NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
629879 | 6gf2 | 27466 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: unambig.tbl ASSI { 3} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 2.800 0.900 0.900 peak 3 spectrum 1 weight 0.11000E+01 volume 0.23637E-02 ppm1 8.264 ppm2 4.195 CV 1 ASSI { 4} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.400 0.700 0.700 peak 4 spectrum 1 weight 0.11000E+01 volume 0.60052E-02 ppm1 8.264 ppm2 2.008 CV 1 ASSI { 9} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB3 )) 2.600 0.900 0.900 peak 9 spectrum 1 weight 0.11000E+01 volume 0.30675E-02 ppm1 8.521 ppm2 1.791 CV 1 ASSI { 10} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG2 )) 2.400 0.700 0.700 peak 10 spectrum 1 weight 0.11000E+01 volume 0.51702E-02 ppm1 8.521 ppm2 2.151 CV 1 ASSI { 11} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG3 )) 2.500 0.800 0.800 peak 11 spectrum 1 weight 0.11000E+01 volume 0.46471E-02 ppm1 8.521 ppm2 1.999 CV 1 ASSI { 13} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.700 0.900 0.900 peak 13 spectrum 1 weight 0.11000E+01 volume 0.24032E-02 ppm1 9.087 ppm2 4.859 CV 1 ASSI { 14} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 2.300 0.700 0.700 peak 14 spectrum 1 weight 0.11000E+01 volume 0.64390E-02 ppm1 9.087 ppm2 1.698 CV 1 ASSI { 15} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB3 )) 3.100 1.200 1.200 peak 15 spectrum 1 weight 0.11000E+01 volume 0.11999E-02 ppm1 9.087 ppm2 1.024 CV 1 ASSI { 16} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HG )) 2.500 0.800 0.800 peak 16 spectrum 1 weight 0.11000E+01 volume 0.47488E-02 ppm1 9.087 ppm2 1.707 CV 1 ASSI { 18} (( segid " " and resid 8 and name HN )) ( segid " " and resid 8 and name HD2%) 3.100 1.200 1.200 peak 18 spectrum 1 weight 0.11000E+01 volume 0.11117E-02 ppm1 9.087 ppm2 0.822 CV 1 ASSI { 21} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.800 1.000 1.000 peak 21 spectrum 1 weight 0.11000E+01 volume 0.21489E-02 ppm1 8.711 ppm2 1.421 CV 1 ASSI { 22} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB3 )) 2.700 0.900 0.900 peak 22 spectrum 1 weight 0.11000E+01 volume 0.29591E-02 ppm1 8.711 ppm2 1.311 CV 1 ASSI { 23} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG )) 2.700 0.900 0.900 peak 23 spectrum 1 weight 0.11000E+01 volume 0.28687E-02 ppm1 8.711 ppm2 1.677 CV 1 ASSI { 24} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HD1%) 3.100 1.200 1.200 peak 24 spectrum 1 weight 0.11000E+01 volume 0.12292E-02 ppm1 8.711 ppm2 0.817 CV 1 ASSI { 29} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB3 )) 2.900 1.100 1.100 peak 29 spectrum 1 weight 0.11000E+01 volume 0.16326E-02 ppm1 8.239 ppm2 2.558 CV 1 ASSI { 31} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 3.000 1.100 1.100 peak 31 spectrum 1 weight 0.11000E+01 volume 0.13400E-02 ppm1 9.308 ppm2 5.051 CV 1 ASSI { 32} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.600 0.800 0.800 peak 32 spectrum 1 weight 0.11000E+01 volume 0.33274E-02 ppm1 9.308 ppm2 1.995 CV 1 ASSI { 35} (( segid " " and resid 12 and name HN )) ( segid " " and resid 12 and name HD1%) 3.400 1.400 1.400 peak 35 spectrum 1 weight 0.11000E+01 volume 0.70255E-03 ppm1 9.308 ppm2 0.906 CV 1 ASSI { 36} (( segid " " and resid 12 and name HN )) ( segid " " and resid 12 and name HD2%) 3.100 1.200 1.200 peak 36 spectrum 1 weight 0.11000E+01 volume 0.10578E-02 ppm1 9.308 ppm2 0.803 CV 1 ASSI { 38} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 3.000 1.100 1.100 peak 38 spectrum 1 weight 0.11000E+01 volume 0.14519E-02 ppm1 9.164 ppm2 4.527 CV 1 ASSI { 39} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB )) 2.600 0.800 0.800 peak 39 spectrum 1 weight 0.11000E+01 volume 0.33839E-02 ppm1 9.164 ppm2 1.689 CV 1 ASSI { 41} (( segid " " and resid 13 and name HN )) ( segid " " and resid 13 and name HG2%) 2.700 0.900 0.900 peak 41 spectrum 1 weight 0.11000E+01 volume 0.26902E-02 ppm1 9.164 ppm2 0.602 CV 1 ASSI { 43} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.200 0.600 0.600 peak 43 spectrum 1 weight 0.11000E+01 volume 0.80208E-02 ppm1 8.733 ppm2 4.527 CV 1 ASSI { 44} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.600 0.800 0.800 peak 44 spectrum 1 weight 0.11000E+01 volume 0.34144E-02 ppm1 8.733 ppm2 2.326 CV 1 ASSI { 45} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB3 )) 2.600 0.800 0.800 peak 45 spectrum 1 weight 0.11000E+01 volume 0.36461E-02 ppm1 8.733 ppm2 2.128 CV 1 ASSI { 46} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG2 )) 2.900 1.000 1.000 peak 46 spectrum 1 weight 0.11000E+01 volume 0.19106E-02 ppm1 8.733 ppm2 2.385 CV 1 ASSI { 53} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA2 )) 2.900 1.100 1.100 peak 53 spectrum 1 weight 0.11000E+01 volume 0.16044E-02 ppm1 8.585 ppm2 3.952 CV 1 ASSI { 55} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 3.900 1.900 1.900 peak 55 spectrum 1 weight 0.11000E+01 volume 0.30314E-03 ppm1 8.195 ppm2 4.550 CV 1 ASSI { 57} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB3 )) 3.500 1.500 1.500 peak 57 spectrum 1 weight 0.11000E+01 volume 0.57826E-03 ppm1 8.195 ppm2 2.569 CV 1 ASSI { 61} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB3 )) 2.800 0.900 0.900 peak 61 spectrum 1 weight 0.11000E+01 volume 0.23455E-02 ppm1 8.556 ppm2 1.957 CV 1 ASSI { 64} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.300 0.600 0.600 peak 64 spectrum 1 weight 0.11000E+01 volume 0.73531E-02 ppm1 7.989 ppm2 4.182 CV 1 ASSI { 65} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HB% ) 2.400 0.700 0.700 peak 65 spectrum 1 weight 0.11000E+01 volume 0.52719E-02 ppm1 7.989 ppm2 1.368 CV 1 ASSI { 67} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.11000E+01 volume 0.86366E-02 ppm1 7.959 ppm2 4.195 CV 1 ASSI { 70} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG2 )) 2.400 0.700 0.700 peak 70 spectrum 1 weight 0.11000E+01 volume 0.58097E-02 ppm1 7.959 ppm2 1.712 CV 1 ASSI { 71} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG3 )) 2.800 1.000 1.000 peak 71 spectrum 1 weight 0.11000E+01 volume 0.21150E-02 ppm1 7.959 ppm2 1.263 CV 1 ASSI { 72} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HD2 )) 2.600 0.800 0.800 peak 72 spectrum 1 weight 0.11000E+01 volume 0.36156E-02 ppm1 7.959 ppm2 1.349 CV 1 ASSI { 73} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HD3 )) 2.900 1.100 1.100 peak 73 spectrum 1 weight 0.11000E+01 volume 0.16326E-02 ppm1 7.959 ppm2 1.249 CV 1 ASSI { 75} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HE3 )) 4.400 2.400 1.600 peak 75 spectrum 1 weight 0.11000E+01 volume 0.14021E-03 ppm1 7.959 ppm2 3.002 CV 1 ASSI { 77} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 3.000 1.100 1.100 peak 77 spectrum 1 weight 0.11000E+01 volume 0.14304E-02 ppm1 7.873 ppm2 5.371 CV 1 ASSI { 79} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG2 )) 2.900 1.000 1.000 peak 79 spectrum 1 weight 0.11000E+01 volume 0.18891E-02 ppm1 7.873 ppm2 1.523 CV 1 ASSI { 81} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HD3 )) 4.200 2.200 1.800 peak 81 spectrum 1 weight 0.11000E+01 volume 0.18824E-03 ppm1 7.873 ppm2 2.765 CV 1 ASSI { 84} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.600 0.800 0.800 peak 84 spectrum 1 weight 0.11000E+01 volume 0.33478E-02 ppm1 9.192 ppm2 2.916 CV 1 ASSI { 86} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 3.200 1.200 1.200 peak 86 spectrum 1 weight 0.11000E+01 volume 0.10295E-02 ppm1 8.894 ppm2 4.438 CV 1 ASSI { 87} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.600 0.800 0.800 peak 87 spectrum 1 weight 0.11000E+01 volume 0.35274E-02 ppm1 8.894 ppm2 1.727 CV 1 ASSI { 88} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB3 )) 2.600 0.900 0.900 peak 88 spectrum 1 weight 0.11000E+01 volume 0.31681E-02 ppm1 8.894 ppm2 1.497 CV 1 ASSI { 89} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG )) 3.500 1.500 1.500 peak 89 spectrum 1 weight 0.11000E+01 volume 0.56730E-03 ppm1 8.894 ppm2 1.230 CV 1 ASSI { 90} (( segid " " and resid 23 and name HN )) ( segid " " and resid 23 and name HD1%) 3.400 1.400 1.400 peak 90 spectrum 1 weight 0.11000E+01 volume 0.71802E-03 ppm1 8.894 ppm2 0.751 CV 1 ASSI { 91} (( segid " " and resid 23 and name HN )) ( segid " " and resid 23 and name HD2%) 3.600 1.700 1.700 peak 91 spectrum 1 weight 0.11000E+01 volume 0.44086E-03 ppm1 8.894 ppm2 0.563 CV 1 ASSI { 94} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) 2.700 0.900 0.900 peak 94 spectrum 1 weight 0.11000E+01 volume 0.26902E-02 ppm1 9.084 ppm2 1.475 CV 1 ASSI { 95} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB3 )) 2.800 1.000 1.000 peak 95 spectrum 1 weight 0.11000E+01 volume 0.21411E-02 ppm1 9.084 ppm2 1.339 CV 1 ASSI { 96} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HG )) 3.100 1.200 1.200 peak 96 spectrum 1 weight 0.11000E+01 volume 0.12021E-02 ppm1 9.084 ppm2 1.619 CV 1 ASSI { 97} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HD1%) 2.800 1.000 1.000 peak 97 spectrum 1 weight 0.11000E+01 volume 0.22472E-02 ppm1 9.084 ppm2 0.735 CV 1 ASSI { 100} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.600 0.800 0.800 peak 100 spectrum 1 weight 0.11000E+01 volume 0.37432E-02 ppm1 8.210 ppm2 1.843 CV 1 ASSI { 101} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB3 )) 2.800 1.000 1.000 peak 101 spectrum 1 weight 0.11000E+01 volume 0.20722E-02 ppm1 8.210 ppm2 1.703 CV 1 ASSI { 103} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HG3 )) 2.800 0.900 0.900 peak 103 spectrum 1 weight 0.11000E+01 volume 0.23489E-02 ppm1 8.210 ppm2 2.160 CV 1 ASSI { 106} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB )) 2.600 0.800 0.800 peak 106 spectrum 1 weight 0.11000E+01 volume 0.33783E-02 ppm1 8.604 ppm2 1.944 CV 1 ASSI { 112} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB3 )) 2.300 0.700 0.700 peak 112 spectrum 1 weight 0.11000E+01 volume 0.65113E-02 