { 559} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 58 and name HD1%) OR { 559} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 94 and name HD1%) ASSI { 564} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 47 and name HA )) 4.000 2.000 2.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.63438E-03 ppm1 2.162 ppm2 4.447 CV 1 OR { 564} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HA )) ASSI { 565} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HB3 )) 1.500 0.300 0.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.47262E-01 ppm1 2.084 ppm2 1.941 CV 1 OR { 565} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HG3 )) OR { 565} (( segid " " and resid 50 and name HG3 )) (( segid " " and resid 50 and name HB3 )) OR { 565} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB2 )) ASSI { 566} (( segid " " and resid 50 and name HG3 )) (( segid " " and resid 47 and name HA )) 2.900 1.000 1.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.35131E-02 ppm1 2.095 ppm2 4.447 CV 1 OR { 566} (( segid " " and resid 50 and name HG3 )) (( segid " " and resid 50 and name HA )) ASSI { 572} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 47 and name HA )) 3.100 1.200 1.200 peak 572 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 1.930 ppm2 4.461 CV 1 OR { 572} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 50 and name HA )) OR { 572} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 39 and name HA )) OR { 572} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 10 and name HA )) OR { 572} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 50 and name HA )) ASSI { 574} ( segid " " and resid 16 and name HD2%) (( segid " " and resid 16 and name HA )) 3.600 1.600 1.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.16580E-02 ppm1 0.635 ppm2 3.551 CV 1 OR { 574} ( segid " " and resid 16 and name HD2%) (( segid " " and resid 97 and name HB2 )) ASSI { 580} ( segid " " and resid 16 and name HD2%) (( segid " " and resid 14 and name HA2 )) 3.100 1.200 1.200 peak 580 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 0.638 ppm2 3.993 CV 1 OR { 580} ( segid " " and resid 16 and name HD2%) (( segid " " and resid 13 and name HB3 )) OR { 580} ( segid " " and resid 16 and name HD2%) (( segid " " and resid 13 and name HB2 )) ASSI { 582} (( segid " " and resid 30 and name HG12)) (( segid " " and resid 35 and name HB2 )) 3.500 1.500 1.500 peak 582 spectrum 1 weight 0.10000E+01 volume 0.14659E-02 ppm1 1.532 ppm2 2.150 CV 1 OR { 582} (( segid " " and resid 30 and name HG12)) (( segid " " and resid 38 and name HB2 )) ASSI { 585} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HB2 )) 1.600 0.300 0.600 peak 585 spectrum 1 weight 0.10000E+01 volume 0.25526E-01 ppm1 1.930 ppm2 2.059 CV 1 OR { 585} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 11 and name HG2 )) ASSI { 590} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 11 and name HA )) 4.500 2.500 1.500 peak 590 spectrum 1 weight 0.10000E+01 volume 0.27549E-03 ppm1 1.927 ppm2 4.310 CV 1 OR { 590} (( segid " " and resid 41 and name HG2 )) (( segid " " and resid 42 and name HA )) ASSI { 592} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 37 and name HA )) 2.000 2.000 4.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.24870E-01 ppm1 2.095 ppm2 3.786 CV 1 OR { 592} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 44 and name HD3 )) ASSI { 594} (( segid " " and resid 50 and name HG3 )) ( segid " " and resid 43 and name HG2%) 3.700 1.700 1.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.97053E-03 ppm1 2.114 ppm2 1.101 CV 1 OR { 594} (( segid " " and resid 45 and name HG3 )) ( segid " " and resid 43 and name HG1%) ASSI { 595} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 34 and name HA )) 2.700 2.700 3.300 peak 595 spectrum 1 weight 0.10000E+01 volume 0.35131E-02 ppm1 2.103 ppm2 4.133 CV 1 OR { 595} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 44 and name HD2 )) ASSI { 596} (( segid " " and resid 56 and name HG2 )) ( segid " " and resid 58 and name HD1%) 4.000 2.000 2.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.62680E-03 ppm1 1.543 ppm2 0.777 CV 1 OR { 596} (( segid " " and resid 56 and name HG2 )) ( segid " " and resid 19 and name HD1%) ASSI { 597} (( segid " " and resid 56 and name HG3 )) ( segid " " and resid 58 and name HD1%) 3.100 3.100 2.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.31340E-02 ppm1 1.662 ppm2 0.774 CV 1 OR { 597} (( segid " " and resid 56 and name HG3 )) ( segid " " and resid 19 and name HD1%) ASSI { 599} (( segid " " and resid 56 and name HG3 )) ( segid " " and resid 52 and name HD2%) 3.700 1.700 1.700 peak 599 spectrum 1 weight 0.10000E+01 volume 0.97308E-03 ppm1 1.677 ppm2 0.874 CV 1 OR { 599} (( segid " " and resid 56 and name HG3 )) ( segid " " and resid 59 and name HD1%) ASSI { 628} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HA )) 3.100 1.200 1.200 peak 628 spectrum 1 weight 0.10000E+01 volume 0.27549E-02 ppm1 2.263 ppm2 4.103 CV 1 OR { 628} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 67 and name HA )) ASSI { 629} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HB3 )) 1.600 0.300 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.30581E-01 ppm1 2.258 ppm2 1.983 CV 1 OR { 629} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB3 )) ASSI { 631} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 85 and name HA2 )) 2.700 0.900 0.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.60911E-02 ppm1 1.634 ppm2 4.319 CV 1 OR { 631} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 85 and name HA2 )) OR { 631} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 82 and name HA )) ASSI { 636} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 95 and name HA )) 3.000 3.000 3.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.51306E-02 ppm1 2.179 ppm2 4.251 CV 1 OR { 636} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 45 and name HA )) OR { 636} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 95 and name HA )) ASSI { 641} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 82 and name HE3 )) 1.800 0.400 0.400 peak 641 spectrum 1 weight 0.10000E+01 volume 0.36900E-01 ppm1 1.624 ppm2 2.930 CV 1 OR { 641} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 82 and name HE2 )) OR { 641} (( segid " " and resid 104 and name HD3 )) (( segid " " and resid 104 and name HE3 )) OR { 641} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HE2 )) OR { 641} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HE3 )) OR { 641} (( segid " " and resid 104 and name HD3 )) (( segid " " and resid 104 and name HE2 )) OR { 641} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 82 and name HE2 )) ASSI { 643} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 61 and name HA )) 2.700 0.900 0.900 peak 643 spectrum 1 weight 0.10000E+01 volume 0.48779E-02 ppm1 1.659 ppm2 3.992 CV 1 OR { 643} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 61 and name HA )) OR { 643} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 60 and name HA )) OR { 643} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 60 and name HA )) OR { 643} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 54 and name HA )) OR { 643} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 57 and name HA2 )) OR { 643} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 57 and name HA2 )) ASSI { 650} (( segid " " and resid 96 and name HD3 )) (( segid " " and resid 96 and name HG2 )) 2.200 0.600 0.600 peak 650 spectrum 1 weight 0.10000E+01 volume 0.10969E-01 ppm1 1.779 ppm2 1.656 CV 1 OR { 650} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HG2 )) OR { 650} (( segid " " and resid 10 and name HD3 )) (( segid " " and resid 10 and name HG2 )) OR { 650} (( segid " " and resid 96 and name HD2 )) (( segid " " and resid 96 and name HG2 )) ASSI { 651} (( segid " " and resid 96 and name HD2 )) (( segid " " and resid 96 and name HB2 )) 2.100 0.500 0.500 peak 651 spectrum 1 weight 0.10000E+01 volume 0.18222E-01 ppm1 1.779 ppm2 2.028 CV 1 OR { 651} (( segid " " and resid 10 and name HD3 )) (( segid " " and resid 10 and name HB2 )) OR { 651} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HB3 )) OR { 651} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HB2 )) OR { 651} (( segid " " and resid 10 and name HD3 )) (( segid " " and resid 10 and name HB3 )) OR { 651} (( segid " " and resid 96 and name HD3 )) (( segid " " and resid 96 and name HB3 )) OR { 651} (( segid " " and resid 96 and name HD3 )) (( segid " " and resid 96 and name HB2 )) ASSI { 652} (( segid " " and resid 96 and name HD3 )) (( segid " " and resid 96 and name HG3 )) 1.700 0.400 0.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.39680E-01 ppm1 1.780 ppm2 1.521 CV 1 OR { 652} (( segid " " and resid 10 and name HD3 )) (( segid " " and resid 10 and name HG3 )) OR { 652} (( segid " " and resid 96 and name HD2 )) (( segid " " and resid 96 and name HG3 )) OR { 652} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HG3 )) ASSI { 653} (( segid " " and resid 96 and name HD2 )) (( segid " " and resid 96 and name HE3 )) 2.300 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.72538E-02 ppm1 1.781 ppm2 3.047 CV 1 OR { 653} (( segid " " and resid 10 and name HD3 )) (( segid " " and resid 10 and name HE2 )) OR { 653} (( segid " " and resid 96 and name HD3 )) (( segid " " and resid 96 and name HE2 )) OR { 653} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HE3 )) OR { 653} (( segid " " and resid 10 and name HD3 )) (( segid " " and resid 10 and name HE3 )) OR { 653} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HE2 )) OR { 653} (( segid " " and resid 96 and name HD2 )) (( segid " " and resid 96 and name HE2 )) ASSI { 658} (( segid " " and resid 96 and name HD2 )) (( segid " " and resid 96 and name HA )) 3.000 1.200 1.200 peak 658 spectrum 1 weight 0.10000E+01 volume 0.27043E-02 ppm1 1.781 ppm2 4.033 CV 1 OR { 658} (( segid " " and resid 96 and name HD3 )) (( segid " " and resid 96 and name HA )) OR { 658} (( segid " " and resid 96 and name HD3 )) (( segid " " and resid 95 and name HB3 )) OR { 658} (( segid " " and resid 96 and name HD2 )) (( segid " " and resid 95 and name HB3 )) ASSI { 659} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HB2 )) 3.800 1.800 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.51054E-03 ppm1 1.347 ppm2 1.799 CV 1 OR { 659} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 96 and name HD3 )) ASSI { 660} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HB3 )) 3.200 1.300 1.300 peak 660 spectrum 1 weight 0.10000E+01 volume 0.30329E-02 ppm1 1.355 ppm2 1.706 CV 1 OR { 660} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 96 and name HG2 )) ASSI { 661} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HB2 )) 3.000 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.23681E-02 ppm1 1.401 ppm2 1.795 CV 1 OR { 661} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 96 and name HD3 )) ASSI { 662} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HB3 )) 3.100 1.200 1.200 peak 662 spectrum 1 weight 0.10000E+01 volume 0.27043E-02 ppm1 1.409 ppm2 1.689 CV 1 OR { 662} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 96 and name HG2 )) ASSI { 667} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HA )) 4.200 2.200 1.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.35637E-03 ppm1 1.348 ppm2 3.860 CV 1 OR { 667} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 100 and name HB3 )) OR { 667} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 100 and name HB2 )) ASSI { 668} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 61 and name HA )) 6.000 4.900 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.41955E-04 ppm1 1.677 ppm2 4.003 CV 1 OR { 668} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 61 and name HA )) OR { 668} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 60 and name HA )) OR { 668} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 60 and name HA )) OR { 668} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 54 and name HA )) OR { 668} (( segid " " and resid 54 and name HD3 )) (( segid " " and resid 54 and name HA )) ASSI { 669} (( segid " " and resid 94 and name HG12)) ( segid " " and resid 93 and name HG1%) 4.600 2.600 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.20927E-03 ppm1 0.928 ppm2 1.024 CV 1 OR { 669} (( segid " " and resid 94 and name HG12)) ( segid " " and resid 76 and name HD2%) ASSI { 684} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 39 and name HD1%) 3.900 1.900 1.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.59647E-03 ppm1 2.143 ppm2 0.956 CV 1 OR { 684} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 34 and name HD1%) OR { 684} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 39 and name HD2%) ASSI { 691} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 85 and name HA2 )) 6.000 5.700 0.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.35131E-04 ppm1 1.690 ppm2 4.279 CV 1 OR { 691} (( segid " " and resid 54 and name HD3 )) (( segid " " and resid 51 and name HA )) OR { 691} (( segid " " and resid 54 and name HD3 )) (( segid " " and resid 85 and name HA2 )) ASSI { 698} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 11 and name HG2 )) 3.300 1.400 1.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.98315E-03 ppm1 2.136 ppm2 2.047 CV 1 OR { 698} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 10 and name HB3 )) ASSI { 702} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HG2 )) 4.300 2.300 1.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.17464E-03 ppm1 2.141 ppm2 2.476 CV 1 OR { 702} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HG2 )) ASSI { 703} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 72 and name HD1%) 6.000 5.200 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.32604E-04 ppm1 1.787 ppm2 1.678 CV 1 OR { 703} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 60 and name HD3 )) OR { 703} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 60 and name HD2 )) OR { 703} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 12 and name HG )) ASSI { 704} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 76 and name HA )) 5.300 3.600 0.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.92505E-04 ppm1 1.793 ppm2 3.752 CV 1 OR { 704} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 56 and name HA )) ASSI { 706} (( segid " " and resid 58 and name HG13)) ( segid " " and resid 94 and name HG2%) 6.000 4.800 0.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.42966E-04 ppm1 1.131 ppm2 0.983 CV 1 OR { 706} (( segid " " and resid 58 and name HG13)) ( segid " " and resid 58 and name HG2%) ASSI { 718} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 52 and name HG )) 6.000 4.800 0.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.31340E-04 ppm1 1.786 ppm2 1.408 CV 1 OR { 718} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 52 and name HG )) OR { 718} (( segid " " and resid 56 and name HB3 )) ( segid " " and resid 53 and name HB% ) OR { 718} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 53 and name HB% ) ASSI { 720} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 58 and name HG2%) 4.400 2.400 1.600 peak 720 spectrum 1 weight 0.10000E+01 volume 0.81383E-04 ppm1 1.800 ppm2 0.981 CV 1 OR { 720} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 94 and name HG2%) ASSI { 721} (( segid " " and resid 56 and name HB3 )) ( segid " " and resid 52 and name HD2%) 6.000 4.400 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.38922E-04 ppm1 1.798 ppm2 0.882 CV 1 OR { 721} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 52 and name HD2%) OR { 721} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 59 and name HD1%) OR { 721} (( segid " " and resid 56 and name HB3 )) ( segid " " and resid 59 and name HD1%) ASSI { 723} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 52 and name HB3 )) 6.000 5.600 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.11146E-04 ppm1 1.786 ppm2 0.605 CV 1 OR { 723} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 52 and name HB3 )) OR { 723} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 16 and name HD2%) ASSI { 727} (( segid " " and resid 10 and name HB3 )) ( segid " " and resid 39 and name HD2%) 6.000 6.000 0.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.44988E-06 ppm1 1.986 ppm2 0.950 CV 1 OR { 727} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 39 and name HD2%) OR { 727} (( segid " " and resid 7 and name HB3 )) ( segid " " and resid 15 and name HD2%) OR { 727} (( segid " " and resid 10 and name HB3 )) ( segid " " and resid 15 and name HD2%) OR { 727} (( segid " " and resid 7 and name HB3 )) ( segid " " and resid 39 and name HD2%) ASSI { 728} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HG3 )) 3.100 1.200 1.200 peak 728 spectrum 1 weight 0.10000E+01 volume 0.17187E-02 ppm1 2.009 ppm2 2.303 CV 1 OR { 728} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HG2 )) OR { 728} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HG3 )) OR { 728} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HG2 )) OR { 728} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HG3 )) ASSI { 729} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HB3 )) 2.400 2.400 3.