ppm1 8.542 ppm2 1.676 CV 1 ASSI { 115} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HD3 )) 3.600 1.600 1.600 peak 115 spectrum 1 weight 0.11000E+01 volume 0.48459E-03 ppm1 8.542 ppm2 3.108 CV 1 ASSI { 118} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.500 0.800 0.800 peak 118 spectrum 1 weight 0.11000E+01 volume 0.47420E-02 ppm1 9.261 ppm2 1.948 CV 1 ASSI { 119} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG2 )) 2.600 0.900 0.900 peak 119 spectrum 1 weight 0.11000E+01 volume 0.29772E-02 ppm1 9.261 ppm2 1.825 CV 1 ASSI { 120} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG3 )) 2.800 1.000 1.000 peak 120 spectrum 1 weight 0.11000E+01 volume 0.19591E-02 ppm1 9.261 ppm2 1.633 CV 1 ASSI { 121} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HD2 )) 3.500 1.500 1.500 peak 121 spectrum 1 weight 0.11000E+01 volume 0.58368E-03 ppm1 9.261 ppm2 3.300 CV 1 ASSI { 125} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB3 )) 2.900 1.100 1.100 peak 125 spectrum 1 weight 0.11000E+01 volume 0.16044E-02 ppm1 7.858 ppm2 3.798 CV 1 ASSI { 127} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.500 0.800 0.800 peak 127 spectrum 1 weight 0.11000E+01 volume 0.38664E-02 ppm1 7.762 ppm2 4.629 CV 1 ASSI { 133} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB3 )) 3.000 1.100 1.100 peak 133 spectrum 1 weight 0.11000E+01 volume 0.15027E-02 ppm1 9.261 ppm2 4.092 CV 1 ASSI { 135} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.800 1.000 1.000 peak 135 spectrum 1 weight 0.11000E+01 volume 0.20201E-02 ppm1 8.597 ppm2 3.568 CV 1 ASSI { 136} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB )) 2.300 2.300 3.700 peak 136 spectrum 1 weight 0.11000E+01 volume 0.70039E-02 ppm1 8.597 ppm2 2.149 CV 1 ASSI { 137} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HG1%) 2.400 0.700 0.700 peak 137 spectrum 1 weight 0.11000E+01 volume 0.57950E-02 ppm1 8.597 ppm2 1.062 CV 1 ASSI { 141} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HB% ) 2.200 0.600 0.600 peak 141 spectrum 1 weight 0.11000E+01 volume 0.81542E-02 ppm1 8.528 ppm2 1.497 CV 1 ASSI { 143} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 2.500 0.800 0.800 peak 143 spectrum 1 weight 0.11000E+01 volume 0.37590E-02 ppm1 8.179 ppm2 4.080 CV 1 ASSI { 144} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 144 spectrum 1 weight 0.11000E+01 volume 0.57736E-02 ppm1 8.179 ppm2 2.589 CV 1 ASSI { 145} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB3 )) 2.700 0.900 0.900 peak 145 spectrum 1 weight 0.11000E+01 volume 0.25230E-02 ppm1 8.179 ppm2 2.072 CV 1 ASSI { 146} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG2 )) 2.200 0.600 0.600 peak 146 spectrum 1 weight 0.11000E+01 volume 0.86265E-02 ppm1 8.179 ppm2 2.520 CV 1 ASSI { 148} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 2.700 0.900 0.900 peak 148 spectrum 1 weight 0.11000E+01 volume 0.24111E-02 ppm1 7.966 ppm2 3.871 CV 1 ASSI { 149} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB )) 2.300 0.700 0.700 peak 149 spectrum 1 weight 0.11000E+01 volume 0.65520E-02 ppm1 7.966 ppm2 2.213 CV 1 ASSI { 153} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.800 1.000 1.000 peak 153 spectrum 1 weight 0.11000E+01 volume 0.21998E-02 ppm1 9.022 ppm2 4.386 CV 1 ASSI { 154} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.600 0.800 0.800 peak 154 spectrum 1 weight 0.11000E+01 volume 0.36506E-02 ppm1 9.022 ppm2 1.893 CV 1 ASSI { 155} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB3 )) 2.400 0.700 0.700 peak 155 spectrum 1 weight 0.11000E+01 volume 0.56639E-02 ppm1 9.022 ppm2 1.593 CV 1 ASSI { 158} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HD2 )) 2.600 0.900 0.900 peak 158 spectrum 1 weight 0.11000E+01 volume 0.32449E-02 ppm1 9.022 ppm2 1.666 CV 1 ASSI { 159} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HD3 )) 2.700 0.900 0.900 peak 159 spectrum 1 weight 0.11000E+01 volume 0.24292E-02 ppm1 9.022 ppm2 1.446 CV 1 ASSI { 161} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HE3 )) 3.500 1.600 1.600 peak 161 spectrum 1 weight 0.11000E+01 volume 0.52696E-03 ppm1 9.022 ppm2 2.573 CV 1 ASSI { 164} (( segid " " and resid 37 and name HN )) ( segid " " and resid 37 and name HB% ) 2.100 0.500 0.500 peak 164 spectrum 1 weight 0.11000E+01 volume 0.13106E-01 ppm1 8.005 ppm2 1.574 CV 1 ASSI { 166} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.700 0.900 0.900 peak 166 spectrum 1 weight 0.11000E+01 volume 0.28213E-02 ppm1 7.761 ppm2 4.238 CV 1 ASSI { 168} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB3 )) 2.700 0.900 0.900 peak 168 spectrum 1 weight 0.11000E+01 volume 0.28179E-02 ppm1 7.761 ppm2 2.099 CV 1 ASSI { 169} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG2 )) 2.400 0.700 0.700 peak 169 spectrum 1 weight 0.11000E+01 volume 0.57080E-02 ppm1 7.761 ppm2 2.954 CV 1 ASSI { 170} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG3 )) 2.700 0.900 0.900 peak 170 spectrum 1 weight 0.11000E+01 volume 0.26326E-02 ppm1 7.761 ppm2 2.668 CV 1 ASSI { 173} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB )) 2.500 0.800 0.800 peak 173 spectrum 1 weight 0.11000E+01 volume 0.41749E-02 ppm1 8.642 ppm2 2.226 CV 1 ASSI { 175} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG12)) 2.500 0.800 0.800 peak 175 spectrum 1 weight 0.11000E+01 volume 0.42211E-02 ppm1 8.642 ppm2 1.983 CV 1 ASSI { 176} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG13)) 2.800 1.000 1.000 peak 176 spectrum 1 weight 0.11000E+01 volume 0.20642E-02 ppm1 8.642 ppm2 0.833 CV 1 ASSI { 177} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HD1%) 2.300 0.700 0.700 peak 177 spectrum 1 weight 0.11000E+01 volume 0.61724E-02 ppm1 8.642 ppm2 0.758 CV 1 ASSI { 179} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.800 1.000 1.000 peak 179 spectrum 1 weight 0.11000E+01 volume 0.21150E-02 ppm1 8.470 ppm2 3.926 CV 1 ASSI { 180} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.600 0.900 0.900 peak 180 spectrum 1 weight 0.11000E+01 volume 0.29806E-02 ppm1 8.470 ppm2 2.366 CV 1 ASSI { 181} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB3 )) 2.700 0.900 0.900 peak 181 spectrum 1 weight 0.11000E+01 volume 0.28574E-02 ppm1 8.470 ppm2 1.829 CV 1 ASSI { 182} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HG2 )) 3.100 1.200 1.200 peak 182 spectrum 1 weight 0.11000E+01 volume 0.10834E-02 ppm1 8.470 ppm2 2.023 CV 1 ASSI { 186} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB )) 2.500 0.800 0.800 peak 186 spectrum 1 weight 0.11000E+01 volume 0.43590E-02 ppm1 7.911 ppm2 4.284 CV 1 ASSI { 189} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.600 0.800 0.800 peak 189 spectrum 1 weight 0.11000E+01 volume 0.33896E-02 ppm1 7.223 ppm2 4.271 CV 1 ASSI { 191} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB3 )) 2.600 2.600 3.400 peak 191 spectrum 1 weight 0.11000E+01 volume 0.30393E-02 ppm1 7.223 ppm2 1.292 CV 1 ASSI { 192} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG2 )) 2.700 0.900 0.900 peak 192 spectrum 1 weight 0.11000E+01 volume 0.27919E-02 ppm1 7.223 ppm2 1.605 CV 1 ASSI { 194} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HD3 )) 2.900 1.100 1.100 peak 194 spectrum 1 weight 0.11000E+01 volume 0.17230E-02 ppm1 7.223 ppm2 1.081 CV 1 ASSI { 198} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB )) 3.100 1.200 1.200 peak 198 spectrum 1 weight 0.11000E+01 volume 0.12214E-02 ppm1 7.795 ppm2 4.182 CV 1 ASSI { 199} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HG2%) 2.600 0.800 0.800 peak 199 spectrum 1 weight 0.11000E+01 volume 0.34461E-02 ppm1 7.795 ppm2 0.855 CV 1 ASSI { 202} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA2 )) 2.600 0.800 0.800 peak 202 spectrum 1 weight 0.11000E+01 volume 0.34302E-02 ppm1 8.926 ppm2 3.811 CV 1 ASSI { 204} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 204 spectrum 1 weight 0.11000E+01 volume 0.29670E-02 ppm1 7.688 ppm2 4.050 CV 1 ASSI { 205} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB )) 2.300 0.700 0.700 peak 205 spectrum 1 weight 0.11000E+01 volume 0.63102E-02 ppm1 7.688 ppm2 1.556 CV 1 ASSI { 207} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG12)) 2.500 0.800 0.800 peak 207 spectrum 1 weight 0.11000E+01 volume 0.44675E-02 ppm1 7.688 ppm2 1.350 CV 1 ASSI { 209} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD1%) 2.600 0.800 0.800 peak 209 spectrum 1 weight 0.11000E+01 volume 0.33737E-02 ppm1 7.688 ppm2 0.783 CV 1 ASSI { 213} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG2%) 2.600 0.800 0.800 peak 213 spectrum 1 weight 0.11000E+01 volume 0.35071E-02 ppm1 8.163 ppm2 1.105 CV 1 ASSI { 215} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HD1%) 3.000 1.100 1.100 peak 215 spectrum 1 weight 0.11000E+01 volume 0.13671E-02 ppm1 8.163 ppm2 0.929 CV 1 ASSI { 217} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.700 0.900 0.900 peak 217 spectrum 1 weight 0.11000E+01 volume 0.25275E-02 ppm1 9.172 ppm2 4.182 CV 1 ASSI { 218} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB2 )) 2.700 0.900 0.900 peak 218 spectrum 1 weight 0.11000E+01 volume 0.29048E-02 ppm1 9.172 ppm2 2.132 CV 1 ASSI { 219} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB3 )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.11000E+01 volume 0.56493E-02 ppm1 9.172 ppm2 2.058 CV 1 ASSI { 221} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG3 )) 2.700 0.900 0.900 peak 221 spectrum 1 weight 0.11000E+01 volume 0.26326E-02 ppm1 9.172 ppm2 2.288 CV 1 ASSI { 223} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.700 0.900 0.900 peak 223 spectrum 1 weight 0.11000E+01 volume 0.25603E-02 ppm1 7.902 ppm2 4.412 CV 1 ASSI { 224} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB )) 2.600 0.900 0.900 peak 224 spectrum 1 weight 0.11000E+01 volume 0.32449E-02 ppm1 7.902 ppm2 4.246 CV 1 ASSI { 225} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HG2%) 2.700 0.900 0.900 peak 225 spectrum 1 weight 0.11000E+01 volume 0.28789E-02 ppm1 7.902 ppm2 1.203 CV 1 ASSI { 227} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 2.700 0.900 0.900 peak 227 spectrum 1 weight 0.11000E+01 volume 0.25738E-02 ppm1 7.284 ppm2 4.003 CV 1 ASSI { 233} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 233 spectrum 1 weight 0.11000E+01 volume 0.25705E-02 ppm1 8.635 ppm2 4.112 CV 1 ASSI { 234} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB )) 2.400 0.700 0.700 peak 234 spectrum 1 weight 0.11000E+01 volume 0.50685E-02 ppm1 8.635 ppm2 1.752 CV 1 ASSI { 235} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HG2%) 2.900 1.000 1.000 peak 235 spectrum 1 weight 0.11000E+01 volume 0.18180E-02 ppm1 8.635 ppm2 0.784 CV 1 ASSI { 236} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HG12)) 2.400 0.700 0.700 peak 236 spectrum 1 weight 0.11000E+01 volume 0.58244E-02 ppm1 8.635 ppm2 0.882 CV 1 ASSI { 239} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 3.000 1.100 1.100 peak 239 spectrum 1 weight 0.11000E+01 volume 0.13728E-02 ppm1 8.892 ppm2 5.280 CV 1 ASSI { 240} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB )) 2.600 0.800 0.800 peak 240 spectrum 1 weight 0.11000E+01 volume 0.35127E-02 ppm1 8.892 ppm2 1.728 CV 1 ASSI { 241} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HG1%) 2.700 0.900 0.900 peak 241 spectrum 1 weight 0.11000E+01 volume 0.27523E-02 ppm1 8.892 ppm2 0.943 CV 1 ASSI { 249} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.800 1.000 1.000 peak 249 spectrum 1 weight 0.11000E+01 volume 0.20563E-02 ppm1 8.839 ppm2 1.691 CV 1 ASSI { 250} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB3 )) 2.900 1.000 1.000 peak 250 spectrum 1 weight 0.11000E+01 volume 0.19004E-02 ppm1 8.839 ppm2 1.177 CV 1 ASSI { 253} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HD2%) 3.000 1.200 1.200 peak 253 spectrum 1 weight 0.11000E+01 volume 0.13106E-02 ppm1 8.839 ppm2 0.742 CV 1 ASSI { 261} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 2.900 1.000 1.000 peak 261 spectrum 1 weight 0.11000E+01 volume 0.18440E-02 ppm1 7.923 ppm2 4.766 CV 1 ASSI { 262} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB2 )) 2.300 0.700 0.700 peak 262 spectrum 1 weight 0.11000E+01 volume 0.72096E-02 ppm1 7.923 ppm2 2.059 CV 1 ASSI { 263} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HG2 )) 3.200 1.300 1.300 peak 263 spectrum 1 weight 0.11000E+01 volume 0.95123E-03 ppm1 7.923 ppm2 1.842 CV 1 ASSI { 264} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HD2 )) 2.900 1.100 1.100 peak 264 spectrum 1 weight 0.11000E+01 volume 0.16847E-02 ppm1 7.923 ppm2 1.661 CV 1 ASSI { 265} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HD3 )) 2.600 0.900 0.900 peak 265 spectrum 1 weight 0.11000E+01 volume 0.30721E-02 ppm1 7.923 ppm2 1.609 CV 1 ASSI { 266} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HE2 )) 3.400 1.400 1.400 peak 266 spectrum 1 weight 0.11000E+01 volume 0.72344E-03 ppm1 7.923 ppm2 3.069 CV 1 ASSI { 269} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB2 )) 2.200 0.600 0.600 peak 269 spectrum 1 weight 0.11000E+01 volume 0.82875E-02 ppm1 8.654 ppm2 1.752 CV 1 ASSI { 270} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 270 spectrum 1 weight 0.11000E+01 volume 0.39749E-02 ppm1 8.654 ppm2 1.685 CV 1 ASSI { 271} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG3 )) 2.700 0.900 0.900 peak 271 spectrum 1 weight 0.11000E+01 volume 0.29704E-02 ppm1 8.654 ppm2 1.597 CV 1 ASSI { 272} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HD2 )) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.11000E+01 volume 0.58278E-03 ppm1 8.654 ppm2 3.197 CV 1 ASSI { 276} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB3 )) 2.400 0.700 0.700 peak 276 spectrum 1 weight 0.11000E+01 volume 0.58459E-02 ppm1 8.685 ppm2 1.223 CV 1 ASSI { 278} (( segid " " and resid 59 and name HN )) ( segid " " and resid 59 and name HD1%) 3.000 1.100 1.100 peak 278 spectrum 1 weight 0.11000E+01 volume 0.14869E-02 ppm1 8.685 ppm2 0.482 CV 1 ASSI { 279} (( segid " " and resid 59 and name HN )) ( segid " " and resid 59 and name HD2%) 3.000 1.100 1.100 peak 279 spectrum 1 weight 0.11000E+01 volume 0.15016E-02 ppm1 8.685 ppm2 0.082 CV 1 ASSI { 281} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.800 1.000 1.000 peak 281 spectrum 1 weight 0.11000E+01 volume 0.20078E-02 ppm1 8.047 ppm2 4.565 CV 1 ASSI { 287} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 2.600 0.800 0.800 peak 287 spectrum 1 weight 0.11000E+01 volume 0.35071E-02 ppm1 8.525 ppm2 4.323 CV 1 ASSI { 290} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.500 0.800 0.800 peak 290 spectrum 1 weight 0.11000E+01 volume 0.37895E-02 ppm1 7.481 ppm2 4.796 CV 1 ASSI { 292} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB3 )) 2.500 0.800 0.800 peak 292 spectrum 1 weight 0.11000E+01 volume 0.40313E-02 ppm1 7.481 ppm2 2.409 CV 1 ASSI { 294} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HD2 )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.11000E+01 volume 0.24472E-02 ppm1 7.481 ppm2 1.375 CV 1 ASSI { 295} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HE2 )) 4.300 2.300 1.700 peak 295 spectrum 1 weight 0.11000E+01 volume 0.17038E-03 ppm1 7.481 ppm2 2.991 CV 1 ASSI { 297} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 3.100 1.200 1.200 peak 297 spectrum 1 weight 0.11000E+01 volume 0.12474E-02 ppm1 9.186 ppm2 5.269 CV 1 ASSI { 299} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB3 )) 2.600 0.900 0.900 peak 299 spectrum 1 weight 0.11000E+01 volume 0.32088E-02 ppm1 9.186 ppm2 2.034 CV 1 ASSI { 300} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG2 )) 2.800 1.000 1.000 peak 300 spectrum 1 weight 0.11000E+01 volume 0.21434E-02 ppm1 9.186 ppm2 2.774 CV 1 ASSI { 301} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG3 )) 2.800 1.000 1.000 peak 301 spectrum 1 weight 0.11000E+01 volume 0.20902E-02 ppm1 9.186 ppm2 2.621 CV 1 ASSI { 305} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB3 )) 2.900 1.000 1.000 peak 305 spectrum 1 weight 0.11000E+01 volume 0.17739E-02 ppm1 8.795 ppm2 1.778 CV 1 ASSI { 307} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HG3 )) 2.500 0.800 0.800 peak 307 spectrum 1 weight 0.11000E+01 volume 0.41749E-02 ppm1 8.795 ppm2 2.338 CV 1 ASSI { 310} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HB% ) 2.200 0.600 0.600 peak 310 spectrum 1 weight 0.11000E+01 volume 0.99924E-02 ppm1 8.877 ppm2 1.469 CV 1 ASSI { 312} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.600 0.900 0.900 peak 312 spectrum 1 weight 0.11000E+01 volume 0.31591E-02 ppm1 7.803 ppm2 4.386 CV 1 ASSI { 313} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.400 0.700 0.700 peak 313 spectrum 1 weight 0.11000E+01 volume 0.60854E-02 ppm1 7.803 ppm2 2.788 CV 1 ASSI { 314} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB3 )) 2.600 0.900 0.900 peak 314 spectrum 1 weight 0.11000E+01 volume 0.32042E-02 ppm1 7.803 ppm2 2.417 CV 1 ASSI { 316} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.600 0.900 0.900 peak 316 spectrum 1 weight 0.11000E+01 volume 0.30167E-02 ppm1 7.734 ppm2 4.413 CV 1 ASSI { 323} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 2.600 0.800 0.800 peak 323 spectrum 1 weight 0.11000E+01 volume 0.36506E-02 ppm1 6.700 ppm2 4.187 CV 1 ASSI { 325} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HG2%) 2.300 0.700 0.700 peak 325 spectrum 1 weight 0.11000E+01 volume 0.61215E-02 ppm1 6.700 ppm2 0.894 CV 1 ASSI { 326} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HG12)) 2.800 1.000 1.000 peak 326 spectrum 1 weight 0.11000E+01 volume 0.19818E-02 ppm1 6.700 ppm2 1.482 CV 1 ASSI { 328} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HD1%) 2.900 1.000 1.000 peak 328 spectrum 1 weight 0.11000E+01 volume 0.17897E-02 ppm1 6.700 ppm2 0.714 CV 1 ASSI { 332} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB3 )) 2.400 0.700 0.700 peak 332 spectrum 1 weight 0.11000E+01 volume 0.50539E-02 ppm1 7.977 ppm2 1.696 CV 1 ASSI { 336} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.700 0.900 0.900 peak 336 spectrum 1 weight 0.11000E+01 volume 0.28247E-02 ppm1 8.524 ppm2 3.849 CV 1 ASSI { 338} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG2 )) 2.500 0.800 0.800 peak 338 spectrum 1 weight 0.11000E+01 volume 0.42313E-02 ppm1 8.524 ppm2 1.793 CV 1 ASSI { 340} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD3 )) 3.000 1.100 1.100 peak 340 spectrum 1 weight 0.11000E+01 volume 0.15174E-02 ppm1 8.524 ppm2 1.485 CV 1 ASSI { 344} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA2 )) 2.700 0.900 0.900 peak 344 spectrum 1 weight 0.11000E+01 volume 0.29230E-02 ppm1 9.210 ppm2 3.632 CV 1 ASSI { 346} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.600 0.800 0.800 peak 346 spectrum 1 weight 0.11000E+01 volume 0.34563E-02 ppm1 7.721 ppm2 4.654 CV 1 ASSI { 348} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB3 )) 2.600 0.800 0.800 peak 348 spectrum 1 weight 0.11000E+01 volume 0.33376E-02 ppm1 7.721 ppm2 2.715 CV 1 ASSI { 351} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.500 0.800 0.800 peak 351 spectrum 1 weight 0.11000E+01 volume 0.45963E-02 ppm1 8.284 ppm2 1.694 CV 1 ASSI { 353} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG )) 2.700 0.900 0.900 peak 353 spectrum 1 weight 0.11000E+01 volume 0.29523E-02 ppm1 8.284 ppm2 1.770 CV 1 ASSI { 355} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD2%) 2.800 0.900 0.900 peak 355 spectrum 1 weight 0.11000E+01 volume 0.23671E-02 ppm1 8.284 ppm2 0.864 CV 1 ASSI { 359} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB3 )) 3.000 1.100 1.100 peak 359 spectrum 1 weight 0.11000E+01 volume 0.13547E-02 ppm1 9.035 ppm2 1.152 CV 1 ASSI { 360} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG )) 2.600 0.900 0.900 peak 360 spectrum 1 weight 0.11000E+01 volume 