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.26538E-02 ppm1 2.136 ppm2 1.990 CV 1 OR { 729} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HB3 )) OR { 729} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HB3 )) ASSI { 730} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 34 and name HD1%) 4.600 2.600 1.400 peak 730 spectrum 1 weight 0.10000E+01 volume 0.29318E-03 ppm1 2.143 ppm2 0.947 CV 1 OR { 730} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 39 and name HD2%) OR { 730} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 34 and name HD2%) ASSI { 738} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 39 and name HA )) 6.000 4.900 0.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.52823E-04 ppm1 2.130 ppm2 4.445 CV 1 OR { 738} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 31 and name HB )) ASSI { 740} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HA )) 3.700 1.700 1.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.51054E-03 ppm1 2.017 ppm2 4.292 CV 1 OR { 740} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HA )) ASSI { 747} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HA )) 5.600 3.900 0.400 peak 747 spectrum 1 weight 0.10000E+01 volume 0.62680E-04 ppm1 2.140 ppm2 4.356 CV 1 OR { 747} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 18 and name HA )) ASSI { 748} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB3 )) 3.100 3.100 2.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.58383E-03 ppm1 2.306 ppm2 2.145 CV 1 OR { 748} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HG2 )) ASSI { 750} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HB2 )) 2.800 2.800 3.200 peak 750 spectrum 1 weight 0.10000E+01 volume 0.17161E-02 ppm1 2.138 ppm2 2.320 CV 1 OR { 750} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HG3 )) OR { 750} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HG3 )) OR { 750} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HG2 )) OR { 750} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HG3 )) ASSI { 751} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HB2 )) 1.400 0.200 0.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.75318E-01 ppm1 1.982 ppm2 2.136 CV 1 OR { 751} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HB2 )) OR { 751} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 47 and name HB2 )) OR { 751} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HB2 )) ASSI { 753} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HB2 )) 1.900 0.500 0.500 peak 753 spectrum 1 weight 0.10000E+01 volume 0.17490E-01 ppm1 1.976 ppm2 2.316 CV 1 OR { 753} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HG3 )) OR { 753} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HG2 )) OR { 753} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HG3 )) OR { 753} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HG2 )) OR { 753} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HG3 )) ASSI { 758} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 39 and name HD2%) 1.800 1.800 4.200 peak 758 spectrum 1 weight 0.10000E+01 volume 0.38922E-01 ppm1 1.911 ppm2 0.965 CV 1 OR { 758} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 15 and name HD2%) ASSI { 777} (( segid " " and resid 11 and name HB3 )) ( segid " " and resid 15 and name HD2%) 3.500 1.500 1.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 1.599 ppm2 0.970 CV 1 OR { 777} (( segid " " and resid 11 and name HB3 )) ( segid " " and resid 39 and name HD2%) ASSI { 778} (( segid " " and resid 11 and name HB3 )) ( segid " " and resid 6 and name HD1%) 3.100 3.100 2.900 peak 778 spectrum 1 weight 0.10000E+01 volume 0.10868E-02 ppm1 1.605 ppm2 0.783 CV 1 OR { 778} (( segid " " and resid 11 and name HB3 )) ( segid " " and resid 19 and name HD1%) ASSI { 800} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 52 and name HB3 )) 4.100 2.100 1.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.97053E-03 ppm1 1.712 ppm2 0.607 CV 1 OR { 800} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 19 and name HD2%) ASSI { 803} (( segid " " and resid 55 and name HB3 )) ( segid " " and resid 52 and name HD1%) 3.600 1.600 1.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.81383E-03 ppm1 1.306 ppm2 0.942 CV 1 OR { 803} (( segid " " and resid 55 and name HB3 )) ( segid " " and resid 15 and name HD2%) OR { 803} (( segid " " and resid 55 and name HB3 )) ( segid " " and resid 94 and name HG2%) ASSI { 809} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HG2 )) 1.800 0.400 0.400 peak 809 spectrum 1 weight 0.10000E+01 volume 0.29065E-01 ppm1 2.562 ppm2 2.110 CV 1 OR { 809} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HG3 )) OR { 809} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 47 and name HB2 )) ASSI { 826} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HA )) 5.900 4.400 0.100 peak 826 spectrum 1 weight 0.10000E+01 volume 0.46504E-04 ppm1 1.918 ppm2 4.242 CV 1 OR { 826} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 55 and name HA )) OR { 826} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 51 and name HA )) OR { 826} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 64 and name HA )) OR { 826} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 51 and name HA )) ASSI { 827} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HE2 )) 2.500 0.800 0.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.53834E-02 ppm1 1.927 ppm2 2.936 CV 1 OR { 827} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HE2 )) OR { 827} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HE3 )) OR { 827} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HE3 )) OR { 827} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HE2 )) ASSI { 830} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HD3 )) 2.300 0.700 0.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.96549E-02 ppm1 1.926 ppm2 1.682 CV 1 OR { 830} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HD2 )) OR { 830} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HD2 )) OR { 830} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HD3 )) OR { 830} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HD2 )) OR { 830} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HD3 )) OR { 830} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HD2 )) ASSI { 834} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HA )) 2.100 0.600 0.600 peak 834 spectrum 1 weight 0.10000E+01 volume 0.11955E-01 ppm1 1.928 ppm2 4.005 CV 1 OR { 834} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HA )) OR { 834} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HA )) ASSI { 836} (( segid " " and resid 93 and name HB )) ( segid " " and resid 92 and name HB% ) 2.800 1.000 1.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.59647E-02 ppm1 2.372 ppm2 1.641 CV 1 OR { 836} (( segid " " and resid 93 and name HB )) (( segid " " and resid 12 and name HG )) ASSI { 872} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 104 and name HB2 )) 1.800 0.400 0.400 peak 872 spectrum 1 weight 0.10000E+01 volume 0.14002E-01 ppm1 1.755 ppm2 1.831 CV 1 OR { 872} (( segid " " and resid 55 and name HG3 )) (( segid " " and resid 55 and name HG2 )) ASSI { 886} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 76 and name HD1%) 3.400 1.500 1.500 peak 886 spectrum 1 weight 0.10000E+01 volume 0.15442E-02 ppm1 1.898 ppm2 0.793 CV 1 OR { 886} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 58 and name HD1%) OR { 886} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 94 and name HD1%) ASSI { 887} (( segid " " and resid 79 and name HG3 )) ( segid " " and resid 76 and name HD1%) 3.100 1.200 1.200 peak 887 spectrum 1 weight 0.10000E+01 volume 0.16377E-02 ppm1 1.359 ppm2 0.793 CV 1 OR { 887} (( segid " " and resid 79 and name HG3 )) ( segid " " and resid 58 and name HD1%) ASSI { 904} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG3 )) 2.500 0.800 0.800 peak 904 spectrum 1 weight 0.10000E+01 volume 0.39175E-02 ppm1 2.054 ppm2 2.280 CV 1 OR { 904} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 71 and name HB2 )) ASSI { 905} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 905 spectrum 1 weight 0.10000E+01 volume 0.19082E-02 ppm1 1.582 ppm2 2.281 CV 1 OR { 905} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HG3 )) ASSI { 926} (( segid " " and resid 71 and name HG3 )) (( segid " " and resid 71 and name HB2 )) 2.500 0.800 0.800 peak 926 spectrum 1 weight 0.10000E+01 volume 0.40944E-02 ppm1 2.478 ppm2 2.269 CV 1 OR { 926} (( segid " " and resid 90 and name HG3 )) (( segid " " and resid 86 and name HB )) ASSI { 940} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 62 and name HA )) 2.700 2.700 3.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.79106E-02 ppm1 2.278 ppm2 3.229 CV 1 OR { 940} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 68 and name HB2 )) ASSI { 945} (( segid " " and resid 90 and name HG2 )) ( segid " " and resid 12 and name HD1%) 3.400 1.400 1.400 peak 945 spectrum 1 weight 0.10000E+01 volume 0.15670E-02 ppm1 2.656 ppm2 1.248 CV 1 OR { 945} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 72 and name HG )) ASSI { 947} (( segid " " and resid 90 and name HG3 )) ( segid " " and resid 87 and name HG2%) 3.300 1.300 1.300 peak 947 spectrum 1 weight 0.10000E+01 volume 0.13572E-02 ppm1 2.483 ppm2 1.289 CV 1 OR { 947} (( segid " " and resid 90 and name HG3 )) ( segid " " and resid 12 and name HD1%) ASSI { 949} (( segid " " and resid 90 and name HG3 )) (( segid " " and resid 90 and name HB3 )) 2.800 1.000 1.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.40692E-02 ppm1 2.482 ppm2 1.615 CV 1 OR { 949} (( segid " " and resid 71 and name HG3 )) (( segid " " and resid 67 and name HB3 )) ASSI { 952} (( segid " " and resid 90 and name HG2 )) (( segid " " and resid 90 and name HB3 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.42461E-02 ppm1 2.664 ppm2 1.613 CV 1 OR { 952} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB3 )) ASSI { 967} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 967 spectrum 1 weight 0.10000E+01 volume 0.25021E-02 ppm1 2.222 ppm2 4.340 CV 1 OR { 967} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 43 and name HA )) ASSI { 970} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 42 and name HB3 )) 2.600 0.800 0.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.82391E-02 ppm1 2.235 ppm2 1.968 CV 1 OR { 970} (( segid " " and resid 47 and name HG3 )) (( segid " " and resid 47 and name HB3 )) ASSI { 971} (( segid " " and resid 5 and name HG3 )) (( segid " " and resid 5 and name HB3 )) 2.200 0.600 0.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.15973E-01 ppm1 2.312 ppm2 2.027 CV 1 OR { 971} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HB3 )) OR { 971} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB3 )) OR { 971} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HB3 )) ASSI { 972} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HB2 )) 1.800 0.400 0.400 peak 972 spectrum 1 weight 0.10000E+01 volume 0.39428E-01 ppm1 2.305 ppm2 2.127 CV 1 OR { 972} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 107 and name HB2 )) OR { 972} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HB2 )) OR { 972} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB2 )) OR { 972} (( segid " " and resid 5 and name HG3 )) (( segid " " and resid 5 and name HB2 )) OR { 972} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 107 and name HB2 )) ASSI { 973} (( segid " " and resid 42 and name HG2 )) ( segid " " and resid 43 and name HG1%) 2.900 1.100 1.100 peak 973 spectrum 1 weight 0.10000E+01 volume 0.71275E-02 ppm1 2.331 ppm2 1.098 CV 1 OR { 973} (( segid " " and resid 42 and name HG2 )) ( segid " " and resid 43 and name HG2%) OR { 973} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 43 and name HG2%) ASSI { 983} (( segid " " and resid 32 and name HG3 )) ( segid " " and resid 31 and name HG2%) 3.300 1.400 1.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.24491E-02 ppm1 2.350 ppm2 1.280 CV 1 OR { 983} (( segid " " and resid 42 and name HG2 )) (( segid " " and resid 36 and name HG3 )) ASSI { 990} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HA )) 3.100 1.200 1.200 peak 990 spectrum 1 weight 0.10000E+01 volume 0.13749E-02 ppm1 2.011 ppm2 3.879 CV 1 OR { 990} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HA )) ASSI { 1000} (( segid " " and resid 30 and name HB )) ( segid " " and resid 30 and name HG2%) 2.200 0.600 0.600 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.80369E-02 ppm1 1.898 ppm2 0.952 CV 1 OR { 1000} (( segid " " and resid 94 and name HB )) ( segid " " and resid 94 and name HG2%) ASSI { 1003} (( segid " " and resid 94 and name HB )) (( segid " " and resid 94 and name HA )) 3.600 1.600 1.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.72034E-03 ppm1 1.897 ppm2 3.696 CV 1 OR { 1003} (( segid " " and resid 94 and name HB )) (( segid " " and resid 76 and name HA )) ASSI { 1004} (( segid " " and resid 30 and name HB )) ( segid " " and resid 30 and name HD1%) 2.100 0.600 0.600 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.11879E-01 ppm1 1.902 ppm2 0.849 CV 1 OR { 1004} (( segid " " and resid 94 and name HB )) ( segid " " and resid 94 and name HD1%) ASSI { 1025} (( segid " " and resid 62 and name HB )) ( segid " " and resid 72 and name HD2%) 3.600 1.600 1.600 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 1.217 ppm2 0.884 CV 1 OR { 1025} (( segid " " and resid 62 and name HB )) ( segid " " and resid 59 and name HD2%) ASSI { 1043} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 14 and name HA2 )) 3.100 1.200 1.200 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 3.002 ppm2 4.004 CV 1 OR { 1043} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 49 and name HA )) ASSI { 1048} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 18 and name HB% ) 3.800 1.900 1.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.84923E-03 ppm1 2.884 ppm2 1.589 CV 1 OR { 1048} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 6 and name HG )) ASSI { 1049} (( segid " " and resid 17 and name HB3 )) ( segid " " and resid 18 and name HB% ) 4.500 2.600 1.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.31845E-03 ppm1 3.012 ppm2 1.603 CV 1 OR { 1049} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 39 and name HG )) ASSI { 1054} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 58 and name HG2%) 4.700 2.700 1.300 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.27549E-03 ppm1 3.539 ppm2 0.948 CV 1 OR { 1054} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 94 and name HG2%) ASSI { 1077} (( segid " " and resid 16 and name HB3 )) ( segid " " and resid 62 and name HD1%) 3.000 1.100 1.100 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.14558E-02 ppm1 1.248 ppm2 0.551 CV 1 OR { 1077} (( segid " " and resid 16 and name HB3 )) ( segid " " and resid 16 and name HD1%) ASSI { 1098} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 43 and name HB )) 2.800 1.000 1.000 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.23252E-02 ppm1 3.227 ppm2 2.345 CV 1 OR { 1098} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 42 and name HG2 )) ASSI { 1099} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 43 and name HB )) 3.100 1.200 1.200 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.22949E-02 ppm1 2.086 ppm2 2.339 CV 1 OR { 1099} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 7 and name HG2 )) OR { 1099} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 42 and name HG2 )) ASSI { 1104} (( segid " " and resid 86 and name HB )) (( segid " " and resid 86 and name HG13)) 2.700 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.19587E-02 ppm1 2.303 ppm2 1.339 CV 1 OR { 1104} (( segid " " and resid 86 and name HB )) ( segid " " and resid 87 and name HG2%) ASSI { 1125} (( segid " " and resid 89 and name HB2 )) ( segid " " and resid 92 and name HB% ) 4.300 2.400 1.700 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.54087E-03 ppm1 2.703 ppm2 1.643 CV 1 OR { 1125} (( segid " " and resid 89 and name HB3 )) ( segid " " and resid 92 and name HB% ) OR { 1125} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 90 and name HB3 )) ASSI { 1140} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 91 and name HB% ) 3.700 1.700 1.700 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.16150E-02 ppm1 2.131 ppm2 1.480 CV 1 OR { 1140} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 72 and name HB3 )) ASSI { 1143} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 72 and name HB3 )) 3.600 1.600 1.600 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.14937E-02 ppm1 1.276 ppm2 1.480 CV 1 OR { 1143} (( segid " " and resid 76 and name HB2 )) ( segid " " and resid 91 and name HB% ) ASSI { 1156} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HB3 )) 1.800 0.400 0.400 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.11550E-01 ppm1 1.733 ppm2 1.556 CV 1 OR { 1156} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HG )) ASSI { 1175} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 34 and name HD1%) 2.300 0.700 0.