0.30721E-02 ppm1 9.035 ppm2 1.589 CV 1 ASSI { 363} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 2.600 0.800 0.800 peak 363 spectrum 1 weight 0.11000E+01 volume 0.37285E-02 ppm1 8.918 ppm2 5.038 CV 1 ASSI { 366} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) 2.400 0.700 0.700 peak 366 spectrum 1 weight 0.11000E+01 volume 0.52357E-02 ppm1 8.602 ppm2 5.112 CV 1 ASSI { 367} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB2 )) 2.500 0.800 0.800 peak 367 spectrum 1 weight 0.11000E+01 volume 0.38156E-02 ppm1 8.602 ppm2 1.897 CV 1 ASSI { 368} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB3 )) 2.700 0.900 0.900 peak 368 spectrum 1 weight 0.11000E+01 volume 0.26427E-02 ppm1 8.602 ppm2 1.274 CV 1 ASSI { 373} (( segid " " and resid 79 and name HN )) ( segid " " and resid 79 and name HB% ) 2.400 0.700 0.700 peak 373 spectrum 1 weight 0.11000E+01 volume 0.47713E-02 ppm1 8.987 ppm2 1.446 CV 1 ASSI { 375} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 2.400 0.700 0.700 peak 375 spectrum 1 weight 0.11000E+01 volume 0.55115E-02 ppm1 8.353 ppm2 4.810 CV 1 ASSI { 376} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB2 )) 2.900 1.000 1.000 peak 376 spectrum 1 weight 0.11000E+01 volume 0.18021E-02 ppm1 8.353 ppm2 3.798 CV 1 ASSI { 382} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) 4.000 2.000 2.000 peak 382 spectrum 1 weight 0.11000E+01 volume 0.24156E-03 ppm1 8.202 ppm2 3.793 CV 1 ASSI { 384} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 3.700 1.700 1.700 peak 384 spectrum 1 weight 0.11000E+01 volume 0.41715E-03 ppm1 8.216 ppm2 4.182 CV 1 ASSI { 385} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB )) 3.200 1.300 1.300 peak 385 spectrum 1 weight 0.11000E+01 volume 0.88061E-03 ppm1 8.216 ppm2 1.880 CV 1 ASSI { 388} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG13)) 4.000 2.000 2.000 peak 388 spectrum 1 weight 0.11000E+01 volume 0.24484E-03 ppm1 8.216 ppm2 1.251 CV 1 ASSI { 389} (( segid " " and resid 83 and name HN )) ( segid " " and resid 83 and name HD1%) 4.100 2.100 1.900 peak 389 spectrum 1 weight 0.11000E+01 volume 0.20529E-03 ppm1 8.216 ppm2 0.943 CV 1 ASSI { 393} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA1 )) 3.100 1.200 1.200 peak 393 spectrum 1 weight 0.11000E+01 volume 0.12203E-02 ppm1 7.915 ppm2 3.785 CV 1 ASSI { 394} (( segid " " and resid 76 and name HN )) (( segid " " and resid 11 and name HN )) 3.300 1.400 1.400 peak 394 spectrum 1 weight 0.11000E+01 volume 0.74344E-03 ppm1 9.035 ppm2 8.239 CV 1 ASSI { 396} (( segid " " and resid 8 and name HN )) (( segid " " and resid 26 and name HN )) 2.800 1.000 1.000 peak 396 spectrum 1 weight 0.11000E+01 volume 0.22733E-02 ppm1 9.087 ppm2 8.604 CV 1 ASSI { 398} (( segid " " and resid 24 and name HN )) (( segid " " and resid 10 and name HN )) 3.100 1.200 1.200 peak 398 spectrum 1 weight 0.11000E+01 volume 0.12214E-02 ppm1 9.084 ppm2 8.711 CV 1 ASSI { 400} (( segid " " and resid 12 and name HN )) (( segid " " and resid 22 and name HN )) 2.900 1.000 1.000 peak 400 spectrum 1 weight 0.11000E+01 volume 0.19152E-02 ppm1 9.308 ppm2 9.176 CV 1 ASSI { 402} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HN )) 3.300 1.300 1.300 peak 402 spectrum 1 weight 0.11000E+01 volume 0.82795E-03 ppm1 7.762 ppm2 8.550 CV 1 ASSI { 404} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HN )) 3.100 1.200 1.200 peak 404 spectrum 1 weight 0.11000E+01 volume 0.10898E-02 ppm1 7.762 ppm2 9.257 CV 1 ASSI { 406} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 406 spectrum 1 weight 0.11000E+01 volume 0.27376E-02 ppm1 7.762 ppm2 7.861 CV 1 ASSI { 409} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 3.600 1.700 1.700 peak 409 spectrum 1 weight 0.11000E+01 volume 0.44414E-03 ppm1 8.542 ppm2 9.269 CV 1 ASSI { 411} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HN )) 3.100 1.200 1.200 peak 411 spectrum 1 weight 0.11000E+01 volume 0.10681E-02 ppm1 9.261 ppm2 7.867 CV 1 ASSI { 412} (( segid " " and resid 31 and name HN )) (( segid " " and resid 34 and name HN )) 3.500 1.500 1.500 peak 412 spectrum 1 weight 0.11000E+01 volume 0.54878E-03 ppm1 9.261 ppm2 8.184 CV 1 ASSI { 414} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 2.600 0.800 0.800 peak 414 spectrum 1 weight 0.11000E+01 volume 0.33896E-02 ppm1 8.005 ppm2 7.774 CV 1 ASSI { 416} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 2.400 0.700 0.700 peak 416 spectrum 1 weight 0.11000E+01 volume 0.55555E-02 ppm1 9.022 ppm2 8.010 CV 1 ASSI { 418} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 2.600 0.800 0.800 peak 418 spectrum 1 weight 0.11000E+01 volume 0.35478E-02 ppm1 7.761 ppm2 8.642 CV 1 ASSI { 419} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HN )) 3.700 1.700 1.700 peak 419 spectrum 1 weight 0.11000E+01 volume 0.39726E-03 ppm1 7.761 ppm2 9.022 CV 1 ASSI { 422} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.11000E+01 volume 0.21388E-02 ppm1 8.642 ppm2 8.481 CV 1 ASSI { 424} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HN )) 3.700 1.700 1.700 peak 424 spectrum 1 weight 0.11000E+01 volume 0.38573E-03 ppm1 8.470 ppm2 7.750 CV 1 ASSI { 426} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HN )) 2.900 1.000 1.000 peak 426 spectrum 1 weight 0.11000E+01 volume 0.18790E-02 ppm1 8.470 ppm2 7.911 CV 1 ASSI { 428} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) 2.900 1.000 1.000 peak 428 spectrum 1 weight 0.11000E+01 volume 0.17377E-02 ppm1 7.911 ppm2 7.223 CV 1 ASSI { 431} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.600 0.800 0.800 peak 431 spectrum 1 weight 0.11000E+01 volume 0.35794E-02 ppm1 7.223 ppm2 7.795 CV 1 ASSI { 432} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HN )) 3.500 1.500 1.500 peak 432 spectrum 1 weight 0.11000E+01 volume 0.59543E-03 ppm1 7.223 ppm2 8.926 CV 1 ASSI { 434} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HN )) 2.400 0.700 0.700 peak 434 spectrum 1 weight 0.11000E+01 volume 0.47713E-02 ppm1 7.795 ppm2 8.926 CV 1 ASSI { 437} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HN )) 2.700 0.900 0.900 peak 437 spectrum 1 weight 0.11000E+01 volume 0.24438E-02 ppm1 7.688 ppm2 8.926 CV 1 ASSI { 438} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 3.500 1.600 1.600 peak 438 spectrum 1 weight 0.11000E+01 volume 0.53589E-03 ppm1 7.688 ppm2 8.165 CV 1 ASSI { 440} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 2.900 1.000 1.000 peak 440 spectrum 1 weight 0.11000E+01 volume 0.18891E-02 ppm1 9.172 ppm2 7.905 CV 1 ASSI { 442} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HN )) 2.400 0.700 0.700 peak 442 spectrum 1 weight 0.11000E+01 volume 0.58967E-02 ppm1 7.902 ppm2 7.291 CV 1 ASSI { 444} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HN )) 3.600 1.600 1.600 peak 444 spectrum 1 weight 0.11000E+01 volume 0.50064E-03 ppm1 7.284 ppm2 8.635 CV 1 ASSI { 446} (( segid " " and resid 54 and name HN )) (( segid " " and resid 57 and name HN )) 2.900 1.000 1.000 peak 446 spectrum 1 weight 0.11000E+01 volume 0.19173E-02 ppm1 8.839 ppm2 7.923 CV 1 ASSI { 448} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HN )) 3.600 1.600 1.600 peak 448 spectrum 1 weight 0.11000E+01 volume 0.46403E-03 ppm1 10.237 ppm2 8.835 CV 1 ASSI { 450} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 3.200 1.300 1.300 peak 450 spectrum 1 weight 0.11000E+01 volume 0.96784E-03 ppm1 8.837 ppm2 7.923 CV 1 ASSI { 451} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HN )) 3.700 1.700 1.700 peak 451 spectrum 1 weight 0.11000E+01 volume 0.37613E-03 ppm1 8.685 ppm2 8.047 CV 1 ASSI { 454} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HN )) 3.300 1.400 1.400 peak 454 spectrum 1 weight 0.11000E+01 volume 0.74254E-03 ppm1 7.923 ppm2 8.655 CV 1 ASSI { 455} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 3.500 1.500 1.500 peak 455 spectrum 1 weight 0.11000E+01 volume 0.59724E-03 ppm1 7.481 ppm2 9.201 CV 1 ASSI { 458} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 2.700 0.900 0.900 peak 458 spectrum 1 weight 0.11000E+01 volume 0.27162E-02 ppm1 7.803 ppm2 8.878 CV 1 ASSI { 460} (( segid " " and resid 67 and name HN )) (( segid " " and resid 64 and name HN )) 3.400 1.400 1.400 peak 460 spectrum 1 weight 0.11000E+01 volume 0.71260E-03 ppm1 7.803 ppm2 9.182 CV 1 ASSI { 461} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 3.000 1.100 1.100 peak 461 spectrum 1 weight 0.11000E+01 volume 0.14722E-02 ppm1 6.700 ppm2 7.778 CV 1 ASSI { 462} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HN )) 3.100 1.200 1.200 peak 462 spectrum 1 weight 0.11000E+01 volume 0.11762E-02 ppm1 6.700 ppm2 7.737 CV 1 ASSI { 465} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 3.700 1.700 1.700 peak 465 spectrum 1 weight 0.11000E+01 volume 0.43387E-03 ppm1 8.524 ppm2 9.210 CV 1 ASSI { 468} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HN )) 2.600 0.800 0.800 peak 468 spectrum 1 weight 0.11000E+01 volume 0.36404E-02 ppm1 7.721 ppm2 9.210 CV 1 ASSI { 469} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 3.200 1.300 1.300 peak 469 spectrum 1 weight 0.11000E+01 volume 0.99360E-03 ppm1 7.721 ppm2 8.284 CV 1 ASSI { 472} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 3.300 1.300 1.300 peak 472 spectrum 1 weight 0.11000E+01 volume 0.87293E-03 ppm1 8.602 ppm2 8.928 CV 1 ASSI { 473} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 3.600 1.600 1.600 peak 473 spectrum 1 weight 0.11000E+01 volume 0.48075E-03 ppm1 8.711 ppm2 8.239 CV 1 ASSI { 476} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 3.600 1.700 1.700 peak 476 spectrum 1 weight 0.11000E+01 volume 0.44031E-03 ppm1 8.239 ppm2 9.308 CV 1 ASSI { 477} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 3.900 1.900 1.900 peak 477 spectrum 1 weight 0.11000E+01 volume 0.31489E-03 ppm1 9.164 ppm2 8.736 CV 1 ASSI { 478} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 3.100 1.200 1.200 peak 478 spectrum 1 weight 0.11000E+01 volume 0.12146E-02 ppm1 8.556 ppm2 7.989 CV 1 ASSI { 480} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 3.800 1.800 1.800 peak 480 spectrum 1 weight 0.11000E+01 volume 0.36980E-03 ppm1 7.873 ppm2 9.195 CV 1 ASSI { 482} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 3.600 1.600 1.600 peak 482 spectrum 1 weight 0.11000E+01 volume 0.48200E-03 ppm1 9.084 ppm2 8.210 CV 1 ASSI { 484} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HN )) 2.600 0.800 0.800 peak 484 spectrum 1 weight 0.11000E+01 volume 0.35432E-02 ppm1 7.966 ppm2 9.022 CV 1 ASSI { 486} (( segid " " and resid 77 and name HN )) (( segid " " and resid 53 and name HN )) 2.800 1.000 1.000 peak 486 spectrum 1 weight 0.11000E+01 volume 0.21716E-02 ppm1 8.918 ppm2 9.104 CV 1 ASSI { 488} (( segid " " and resid 51 and name HN )) (( segid " " and resid 79 and name HN )) 3.100 1.200 1.200 peak 488 spectrum 1 weight 0.11000E+01 volume 0.10898E-02 ppm1 8.635 ppm2 8.987 CV 1 ASSI { 490} (( segid " " and resid 59 and name HN )) (( segid " " and resid 52 and name HN )) 3.200 1.300 1.300 peak 490 spectrum 1 weight 0.11000E+01 volume 0.90886E-03 ppm1 8.685 ppm2 8.892 CV 1 ASSI { 493} (( segid " " and resid 78 and name HN )) (( segid " " and resid 13 and name HN )) 3.400 1.400 1.400 peak 493 spectrum 1 weight 0.11000E+01 volume 0.71079E-03 ppm1 8.602 ppm2 9.164 CV 1 ASSI { 495} (( segid " " and resid 13 and name HN )) (( segid " " and resid 76 and name HN )) 3.100 1.200 1.200 peak 495 spectrum 1 weight 0.11000E+01 volume 0.10976E-02 ppm1 9.164 ppm2 9.033 CV 1 ASSI { 496} (( segid " " and resid 13 and name HN )) (( segid " " and resid 77 and name HA )) 2.200 0.600 0.600 peak 496 spectrum 1 weight 0.11000E+01 volume 0.84829E-02 ppm1 9.164 ppm2 5.038 CV 1 ASSI { 497} (( segid " " and resid 11 and name HN )) (( segid " " and resid 75 and name HA )) 2.900 1.100 1.100 peak 497 spectrum 1 weight 0.11000E+01 volume 0.16813E-02 ppm1 8.239 ppm2 5.038 CV 1 ASSI { 498} (( segid " " and resid 14 and name HN )) (( segid " " and resid 21 and name HA )) 3.400 1.500 1.500 peak 498 spectrum 1 weight 0.11000E+01 volume 0.64628E-03 ppm1 8.733 ppm2 5.355 CV 1 ASSI { 499} (( segid " " and resid 12 and name HN )) (( segid " " and resid 23 and name HA )) 3.300 1.400 1.400 peak 499 spectrum 1 weight 0.11000E+01 volume 0.78152E-03 ppm1 9.308 ppm2 4.457 CV 1 ASSI { 500} (( segid " " and resid 32 and name HN )) (( segid " " and resid 64 and name HA )) 2.700 0.900 0.900 peak 500 spectrum 1 weight 0.11000E+01 volume 0.25275E-02 ppm1 8.597 ppm2 5.250 CV 1 ASSI { 501} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 2.200 0.600 0.600 peak 501 spectrum 1 weight 0.11000E+01 volume 0.10050E-01 ppm1 9.087 ppm2 4.160 CV 1 ASSI { 503} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 2.300 0.600 0.600 peak 503 spectrum 1 weight 0.11000E+01 volume 0.79180E-02 ppm1 9.308 ppm2 5.352 CV 1 ASSI { 505} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 2.300 0.700 0.700 peak 505 spectrum 1 weight 0.11000E+01 volume 0.69938E-02 ppm1 8.628 ppm2 4.545 CV 1 ASSI { 508} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA2 )) 3.600 1.600 1.600 peak 508 spectrum 1 weight 0.11000E+01 volume 0.46527E-03 ppm1 8.195 ppm2 3.943 CV 1 ASSI { 509} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 2.600 0.800 0.800 peak 509 spectrum 1 weight 0.11000E+01 volume 0.33330E-02 ppm1 8.556 ppm2 4.557 CV 1 ASSI { 510} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 2.100 0.500 0.500 peak 510 spectrum 1 weight 0.11000E+01 volume 0.13265E-01 ppm1 7.873 ppm2 4.184 CV 1 ASSI { 511} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 2.300 0.600 0.600 peak 511 spectrum 1 weight 0.11000E+01 volume 0.78875E-02 ppm1 9.192 ppm2 5.364 CV 1 ASSI { 514} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 2.200 0.600 0.600 peak 514 spectrum 1 weight 0.11000E+01 volume 0.93970E-02 ppm1 9.084 ppm2 4.437 CV 1 ASSI { 515} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.11000E+01 volume 0.96873E-02 ppm1 8.210 ppm2 4.606 CV 1 ASSI { 518} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 3.000 1.100 1.100 peak 518 spectrum 1 weight 0.11000E+01 volume 0.13377E-02 ppm1 7.966 ppm2 4.076 CV 1 ASSI { 520} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 3.400 1.500 1.500 peak 520 spectrum 1 weight 0.11000E+01 volume 0.65905E-03 ppm1 8.642 ppm2 4.238 CV 1 ASSI { 524} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA1 )) 3.000 1.100 1.100 peak 524 spectrum 1 weight 0.11000E+01 volume 0.13886E-02 ppm1 7.689 ppm2 4.244 CV 1 ASSI { 525} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA2 )) 3.100 1.200 1.200 peak 525 spectrum 1 weight 0.11000E+01 volume 0.11660E-02 ppm1 7.688 ppm2 3.799 CV 1 ASSI { 526} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 2.300 0.600 0.600 peak 526 spectrum 1 weight 0.11000E+01 volume 0.74458E-02 ppm1 8.163 ppm2 4.039 CV 1 ASSI { 527} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 2.200 0.600 0.600 peak 527 spectrum 1 weight 0.11000E+01 volume 0.92377E-02 ppm1 8.635 ppm2 4.003 CV 1 ASSI { 528} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 2.200 0.600 0.600 peak 528 spectrum 1 weight 0.11000E+01 volume 0.93394E-02 ppm1 8.892 ppm2 4.112 CV 1 ASSI { 529} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 2.200 0.600 0.600 peak 529 spectrum 1 weight 0.11000E+01 volume 0.95563E-02 ppm1 9.104 ppm2 5.280 CV 1 ASSI { 530} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) 2.200 0.600 0.600 peak 530 spectrum 1 weight 0.11000E+01 volume 0.96727E-02 ppm1 8.839 ppm2 5.148 CV 1 ASSI { 531} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 3.000 1.100 1.100 peak 531 spectrum 1 weight 0.11000E+01 volume 0.14542E-02 ppm1 10.237 ppm2 4.931 CV 1 ASSI { 532} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 2.900 1.100 1.100 peak 532 spectrum 1 weight 0.11000E+01 volume 0.17355E-02 ppm1 8.837 ppm2 4.473 CV 1 ASSI { 533} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 3.000 1.100 1.100 peak 533 spectrum 1 weight 0.11000E+01 volume 0.13694E-02 ppm1 7.284 ppm2 4.389 CV 1 ASSI { 535} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.200 0.600 0.600 peak 535 spectrum 1 weight 0.11000E+01 volume 0.92953E-02 ppm1 8.047 ppm2 3.883 CV 1 ASSI { 536} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA )) 2.400 0.700 0.700 peak 536 spectrum 1 weight 0.11000E+01 volume 0.57227E-02 ppm1 8.525 ppm2 4.533 CV 1 ASSI { 537} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.300 0.700 0.700 peak 537 spectrum 1 weight 0.11000E+01 volume 0.61295E-02 ppm1 9.186 ppm2 4.774 CV 1 ASSI { 538} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 2.500 0.800 0.800 peak 538 spectrum 1 weight 0.11000E+01 volume 0.45465E-02 ppm1 8.795 ppm2 5.268 CV 1 ASSI { 539} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 3.100 1.200 1.200 peak 539 spectrum 1 weight 0.11000E+01 volume 0.11841E-02 ppm1 8.877 ppm2 4.762 CV 1 ASSI { 541} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 3.400 1.500 1.500 peak 541 spectrum 1 weight 0.11000E+01 volume 0.61181E-03 ppm1 7.778 ppm2 4.413 CV 1 ASSI { 544} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA2 )) 3.000 1.100 1.100 peak 544 spectrum 1 weight 0.11000E+01 volume 0.13965E-02 ppm1 6.700 ppm2 3.883 CV 1 ASSI { 545} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 2.200 0.600 0.600 peak 545 spectrum 1 weight 0.11000E+01 volume 0.81644E-02 ppm1 8.524 ppm2 4.497 CV 1 ASSI { 546} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 2.200 0.600 0.600 peak 546 spectrum 1 weight 0.11000E+01 volume 0.87394E-02 ppm1 9.210 ppm2 3.847 CV 1 ASSI { 548} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.200 0.600 0.600 peak 548 spectrum 1 weight 0.11000E+01 volume 0.83903E-02 ppm1 8.284 ppm2 4.654 CV 1 ASSI { 549} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 2.200 0.600 0.600 peak 549 spectrum 1 weight 0.11000E+01 volume 0.94693E-02 ppm1 8.602 ppm2 5.039 CV 1 ASSI { 550} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 2.200 0.600 0.600 peak 550 spectrum 1 weight 0.11000E+01 volume 0.80310E-02 ppm1 8.987 ppm2 5.112 CV 1 ASSI { 552} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 2.300 0.600 0.600 peak 552 spectrum 1 weight 0.11000E+01 volume 0.78875E-02 ppm1 8.434 ppm2 4.810 CV 1 ASSI { 553} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA1 )) 2.800 1.000 1.000 peak 553 spectrum 1 weight 0.11000E+01 volume 0.22947E-02 ppm1 7.915 ppm2 3.955 CV 1 ASSI { 554} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 3.100 1.200 1.200 peak 554 spectrum 1 weight 0.11000E+01 volume 0.11343E-02 ppm1 8.216 ppm2 4.424 CV 1 ASSI { 555} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HN )) 3.200 1.300 1.300 peak 555 spectrum 1 weight 0.11000E+01 volume 0.10166E-02 ppm1 7.915 ppm2 8.448 CV 1 ASSI { 556} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HA )) 3.200 1.300 1.300 peak 556 spectrum 1 weight 0.11000E+01 volume 0.95767E-03 ppm1 7.223 ppm2 3.302 CV 1 ASSI { 557} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG )) 3.200 1.300 1.300 peak 557 spectrum 1 weight 0.11000E+01 volume 0.10064E-02 ppm1 8.239 ppm2 1.677 CV 1 ASSI { 558} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.600 0.800 0.800 peak 558 spectrum 1 weight 0.11000E+01 volume 0.33635E-02 ppm1 8.239 ppm2 1.421 CV 1 ASSI { 560} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.400 1.400 1.400 peak 560 spectrum 1 weight 0.11000E+01 volume 0.71170E-03 ppm1 9.308 ppm2 2.759 CV 1 ASSI { 561} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB3 )) 3.100 1.200 1.200 peak 561 spectrum 1 weight 0.11000E+01 volume 0.12451E-02 ppm1 9.308 ppm2 2.558 CV 1 ASSI { 562} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB3 )) 3.400 1.400 1.400 peak 562 spectrum 1 weight 0.11000E+01 volume 0.70808E-03 ppm1 9.164 ppm2 1.281 CV 1 ASSI { 563} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.700 0.900 