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.10009E-01 ppm1 1.742 ppm2 0.909 CV 1 OR { 1175} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 59 and name HD1%) OR { 1175} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 34 and name HD2%) OR { 1175} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 59 and name HD2%) ASSI { 1178} (( segid " " and resid 102 and name HE3 )) (( segid " " and resid 102 and name HD2 )) 1.900 0.400 0.400 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.22898E-01 ppm1 2.906 ppm2 1.460 CV 1 OR { 1178} (( segid " " and resid 82 and name HE3 )) (( segid " " and resid 82 and name HG2 )) OR { 1178} (( segid " " and resid 102 and name HE3 )) (( segid " " and resid 102 and name HD3 )) ASSI { 1184} (( segid " " and resid 82 and name HE3 )) (( segid " " and resid 85 and name HA1 )) 3.100 1.200 1.200 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.25780E-02 ppm1 2.914 ppm2 4.070 CV 1 OR { 1184} (( segid " " and resid 81 and name HE3 )) (( segid " " and resid 78 and name HA )) OR { 1184} (( segid " " and resid 82 and name HE2 )) (( segid " " and resid 85 and name HA1 )) OR { 1184} (( segid " " and resid 81 and name HE2 )) (( segid " " and resid 78 and name HA )) ASSI { 1189} (( segid " " and resid 82 and name HE3 )) (( segid " " and resid 85 and name HA2 )) 2.900 1.000 1.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.46757E-02 ppm1 2.911 ppm2 4.306 CV 1 OR { 1189} (( segid " " and resid 82 and name HE2 )) (( segid " " and resid 85 and name HA2 )) OR { 1189} (( segid " " and resid 82 and name HE2 )) (( segid " " and resid 82 and name HA )) OR { 1189} (( segid " " and resid 81 and name HE3 )) (( segid " " and resid 77 and name HB )) OR { 1189} (( segid " " and resid 82 and name HE3 )) (( segid " " and resid 82 and name HA )) ASSI { 1211} (( segid " " and resid 96 and name HE2 )) (( segid " " and resid 96 and name HG2 )) 2.700 0.900 0.900 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.36900E-02 ppm1 3.045 ppm2 1.657 CV 1 OR { 1211} (( segid " " and resid 10 and name HE3 )) (( segid " " and resid 10 and name HG2 )) OR { 1211} (( segid " " and resid 10 and name HE2 )) (( segid " " and resid 10 and name HG2 )) OR { 1211} (( segid " " and resid 96 and name HE3 )) (( segid " " and resid 96 and name HG2 )) ASSI { 1212} (( segid " " and resid 10 and name HE3 )) (( segid " " and resid 10 and name HG3 )) 2.400 0.700 0.700 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.97556E-02 ppm1 3.049 ppm2 1.519 CV 1 OR { 1212} (( segid " " and resid 10 and name HE2 )) (( segid " " and resid 10 and name HG3 )) OR { 1212} (( segid " " and resid 96 and name HE2 )) (( segid " " and resid 96 and name HG3 )) OR { 1212} (( segid " " and resid 96 and name HE3 )) (( segid " " and resid 96 and name HG3 )) ASSI { 1225} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 55 and name HB3 )) 2.300 2.300 3.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.14305E-01 ppm1 2.012 ppm2 1.283 CV 1 OR { 1225} (( segid " " and resid 15 and name HB3 )) ( segid " " and resid 12 and name HD1%) OR { 1225} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 16 and name HB3 )) ASSI { 1237} (( segid " " and resid 35 and name HB3 )) ( segid " " and resid 35 and name HD2%) 2.400 0.700 0.700 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.44482E-02 ppm1 1.473 ppm2 0.899 CV 1 OR { 1237} (( segid " " and resid 72 and name HB3 )) ( segid " " and resid 72 and name HD2%) ASSI { 1240} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HB2 )) 1.800 0.400 0.400 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.93513E-02 ppm1 1.468 ppm2 2.186 CV 1 OR { 1240} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 72 and name HB2 )) ASSI { 1242} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HD2%) 3.200 1.300 1.300 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.16605E-02 ppm1 2.176 ppm2 0.899 CV 1 OR { 1242} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 72 and name HD2%) ASSI { 1260} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 69 and name HA )) 4.200 2.300 1.800 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.60405E-03 ppm1 1.459 ppm2 4.547 CV 1 OR { 1260} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 33 and name HA )) ASSI { 1262} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) 3.200 1.300 1.300 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.14760E-02 ppm1 2.162 ppm2 4.302 CV 1 OR { 1262} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 18 and name HA )) ASSI { 1263} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 39 and name HD1%) 2.400 2.400 3.600 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.36394E-01 ppm1 2.178 ppm2 1.026 CV 1 OR { 1263} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 76 and name HD2%) ASSI { 1267} (( segid " " and resid 49 and name HD3 )) (( segid " " and resid 49 and name HG3 )) 2.500 0.800 0.800 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.62427E-02 ppm1 3.240 ppm2 1.929 CV 1 OR { 1267} (( segid " " and resid 106 and name HD3 )) (( segid " " and resid 106 and name HB3 )) OR { 1267} (( segid " " and resid 106 and name HD2 )) (( segid " " and resid 106 and name HB3 )) ASSI { 1278} (( segid " " and resid 56 and name HD3 )) ( segid " " and resid 58 and name HD1%) 2.700 2.700 3.300 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.60657E-02 ppm1 3.163 ppm2 0.781 CV 1 OR { 1278} (( segid " " and resid 56 and name HD3 )) ( segid " " and resid 19 and name HD1%) ASSI { 1282} (( segid " " and resid 56 and name HD2 )) ( segid " " and resid 52 and name HD2%) 1.900 1.900 4.100 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.17768E-01 ppm1 3.106 ppm2 0.880 CV 1 OR { 1282} (( segid " " and resid 56 and name HD2 )) ( segid " " and resid 59 and name HD1%) ASSI { 1286} (( segid " " and resid 85 and name HA1 )) (( segid " " and resid 54 and name HG2 )) 4.100 2.100 1.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.32856E-03 ppm1 4.056 ppm2 1.474 CV 1 OR { 1286} (( segid " " and resid 85 and name HA1 )) (( segid " " and resid 82 and name HG2 )) ASSI { 1289} (( segid " " and resid 85 and name HA1 )) (( segid " " and resid 82 and name HB2 )) 2.900 2.900 3.100 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.13269E-02 ppm1 4.048 ppm2 1.745 CV 1 OR { 1289} (( segid " " and resid 85 and name HA1 )) (( segid " " and resid 55 and name HG3 )) ASSI { 1297} (( segid " " and resid 29 and name HA1 )) (( segid " " and resid 28 and name HB2 )) 3.600 1.600 1.600 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.88966E-03 ppm1 3.975 ppm2 2.310 CV 1 OR { 1297} (( segid " " and resid 29 and name HA2 )) (( segid " " and resid 28 and name HB2 )) OR { 1297} (( segid " " and resid 4 and name HA1 )) (( segid " " and resid 5 and name HG2 )) OR { 1297} (( segid " " and resid 4 and name HA2 )) (( segid " " and resid 5 and name HG2 )) OR { 1297} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 7 and name HG3 )) OR { 1297} (( segid " " and resid 4 and name HA1 )) (( segid " " and resid 5 and name HG3 )) OR { 1297} (( segid " " and resid 4 and name HA2 )) (( segid " " and resid 5 and name HG3 )) ASSI { 1298} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HG )) 2.800 1.000 1.000 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.27549E-02 ppm1 2.089 ppm2 1.625 CV 1 OR { 1298} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 11 and name HB3 )) ASSI { 1299} (( segid " " and resid 29 and name HA1 )) (( segid " " and resid 34 and name HB2 )) 4.700 2.700 1.300 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.20245E-03 ppm1 3.980 ppm2 1.766 CV 1 OR { 1299} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 10 and name HD2 )) OR { 1299} (( segid " " and resid 29 and name HA2 )) (( segid " " and resid 34 and name HB2 )) OR { 1299} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 10 and name HD3 )) ASSI { 1304} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 39 and name HG )) 2.800 1.000 1.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.21104E-02 ppm1 1.347 ppm2 1.628 CV 1 OR { 1304} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 11 and name HB3 )) ASSI { 1307} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 11 and name HG2 )) 3.300 1.300 1.300 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.15695E-02 ppm1 3.969 ppm2 2.027 CV 1 OR { 1307} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 7 and name HB3 )) OR { 1307} (( segid " " and resid 4 and name HA1 )) (( segid " " and resid 5 and name HB3 )) OR { 1307} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 10 and name HB3 )) OR { 1307} (( segid " " and resid 4 and name HA2 )) (( segid " " and resid 5 and name HB3 )) OR { 1307} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 10 and name HB2 )) OR { 1307} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 12 and name HB2 )) ASSI { 1309} (( segid " " and resid 9 and name HA1 )) (( segid " " and resid 12 and name HB3 )) 3.400 1.500 1.500 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.10817E-02 ppm1 4.043 ppm2 2.021 CV 1 OR { 1309} (( segid " " and resid 9 and name HA1 )) (( segid " " and resid 12 and name HB2 )) OR { 1309} (( segid " " and resid 9 and name HA2 )) (( segid " " and resid 12 and name HB3 )) OR { 1309} (( segid " " and resid 9 and name HA2 )) (( segid " " and resid 10 and name HB2 )) OR { 1309} (( segid " " and resid 9 and name HA2 )) (( segid " " and resid 12 and name HB2 )) OR { 1309} (( segid " " and resid 9 and name HA2 )) (( segid " " and resid 10 and name HB3 )) OR { 1309} (( segid " " and resid 9 and name HA1 )) (( segid " " and resid 10 and name HB3 )) OR { 1309} (( segid " " and resid 9 and name HA1 )) (( segid " " and resid 10 and name HB2 )) ASSI { 1311} (( segid " " and resid 9 and name HA1 )) ( segid " " and resid 93 and name HG2%) 2.900 1.100 1.100 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.26791E-02 ppm1 4.044 ppm2 1.282 CV 1 OR { 1311} (( segid " " and resid 9 and name HA2 )) ( segid " " and resid 93 and name HG2%) OR { 1311} (( segid " " and resid 84 and name HA1 )) (( segid " " and resid 82 and name HG3 )) ASSI { 1312} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 57 and name HA2 )) 2.000 0.500 0.500 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.75318E-02 ppm1 3.853 ppm2 3.990 CV 1 OR { 1312} (( segid " " and resid 14 and name HA1 )) (( segid " " and resid 14 and name HA2 )) ASSI { 1323} (( segid " " and resid 50 and name HD3 )) (( segid " " and resid 48 and name HA )) 4.500 2.500 1.500 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.54339E-03 ppm1 3.491 ppm2 4.208 CV 1 OR { 1323} (( segid " " and resid 50 and name HD3 )) (( segid " " and resid 51 and name HA )) ASSI { 1324} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 10 and name HG2 )) 2.500 0.800 0.800 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.74814E-02 ppm1 3.799 ppm2 1.617 CV 1 OR { 1324} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 11 and name HB3 )) ASSI { 1326} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 10 and name HB3 )) 1.800 0.400 0.400 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.28307E-01 ppm1 3.774 ppm2 2.032 CV 1 OR { 1326} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 11 and name HG2 )) OR { 1326} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 10 and name HB2 )) ASSI { 1327} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 49 and name HB3 )) 3.700 1.700 1.700 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.10236E-02 ppm1 3.720 ppm2 1.939 CV 1 OR { 1327} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HB3 )) ASSI { 1331} (( segid " " and resid 50 and name HD3 )) (( segid " " and resid 49 and name HB3 )) 2.500 0.800 0.800 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.42207E-02 ppm1 3.488 ppm2 1.940 CV 1 OR { 1331} (( segid " " and resid 50 and name HD3 )) (( segid " " and resid 50 and name HB3 )) ASSI { 1333} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 47 and name HA )) 3.300 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.81887E-03 ppm1 3.718 ppm2 4.445 CV 1 OR { 1333} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HA )) ASSI { 1336} (( segid " " and resid 50 and name HD3 )) (( segid " " and resid 50 and name HG3 )) 2.200 0.600 0.600 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.76326E-02 ppm1 3.489 ppm2 2.095 CV 1 OR { 1336} (( segid " " and resid 50 and name HD3 )) (( segid " " and resid 49 and name HB2 )) ASSI { 1339} (( segid " " and resid 50 and name HD3 )) (( segid " " and resid 50 and name HA )) 3.500 1.500 1.500 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.89214E-03 ppm1 3.488 ppm2 4.441 CV 1 OR { 1339} (( segid " " and resid 50 and name HD3 )) (( segid " " and resid 47 and name HA )) ASSI { 1346} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 7 and name HG3 )) 4.000 2.000 2.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.77085E-03 ppm1 3.782 ppm2 2.330 CV 1 OR { 1346} (( segid " " and resid 44 and name HD3 )) (( segid " " and resid 43 and name HB )) OR { 1346} (( segid " " and resid 44 and name HD3 )) (( segid " " and resid 47 and name HG2 )) ASSI { 1350} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 44 and name HB2 )) 3.000 1.200 1.200 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 3.932 ppm2 2.564 CV 1 OR { 1350} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HB2 )) ASSI { 1356} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 44 and name HB3 )) 3.900 1.900 1.900 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.85682E-03 ppm1 4.127 ppm2 1.997 CV 1 OR { 1356} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 47 and name HB3 )) ASSI { 1360} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 44 and name HG3 )) 2.500 0.800 0.800 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.32098E-02 ppm1 4.124 ppm2 2.112 CV 1 OR { 1360} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 44 and name HG2 )) OR { 1360} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 47 and name HB2 )) ASSI { 1374} (( segid " " and resid 20 and name HA )) (( segid " " and resid 30 and name HG13)) 3.900 1.900 1.900 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.91995E-03 ppm1 4.048 ppm2 1.225 CV 1 OR { 1374} (( segid " " and resid 20 and name HA )) (( segid " " and resid 16 and name HB3 )) ASSI { 1380} (( segid " " and resid 63 and name HA )) ( segid " " and resid 20 and name HB% ) 2.000 2.000 4.000 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.15139E-01 ppm1 4.216 ppm2 1.672 CV 1 OR { 1380} (( segid " " and resid 63 and name HA )) ( segid " " and resid 72 and name HD1%) ASSI { 1382} (( segid " " and resid 18 and name HA )) (( segid " " and resid 34 and name HB2 )) 4.700 2.800 1.300 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.35637E-03 ppm1 4.313 ppm2 1.750 CV 1 OR { 1382} (( segid " " and resid 18 and name HA )) (( segid " " and resid 59 and name HG )) ASSI { 1392} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HG2 )) 3.100 1.200 1.200 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.27043E-02 ppm1 3.928 ppm2 1.529 CV 1 OR { 1392} (( segid " " and resid 53 and name HA )) (( segid " " and resid 52 and name HB2 )) ASSI { 1393} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HB% ) 2.300 0.700 0.700 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.70516E-02 ppm1 4.317 ppm2 1.590 CV 1 OR { 1393} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB3 )) OR { 1393} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB2 )) ASSI { 1401} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HB2 )) 3.800 1.800 1.800 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.16428E-02 ppm1 4.308 ppm2 2.894 CV 1 OR { 1401} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HE2 )) OR { 1401} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HE3 )) ASSI { 1402} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HG2 )) 3.500 1.500 1.500 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.94017E-03 ppm1 4.318 ppm2 2.317 CV 1 OR { 1402} (( segid " " and resid 6 and name HA )) (( segid " " and resid 42 and name HG2 )) OR { 1402} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HG3 )) ASSI { 1403} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB3 )) 2.600 0.800 0.800 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.41702E-02 ppm1 4.320 ppm2 1.456 CV 1 OR { 1403} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG2 )) ASSI { 1406} (( segid " " and resid 6 and name HA )) (( segid " " and resid 40 and name HB3 )) 3.600 1.700 1.700 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.11474E-02 ppm1 4.312 ppm2 2.049 CV 1 OR { 1406} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HB3 )) OR { 1406} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HB2 )) ASSI { 1414} (( segid " " and resid 91 and name HA )) ( segid " " and resid 76 and name HD1%) 2.600 0.800 0.800 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 3.864 ppm2 0.818 CV 1 OR { 1414} (( segid " " and resid 91 and name HA )) ( segid " " and resid 94 and name HD1%) ASSI { 1421} (( segid " " and resid 39 and name HA )) (( segid " " and resid 11 and name HB2 )) 4.300 2.400 1.700 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.46251E-03 ppm1 4.459 ppm2 1.913 CV 1 OR { 1421} (( segid " " and resid 39 and name HA )) (( segid " " and resid 41 and name HG3 )) OR { 1421} (( segid " " and resid 39 and name HA )) (( segid " " and resid 11 and name HG3 )) OR { 1421} (( segid " " and resid 39 and name HA )) (( segid " " and resid 41 and name HG2 )) ASSI { 1436} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB3 )) 2.400 0.700 0.700 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.71275E-02 ppm1 4.329 ppm2 1.981 CV 1 OR { 1436} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB2 )) ASSI { 1442} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HG2 )) 2.200 0.600 0.600 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.15316E-01 ppm1 