0.900 peak 563 spectrum 1 weight 0.11000E+01 volume 0.26981E-02 ppm1 8.628 ppm2 2.326 CV 1 ASSI { 566} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB3 )) 3.500 1.500 1.500 peak 566 spectrum 1 weight 0.11000E+01 volume 0.57001E-03 ppm1 8.556 ppm2 2.569 CV 1 ASSI { 567} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HA )) 3.200 1.300 1.300 peak 567 spectrum 1 weight 0.11000E+01 volume 0.94987E-03 ppm1 7.989 ppm2 4.535 CV 1 ASSI { 568} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB3 )) 3.400 1.400 1.400 peak 568 spectrum 1 weight 0.11000E+01 volume 0.68718E-03 ppm1 7.989 ppm2 1.953 CV 1 ASSI { 573} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB2 )) 3.300 1.300 1.300 peak 573 spectrum 1 weight 0.11000E+01 volume 0.83304E-03 ppm1 9.084 ppm2 1.729 CV 1 ASSI { 575} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB3 )) 2.800 1.000 1.000 peak 575 spectrum 1 weight 0.11000E+01 volume 0.21230E-02 ppm1 8.210 ppm2 1.339 CV 1 ASSI { 576} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB3 )) 2.800 1.000 1.000 peak 576 spectrum 1 weight 0.11000E+01 volume 0.21716E-02 ppm1 8.604 ppm2 1.703 CV 1 ASSI { 577} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HG3 )) 3.500 1.500 1.500 peak 577 spectrum 1 weight 0.11000E+01 volume 0.60639E-03 ppm1 8.604 ppm2 2.135 CV 1 ASSI { 578} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.200 0.600 0.600 peak 578 spectrum 1 weight 0.11000E+01 volume 0.85553E-02 ppm1 8.542 ppm2 4.342 CV 1 ASSI { 580} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HG1%) 2.600 0.900 0.900 peak 580 spectrum 1 weight 0.11000E+01 volume 0.32144E-02 ppm1 8.542 ppm2 0.866 CV 1 ASSI { 582} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB3 )) 2.800 1.000 1.000 peak 582 spectrum 1 weight 0.11000E+01 volume 0.21750E-02 ppm1 9.261 ppm2 1.678 CV 1 ASSI { 583} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG2 )) 3.400 1.500 1.500 peak 583 spectrum 1 weight 0.11000E+01 volume 0.63543E-03 ppm1 9.261 ppm2 1.462 CV 1 ASSI { 584} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.900 1.100 1.100 peak 584 spectrum 1 weight 0.11000E+01 volume 0.15999E-02 ppm1 7.858 ppm2 1.970 CV 1 ASSI { 585} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HG2 )) 3.400 1.400 1.400 peak 585 spectrum 1 weight 0.11000E+01 volume 0.67803E-03 ppm1 7.858 ppm2 1.843 CV 1 ASSI { 586} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB3 )) 3.100 1.200 1.200 peak 586 spectrum 1 weight 0.11000E+01 volume 0.12157E-02 ppm1 7.858 ppm2 1.665 CV 1 ASSI { 587} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.900 1.100 1.100 peak 587 spectrum 1 weight 0.11000E+01 volume 0.17309E-02 ppm1 7.762 ppm2 4.418 CV 1 ASSI { 588} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.300 1.400 1.400 peak 588 spectrum 1 weight 0.11000E+01 volume 0.76706E-03 ppm1 7.762 ppm2 4.177 CV 1 ASSI { 589} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB3 )) 2.500 0.800 0.800 peak 589 spectrum 1 weight 0.11000E+01 volume 0.40257E-02 ppm1 7.762 ppm2 3.797 CV 1 ASSI { 593} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HG2 )) 4.000 2.000 2.000 peak 593 spectrum 1 weight 0.11000E+01 volume 0.27015E-03 ppm1 7.858 ppm2 1.450 CV 1 ASSI { 594} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HB3 )) 2.700 0.900 0.900 peak 594 spectrum 1 weight 0.11000E+01 volume 0.28133E-02 ppm1 7.762 ppm2 1.678 CV 1 ASSI { 595} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB3 )) 3.000 1.100 1.100 peak 595 spectrum 1 weight 0.11000E+01 volume 0.13728E-02 ppm1 9.261 ppm2 3.911 CV 1 ASSI { 596} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 3.500 1.500 1.500 peak 596 spectrum 1 weight 0.11000E+01 volume 0.59181E-03 ppm1 8.528 ppm2 3.543 CV 1 ASSI { 597} (( segid " " and resid 34 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.100 1.200 1.200 peak 597 spectrum 1 weight 0.11000E+01 volume 0.11183E-02 ppm1 8.179 ppm2 4.596 CV 1 ASSI { 598} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HB% ) 2.500 0.800 0.800 peak 598 spectrum 1 weight 0.11000E+01 volume 0.45601E-02 ppm1 8.179 ppm2 1.488 CV 1 ASSI { 599} (( segid " " and resid 33 and name HN )) ( segid " " and resid 32 and name HG1%) 3.300 1.300 1.300 peak 599 spectrum 1 weight 0.11000E+01 volume 0.84208E-03 ppm1 8.528 ppm2 1.044 CV 1 ASSI { 600} (( segid " " and resid 33 and name HN )) ( segid " " and resid 32 and name HG2%) 2.900 1.100 1.100 peak 600 spectrum 1 weight 0.11000E+01 volume 0.16428E-02 ppm1 8.528 ppm2 0.739 CV 1 ASSI { 601} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB )) 2.600 0.900 0.900 peak 601 spectrum 1 weight 0.11000E+01 volume 0.32709E-02 ppm1 9.022 ppm2 2.198 CV 1 ASSI { 602} (( segid " " and resid 36 and name HN )) ( segid " " and resid 35 and name HG1%) 3.100 1.200 1.200 peak 602 spectrum 1 weight 0.11000E+01 volume 0.10937E-02 ppm1 9.022 ppm2 1.107 CV 1 ASSI { 603} (( segid " " and resid 36 and name HN )) ( segid " " and resid 35 and name HG2%) 2.700 0.900 0.900 peak 603 spectrum 1 weight 0.11000E+01 volume 0.28427E-02 ppm1 9.022 ppm2 0.752 CV 1 ASSI { 605} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HA )) 2.900 1.000 1.000 peak 605 spectrum 1 weight 0.11000E+01 volume 0.18123E-02 ppm1 8.005 ppm2 4.069 CV 1 ASSI { 606} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.900 1.000 1.000 peak 606 spectrum 1 weight 0.11000E+01 volume 0.18101E-02 ppm1 8.005 ppm2 1.882 CV 1 ASSI { 607} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) 3.500 1.500 1.500 peak 607 spectrum 1 weight 0.11000E+01 volume 0.58278E-03 ppm1 8.005 ppm2 3.851 CV 1 ASSI { 608} (( segid " " and resid 38 and name HN )) ( segid " " and resid 37 and name HB% ) 2.500 0.800 0.800 peak 608 spectrum 1 weight 0.11000E+01 volume 0.44573E-02 ppm1 7.761 ppm2 1.568 CV 1 ASSI { 609} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) 2.800 1.000 1.000 peak 609 spectrum 1 weight 0.11000E+01 volume 0.21512E-02 ppm1 7.761 ppm2 3.851 CV 1 ASSI { 610} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) 3.100 1.200 1.200 peak 610 spectrum 1 weight 0.11000E+01 volume 0.11513E-02 ppm1 8.642 ppm2 4.371 CV 1 ASSI { 611} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.800 1.000 1.000 peak 611 spectrum 1 weight 0.11000E+01 volume 0.23309E-02 ppm1 8.642 ppm2 2.486 CV 1 ASSI { 612} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB3 )) 3.000 1.100 1.100 peak 612 spectrum 1 weight 0.11000E+01 volume 0.13457E-02 ppm1 8.642 ppm2 2.099 CV 1 ASSI { 613} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG3 )) 3.600 1.600 1.600 peak 613 spectrum 1 weight 0.11000E+01 volume 0.49035E-03 ppm1 8.642 ppm2 2.643 CV 1 ASSI { 616} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HG2%) 2.800 1.000 1.000 peak 616 spectrum 1 weight 0.11000E+01 volume 0.20620E-02 ppm1 8.470 ppm2 0.722 CV 1 ASSI { 617} (( segid " " and resid 40 and name HN )) (( segid " " and resid 37 and name HA )) 3.000 1.100 1.100 peak 617 spectrum 1 weight 0.11000E+01 volume 0.14779E-02 ppm1 8.470 ppm2 4.298 CV 1 ASSI { 618} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.900 1.000 1.000 peak 618 spectrum 1 weight 0.11000E+01 volume 0.18711E-02 ppm1 7.911 ppm2 2.353 CV 1 ASSI { 619} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HG3 )) 3.300 1.400 1.400 peak 619 spectrum 1 weight 0.11000E+01 volume 0.78886E-03 ppm1 7.911 ppm2 1.942 CV 1 ASSI { 620} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB3 )) 3.100 1.200 1.200 peak 620 spectrum 1 weight 0.11000E+01 volume 0.11129E-02 ppm1 7.911 ppm2 1.834 CV 1 ASSI { 623} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB3 )) 3.200 1.300 1.300 peak 623 spectrum 1 weight 0.11000E+01 volume 0.94602E-03 ppm1 7.795 ppm2 1.292 CV 1 ASSI { 624} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HD3 )) 3.700 1.800 1.800 peak 624 spectrum 1 weight 0.11000E+01 volume 0.37116E-03 ppm1 7.795 ppm2 1.091 CV 1 ASSI { 625} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name HA )) 3.100 1.200 1.200 peak 625 spectrum 1 weight 0.11000E+01 volume 0.11637E-02 ppm1 8.926 ppm2 3.924 CV 1 ASSI { 626} (( segid " " and resid 44 and name HN )) ( segid " " and resid 43 and name HG2%) 3.400 1.400 1.400 peak 626 spectrum 1 weight 0.11000E+01 volume 0.70073E-03 ppm1 8.926 ppm2 0.855 CV 1 ASSI { 628} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HG12)) 3.800 1.800 1.800 peak 628 spectrum 1 weight 0.11000E+01 volume 0.32122E-03 ppm1 8.926 ppm2 1.326 CV 1 ASSI { 630} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HA2 )) 3.500 1.500 1.500 peak 630 spectrum 1 weight 0.11000E+01 volume 0.56278E-03 ppm1 7.795 ppm2 3.803 CV 1 ASSI { 632} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) 3.900 1.900 1.900 peak 632 spectrum 1 weight 0.11000E+01 volume 0.30043E-03 ppm1 7.688 ppm2 4.528 CV 1 ASSI { 633} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HD2 )) 3.300 1.300 1.300 peak 633 spectrum 1 weight 0.11000E+01 volume 0.82151E-03 ppm1 9.172 ppm2 3.961 CV 1 ASSI { 634} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HD3 )) 3.300 1.400 1.400 peak 634 spectrum 1 weight 0.11000E+01 volume 0.75791E-03 ppm1 9.172 ppm2 3.679 CV 1 ASSI { 635} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG3 )) 3.700 1.700 1.700 peak 635 spectrum 1 weight 0.11000E+01 volume 0.40438E-03 ppm1 9.172 ppm2 1.610 CV 1 ASSI { 636} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB3 )) 2.400 0.700 0.700 peak 636 spectrum 1 weight 0.11000E+01 volume 0.58459E-02 ppm1 9.172 ppm2 1.998 CV 1 ASSI { 638} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB2 )) 2.900 1.100 1.100 peak 638 spectrum 1 weight 0.11000E+01 volume 0.17309E-02 ppm1 9.087 ppm2 1.916 CV 1 ASSI { 639} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 2.200 0.600 0.600 peak 639 spectrum 1 weight 0.11000E+01 volume 0.83394E-02 ppm1 8.711 ppm2 4.808 CV 1 ASSI { 642} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HG2 )) 2.900 2.900 3.100 peak 642 spectrum 1 weight 