4.338 ppm2 2.337 CV 1 OR { 1442} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HG3 )) OR { 1442} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HG2 )) ASSI { 1444} (( segid " " and resid 55 and name HA )) ( segid " " and resid 94 and name HG2%) 3.100 1.200 1.200 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.35637E-02 ppm1 4.220 ppm2 0.972 CV 1 OR { 1444} (( segid " " and resid 55 and name HA )) ( segid " " and resid 58 and name HG2%) ASSI { 1459} (( segid " " and resid 19 and name HA )) ( segid " " and resid 35 and name HD2%) 2.900 1.100 1.100 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.26032E-02 ppm1 4.103 ppm2 0.880 CV 1 OR { 1459} (( segid " " and resid 19 and name HA )) ( segid " " and resid 59 and name HD2%) OR { 1459} (( segid " " and resid 19 and name HA )) ( segid " " and resid 52 and name HD2%) ASSI { 1460} (( segid " " and resid 19 and name HA )) ( segid " " and resid 18 and name HB% ) 3.100 1.200 1.200 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.26791E-02 ppm1 4.095 ppm2 1.573 CV 1 OR { 1460} (( segid " " and resid 19 and name HA )) (( segid " " and resid 59 and name HB3 )) ASSI { 1466} (( segid " " and resid 17 and name HA )) (( segid " " and resid 30 and name HG13)) 3.000 3.000 3.000 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.33362E-02 ppm1 4.480 ppm2 1.199 CV 1 OR { 1466} (( segid " " and resid 17 and name HA )) (( segid " " and resid 62 and name HB )) OR { 1466} (( segid " " and resid 17 and name HA )) ( segid " " and resid 15 and name HD1%) ASSI { 1470} (( segid " " and resid 17 and name HA )) ( segid " " and resid 39 and name HD1%) 3.300 3.300 2.700 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.21963E-02 ppm1 4.483 ppm2 0.995 CV 1 OR { 1470} (( segid " " and resid 17 and name HA )) ( segid " " and resid 23 and name HG2%) OR { 1470} (( segid " " and resid 17 and name HA )) ( segid " " and resid 39 and name HD2%) ASSI { 1471} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.900 1.100 1.100 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.27043E-02 ppm1 4.429 ppm2 2.114 CV 1 OR { 1471} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HG3 )) OR { 1471} (( segid " " and resid 47 and name HA )) (( segid " " and resid 44 and name HG2 )) ASSI { 1475} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) 1.700 0.400 0.500 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.68239E-01 ppm1 4.286 ppm2 2.116 CV 1 OR { 1475} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB2 )) ASSI { 1484} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG2 )) 2.500 0.800 0.800 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.78347E-02 ppm1 4.284 ppm2 2.312 CV 1 OR { 1484} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG2 )) OR { 1484} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG3 )) OR { 1484} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG3 )) ASSI { 1485} (( segid " " and resid 21 and name HA )) ( segid " " and resid 31 and name HG2%) 5.100 3.300 0.900 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.10969E-03 ppm1 4.292 ppm2 1.318 CV 1 OR { 1485} (( segid " " and resid 21 and name HA )) (( segid " " and resid 19 and name HB3 )) OR { 1485} (( segid " " and resid 7 and name HA )) (( segid " " and resid 39 and name HB3 )) ASSI { 1495} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG3 )) 3.500 1.500 1.500 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.16125E-02 ppm1 3.821 ppm2 1.341 CV 1 OR { 1495} (( segid " " and resid 79 and name HA )) (( segid " " and resid 82 and name HG3 )) ASSI { 1497} (( segid " " and resid 79 and name HA )) ( segid " " and resid 86 and name HG2%) 3.500 1.500 1.500 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.15796E-02 ppm1 3.825 ppm2 0.785 CV 1 OR { 1497} (( segid " " and resid 79 and name HA )) ( segid " " and resid 76 and name HD1%) OR { 1497} (( segid " " and resid 79 and name HA )) ( segid " " and resid 58 and name HD1%) ASSI { 1500} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.900 1.000 1.000 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.21634E-02 ppm1 4.633 ppm2 2.002 CV 1 OR { 1500} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB3 )) OR { 1500} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB3 )) ASSI { 1501} (( segid " " and resid 33 and name HA )) ( segid " " and resid 31 and name HG2%) 3.400 1.500 1.500 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.17136E-02 ppm1 4.548 ppm2 1.288 CV 1 OR { 1501} (( segid " " and resid 33 and name HA )) (( segid " " and resid 36 and name HB3 )) ASSI { 1505} (( segid " " and resid 12 and name HA )) ( segid " " and resid 19 and name HD1%) 4.700 2.700 1.300 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.40438E-03 ppm1 4.640 ppm2 0.772 CV 1 OR { 1505} (( segid " " and resid 12 and name HA )) ( segid " " and resid 86 and name HG2%) ASSI { 1508} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) 3.400 1.400 1.400 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.95031E-03 ppm1 4.540 ppm2 2.148 CV 1 OR { 1508} (( segid " " and resid 33 and name HA )) (( segid " " and resid 45 and name HG3 )) ASSI { 1511} (( segid " " and resid 35 and name HA )) ( segid " " and resid 30 and name HD1%) 2.900 1.000 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.26538E-02 ppm1 4.001 ppm2 0.835 CV 1 OR { 1511} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HD1%) ASSI { 1520} (( segid " " and resid 76 and name HA )) ( segid " " and resid 78 and name HB% ) 4.000 2.000 2.000 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.85426E-03 ppm1 3.713 ppm2 1.476 CV 1 OR { 1520} (( segid " " and resid 76 and name HA )) ( segid " " and resid 91 and name HB% ) ASSI { 1524} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HG2 )) 3.000 1.100 1.100 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.29065E-02 ppm1 3.715 ppm2 1.887 CV 1 OR { 1524} (( segid " " and resid 76 and name HA )) (( segid " " and resid 94 and name HB )) ASSI { 1535} (( segid " " and resid 16 and name HA )) ( segid " " and resid 19 and name HD2%) 3.400 1.400 1.400 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.24389E-02 ppm1 3.572 ppm2 0.634 CV 1 OR { 1535} (( segid " " and resid 16 and name HA )) ( segid " " and resid 16 and name HD2%) ASSI { 1536} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HB2 )) 2.600 0.900 0.900 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.34625E-02 ppm1 3.570 ppm2 1.865 CV 1 OR { 1536} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG )) ASSI { 1537} (( segid " " and resid 16 and name HA )) ( segid " " and resid 52 and name HD2%) 3.800 1.800 1.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.22822E-02 ppm1 3.571 ppm2 0.921 CV 1 OR { 1537} (( segid " " and resid 16 and name HA )) ( segid " " and resid 52 and name HD1%) OR { 1537} (( segid " " and resid 16 and name HA )) ( segid " " and resid 94 and name HG2%) ASSI { 1540} (( segid " " and resid 59 and name HA )) ( segid " " and resid 52 and name HD1%) 2.700 2.700 3.300 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.44988E-02 ppm1 3.905 ppm2 0.932 CV 1 OR { 1540} (( segid " " and resid 59 and name HA )) ( segid " " and resid 94 and name HG2%) ASSI { 1541} (( segid " " and resid 59 and name HA )) ( segid " " and resid 16 and name HD1%) 3.100 1.200 1.200 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.15468E-02 ppm1 3.905 ppm2 0.567 CV 1 OR { 1541} (( segid " " and resid 59 and name HA )) ( segid " " and resid 62 and name HD1%) ASSI { 1544} (( segid " " and resid 59 and name HA )) (( segid " " and resid 62 and name HG13)) 3.500 1.500 1.500 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.12763E-02 ppm1 3.901 ppm2 0.800 CV 1 OR { 1544} (( segid " " and resid 59 and name HA )) ( segid " " and resid 19 and name HD1%) ASSI { 1545} (( segid " " and resid 59 and name HA )) (( segid " " and resid 16 and name HB3 )) 2.800 1.000 1.000 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.20801E-02 ppm1 3.909 ppm2 1.225 CV 1 OR { 1545} (( segid " " and resid 59 and name HA )) (( segid " " and resid 62 and name HB )) ASSI { 1555} (( segid " " and resid 15 and name HA )) ( segid " " and resid 35 and name HD1%) 3.600 1.600 1.600 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.13446E-02 ppm1 4.062 ppm2 0.827 CV 1 OR { 1555} (( segid " " and resid 15 and name HA )) ( segid " " and resid 30 and name HD1%) ASSI { 1558} (( segid " " and resid 67 and name HA )) (( segid " " and resid 72 and name HG )) 2.000 2.000 4.000 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.74304E-01 ppm1 4.090 ppm2 1.236 CV 1 OR { 1558} (( segid " " and resid 15 and name HA )) ( segid " " and resid 12 and name HD1%) OR { 1558} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HG )) ASSI { 1559} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB3 )) 2.000 0.500 0.500 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.14861E-01 ppm1 4.099 ppm2 1.585 CV 1 OR { 1559} (( segid " " and resid 15 and name HA )) ( segid " " and resid 18 and name HB% ) OR { 1559} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HG )) ASSI { 1560} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB2 )) 2.700 0.900 0.900 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.36394E-02 ppm1 4.097 ppm2 2.480 CV 1 OR { 1560} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG3 )) ASSI { 1561} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB3 )) 2.400 0.700 0.700 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.64449E-02 ppm1 4.099 ppm2 1.994 CV 1 OR { 1561} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB3 )) ASSI { 1563} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.700 0.900 0.900 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.64701E-02 ppm1 4.101 ppm2 2.276 CV 1 OR { 1563} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG3 )) ASSI { 1574} (( segid " " and resid 90 and name HA )) ( segid " " and resid 12 and name HD1%) 3.600 1.600 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.15190E-02 ppm1 3.939 ppm2 1.280 CV 1 OR { 1574} (( segid " " and resid 90 and name HA )) ( segid " " and resid 93 and name HG2%) ASSI { 1590} (( segid " " and resid 60 and name HA )) ( segid " " and resid 63 and name HB% ) 2.800 1.000 1.000 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.43724E-02 ppm1 3.999 ppm2 1.421 CV 1 OR { 1590} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG3 )) OR { 1590} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG2 )) OR { 1590} (( segid " " and resid 96 and name HA )) (( segid " " and resid 99 and name HD2 )) ASSI { 1592} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HG2 )) 2.700 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.35131E-02 ppm1 4.025 ppm2 1.690 CV 1 OR { 1592} (( segid " " and resid 96 and name HA )) (( segid " " and resid 99 and name HB3 )) OR { 1592} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HD2 )) ASSI { 1593} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HD2 )) 3.200 1.200 1.200 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.37911E-02 ppm1 4.026 ppm2 1.790 CV 1 OR { 1593} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HD3 )) OR { 1593} (( segid " " and resid 96 and name HA )) (( segid " " and resid 99 and name HB2 )) ASSI { 1594} (( segid " " and resid 96 and name HA )) (( segid " " and resid 97 and name HA )) 3.700 1.700 1.700 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.94527E-03 ppm1 4.029 ppm2 4.371 CV 1 OR { 1594} (( segid " " and resid 96 and name HA )) (( segid " " and resid 98 and name HA )) ASSI { 1600} (( segid " " and resid 98 and name HA )) (( segid " " and resid 102 and name HE3 )) 2.300 2.300 3.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.18349E-01 ppm1 4.348 ppm2 2.909 CV 1 OR { 1600} (( segid " " and resid 43 and name HA )) (( segid " " and resid 51 and name HB3 )) ASSI { 1603} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 5.000 3.200 1.000 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.80624E-04 ppm1 4.545 ppm2 3.392 CV 1 OR { 1603} (( segid " " and resid 69 and name HA )) (( segid " " and resid 98 and name HB2 )) ASSI { 1606} (( segid " " and resid 98 and name HA )) (( segid " " and resid 102 and name HD3 )) 4.900 3.100 1.100 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.14204E-03 ppm1 4.361 ppm2 1.416 CV 1 OR { 1606} (( segid " " and resid 98 and name HA )) (( segid " " and resid 102 and name HD2 )) OR { 1606} (( segid " " and resid 98 and name HA )) (( segid " " and resid 99 and name HD2 )) ASSI { 1607} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB3 )) 2.900 1.000 1.000 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.26032E-02 ppm1 4.282 ppm2 3.880 CV 1 OR { 1607} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB3 )) OR { 1607} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB2 )) OR { 1607} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) ASSI { 1609} (( segid " " and resid 56 and name HA )) ( segid " " and resid 19 and name HD2%) 5.000 3.200 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.10666E-03 ppm1 3.753 ppm2 0.604 CV 1 OR { 1609} (( segid " " and resid 56 and name HA )) (( segid " " and resid 52 and name HB3 )) ASSI { 1614} (( segid " " and resid 56 and name HA )) ( segid " " and resid 58 and name HD1%) 6.000 5.100 0.000 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.23530E-04 ppm1 3.749 ppm2 0.773 CV 1 OR { 1614} (( segid " " and resid 56 and name HA )) ( segid " " and resid 19 and name HD1%) ASSI { 1617} (( segid " " and resid 56 and name HA )) (( segid " " and resid 59 and name HB3 )) 4.400 2.400 1.600 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.17515E-03 ppm1 3.754 ppm2 1.547 CV 1 OR { 1617} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HG2 )) ASSI { 1619} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HB3 )) 6.000 4.500 0.000 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.79865E-04 ppm1 4.544 ppm2 1.466 CV 1 OR { 1619} (( segid " " and resid 69 and name HA )) (( segid " " and resid 102 and name HD2 )) ASSI { 1621} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HB2 )) 5.400 3.700 0.600 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.11727E-03 ppm1 2.766 ppm2 2.095 CV 1 OR { 1621} (( segid " " and resid 36 and name HA )) (( segid " " and resid 39 and name HB2 )) OR { 1621} (( segid " " and resid 36 and name HA )) (( segid " " and resid 40 and name HB3 )) OR { 1621} (( segid " " and resid 36 and name HA )) (( segid " " and resid 45 and name HG3 )) OR { 1621} (( segid " " and resid 36 and name HA )) (( segid " " and resid 45 and name HB3 )) ASSI { 1631} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HB2 )) 4.400 2.400 1.600 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.18576E-03 ppm1 4.547 ppm2 2.191 CV 1 OR { 1631} (( segid " " and resid 69 and name HA )) (( segid " " and resid 73 and name HB2 )) ASSI { 1638} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HB3 )) 3.000 1.200 1.200 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.28560E-02 ppm1 4.240 ppm2 1.923 CV 1 OR { 1638} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HB3 )) OR { 1638} (( segid " " and resid 48 and name HA )) (( segid " " and resid 50 and name HB3 )) OR { 1638} (( segid " " and resid 64 and name HA )) (( segid " " and resid 60 and name HB2 )) OR { 1638} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HB2 )) OR { 1638} (( segid " " and resid 64 and name HA )) (( segid " " and resid 60 and name HB3 )) ASSI { 1642} (( segid " " and resid 48 and name HA )) ( segid " " and resid 52 and name HD2%) 3.000 3.000 3.000 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.25274E-02 ppm1 4.240 ppm2 0.889 CV 1 OR { 1642} (( segid " " and resid 51 and name HA )) ( segid " " and resid 52 and name HD2%) ASSI { 1645} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HB2 )) 3.900 1.900 1.900 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.74055E-03 ppm1 4.242 ppm2 1.510 CV 1 OR { 1645} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HB2 )) OR { 1645} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HG2 )) ASSI { 1646} (( segid " " and resid 51 and name HA )) ( segid " " and resid 53 and name HB% ) 3.700 1.700 1.700 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.87193E-03 ppm1 4.231 ppm2 1.413 CV 1 OR { 1646} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HG )) OR { 1646} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HG )) ASSI { 1647} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HG3 )) 2.600 2.600 3.400 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.59647E-02 ppm1 4.227 ppm2 1.277 CV 1 OR { 1647} (( segid " " and resid 51 and name HA )) (( segid " " and resid 55 and name HB3 )) OR { 1647} (( segid " " and resid 51 and name HA )) ( segid " " and resid 12 and name HD1%) OR { 1647} (( segid " " and resid 48 and name HA )) (( segid " " and resid 55 and name HB3 )) ASSI { 1651} (( segid " " and resid 97 and name HA )) ( segid " " and resid 72 and name HD1%) 2.700 2.700 3.300 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.91236E-02 ppm1 4.373 ppm2 1.681 CV 1 OR { 1651} (( segid " " and resid 97 and name HA )) (( segid " " and resid 96 and name HG2 )) ASSI { 1657} (( segid " " and resid 97 and name HA )) (( segid " " and resid 96 and name HD2 )) 4.600 2.600 1.400 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.38669E-03 ppm1 4.379 ppm2 1.765 CV 1 OR { 1657} (( segid " " and resid 97 and name HA )) (( segid " " and resid 96 and name HD3 )) OR { 