0.11000E+01 volume 0.18101E-02 ppm1 8.711 ppm2 2.351 CV 1 ASSI { 643} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HG3 )) 3.200 1.300 1.300 peak 643 spectrum 1 weight 0.11000E+01 volume 0.99744E-03 ppm1 7.902 ppm2 2.292 CV 1 ASSI { 644} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB3 )) 3.100 1.200 1.200 peak 644 spectrum 1 weight 0.11000E+01 volume 0.12711E-02 ppm1 7.902 ppm2 2.045 CV 1 ASSI { 645} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HG2 )) 3.400 1.400 1.400 peak 645 spectrum 1 weight 0.11000E+01 volume 0.72435E-03 ppm1 7.902 ppm2 2.527 CV 1 ASSI { 646} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HB3 )) 3.600 3.600 2.400 peak 646 spectrum 1 weight 0.11000E+01 volume 0.45951E-03 ppm1 7.902 ppm2 1.881 CV 1 ASSI { 647} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB )) 3.100 1.200 1.200 peak 647 spectrum 1 weight 0.11000E+01 volume 0.12214E-02 ppm1 7.284 ppm2 4.220 CV 1 ASSI { 649} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HG2 )) 3.700 1.700 1.700 peak 649 spectrum 1 weight 0.11000E+01 volume 0.38664E-03 ppm1 8.635 ppm2 2.516 CV 1 ASSI { 650} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB2 )) 3.100 1.200 1.200 peak 650 spectrum 1 weight 0.11000E+01 volume 0.12055E-02 ppm1 8.635 ppm2 1.951 CV 1 ASSI { 651} (( segid " " and resid 48 and name HN )) ( segid " " and resid 46 and name HD1%) 3.300 1.400 1.400 peak 651 spectrum 1 weight 0.11000E+01 volume 0.81259E-03 ppm1 9.172 ppm2 0.929 CV 1 ASSI { 652} (( segid " " and resid 48 and name HN )) ( segid " " and resid 46 and name HG2%) 3.100 1.200 1.200 peak 652 spectrum 1 weight 0.11000E+01 volume 0.11366E-02 ppm1 9.172 ppm2 1.105 CV 1 ASSI { 653} (( segid " " and resid 49 and name HN )) ( segid " " and resid 46 and name HD1%) 3.200 1.300 1.300 peak 653 spectrum 1 weight 0.11000E+01 volume 0.92942E-03 ppm1 7.902 ppm2 0.929 CV 1 ASSI { 657} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB )) 3.300 1.400 1.400 peak 657 spectrum 1 weight 0.11000E+01 volume 0.77610E-03 ppm1 9.104 ppm2 1.728 CV 1 ASSI { 658} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HG2%) 2.500 0.800 0.800 peak 658 spectrum 1 weight 0.11000E+01 volume 0.47205E-02 ppm1 9.104 ppm2 0.741 CV 1 ASSI { 659} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB )) 2.700 0.900 0.900 peak 659 spectrum 1 weight 0.11000E+01 volume 0.24145E-02 ppm1 8.839 ppm2 3.820 CV 1 ASSI { 661} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 2.300 2.300 3.700 peak 661 spectrum 1 weight 0.11000E+01 volume 0.78774E-02 ppm1 8.685 ppm2 4.643 CV 1 ASSI { 662} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HD2 )) 3.500 1.600 1.600 peak 662 spectrum 1 weight 0.11000E+01 volume 0.53205E-03 ppm1 8.685 ppm2 3.186 CV 1 ASSI { 663} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB2 )) 2.600 2.600 3.400 peak 663 spectrum 1 weight 0.11000E+01 volume 0.33534E-02 ppm1 8.685 ppm2 1.752 CV 1 ASSI { 664} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.100 1.200 1.200 peak 664 spectrum 1 weight 0.11000E+01 volume 0.10809E-02 ppm1 8.047 ppm2 1.411 CV 1 ASSI { 666} (( segid " " and resid 60 and name HN )) ( segid " " and resid 59 and name HD1%) 3.800 1.800 1.800 peak 666 spectrum 1 weight 0.11000E+01 volume 0.32438E-03 ppm1 8.047 ppm2 0.482 CV 1 ASSI { 668} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.100 1.200 1.200 peak 668 spectrum 1 weight 0.11000E+01 volume 0.10885E-02 ppm1 8.525 ppm2 2.166 CV 1 ASSI { 669} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB3 )) 2.900 1.100 1.100 peak 669 spectrum 1 weight 0.11000E+01 volume 0.15648E-02 ppm1 8.525 ppm2 1.902 CV 1 ASSI { 672} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HE2 )) 3.900 1.900 1.900 peak 672 spectrum 1 weight 0.11000E+01 volume 0.29489E-03 ppm1 9.186 ppm2 2.962 CV 1 ASSI { 673} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HG2 )) 2.900 1.000 1.000 peak 673 spectrum 1 weight 0.11000E+01 volume 0.17580E-02 ppm1 9.186 ppm2 1.681 CV 1 ASSI { 674} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HD2 )) 3.200 1.300 1.300 peak 674 spectrum 1 weight 0.11000E+01 volume 0.98072E-03 ppm1 9.186 ppm2 1.387 CV 1 ASSI { 675} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB2 )) 2.400 0.700 0.700 peak 675 spectrum 1 weight 0.11000E+01 volume 0.54177E-02 ppm1 8.795 ppm2 2.269 CV 1 ASSI { 676} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB3 )) 3.000 1.100 1.100 peak 676 spectrum 1 weight 0.11000E+01 volume 0.13309E-02 ppm1 8.795 ppm2 2.034 CV 1 ASSI { 678} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HG3 )) 3.700 1.700 1.700 peak 678 spectrum 1 weight 0.11000E+01 volume 0.37703E-03 ppm1 8.795 ppm2 2.621 CV 1 ASSI { 679} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB3 )) 3.200 1.300 1.300 peak 679 spectrum 1 weight 0.11000E+01 volume 0.90242E-03 ppm1 8.877 ppm2 1.775 CV 1 ASSI { 680} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB2 )) 3.000 1.100 1.100 peak 680 spectrum 1 weight 0.11000E+01 volume 0.15208E-02 ppm1 8.877 ppm2 2.415 CV 1 ASSI { 682} (( segid " " and resid 67 and name HN )) ( segid " " and resid 66 and name HB% ) 2.500 0.800 0.800 peak 682 spectrum 1 weight 0.11000E+01 volume 0.40054E-02 ppm1 7.803 ppm2 1.469 CV 1 ASSI { 683} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA )) 3.100 1.200 1.200 peak 683 spectrum 1 weight 0.11000E+01 volume 0.11366E-02 ppm1 7.734 ppm2 4.196 CV 1 ASSI { 684} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HA )) 3.900 1.900 1.900 peak 684 spectrum 1 weight 0.11000E+01 volume 0.30224E-03 ppm1 7.778 ppm2 4.196 CV 1 ASSI { 688} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.000 1.100 1.100 peak 688 spectrum 1 weight 0.11000E+01 volume 0.14281E-02 ppm1 9.210 ppm2 1.870 CV 1 ASSI { 689} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA2 )) 3.000 1.200 1.200 peak 689 spectrum 1 weight 0.11000E+01 volume 0.13050E-02 ppm1 7.721 ppm2 3.632 CV 1 ASSI { 690} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HA )) 3.000 1.100 1.100 peak 690 spectrum 1 weight 0.11000E+01 volume 0.15163E-02 ppm1 7.721 ppm2 3.856 CV 1 ASSI { 692} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB3 )) 2.600 2.600 3.400 peak 692 spectrum 1 weight 0.11000E+01 volume 0.30641E-02 ppm1 8.284 ppm2 2.715 CV 1 ASSI { 693} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD2%) 2.800 1.000 1.000 peak 693 spectrum 1 weight 0.11000E+01 volume 0.22405E-02 ppm1 9.035 ppm2 0.870 CV 1 ASSI { 696} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB3 )) 3.100 1.200 1.200 peak 696 spectrum 1 weight 0.11000E+01 volume 0.12620E-02 ppm1 8.918 ppm2 1.129 CV 1 ASSI { 701} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.500 1.500 1.500 peak 701 spectrum 1 weight 0.11000E+01 volume 0.59363E-03 ppm1 8.987 ppm2 1.900 CV 1 ASSI { 702} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB3 )) 3.200 3.200 2.800 peak 702 spectrum 1 weight 0.11000E+01 volume 0.96534E-03 ppm1 8.987 ppm2 1.248 CV 1 ASSI { 703} (( segid " " and resid 80 and name HN )) ( segid " " and resid 79 and name HB% ) 2.700 0.900 0.900 peak 703 spectrum 1 weight 0.11000E+01 volume 0.26721E-02 ppm1 8.353 ppm2 1.446 CV 1 ASSI { 704} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 704 spectrum 1 weight 0.11000E+01 volume 0.13818E-02 ppm1 8.434 ppm2 3.789 CV 1 ASSI { 705} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB2 )) 3.500 1.600 1.600 peak 705 spectrum 1 weight 0.11000E+01 volume 0.52561E-03 ppm1 8.216 ppm2 3.793 CV 1 ASSI { 706} (( segid " " and resid 73 and name HN )) (( segid " " and resid 10 and name HA )) 3.300 1.300 1.300 peak 706 spectrum 1 weight 0.11000E+01 volume 0.86909E-03 ppm1 9.210 ppm2 4.599 CV 1 ASSI { 707} (( segid " " and resid 74 and name HN )) (( segid " " and resid 10 and name HG )) 2.900 1.100 1.100 peak 707 spectrum 1 weight 0.11000E+01 volume 0.16711E-02 ppm1 7.721 ppm2 1.679 CV 1 ASSI { 708} (( segid " " and resid 74 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.400 1.400 1.400 peak 708 spectrum 1 weight 0.11000E+01 volume 0.70255E-03 ppm1 7.721 ppm2 1.446 CV 1 ASSI { 709} (( segid " " and resid 74 and name HN )) ( segid " " and resid 10 and name HD2%) 2.500 0.800 0.800 peak 709 spectrum 1 weight 0.11000E+01 volume 0.41545E-02 ppm1 7.721 ppm2 0.747 CV 1 ASSI { 710} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HD% ) 2.500 0.800 0.800 peak 710 spectrum 1 weight 0.11000E+01 volume 0.42878E-02 ppm1 7.734 ppm2 7.249 CV 1 ASSI { 711} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HE% ) 3.100 1.200 1.200 peak 711 spectrum 1 weight 0.11000E+01 volume 0.11343E-02 ppm1 7.734 ppm2 6.706 CV 1 ASSI { 713} (( segid " " and resid 60 and name HN )) ( segid " " and resid 68 and name HE% ) 3.100 1.200 1.200 peak 713 spectrum 1 weight 0.11000E+01 volume 0.11366E-02 ppm1 8.047 ppm2 6.731 CV 1 ASSI { 714} (( segid " " and resid 81 and name HN )) ( segid " " and resid 81 and name HD% ) 3.500 1.500 1.500 peak 714 spectrum 1 weight 0.11000E+01 volume 0.55522E-03 ppm1 8.434 ppm2 7.089 CV 1 ASSI { 715} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD% ) 3.100 1.200 1.200 peak 715 spectrum 1 weight 0.11000E+01 volume 0.11852E-02 ppm1 8.239 ppm2 6.970 CV 1 ASSI { 716} (( segid " " and resid 12 and name HN )) ( segid " " and resid 11 and name HD% ) 3.700 1.700 1.700 peak 716 spectrum 1 weight 0.11000E+01 volume 0.43126E-03 ppm1 9.308 ppm2 6.970 CV 1 ASSI { 717} (( segid " " and resid 26 and name HN )) (( segid " " and resid 9 and name HA )) 2.600 0.900 0.900 peak 717 spectrum 1 weight 0.11000E+01 volume 0.30789E-02 ppm1 8.604 ppm2 4.810 CV 1 ASSI { 718} (( segid " " and resid 24 and name HN )) (( segid " " and resid 11 and name HA )) 3.100 1.200 1.200 peak 718 spectrum 1 weight 0.11000E+01 volume 0.12055E-02 ppm1 9.084 ppm2 5.358 CV 1 ASSI { 719} (( segid " " and resid 22 and name HN )) (( segid " " and resid 13 and name HA )) 3.400 1.500 1.500 peak 719 spectrum 1 weight 0.11000E+01 volume 