1657} (( segid " " and resid 97 and name HA )) (( segid " " and resid 99 and name HB2 )) OR { 1657} (( segid " " and resid 97 and name HA )) (( segid " " and resid 58 and name HG12)) ASSI { 1664} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) 2.100 0.500 0.500 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.16706E-01 ppm1 3.772 ppm2 3.956 CV 1 OR { 1664} (( segid " " and resid 37 and name HA )) (( segid " " and resid 41 and name HA )) OR { 1664} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB3 )) ASSI { 1674} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB3 )) 4.500 2.600 1.500 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.62427E-03 ppm1 4.113 ppm2 2.015 CV 1 OR { 1674} (( segid " " and resid 13 and name HA )) (( segid " " and resid 94 and name HG13)) OR { 1674} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 1678} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 96 and name HB2 )) 4.600 2.700 1.400 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.21003E-03 ppm1 4.032 ppm2 2.050 CV 1 OR { 1678} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 96 and name HB2 )) OR { 1678} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 96 and name HB3 )) OR { 1678} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 96 and name HB2 )) OR { 1678} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 96 and name HB3 )) OR { 1678} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 96 and name HB2 )) OR { 1678} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 96 and name HB3 )) OR { 1678} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 96 and name HB3 )) ASSI { 1687} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 34 and name HB2 )) 3.700 1.700 1.700 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.32098E-03 ppm1 3.968 ppm2 1.763 CV 1 OR { 1687} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HB2 )) OR { 1687} (( segid " " and resid 61 and name HA )) (( segid " " and resid 58 and name HG12)) OR { 1687} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 59 and name HG )) OR { 1687} (( segid " " and resid 61 and name HA )) (( segid " " and resid 59 and name HB2 )) ASSI { 1690} (( segid " " and resid 61 and name HA )) (( segid " " and resid 60 and name HG3 )) 3.700 1.700 1.700 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.87448E-03 ppm1 3.962 ppm2 1.433 CV 1 OR { 1690} (( segid " " and resid 64 and name HB2 )) ( segid " " and resid 63 and name HB% ) OR { 1690} (( segid " " and resid 64 and name HB3 )) ( segid " " and resid 63 and name HB% ) OR { 1690} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 60 and name HG2 )) OR { 1690} (( segid " " and resid 61 and name HA )) (( segid " " and resid 60 and name HG2 )) OR { 1690} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 60 and name HG2 )) ASSI { 1691} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 36 and name HB2 )) 4.000 2.000 2.000 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.81128E-03 ppm1 3.962 ppm2 1.543 CV 1 OR { 1691} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 36 and name HB2 )) OR { 1691} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 34 and name HG )) OR { 1691} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HG )) ASSI { 1695} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 16 and name HB3 )) 3.200 3.200 2.800 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.21053E-02 ppm1 3.360 ppm2 1.268 CV 1 OR { 1695} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 16 and name HB3 )) OR { 1695} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 76 and name HB2 )) ASSI { 1708} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HD1%) 3.600 1.600 1.600 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.12409E-02 ppm1 3.875 ppm2 0.788 CV 1 OR { 1708} (( segid " " and resid 58 and name HA )) (( segid " " and resid 62 and name HG13)) ASSI { 1712} (( segid " " and resid 58 and name HA )) (( segid " " and resid 16 and name HB3 )) 3.300 3.300 2.700 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 3.875 ppm2 1.278 CV 1 OR { 1712} (( segid " " and resid 58 and name HA )) (( segid " " and resid 76 and name HB2 )) ASSI { 1732} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) 3.300 1.400 1.400 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.23581E-02 ppm1 4.314 ppm2 2.049 CV 1 OR { 1732} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HB3 )) ASSI { 1735} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HD2 )) 2.800 1.000 1.000 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.47010E-02 ppm1 4.315 ppm2 3.857 CV 1 OR { 1735} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HA1 )) ASSI { 1738} (( segid " " and resid 93 and name HA )) (( segid " " and resid 96 and name HG2 )) 3.600 1.600 1.600 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.11626E-02 ppm1 3.745 ppm2 1.654 CV 1 OR { 1738} (( segid " " and resid 93 and name HA )) ( segid " " and resid 92 and name HB% ) ASSI { 1755} (( segid " " and resid 77 and name HB )) ( segid " " and resid 74 and name HB% ) 3.400 1.500 1.500 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.69253E-03 ppm1 4.298 ppm2 1.588 CV 1 OR { 1755} (( segid " " and resid 77 and name HB )) (( segid " " and resid 81 and name HG2 )) ASSI { 1764} (( segid " " and resid 80 and name HB )) (( segid " " and resid 77 and name HA )) 3.400 1.400 1.400 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.23808E-02 ppm1 4.306 ppm2 3.873 CV 1 OR { 1764} (( segid " " and resid 80 and name HB )) (( segid " " and resid 91 and name HA )) ASSI { 37} (( segid " " and resid 14 and name HN )) (( segid " " and resid 11 and name HB3 )) 4.800 2.900 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.23634E-03 ppm1 8.118 ppm2 1.616 CV 1 OR { 37} (( segid " " and resid 14 and name HN )) (( segid " " and resid 39 and name HG )) OR { 37} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HG )) ASSI { 38} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HA )) 3.600 1.600 1.600 peak 38 spectrum 1 weight 0.10000E+01 volume 0.60187E-03 ppm1 8.113 ppm2 4.481 CV 1 OR { 38} (( segid " " and resid 14 and name HN )) (( segid " " and resid 39 and name HA )) OR { 38} (( segid " " and resid 14 and name HN )) (( segid " " and resid 17 and name HA )) ASSI { 39} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HB3 )) 3.900 1.900 1.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.12100E-02 ppm1 8.112 ppm2 1.982 CV 1 OR { 39} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HB3 )) OR { 39} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 42} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA2 )) 2.400 0.700 0.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.54200E-02 ppm1 8.112 ppm2 3.989 CV 1 OR { 42} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB3 )) ASSI { 43} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 3.000 1.100 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.20104E-02 ppm1 8.111 ppm2 4.089 CV 1 OR { 43} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 64} (( segid " " and resid 8 and name HN )) (( segid " " and resid 11 and name HG2 )) 3.800 1.800 1.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.52625E-03 ppm1 8.472 ppm2 2.027 CV 1 OR { 64} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB3 )) ASSI { 67} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HB2 )) 4.700 2.700 1.300 peak 67 spectrum 1 weight 0.10000E+01 volume 0.37184E-03 ppm1 8.516 ppm2 2.005 CV 1 OR { 67} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HB3 )) OR { 67} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HB3 )) ASSI { 68} (( segid " " and resid 9 and name HN )) ( segid " " and resid 93 and name HG2%) 4.100 2.100 1.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.60187E-03 ppm1 8.522 ppm2 1.276 CV 1 OR { 68} (( segid " " and resid 9 and name HN )) ( segid " " and resid 12 and name HD1%) ASSI { 79} (( segid " " and resid 37 and name HN )) (( segid " " and resid 45 and name HG3 )) 3.200 1.300 1.300 peak 79 spectrum 1 weight 0.10000E+01 volume 0.26659E-02 ppm1 8.304 ppm2 2.113 CV 1 OR { 79} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HB2 )) OR { 79} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HB3 )) ASSI { 86} (( segid " " and resid 37 and name HN )) ( segid " " and resid 34 and name HD1%) 4.000 2.000 2.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.59872E-03 ppm1 8.310 ppm2 0.908 CV 1 OR { 86} (( segid " " and resid 37 and name HN )) ( segid " " and resid 34 and name HD2%) OR { 86} (( segid " " and resid 37 and name HN )) ( segid " " and resid 35 and name HD2%) ASSI { 89} (( segid " " and resid 38 and name HE22)) (( segid " " and resid 37 and name HB2 )) 4.000 2.000 2.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.14306E-03 ppm1 7.305 ppm2 3.966 CV 1 OR { 89} (( segid " " and resid 38 and name HE22)) (( segid " " and resid 37 and name HB3 )) OR { 89} (( segid " " and resid 38 and name HE22)) (( segid " " and resid 29 and name HA2 )) OR { 89} (( segid " " and resid 38 and name HE22)) (( segid " " and resid 29 and name HA1 )) ASSI { 104} (( segid " " and resid 21 and name HE22)) (( segid " " and resid 45 and name HA )) 4.700 2.800 1.300 peak 104 spectrum 1 weight 0.10000E+01 volume 0.19222E-03 ppm1 7.465 ppm2 4.236 CV 1 OR { 104} (( segid " " and resid 21 and name HE22)) (( segid " " and resid 30 and name HA )) ASSI { 106} (( segid " " and resid 21 and name HE21)) (( segid " " and resid 32 and name HB3 )) 4.200 2.200 1.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.44116E-03 ppm1 6.857 ppm2 2.172 CV 1 OR { 106} (( segid " " and resid 21 and name HE21)) (( segid " " and resid 35 and name HB2 )) ASSI { 108} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HB3 )) 4.100 2.100 1.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.11943E-02 ppm1 7.795 ppm2 1.762 CV 1 OR { 108} (( segid " " and resid 80 and name HN )) (( segid " " and resid 82 and name HB2 )) ASSI { 109} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.900 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.25493E-02 ppm1 7.786 ppm2 4.300 CV 1 OR { 109} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB )) ASSI { 114} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HG2 )) 3.800 1.800 1.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.10273E-02 ppm1 7.783 ppm2 1.487 CV 1 OR { 114} (( segid " " and resid 80 and name HN )) (( segid " " and resid 82 and name HG2 )) OR { 114} (( segid " " and resid 80 and name HN )) ( segid " " and resid 78 and name HB% ) OR { 114} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HG3 )) ASSI { 116} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 2.700 0.900 0.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.28171E-02 ppm1 7.782 ppm2 3.837 CV 1 OR { 116} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) ASSI { 119} (( segid " " and resid 80 and name HN )) (( segid " " and resid 86 and name HG13)) 3.500 1.600 1.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.17332E-02 ppm1 7.783 ppm2 1.307 CV 1 OR { 119} (( segid " " and resid 80 and name HN )) (( segid " " and resid 82 and name HG3 )) OR { 119} (( segid " " and resid 100 and name HN )) (( segid " " and resid 102 and name HB3 )) ASSI { 125} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HA )) 3.600 1.600 1.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.69958E-03 ppm1 7.757 ppm2 4.366 CV 1 OR { 125} (( segid " " and resid 100 and name HN )) (( segid " " and resid 97 and name HA )) ASSI { 130} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HN )) 2.400 0.700 0.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.60502E-02 ppm1 7.655 ppm2 7.829 CV 1 OR { 130} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HN )) ASSI { 132} (( segid " " and resid 103 and name HN )) ( segid " " and resid 105 and name HD1%) 3.500 1.500 1.500 peak 132 spectrum 1 weight 0.10000E+01 volume 0.91068E-03 ppm1 7.655 ppm2 0.843 CV 1 OR { 132} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HG2 )) ASSI { 140} (( segid " " and resid 103 and name HN )) (( segid " " and resid 105 and name HB )) 3.600 1.600 1.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.79724E-03 ppm1 7.659 ppm2 1.855 CV 1 OR { 140} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HB2 )) ASSI { 146} (( segid " " and resid 86 and name HN )) (( segid " " and resid 82 and name HB2 )) 4.400 2.400 1.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.17647E-03 ppm1 7.316 ppm2 1.728 CV 1 OR { 146} (( segid " " and resid 86 and name HN )) (( segid " " and resid 55 and name HG3 )) ASSI { 160} (( segid " " and resid 86 and name HN )) (( segid " " and resid 82 and name HG2 )) 4.500 2.500 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.28550E-03 ppm1 7.323 ppm2 1.441 CV 1 OR { 160} (( segid " " and resid 86 and name HN )) ( segid " " and resid 91 and name HB% ) ASSI { 186} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 94 and name HB )) 2.900 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.22468E-02 ppm1 6.170 ppm2 1.903 CV 1 OR { 186} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 79 and name HG2 )) ASSI { 187} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 55 and name HG3 )) 2.900 2.900 3.100 peak 187 spectrum 1 weight 0.10000E+01 volume 0.39075E-02 ppm1 6.169 ppm2 1.744 CV 1 OR { 187} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 55 and name HB2 )) OR { 187} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 82 and name HB2 )) ASSI { 188} (( segid " " and resid 79 and name HE21)) ( segid " " and resid 58 and name HD1%) 3.900 1.900 1.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.55776E-03 ppm1 6.171 ppm2 0.761 CV 1 OR { 188} (( segid " " and resid 79 and name HE21)) ( segid " " and resid 86 and name HG2%) ASSI { 189} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 79 and name HG2 )) 3.400 1.400 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 6.878 ppm2 1.891 CV 1 OR { 189} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 94 and name HB )) ASSI { 191} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 79 and name HG3 )) 3.000 1.100 1.100 peak 191 spectrum 1 weight 0.10000E+01 volume 0.17615E-02 ppm1 6.172 ppm2 1.359 CV 1 OR { 191} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 86 and name HG13)) ASSI { 192} (( segid " " and resid 79 and name HE21)) ( segid " " and resid 91 and name HB% ) 3.500 1.500 1.500 peak 192 spectrum 1 weight 0.10000E+01 volume 0.13424E-02 ppm1 6.170 ppm2 1.492 CV 1 OR { 192} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 82 and name HG2 )) ASSI { 207} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 79 and name HG3 )) 3.900 1.900 1.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.85715E-03 ppm1 6.873 ppm2 1.356 CV 1 OR { 207} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 86 and name HG13)) ASSI { 209} (( segid " " and resid 79 and name HE22)) ( segid " " and resid 91 and name HB% ) 4.200 2.200 1.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.59557E-03 ppm1 6.879 ppm2 1.483 CV 1 OR { 209} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 82 and name HG2 )) ASSI { 212} (( segid " " and resid 95 and name HN )) ( segid " " and resid 80 and name HG2%) 2.900 2.900 3.100 peak 212 spectrum 1 weight 0.10000E+01 volume 0.12415E-02 ppm1 8.674 ppm2 1.231 CV 1 OR { 212} (( segid " " and resid 95 and name HN )) (( segid " " and resid 72 and name HG )) OR { 212} (( segid " " and resid 95 and name HN )) ( segid " " and resid 103 and name HG2%) ASSI { 217} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG )) 3.700 1.700 1.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.84452E-03 ppm1 8.232 ppm2 1.633 CV 1 OR { 217} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HB3 )) OR { 217} (( segid " " and resid 13 and name HN )) (( segid " " and resid 15 and name HG )) ASSI { 248} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HB2 )) 3.700 1.700 1.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.10840E-02 ppm1 7.820 ppm2 1.853 CV 1 OR { 248} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG )) ASSI { 258} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB3 )) 2.500 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.73740E-02 ppm1 9.759 ppm2 2.096 CV 1 OR { 258} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) OR { 258} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HG2 )) OR { 258} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HB2 )) ASSI { 259} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG2 )) 3.700 1.700 1.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.18056E-02 ppm1 9.758 ppm2 2.302 CV 1 OR { 259} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HG2 )) ASSI { 263} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HB3 )) 3.900 1.900 1.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.15976E-02 ppm1 9.759 ppm2 1.997 CV 1 OR { 263} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HB3 )) ASSI { 264} (( segid " " and resid 17 and name HN )) ( segid " " and resid 39 and name HD1%) 3.200 1.300 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.24359E-02 ppm1 7.821 ppm2 0.966 CV 1 OR { 264} (( segid " " and resid 17 and name HN )) ( segid " " and resid 39 and name HD2%) OR { 264} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HD2%) ASSI { 270} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HE22)) 4.600 2.600 1.400 peak 270 spectrum 1 weight 0.10000E+01 volume 0.39705E-03 ppm1 7.894 ppm2 6.876 CV 1 OR { 270} (( segid " " and resid 79 and name HN )) ( segid " " and resid 75 and name HE% ) ASSI { 273} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HB )) 4.400 2.400 1.600 peak 273 spectrum 1 weight 0.10000E+01 volume 0.51049E-03 ppm1 7.883 ppm2 4.289 CV 1 OR { 273} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HB )) ASSI { 277} (( segid " " and resid 79 and name HN )) ( segid " " and resid 76 and name HD1%) 3.700 1.700 1.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.81934E-03 ppm1 7.887 ppm2 0.780 CV 1 OR { 277} (( segid " " and resid 79 and name HN )) ( segid " " and resid 58 and name HD1%) ASSI { 281} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 2.400 0.700 0.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.46638E-02 ppm1 7.883 ppm2 7.767 CV 1 OR { 281} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) ASSI { 282} (( segid " " and resid 79 and name HN )) ( segid " " and resid 80 and name HG2%) 3.300 1.400 1.400 peak 282 spectrum 1 weight 0.10000E+01 volume 0.13141E-02 ppm1 7.884 ppm2 1.230 CV 1 OR { 282} (( segid " " and resid 79 and name HN )) ( segid " " and resid 77 and name HG2%) ASSI { 289} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HB2 )) 4.200 2.200 1.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.51049E-03 ppm1 8.438 ppm2 3.034 CV 1 OR { 289} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HE2 )) OR { 289} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HE3 )) ASSI { 290} (( segid " " and resid 69 and name HN )) ( segid " " and resid 69 and name HD% ) 3.300 1.400 1.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.20892E-02 ppm1 8.441 ppm2 7.351 CV 1 OR { 290} (( segid " " and resid 99 and name HN )) ( segid " " and resid 97 and name HD% ) ASSI { 293} (( segid " " and resid 31 and name HN )) ( segid " " and resid 34 and name HD1%) 3.400 1.500 1.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.11155E-02 ppm1 7.506 ppm2 0.903 CV 1 OR { 293} (( segid " " and resid 31 and name HN )) ( segid " " and resid 34 and name HD2%) OR { 293} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HG2%) ASSI { 298} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HG2%) 3.000 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.14338E-02 ppm1 7.493 ppm2 1.264 CV 1 OR { 298} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG13)) ASSI { 299} (( segid " " and resid 99 and name HN )) ( segid " " and resid 97 and name HE% ) 3.100 3.100 2.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.84768E-03 ppm1 8.436 ppm2 7.227 CV 1 OR { 299} (( segid " " and resid 69 and name HN )) ( segid " " and resid 97 and name HE% ) ASSI { 301} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 2.600 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.61763E-02 ppm1 8.443 ppm2 3.400 CV 1 OR { 301} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB3 )) OR { 301} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB2 )) ASSI { 303} (( segid " " and resid 69 and name HN )) ( segid " " and resid 72 and name HD2%) 4.400 2.400 1.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.31386E-03 ppm1 8.437 ppm2 0.859 CV 1 OR { 303} (( segid " " and resid 99 and name HN )) (( segid " " and resid 102 and name HG2 )) OR { 303} (( segid " " and resid 99 and name HN )) ( segid " " and resid 105 and name HD1%) ASSI { 312} (( segid " " and resid 99 and name HN )) ( segid " " and resid 103 and name HG2%) 3.800 1.800 1.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.76890E-03 ppm1 8.444 ppm2 1.215 CV 1 OR { 312} (( segid " " and resid 69 and name HN )) (( segid " " and resid 72 and name HG )) ASSI { 316} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 3.500 1.600 1.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.74371E-03 ppm1 8.447 ppm2 4.349 CV 1 OR { 316} (( segid " " and resid 99 and name HN )) (( segid " " and resid 97 and name HA )) ASSI { 323} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 2.800 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.24768E-02 ppm1 8.446 ppm2 3.842 CV 1 OR { 323} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HB3 )) ASSI { 326} (( segid " " and resid 39 and name HN )) (( segid " " and resid 35 and name HA )) 3.300 1.400 1.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.91384E-03 ppm1 7.951 ppm2 3.990 CV 1 OR { 326} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HA )) OR { 326} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HB3 )) OR { 326} (( segid " " and resid 39 and name HN )) (( segid " " and resid 14 and name HA2 )) ASSI { 327} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG )) 2.900 1.000 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.25966E-02 ppm1 7.954 ppm2 1.617 CV 1 OR { 327} (( segid " " and resid 39 and name HN )) ( segid " " and resid 18 and name HB% ) ASSI { 328} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 2.400 0.700 0.700 peak 328 spectrum 1 weight 0.10000E+01 volume 0.64914E-02 ppm1 7.955 ppm2 2.086 CV 1 OR { 328} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB3 )) ASSI { 332} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG3 )) 3.400 1.400 1.400 peak 332 spectrum 1 weight 0.10000E+01 volume 0.68696E-03 ppm1 7.951 ppm2 2.371 CV 1 OR { 332} (( segid " " and resid 39 and name HN )) (( segid " " and resid 43 and name HB )) OR { 332} (( segid " " and resid 39 and name HN )) (( segid " " and resid 42 and name HG2 )) ASSI { 338} (( segid " " and resid 38 and name HN )) ( segid " " and resid 18 and name HB% ) 3.800 1.800 1.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.92331E-03 ppm1 7.719 ppm2 1.625 CV 1 OR { 338} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HG )) ASSI { 344} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB3 )) 2.900 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.26407E-02 ppm1 7.718 ppm2 3.971 CV 1 OR { 344} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) OR { 344} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 349} (( segid " " and resid 38 and name HN )) ( segid " " and resid 34 and name HD1%) 3.300 1.300 1.300 peak 349 spectrum 1 weight 0.10000E+01 volume 0.15472E-02 ppm1 7.721 ppm2 0.937 CV 1 OR { 349} (( segid " " and resid 38 and name HN )) ( segid " " and resid 34 and name HD2%) OR { 349} (( segid " " and resid 38 and name HN )) ( segid " " and resid 39 and name HD2%) ASSI { 358} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.900 1.100 1.100 peak 358 spectrum 1 weight 0.10000E+01 volume 0.19065E-02 ppm1 8.365 ppm2 2.292 CV 1 OR { 358} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG3 )) ASSI { 359} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.600 0.800 0.800 peak 359 spectrum 1 weight 0.10000E+01 volume 0.32772E-02 ppm1 8.363 ppm2 2.133 CV 1 OR { 359} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB3 )) ASSI { 361} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG2 )) 3.700 1.700 1.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.79408E-03 ppm1 8.369 ppm2 2.470 CV 1 OR { 361} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HG2 )) ASSI { 362} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 3.200 1.300 1.300 peak 362 spectrum 1 weight 0.10000E+01 volume 0.11659E-02 ppm1 8.361 ppm2 4.513 CV 1 OR { 362} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HB )) ASSI { 363} (( segid " " and resid 19 and name HN )) (( segid " " and resid 38 and name HB2 )) 6.000 6.000 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.22909E-04 ppm1 8.470 ppm2 2.118 CV 1 OR { 363} (( segid " " and resid 19 and name HN )) (( segid " " and resid 39 and name HB2 )) OR { 363} (( segid " " and resid 19 and name HN )) (( segid " " and resid 38 and name HB3 )) ASSI { 368} (( segid " " and resid 33 and name HN )) ( segid " " and resid 35 and name HD2%) 3.500 1.500 1.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.15283E-02 ppm1 8.360 ppm2 0.890 CV 1 OR { 368} (( segid " " and resid 33 and name HN )) ( segid " " and resid 34 and name HD2%) OR { 368} (( segid " " and resid 33 and name HN )) ( segid " " and resid 34 and name HD1%) ASSI { 372} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HB2 )) 4.200 2.300 1.800 peak 372 spectrum 1 weight 0.10000E+01 volume 0.80987E-03 ppm1 8.098 ppm2 2.316 CV 1 OR { 372} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HG2 )) ASSI { 376} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB2 )) 2.900 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.28423E-02 ppm1 8.093 ppm2 2.984 CV 1 OR { 376} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB3 )) OR { 376} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HE3 )) ASSI { 378} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB3 )) 3.000 1.100 1.100 peak 378 spectrum 1 weight 0.10000E+01 volume 0.37499E-02 ppm1 8.094 ppm2 1.923 CV 1 OR { 378} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG3 )) OR { 378} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB3 )) ASSI { 381} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 2.600 0.800 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.42856E-02 ppm1 8.092 ppm2 4.200 CV 1 OR { 381} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 385} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HD3 )) 3.700 1.700 1.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.84768E-03 ppm1 8.093 ppm2 3.210 CV 1 OR { 385} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HA )) ASSI { 387} (( segid " " and resid 19 and name HN )) ( segid " " and resid 30 and name HD1%) 3.900 1.900 1.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 8.474 ppm2 0.882 CV 1 OR { 387} (( segid " " and resid 19 and name HN )) ( segid " " and resid 35 and name HD2%) OR { 387} (( segid " " and resid 19 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 387} (( segid " " and resid 19 and name HN )) ( segid " " and resid 59 and name HD2%) ASSI { 390} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB3 )) 2.400 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.56721E-02 ppm1 9.015 ppm2 1.935 CV 1 OR { 390} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG2 )) OR { 390} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG3 )) ASSI { 416} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 2.300 0.700 0.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.75627E-02 ppm1 8.071 ppm2 3.973 CV 1 OR { 416} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA )) ASSI { 423} (( segid " " and resid 61 and name HN )) ( segid " " and resid 62 and name HD1%) 4.400 2.400 1.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.42856E-03 ppm1 8.071 ppm2 0.546 CV 1 OR { 423} (( segid " " and resid 61 and name HN )) ( segid " " and resid 16 and name HD1%) ASSI { 430} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.500 0.800 0.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.34348E-02 ppm1 7.562 ppm2 2.104 CV 1 OR { 430} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HG2 )) OR { 430} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB3 )) OR { 430} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 431} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG3 )) 3.300 1.300 1.300 peak 431 spectrum 1 weight 0.10000E+01 volume 0.16512E-02 ppm1 8.071 ppm2 1.432 CV 1 OR { 431} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG2 )) OR { 431} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HG12)) ASSI { 433} (( segid " " and resid 61 and name HN )) (( segid " " and resid 58 and name HA )) 2.600 0.900 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.40020E-02 ppm1 8.070 ppm2 3.900 CV 1 OR { 433} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HA )) ASSI { 437} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) 1.900 0.500 0.500 peak 437 spectrum 1 weight 0.10000E+01 volume 0.24201E-01 ppm1 7.546 ppm2 1.985 CV 1 OR { 437} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB3 )) OR { 437} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB3 )) ASSI { 441} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HN )) 3.500 1.600 1.600 peak 441 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 7.551 ppm2 8.092 CV 1 OR { 441} (( segid " " and resid 47 and name HN )) (( segid " " and resid 49 and name HN )) ASSI { 452} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HN )) 2.400 0.700 0.700 peak 452 spectrum 1 weight 0.10000E+01 volume 0.49788E-02 ppm1 8.303 ppm2 8.052 CV 1 OR { 452} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) ASSI { 453} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.800 1.000 1.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.30315E-02 ppm1 8.305 ppm2 3.868 CV 1 OR { 453} (( segid " " and resid 60 and name HN )) (( segid " " and resid 57 and name HA1 )) ASSI { 456} (( segid " " and resid 61 and name HN )) ( segid " " and resid 59 and name HD2%) 3.800 1.800 1.800 peak 456 spectrum 1 weight 0.10000E+01 volume 0.81302E-03 ppm1 8.066 ppm2 0.917 CV 1 OR { 456} (( segid " " and resid 61 and name HN )) ( segid " " and resid 59 and name HD1%) OR { 456} (( segid " " and resid 61 and name HN )) ( segid " " and resid 72 and name HD2%) ASSI { 459} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HD2%) 3.200 1.300 1.300 peak 459 spectrum 1 weight 0.10000E+01 volume 0.19758E-02 ppm1 7.836 ppm2 0.878 CV 1 OR { 459} (( segid " " and resid 35 and name HN )) ( segid " " and resid 30 and name HD1%) ASSI { 471} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB3 )) 3.300 1.400 1.400 peak 471 spectrum 1 weight 0.10000E+01 volume 0.27730E-02 ppm1 7.888 ppm2 1.282 CV 1 OR { 471} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HG3 )) ASSI { 476} (( segid " " and resid 55 and name HN )) ( segid " " and resid 19 and name HD2%) 3.500 3.500 2.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.17772E-02 ppm1 7.888 ppm2 0.583 CV 1 OR { 476} (( segid " " and resid 55 and name HN )) ( segid " " and resid 16 and name HD1%) ASSI { 489} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HD2%) 3.700 1.800 1.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 8.608 ppm2 0.928 CV 1 OR { 489} (( segid " " and resid 16 and name HN )) ( segid " " and resid 94 and name HG2%) ASSI { 517} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 2.500 0.800 0.800 peak 517 spectrum 1 weight 0.10000E+01 volume 0.49158E-02 ppm1 7.024 ppm2 4.306 CV 1 OR { 517} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 518} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) 2.800 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.60187E-02 ppm1 7.025 ppm2 1.738 CV 1 OR { 518} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB3 )) ASSI { 525} (( segid " " and resid 102 and name HN )) ( segid " " and resid 105 and name HD1%) 3.100 1.200 1.200 peak 525 spectrum 1 weight 0.10000E+01 volume 0.16544E-02 ppm1 7.813 ppm2 0.848 CV 1 OR { 525} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG2 )) ASSI { 537} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) 2.600 0.900 0.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.27005E-02 ppm1 8.195 ppm2 2.079 CV 1 OR { 537} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB3 )) ASSI { 544} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HA )) 3.300 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.87602E-03 ppm1 8.198 ppm2 3.989 CV 1 OR { 544} (( segid " " and resid 40 and name HN )) (( segid " " and resid 37 and name HB3 )) ASSI { 547} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG )) 3.800 1.800 1.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.82874E-03 ppm1 8.199 ppm2 1.615 CV 1 OR { 547} (( segid " " and resid 40 and name HN )) ( segid " " and resid 18 and name HB% ) OR { 547} (( segid " " and resid 40 and name HN )) (( segid " " and resid 11 and name HB3 )) ASSI { 550} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HB3 )) 4.300 2.300 1.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.35924E-03 ppm1 7.827 ppm2 3.399 CV 1 OR { 550} (( segid " " and resid 102 and name HN )) (( segid " " and resid 98 and name HB2 )) ASSI { 551} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG3 )) 3.600 1.600 1.600 peak 551 spectrum 1 weight 0.10000E+01 volume 0.82243E-03 ppm1 7.830 ppm2 1.032 CV 1 OR { 551} (( segid " " and resid 96 and name HN )) ( segid " " and resid 76 and name HD2%) ASSI { 553} (( segid " " and resid 53 and name HN )) (( segid " " and resid 56 and name HB3 )) 3.900 1.900 1.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.61133E-03 ppm1 7.693 ppm2 1.755 CV 1 OR { 553} (( segid " " and resid 53 and name HN )) (( segid " " and resid 56 and name HB2 )) OR { 553} (( segid " " and resid 53 and name HN )) (( segid " " and resid 55 and name HG3 )) ASSI { 561} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HA )) 3.200 1.300 1.300 peak 561 spectrum 1 weight 0.10000E+01 volume 0.11187E-02 ppm1 7.826 ppm2 3.733 CV 1 OR { 561} (( segid " " and resid 96 and name HN )) (( segid " " and resid 93 and name HA )) ASSI { 563} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HN )) 3.600 1.600 1.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.81618E-03 ppm1 7.823 ppm2 8.437 CV 1 OR { 563} (( segid " " and resid 102 and name HN )) (( segid " " and resid 99 and name HN )) OR { 563} (( segid " " and resid 96 and name HN )) (( segid " " and resid 99 and name HN )) ASSI { 566} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.11312E-02 ppm1 7.827 ppm2 4.228 CV 1 OR { 566} (( segid " " and resid 96 and name HN )) (( segid " " and resid 92 and name HA )) ASSI { 567} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 2.500 0.800 0.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.42856E-02 ppm1 7.827 ppm2 4.027 CV 1 OR { 567} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB3 )) OR { 567} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB2 )) ASSI { 573} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.400 0.700 0.700 peak 573 spectrum 1 weight 0.10000E+01 volume 0.59557E-02 ppm1 7.699 ppm2 3.928 CV 1 OR { 573} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) ASSI { 577} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HN )) 3.600 1.600 1.600 peak 577 spectrum 1 weight 0.10000E+01 volume 0.84137E-03 ppm1 9.084 ppm2 7.775 CV 1 OR { 577} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HN )) ASSI { 580} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HB3 )) 3.000 1.100 1.100 peak 580 spectrum 1 weight 0.10000E+01 volume 0.29054E-02 ppm1 9.086 ppm2 1.476 CV 1 OR { 580} (( segid " " and resid 76 and name HN )) ( segid " " and resid 78 and name HB% ) ASSI { 587} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HA )) 3.500 1.500 1.500 peak 587 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 9.083 ppm2 4.295 CV 1 OR { 587} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HB )) ASSI { 589} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HN )) 2.500 0.800 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.39075E-02 ppm1 9.084 ppm2 8.581 CV 1 OR { 589} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) ASSI { 591} (( segid " " and resid 59 and name HN )) (( segid " " and resid 55 and name HA )) 2.900 2.900 3.100 peak 591 spectrum 1 weight 0.10000E+01 volume 0.12888E-02 ppm1 8.029 ppm2 4.201 CV 1 OR { 591} (( segid " " and resid 59 and name HN )) (( segid " " and resid 63 and name HA )) ASSI { 593} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 2.700 0.900 0.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.32772E-02 ppm1 8.033 ppm2 3.893 CV 1 OR { 593} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) ASSI { 601} (( segid " " and resid 90 and name HN )) ( segid " " and resid 87 and name HG2%) 3.400 1.400 1.400 peak 601 spectrum 1 weight 0.10000E+01 volume 0.17615E-02 ppm1 7.712 ppm2 1.300 CV 1 OR { 601} (( segid " " and resid 53 and name HN )) (( segid " " and resid 55 and name HB3 )) ASSI { 613} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG3 )) 3.200 1.300 1.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.20231E-02 ppm1 8.801 ppm2 1.667 CV 1 OR { 613} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) ASSI { 616} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HN )) 2.700 0.900 0.900 peak 616 spectrum 1 weight 0.10000E+01 volume 0.24327E-02 ppm1 8.801 ppm2 7.881 CV 1 OR { 616} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HN )) ASSI { 620} (( segid " " and resid 56 and name HN )) ( segid " " and resid 19 and name HD2%) 3.600 1.700 1.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.11250E-02 ppm1 8.799 ppm2 0.589 CV 1 OR { 620} (( segid " " and resid 56 and name HN )) ( segid " " and resid 16 and name HD1%) ASSI { 630} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HG3 )) 4.800 2.900 1.200 peak 630 spectrum 1 weight 0.10000E+01 volume 0.12037E-03 ppm1 7.281 ppm2 1.472 CV 1 OR { 630} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HG2 )) ASSI { 633} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB3 )) 3.000 1.100 1.100 peak 633 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 7.283 ppm2 1.719 CV 1 OR { 633} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HD2 )) OR { 633} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HB2 )) ASSI { 635} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 2.700 0.900 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.39705E-02 ppm1 7.283 ppm2 4.313 CV 1 OR { 635} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HA )) ASSI { 648} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HG13)) 3.200 1.200 1.200 peak 648 spectrum 1 weight 0.10000E+01 volume 0.30693E-02 ppm1 7.580 ppm2 1.954 CV 1 OR { 648} (( segid " " and resid 93 and name HN )) (( segid " " and resid 12 and name HB3 )) ASSI { 650} (( segid " " and resid 93 and name HN )) (( segid " " and resid 95 and name HN )) 3.700 1.700 1.700 peak 650 spectrum 1 weight 0.10000E+01 volume 0.89181E-03 ppm1 7.584 ppm2 8.682 CV 1 OR { 650} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HN )) ASSI { 668} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 3.000 1.100 1.100 peak 668 spectrum 1 weight 0.10000E+01 volume 0.28959E-02 ppm1 8.306 ppm2 2.154 CV 1 OR { 668} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HB2 )) ASSI { 672} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA )) 3.400 1.400 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.20167E-02 ppm1 8.186 ppm2 3.960 CV 1 OR { 672} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB3 )) OR { 672} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB2 )) ASSI { 673} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.900 1.100 1.100 peak 673 spectrum 1 weight 0.10000E+01 volume 0.27605E-02 ppm1 8.313 ppm2 3.975 CV 1 OR { 673} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB3 )) OR { 673} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB2 )) ASSI { 678} (( segid " " and resid 92 and name HN )) (( segid " " and resid 94 and name HN )) 3.800 1.800 1.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.65859E-03 ppm1 7.839 ppm2 8.432 CV 1 OR { 678} (( segid " " and resid 92 and name HN )) (( segid " " and resid 89 and name HN )) ASSI { 681} (( segid " " and resid 92 and name HN )) ( segid " " and resid 93 and name HG1%) 5.100 3.300 0.900 peak 681 spectrum 1 weight 0.10000E+01 volume 0.19254E-03 ppm1 7.838 ppm2 1.026 CV 1 OR { 681} (( segid " " and resid 92 and name HN )) ( segid " " and resid 76 and name HD2%) ASSI { 682} (( segid " " and resid 92 and name HN )) (( segid " " and resid 88 and name HB2 )) 6.000 6.000 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.60818E-06 ppm1 7.837 ppm2 3.999 CV 1 OR { 682} (( segid " " and resid 92 and name HN )) (( segid " " and resid 88 and name HB3 )) OR { 682} (( segid " " and resid 92 and name HN )) (( segid " " and resid 13 and name HB3 )) OR { 682} (( segid " " and resid 92 and name HN )) (( segid " " and resid 13 and name HB2 )) ASSI { 697} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB3 )) 3.300 1.300 1.300 peak 697 spectrum 1 weight 0.10000E+01 volume 0.17741E-02 ppm1 8.406 ppm2 3.242 CV 1 OR { 697} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HB2 )) ASSI { 702} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HA )) 4.600 2.600 1.400 peak 702 spectrum 1 weight 0.10000E+01 volume 0.40335E-03 ppm1 8.407 ppm2 4.108 CV 1 OR { 702} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 713} (( segid " " and resid 5 and name HN )) ( segid " " and resid 3 and name HB% ) 3.700 1.700 1.700 peak 713 spectrum 1 weight 0.10000E+01 volume 0.50419E-03 ppm1 8.260 ppm2 1.428 CV 1 OR { 713} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HB3 )) ASSI { 734} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 3.400 1.500 1.500 peak 734 spectrum 1 weight 0.10000E+01 volume 0.16166E-02 ppm1 7.841 ppm2 4.230 CV 1 OR { 734} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HA )) ASSI { 736} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HB3 )) 3.200 1.300 1.300 peak 736 spectrum 1 weight 0.10000E+01 volume 0.15756E-02 ppm1 8.303 ppm2 1.944 CV 1 OR { 736} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HG3 )) OR { 736} (( segid " " and resid 52 and name HN )) (( segid " " and resid 54 and name HB3 )) OR { 736} (( segid " " and resid 52 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 746} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG )) 3.400 1.500 1.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.13141E-02 ppm1 8.304 ppm2 1.390 CV 1 OR { 746} (( segid " " and resid 52 and name HN )) ( segid " " and resid 53 and name HB% ) ASSI { 755} (( segid " " and resid 97 and name HN )) ( segid " " and resid 94 and name HG2%) 4.100 2.100 1.900 peak 755 spectrum 1 weight 0.10000E+01 volume 0.96112E-03 ppm1 8.566 ppm2 0.978 CV 1 OR { 755} (( segid " " and resid 97 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 760} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 3.300 1.400 1.400 peak 760 spectrum 1 weight 0.10000E+01 volume 0.81934E-03 ppm1 8.569 ppm2 4.023 CV 1 OR { 760} (( segid " " and resid 97 and name HN )) (( segid " " and resid 95 and name HB3 )) ASSI { 775} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HN )) 4.000 2.000 2.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.49788E-03 ppm1 8.699 ppm2 8.440 CV 1 OR { 775} (( segid " " and resid 91 and name HN )) (( segid " " and resid 94 and name HN )) ASSI { 792} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HN )) 4.300 2.300 1.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.40650E-03 ppm1 8.824 ppm2 8.411 CV 1 OR { 792} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 798} (( segid " " and resid 91 and name HN )) ( segid " " and resid 94 and name HD1%) 4.000 2.000 2.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.99894E-03 ppm1 8.692 ppm2 0.798 CV 1 OR { 798} (( segid " " and resid 91 and name HN )) ( segid " " and resid 76 and name HD1%) OR { 798} (( segid " " and resid 91 and name HN )) ( segid " " and resid 86 and name HG2%) ASSI { 801} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.600 1.600 1.600 peak 801 spectrum 1 weight 0.10000E+01 volume 0.90437E-03 ppm1 8.822 ppm2 4.094 CV 1 OR { 801} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 803} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB2 )) 3.100 1.200 1.200 peak 803 spectrum 1 weight 0.10000E+01 volume 0.17772E-02 ppm1 7.889 ppm2 3.889 CV 1 OR { 803} (( segid " " and resid 101 and name HN )) (( segid " " and resid 99 and name HA )) OR { 803} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB3 )) ASSI { 814} (( segid " " and resid 62 and name HN )) ( segid " " and resid 72 and name HD2%) 2.300 2.300 3.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.13172E-01 ppm1 7.622 ppm2 0.878 CV 1 OR { 814} (( segid " " and resid 62 and name HN )) ( segid " " and resid 59 and name HD2%) ASSI { 819} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG12)) 3.300 1.300 1.300 peak 819 spectrum 1 weight 0.10000E+01 volume 0.33402E-02 ppm1 7.620 ppm2 1.434 CV 1 OR { 819} (( segid " " and resid 62 and name HN )) ( segid " " and resid 63 and name HB% ) ASSI { 837} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HG )) 4.000 2.000 2.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.80987E-03 ppm1 8.610 ppm2 1.228 CV 1 OR { 837} (( segid " " and resid 75 and name HN )) ( segid " " and resid 77 and name HG2%) ASSI { 847} (( segid " " and resid 18 and name HN )) ( segid " " and resid 30 and name HD1%) 3.800 1.800 1.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.12825E-02 ppm1 7.832 ppm2 0.874 CV 1 OR { 847} (( segid " " and resid 18 and name HN )) ( segid " " and resid 35 and name HD1%) ASSI { 853} (( segid " " and resid 48 and name HN )) (( segid " " and resid 36 and name HB3 )) 4.500 2.500 1.500 peak 853 spectrum 1 weight 0.10000E+01 volume 0.13266E-03 ppm1 8.560 ppm2 1.280 CV 1 OR { 853} (( segid " " and resid 48 and name HN )) (( segid " " and resid 36 and name HG3 )) OR { 853} (( segid " " and resid 48 and name HN )) (( segid " " and resid 19 and name HB3 )) OR { 853} (( segid " " and resid 48 and name HN )) (( segid " " and resid 55 and name HB3 )) ASSI { 854} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.400 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.73424E-02 ppm1 8.448 ppm2 4.306 CV 1 OR { 854} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 855} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB3 )) 3.300 1.400 1.400 peak 855 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 8.447 ppm2 1.458 CV 1 OR { 855} (( segid " " and resid 94 and name HN )) ( segid " " and resid 91 and name HB% ) ASSI { 858} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB2 )) 3.000 1.100 1.100 peak 858 spectrum 1 weight 0.10000E+01 volume 0.27384E-02 ppm1 8.447 ppm2 1.591 CV 1 OR { 858} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG )) OR { 858} (( segid " " and resid 89 and name HN )) (( segid " " and resid 90 and name HB3 )) ASSI { 859} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB3 )) 2.700 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.67433E-02 ppm1 8.447 ppm2 2.027 CV 1 OR { 859} (( segid " " and resid 7 and name HN )) (( segid " " and resid 11 and name HG2 )) OR { 859} (( segid " " and resid 94 and name HN )) (( segid " " and resid 12 and name HB3 )) ASSI { 865} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.800 1.000 1.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.24012E-02 ppm1 8.549 ppm2 4.218 CV 1 OR { 865} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 869} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.900 1.100 1.100 peak 869 spectrum 1 weight 0.10000E+01 volume 0.29464E-02 ppm1 8.547 ppm2 2.094 CV 1 OR { 869} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HG3 )) OR { 869} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HB2 )) ASSI { 870} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.600 1.600 1.600 peak 870 spectrum 1 weight 0.10000E+01 volume 0.70899E-03 ppm1 8.551 ppm2 2.300 CV 1 OR { 870} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG3 )) ASSI { 871} (( segid " " and resid 18 and name HN )) ( segid " " and resid 15 and name HD1%) 4.500 2.600 1.500 peak 871 spectrum 1 weight 0.10000E+01 volume 0.33718E-03 ppm1 7.839 ppm2 1.222 CV 1 OR { 871} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HB3 )) ASSI { 872} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG3 )) 3.800 1.800 1.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.85084E-03 ppm1 8.258 ppm2 2.292 CV 1 OR { 872} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG2 )) OR { 872} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HG2 )) ASSI { 876} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB3 )) 3.000 1.100 1.100 peak 876 spectrum 1 weight 0.10000E+01 volume 0.19916E-02 ppm1 6.911 ppm2 3.960 CV 1 OR { 876} (( segid " " and resid 65 and name HN )) (( segid " " and resid 61 and name HA )) OR { 876} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB2 )) ASSI { 877} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HA2 )) 3.500 1.500 1.500 peak 877 spectrum 1 weight 0.10000E+01 volume 0.45692E-03 ppm1 8.256 ppm2 3.985 CV 1 OR { 877} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HA1 )) OR { 877} (( segid " " and resid 6 and name HN )) (( segid " " and resid 8 and name HA2 )) ASSI { 878} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HB3 )) 3.300 1.300 1.300 peak 878 spectrum 1 weight 0.10000E+01 volume 0.37499E-02 ppm1 8.547 ppm2 1.968 CV 1 OR { 878} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB3 )) OR { 878} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HB3 )) ASSI { 881} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 2.500 0.800 0.800 peak 881 spectrum 1 weight 0.10000E+01 volume 0.59242E-02 ppm1 8.259 ppm2 4.294 CV 1 OR { 881} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 885} (( segid " " and resid 6 and name HN )) (( segid " " and resid 11 and name HG2 )) 2.800 2.800 3.200 peak 885 spectrum 1 weight 0.10000E+01 volume 0.34663E-02 ppm1 8.258 ppm2 2.073 CV 1 OR { 885} (( segid " " and resid 6 and name HN )) (( segid " " and resid 40 and name HB3 )) ASSI { 887} (( segid " " and resid 94 and name HN )) ( segid " " and resid 86 and name HD1%) 3.100 1.200 1.200 peak 887 spectrum 1 weight 0.10000E+01 volume 0.34978E-02 ppm1 8.437 ppm2 0.679 CV 1 OR { 887} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HD2%) OR { 887} (( segid " " and resid 94 and name HN )) ( segid " " and resid 16 and name HD2%) ASSI { 888} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HG13)) 2.400 0.700 0.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.31512E-02 ppm1 8.435 ppm2 1.979 CV 1 OR { 888} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB3 )) ASSI { 893} (( segid " " and resid 94 and name HN )) ( segid " " and resid 94 and name HD1%) 3.600 1.600 1.600 peak 893 spectrum 1 weight 0.10000E+01 volume 0.14874E-02 ppm1 8.432 ppm2 0.826 CV 1 OR { 893} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HD1%) ASSI { 904} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG2 )) 4.500 2.600 1.500 peak 904 spectrum 1 weight 0.10000E+01 volume 0.40650E-03 ppm1 8.491 ppm2 1.614 CV 1 OR { 904} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB3 )) ASSI { 906} (( segid " " and resid 89 and name HN )) ( segid " " and resid 87 and name HG2%) 3.300 1.400 1.400 peak 906 spectrum 1 weight 0.10000E+01 volume 0.22436E-02 ppm1 8.438 ppm2 1.276 CV 1 OR { 906} (( segid " " and resid 94 and name HN )) ( segid " " and resid 93 and name HG2%) ASSI { 907} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB3 )) 2.400 0.700 0.700 peak 907 spectrum 1 weight 0.10000E+01 volume 0.92015E-02 ppm1 8.449 ppm2 4.018 CV 1 OR { 907} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB2 )) OR { 907} (( segid " " and resid 94 and name HN )) (( segid " " and resid 95 and name HB3 )) ASSI { 910} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HA1 )) 4.100 2.100 1.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.89497E-03 ppm1 8.449 ppm2 4.135 CV 1 OR { 910} (( segid " " and resid 94 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 944} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG )) 3.800 1.900 1.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.75943E-03 ppm1 7.771 ppm2 1.551 CV 1 OR { 944} (( segid " " and resid 34 and name HN )) ( segid " " and resid 18 and name HB% ) ASSI { 946} (( segid " " and resid 32 and name HN )) ( segid " " and resid 35 and name HD2%) 3.700 1.700 1.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 8.797 ppm2 0.904 CV 1 OR { 946} (( segid " " and resid 32 and name HN )) ( segid " " and resid 34 and name HD1%) ASSI { 957} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB3 )) 2.600 0.900 0.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.39075E-02 ppm1 7.808 ppm2 2.165 CV 1 OR { 957} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) OR { 957} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 962} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HN )) 2.900 1.100 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.28550E-02 ppm1 7.807 ppm2 8.797 CV 1 OR { 962} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HN )) ASSI { 964} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HA )) 3.600 1.600 1.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.20136E-02 ppm1 9.148 ppm2 3.854 CV 1 OR { 964} (( segid " " and resid 98 and name HN )) (( segid " " and resid 100 and name HB3 )) ASSI { 966} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HD1%) 3.600 1.600 1.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.14180E-02 ppm1 7.783 ppm2 0.899 CV 1 OR { 966} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HD2%) OR { 966} (( segid " " and resid 34 and name HN )) ( segid " " and resid 35 and name HD2%) ASSI { 968} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HN )) 3.600 1.600 1.600 peak 968 spectrum 1 weight 0.10000E+01 volume 0.13141E-02 ppm1 9.151 ppm2 7.804 CV 1 OR { 968} (( segid " " and resid 98 and name HN )) (( segid " " and resid 102 and name HN )) ASSI { 972} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.500 0.800 0.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.71214E-02 ppm1 9.153 ppm2 3.396 CV 1 OR { 972} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB3 )) OR { 972} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB3 )) ASSI { 976} (( segid " " and resid 98 and name HN )) ( segid " " and resid 103 and name HG2%) 3.700 3.700 2.300 peak 976 spectrum 1 weight 0.10000E+01 volume 0.11439E-02 ppm1 9.152 ppm2 1.218 CV 1 OR { 976} (( segid " " and resid 98 and name HN )) (( segid " " and resid 72 and name HG )) ASSI { 977} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.700 0.900 0.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.25997E-02 ppm1 9.153 ppm2 4.347 CV 1 OR { 977} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA )) ASSI { 978} (( segid " " and resid 98 and name HN )) ( segid " " and resid 94 and name HG2%) 2.400 2.400 3.600 peak 978 spectrum 1 weight 0.10000E+01 volume 0.30315E-02 ppm1 9.151 ppm2 0.943 CV 1 OR { 978} (( segid " " and resid 98 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 980} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HA )) 3.300 3.300 2.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.71530E-03 ppm1 9.152 ppm2 4.223 CV 1 OR { 980} (( segid " " and resid 98 and name HN )) (( segid " " and resid 101 and name HA )) ASSI { 989} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HN )) 3.800 1.800 1.800 peak 989 spectrum 1 weight 0.10000E+01 volume 0.68380E-03 ppm1 8.415 ppm2 7.938 CV 1 OR { 989} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HN )) ASSI { 991} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 2.600 0.900 0.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.41596E-02 ppm1 8.415 ppm2 4.354 CV 1 OR { 991} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) ASSI { 1009} (( segid " " and resid 71 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.400 1.400 1.400 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.11659E-02 ppm1 9.089 ppm2 3.268 CV 1 OR { 1009} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HB3 )) ASSI { 1013} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG12)) 3.100 1.200 1.200 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.42856E-02 ppm1 7.873 ppm2 1.784 CV 1 OR { 1013} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB2 )) ASSI { 1018} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG2%) 3.700 1.700 1.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.15157E-02 ppm1 7.871 ppm2 0.962 CV 1 OR { 1018} (( segid " " and resid 58 and name HN )) ( segid " " and resid 94 and name HG2%) ASSI { 1019} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.400 0.700 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.57352E-02 ppm1 7.872 ppm2 3.877 CV 1 OR { 1019} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA1 )) ASSI { 1023} (( segid " " and resid 106 and name HN )) (( segid " " and resid 103 and name HA )) 2.900 2.900 3.100 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.98315E-03 ppm1 8.197 ppm2 4.212 CV 1 OR { 1023} (( segid " " and resid 106 and name HN )) (( segid " " and resid 101 and name HA )) ASSI { 1024} (( segid " " and resid 58 and name HN )) (( segid " " and resid 60 and name HG2 )) 4.200 2.200 1.800 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.44747E-03 ppm1 7.869 ppm2 1.422 CV 1 OR { 1024} (( segid " " and resid 58 and name HN )) (( segid " " and resid 60 and name HG3 )) OR { 1024} (( segid " " and resid 58 and name HN )) (( segid " " and resid 62 and name HG12)) ASSI { 1027} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB )) 2.400 0.700 0.700 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.51049E-02 ppm1 8.195 ppm2 1.822 CV 1 OR { 1027} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB2 )) ASSI { 1033} (( segid " " and resid 3 and name HN )) ( segid " " and resid 3 and name HB% ) 2.800 1.000 1.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.31197E-02 ppm1 8.567 ppm2 1.427 CV 1 OR { 1033} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HB% ) ASSI { 1040} (( segid " " and resid 78 and name HN )) (( segid " " and resid 81 and name HB3 )) 4.300 2.300 1.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.58612E-03 ppm1 7.748 ppm2 1.757 CV 1 OR { 1040} (( segid " " and resid 78 and name HN )) (( segid " " and resid 82 and name HB2 )) ASSI { 1046} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HB3 )) 3.900 1.900 1.900 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.83505E-03 ppm1 7.748 ppm2 2.123 CV 1 OR { 1046} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HB2 )) ASSI { 1057} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HG2 )) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.44116E-02 ppm1 8.110 ppm2 2.325 CV 1 OR { 1057} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB )) ASSI { 1060} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.28613E-02 ppm1 8.111 ppm2 4.341 CV 1 OR { 1060} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 1068} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HG )) 4.300 2.300 1.700 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.65229E-03 ppm1 8.728 ppm2 1.860 CV 1 OR { 1068} (( segid " " and resid 15 and name HN )) (( segid " " and resid 19 and name HB2 )) ASSI { 1074} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HD2%) 3.200 1.300 1.300 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.21554E-02 ppm1 8.725 ppm2 0.963 CV 1 OR { 1074} (( segid " " and resid 15 and name HN )) ( segid " " and resid 39 and name HD2%) ASSI { 1078} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HN )) 4.300 2.300 1.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.22311E-03 ppm1 8.723 ppm2 7.831 CV 1 OR { 1078} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HN )) ASSI { 4} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 58 and name HD1%) 4.300 2.300 1.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.46916E-03 ppm1 7.141 ppm2 0.820 CV 1 OR { 4} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 76 and name HD1%) ASSI { 5} ( segid " " and resid 97 and name HE% ) ( segid " " and resid 72 and name HD2%) 3.900 1.900 1.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.37711E-03 ppm1 7.195 ppm2 0.883 CV 1 OR { 5} ( segid " " and resid 27 and name HD% ) ( segid " " and resid 30 and name HG2%) ASSI { 7} (( segid " " and resid 98 and name HD1 )) ( segid " " and resid 72 and name HD2%) 2.400 2.400 3.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.27289E-02 ppm1 7.050 ppm2 0.911 CV 1 OR { 7} ( segid " " and resid 51 and name HE% ) ( segid " " and resid 15 and name HD2%) ASSI { 8} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 94 and name HG2%) 3.200 1.300 1.300 peak 8 spectrum 1 weight 0.10000E+01 volume 0.25181E-02 ppm1 6.880 ppm2 0.922 CV 1 OR { 8} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 72 and name HD2%) ASSI { 11} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 15 and name HD2%) 2.200 0.600 0.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.11135E-01 ppm1 6.996 ppm2 0.955 CV 1 OR { 11} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 39 and name HD1%) ASSI { 19} (( segid " " and resid 98 and name HZ3 )) ( segid " " and resid 103 and name HG2%) 2.900 1.000 1.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.24616E-02 ppm1 7.347 ppm2 1.245 CV 1 OR { 19} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 72 and name HG )) OR { 19} (( segid " " and resid 98 and name HZ3 )) (( segid " " and resid 102 and name HB3 )) OR { 19} ( segid " " and resid 69 and name HD% ) (( segid " " and resid 102 and name HB3 )) ASSI { 20} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 76 and name HB2 )) 2.800 2.800 3.200 peak 20 spectrum 1 weight 0.10000E+01 volume 0.31475E-02 ppm1 7.138 ppm2 1.253 CV 1 OR { 20} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 72 and name HG )) ASSI { 23} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 72 and name HB3 )) 2.800 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.29515E-02 ppm1 7.319 ppm2 1.441 CV 1 OR { 23} (( segid " " and resid 98 and name HZ3 )) (( segid " " and resid 99 and name HG2 )) OR { 23} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 99 and name HG2 )) ASSI { 24} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 72 and name HB3 )) 2.700 2.700 3.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.36523E-02 ppm1 7.154 ppm2 1.446 CV 1 OR { 24} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 91 and name HB% ) ASSI { 25} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 72 and name HB3 )) 4.100 2.100 1.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.23518E-03 ppm1 7.366 ppm2 1.450 CV 1 OR { 25} ( segid " " and resid 69 and name HD% ) (( segid " " and resid 102 and name HD3 )) OR { 25} ( segid " " and resid 69 and name HD% ) (( segid " " and resid 102 and name HD2 )) OR { 25} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 99 and name HG2 )) ASSI { 27} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 72 and name HB3 )) 3.200 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.10571E-02 ppm1 7.336 ppm2 1.504 CV 1 OR { 27} (( segid " " and resid 98 and name HZ3 )) (( segid " " and resid 102 and name HB2 )) ASSI { 28} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 30 and name HG12)) 3.000 3.000 3.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.20637E-02 ppm1 7.206 ppm2 1.571 CV 1 OR { 28} ( segid " " and resid 97 and name HE% ) (( segid " " and resid 96 and name HG3 )) OR { 28} ( segid " " and resid 97 and name HE% ) ( segid " " and resid 74 and name HB% ) ASSI { 29} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 18 and name HB% ) 3.200 1.300 1.300 peak 29 spectrum 1 weight 0.10000E+01 volume 0.11789E-02 ppm1 6.773 ppm2 1.599 CV 1 OR { 29} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 15 and name HG )) ASSI { 30} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 11 and name HB3 )) 2.200 0.600 0.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.97691E-02 ppm1 6.999 ppm2 1.606 CV 1 OR { 30} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 18 and name HB% ) OR { 30} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 15 and name HG )) ASSI { 31} ( segid " " and resid 51 and name HE% ) (( segid " " and resid 6 and name HB2 )) 2.700 2.700 3.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.17876E-02 ppm1 7.043 ppm2 1.620 CV 1 OR { 31} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 67 and name HB3 )) OR { 31} ( segid " " and resid 51 and name HE% ) (( segid " " and resid 90 and name HB3 )) OR { 31} ( segid " " and resid 51 and name HE% ) (( segid " " and resid 15 and name HG )) ASSI { 32} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 12 and name HG )) 4.000 2.000 2.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.19093E-03 ppm1 6.986 ppm2 1.684 CV 1 OR { 32} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 55 and name HB2 )) OR { 32} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 10 and name HG2 )) OR { 32} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 49 and name HG2 )) ASSI { 33} ( segid " " and resid 51 and name HE% ) (( segid " " and resid 55 and name HG3 )) 3.700 1.700 1.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.52855E-03 ppm1 7.043 ppm2 1.739 CV 1 OR { 33} ( segid " " and resid 51 and name HE% ) (( segid " " and resid 55 and name HB2 )) OR { 33} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 99 and name HB3 )) ASSI { 37} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 67 and name HB2 )) 4.100 2.100 1.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.12412E-03 ppm1 7.047 ppm2 2.077 CV 1 OR { 37} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 76 and name HG )) OR { 37} ( segid " " and resid 51 and name HE% ) (( segid " " and resid 50 and name HG3 )) OR { 37} ( segid " " and resid 51 and name HE% ) (( segid " " and resid 40 and name HB3 )) OR { 37} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 96 and name HB3 )) ASSI { 38} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB3 )) 2.400 0.700 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.37711E-02 ppm1 6.987 ppm2 2.079 CV 1 OR { 38} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 39 and name HB2 )) ASSI { 44} ( segid " " and resid 48 and name HD% ) (( segid " " and resid 48 and name HB3 )) 3.300 1.400 1.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.71564E-03 ppm1 7.264 ppm2 2.968 CV 1 OR { 44} ( segid " " and resid 24 and name HD% ) (( segid " " and resid 24 and name HB3 )) OR { 44} ( segid " " and resid 48 and name HD% ) (( segid " " and resid 48 and name HB2 )) ASSI { 52} ( segid " " and resid 69 and name HD% ) (( segid " " and resid 69 and name HB3 )) 3.200 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+01 volume 0.10482E-02 ppm1 7.363 ppm2 3.273 CV 1 OR { 52} ( segid " " and resid 69 and name HD% ) (( segid " " and resid 68 and name HB2 )) ASSI { 55} ( segid " " and resid 69 and name HD% ) (( segid " " and resid 69 and name HB2 )) 2.500 0.800 0.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.40086E-02 ppm1 7.354 ppm2 3.394 CV 1 OR { 55} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 97 and name HB3 )) ASSI { 59} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 58 and name HA )) 3.900 1.900 1.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.39196E-03 ppm1 7.361 ppm2 3.858 CV 1 OR { 59} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 99 and name HA )) OR { 59} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 100 and name HB2 )) OR { 59} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 100 and name HB3 )) ASSI { 60} (( segid " " and resid 98 and name HZ3 )) (( segid " " and resid 99 and name HA )) 3.000 1.100 1.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.24824E-02 ppm1 7.326 ppm2 3.859 CV 1 OR { 60} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 99 and name HA )) ASSI { 61} (( segid " " and resid 75 and name HZ )) (( segid " " and resid 57 and name HA1 )) 3.500 1.500 1.500 peak 61 spectrum 1 weight 0.10000E+01 volume 0.14758E-02 ppm1 7.278 ppm2 3.882 CV 1 OR { 61} (( segid " " and resid 98 and name HZ3 )) (( segid " " and resid 99 and name HA )) ASSI { 64} ( segid " " and resid 97 and name HE% ) (( segid " " and resid 95 and name HB2 )) 4.800 2.900 1.200 peak 64 spectrum 1 weight 0.10000E+01 volume 0.10096E-03 ppm1 7.204 ppm2 4.016 CV 1 OR { 64} ( segid " " and resid 97 and name HE% ) (( segid " " and resid 96 and name HA )) OR { 64} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 26 and name HA2 )) ASSI { 66} (( segid " " and resid 98 and name HZ2 )) (( segid " " and resid 95 and name HA )) 3.600 3.600 2.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.27170E-03 ppm1 7.661 ppm2 4.226 CV 1 OR { 66} (( segid " " and resid 98 and name HZ2 )) (( segid " " and resid 74 and name HA )) ASSI { 67} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 95 and name HA )) 3.300 3.300 2.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.27110E-02 ppm1 7.112 ppm2 4.228 CV 1 OR { 67} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 74 and name HA )) ASSI { 76} ( segid " " and resid 97 and name HD% ) (( segid " " and resid 69 and name HA )) 2.700 2.700 3.300 peak 76 spectrum 1 weight 0.10000E+01 volume 0.30882E-02 ppm1 7.316 ppm2 4.545 CV 1 OR { 76} ( segid " " and resid 24 and name HD% ) (( segid " " and resid 22 and name HA ))
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