0.65814E-03 ppm1 9.192 ppm2 4.529 CV 1 ASSI { 720} (( segid " " and resid 65 and name HN )) (( segid " " and resid 30 and name HN )) 3.600 1.600 1.600 peak 720 spectrum 1 weight 0.11000E+01 volume 0.45442E-03 ppm1 8.795 ppm2 7.776 CV 1 ASSI { 722} (( segid " " and resid 65 and name HN )) (( segid " " and resid 31 and name HA )) 2.900 1.000 1.000 peak 722 spectrum 1 weight 0.11000E+01 volume 0.19072E-02 ppm1 8.795 ppm2 5.147 CV 1 ASSI { 725} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HN )) 3.900 1.900 1.900 peak 725 spectrum 1 weight 0.11000E+01 volume 0.30133E-03 ppm1 9.172 ppm2 7.284 CV 1 ASSI { 727} (( segid " " and resid 81 and name HN )) (( segid " " and resid 50 and name HA )) 3.700 3.700 2.300 peak 727 spectrum 1 weight 0.11000E+01 volume 0.37161E-03 ppm1 8.434 ppm2 4.036 CV 1 ASSI { 728} (( segid " " and resid 81 and name HN )) (( segid " " and resid 49 and name HA )) 3.900 1.900 1.900 peak 728 spectrum 1 weight 0.11000E+01 volume 0.28315E-03 ppm1 8.434 ppm2 4.402 CV 1 ASSI { 730} (( segid " " and resid 54 and name HN )) ( segid " " and resid 59 and name HD1%) 3.400 1.500 1.500 peak 730 spectrum 1 weight 0.11000E+01 volume 0.64447E-03 ppm1 8.839 ppm2 0.479 CV 1 ASSI { 731} (( segid " " and resid 54 and name HN )) ( segid " " and resid 59 and name HD2%) 3.400 1.500 1.500 peak 731 spectrum 1 weight 0.11000E+01 volume 0.64628E-03 ppm1 8.839 ppm2 0.074 CV 1 ASSI { 733} (( segid " " and resid 59 and name HN )) (( segid " " and resid 54 and name HN )) 3.000 1.100 1.100 peak 733 spectrum 1 weight 0.11000E+01 volume 0.13231E-02 ppm1 8.685 ppm2 8.838 CV 1 ASSI { 735} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HN )) 3.200 1.300 1.300 peak 735 spectrum 1 weight 0.11000E+01 volume 0.93191E-03 ppm1 9.104 ppm2 8.828 CV 1 ASSI { 736} (( segid " " and resid 53 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.200 1.200 1.200 peak 736 spectrum 1 weight 0.11000E+01 volume 0.10525E-02 ppm1 9.104 ppm2 2.970 CV 1 ASSI { 737} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HN )) 3.400 1.500 1.500 peak 737 spectrum 1 weight 0.11000E+01 volume 0.61452E-03 ppm1 7.721 ppm2 7.971 CV 1 ASSI { 740} (( segid " " and resid 73 and name HN )) ( segid " " and resid 11 and name HE% ) 3.900 1.900 1.900 peak 740 spectrum 1 weight 0.11000E+01 volume 0.29942E-03 ppm1 9.210 ppm2 7.321 CV 1 ASSI { 741} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD% ) 2.900 1.100 1.100 peak 741 spectrum 1 weight 0.11000E+01 volume 0.16021E-02 ppm1 8.918 ppm2 7.229 CV 1 ASSI { 742} (( segid " " and resid 78 and name HN )) ( segid " " and resid 77 and name HD% ) 3.600 1.600 1.600 peak 742 spectrum 1 weight 0.11000E+01 volume 0.45635E-03 ppm1 8.602 ppm2 7.213 CV 1 ASSI { 744} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HN )) 3.700 1.800 1.800 peak 744 spectrum 1 weight 0.11000E+01 volume 0.37296E-03 ppm1 8.556 ppm2 8.181 CV 1 ASSI { 745} (( segid " " and resid 63 and name HN )) ( segid " " and resid 68 and name HE% ) 3.600 1.700 1.700 peak 745 spectrum 1 weight 0.11000E+01 volume 0.43770E-03 ppm1 7.481 ppm2 6.737 CV 1 ASSI { 746} (( segid " " and resid 63 and name HN )) (( segid " " and resid 32 and name HN )) 3.600 1.600 1.600 peak 746 spectrum 1 weight 0.11000E+01 volume 0.48776E-03 ppm1 7.481 ppm2 8.596 CV 1 ASSI { 749} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 3.700 1.800 1.800 peak 749 spectrum 1 weight 0.11000E+01 volume 0.37478E-03 ppm1 8.604 ppm2 8.210 CV 1 ASSI { 750} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 3.700 1.700 1.700 peak 750 spectrum 1 weight 0.11000E+01 volume 0.41262E-03 ppm1 8.284 ppm2 9.042 CV 1 ASSI { 751} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HD2 )) 2.900 1.000 1.000 peak 751 spectrum 1 weight 0.11000E+01 volume 0.17434E-02 ppm1 9.192 ppm2 6.704 CV 1 ASSI { 752} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 3.300 1.400 1.400 peak 752 spectrum 1 weight 0.11000E+01 volume 0.73621E-03 ppm1 6.700 ppm2 7.982 CV 1 ASSI { 754} (( segid " " and resid 67 and name HN )) ( segid " " and resid 68 and name HD% ) 3.000 1.100 1.100 peak 754 spectrum 1 weight 0.11000E+01 volume 0.13254E-02 ppm1 7.803 ppm2 7.244 CV 1 ASSI { 755} (( segid " " and resid 67 and name HN )) ( segid " " and resid 68 and name HE% ) 3.500 1.500 1.500 peak 755 spectrum 1 weight 0.11000E+01 volume 0.58459E-03 ppm1 7.803 ppm2 6.721 CV 1 ASSI { 756} (( segid " " and resid 66 and name HN )) ( segid " " and resid 68 and name HD% ) 4.000 2.000 2.000 peak 756 spectrum 1 weight 0.11000E+01 volume 0.25546E-03 ppm1 8.877 ppm2 7.244 CV 1 ASSI { 757} (( segid " " and resid 59 and name HN )) ( segid " " and resid 68 and name HE% ) 4.200 2.200 1.800 peak 757 spectrum 1 weight 0.11000E+01 volume 0.19739E-03 ppm1 8.685 ppm2 6.721 CV 1 ASSI { 758} (( segid " " and resid 57 and name HN )) ( segid " " and resid 68 and name HD% ) 4.000 2.000 2.000 peak 758 spectrum 1 weight 0.11000E+01 volume 0.25444E-03 ppm1 7.923 ppm2 7.244 CV 1 ASSI { 759} (( segid " " and resid 64 and name HN )) ( segid " " and resid 68 and name HD% ) 4.100 4.100 1.900 peak 759 spectrum 1 weight 0.11000E+01 volume 0.23072E-03 ppm1 9.186 ppm2 7.275 CV 1 ASSI { 760} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 3.800 1.800 1.800 peak 760 spectrum 1 weight 0.11000E+01 volume 0.32946E-03 ppm1 8.892 ppm2 9.104 CV 1 ASSI { 762} (( segid " " and resid 57 and name HN )) (( segid " " and resid 53 and name HA )) 3.600 1.600 1.600 peak 762 spectrum 1 weight 0.11000E+01 volume 0.48132E-03 ppm1 7.923 ppm2 5.148 CV 1 ASSI { 763} (( segid " " and resid 57 and name HN )) (( segid " " and resid 53 and name HB )) 3.300 1.300 1.300 peak 763 spectrum 1 weight 0.11000E+01 volume 0.85112E-03 ppm1 7.923 ppm2 3.823 CV 1 ASSI { 764} (( segid " " and resid 51 and name HN )) ( segid " " and resid 79 and name HB% ) 2.700 0.900 0.900 peak 764 spectrum 1 weight 0.11000E+01 volume 0.28721E-02 ppm1 8.635 ppm2 1.427 CV 1 ASSI { 765} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 4.000 2.000 2.000 peak 765 spectrum 1 weight 0.11000E+01 volume 0.26438E-03 ppm1 8.353 ppm2 9.001 CV 1 ASSI { 767} (( segid " " and resid 14 and name HN )) ( segid " " and resid 13 and name HG1%) 2.800 1.000 1.000 peak 767 spectrum 1 weight 0.11000E+01 volume 0.21794E-02 ppm1 8.733 ppm2 0.917 CV 1 ASSI { 769} (( segid " " and resid 59 and name HN )) ( segid " " and resid 53 and name HG2%) 3.000 1.200 1.200 peak 769 spectrum 1 weight 0.11000E+01 volume 0.12982E-02 ppm1 8.685 ppm2 0.964 CV 1 ASSI { 770} (( segid " " and resid 60 and name HN )) ( segid " " and resid 32 and name HG2%) 3.200 1.300 1.300 peak 770 spectrum 1 weight 0.11000E+01 volume 0.96534E-03 ppm1 8.047 ppm2 0.718 CV 1 ASSI { 771} (( segid " " and resid 60 and name HN )) ( segid " " and resid 32 and name HG1%) 2.900 1.000 1.000 peak 771 spectrum 1 weight 0.11000E+01 volume 0.18688E-02 ppm1 8.047 ppm2 1.042 CV 1 ASSI { 772} (( segid " " and resid 63 and name HN )) ( segid " " and resid 32 and name HG1%) 2.900 1.000 1.000 peak 772 spectrum 1 weight 0.11000E+01 volume 0.18868E-02 ppm1 7.481 ppm2 1.060 CV 1 ASSI { 773} (( segid " " and resid 63 and name HN )) ( segid " " and resid 32 and name HG2%) 3.400 1.400 1.400 peak 773 spectrum 1 weight 0.11000E+01 volume 0.70717E-03 ppm1 7.481 ppm2 0.718 CV 1 ASSI { 774} (( segid " " and resid 64 and name HN )) ( segid " " and resid 32 and name HG1%) 3.300 1.400 1.400 peak 774 spectrum 1 weight 0.11000E+01 volume 0.77519E-03 ppm1 9.186 ppm2 1.042 CV 1 ASSI { 775} (( segid " " and resid 65 and name HN )) ( segid " " and resid 32 and name HG1%) 3.300 1.400 1.400 peak 775 spectrum 1 weight 0.11000E+01 volume 0.78706E-03 ppm1 8.795 ppm2 1.060 CV 1 ASSI { 776} (( segid " " and resid 65 and name HN )) ( segid " " and resid 70 and name HD1%) 3.600 1.600 1.600 peak 776 spectrum 1 weight 0.11000E+01 volume 0.48324E-03 ppm1 8.795 ppm2 0.718 CV 1 ASSI { 778} (( segid " " and resid 81 and name HN )) (( segid " " and resid 51 and name HG12)) 4.000 2.000 2.000 peak 778 spectrum 1 weight 0.11000E+01 volume 0.23739E-03 ppm1 8.434 ppm2 0.864 CV 1 ASSI { 779} (( segid " " and resid 81 and name HN )) ( segid " " and resid 51 and name HD1%) 3.700 3.700 2.300 peak 779 spectrum 1 weight 0.11000E+01 volume 0.41647E-03 ppm1 8.434 ppm2 0.669 CV 1 ASSI { 780} (( segid " " and resid 10 and name HN )) ( segid " " and resid 23 and name HD2%) 2.900 1.100 1.100 peak 780 spectrum 1 weight 0.11000E+01 volume 0.17355E-02 ppm1 8.711 ppm2 0.546 CV 1 ASSI { 781} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HD2%) 2.600 0.900 0.900 peak 781 spectrum 1 weight 0.11000E+01 volume 0.32042E-02 ppm1 9.084 ppm2 0.546 CV 1 ASSI { 784} (( segid " " and resid 68 and name HN )) (( segid " " and resid 70 and name HG12)) 3.600 1.600 1.600 peak 784 spectrum 1 weight 0.11000E+01 volume 0.51092E-03 ppm1 7.734 ppm2 1.482 CV 1 ASSI { 785} (( segid " " and resid 68 and name HN )) ( segid " " and resid 70 and name HG2%) 3.700 1.700 1.700 peak 785 spectrum 1 weight 0.11000E+01 volume 0.42743E-03 ppm1 7.734 ppm2 0.894 CV 1 ASSI { 786} (( segid " " and resid 68 and name HN )) ( segid " " and resid 70 and name HD1%) 3.500 1.500 1.500 peak 786 spectrum 1 weight 0.11000E+01 volume 0.56549E-03 ppm1 7.734 ppm2 0.739 CV 1 ASSI { 788} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HB3 )) 3.600 1.600 1.600 peak 788 spectrum 1 weight 0.11000E+01 volume 0.46279E-03 ppm1 6.700 ppm2 2.724 CV 1 ASSI { 792} (( segid " " and resid 73 and name HN )) ( segid " " and resid 10 and name HD2%) 3.000 1.100 1.100 peak 792 spectrum 1 weight 0.11000E+01 volume 0.13830E-02 ppm1 9.210 ppm2 0.750 CV 1 ASSI { 793} (( segid " " and resid 73 and name HN )) (( segid " " and resid 10 and name HG )) 3.400 1.500 1.500 peak 793 spectrum 1 weight 0.11000E+01 volume 0.62086E-03 ppm1 9.210 ppm2 1.672 CV 1 ASSI { 796} (( segid " " and resid 71 and name HN )) ( segid " " and resid 70 and name HD1%) 2.700 0.900 0.900 peak 796 spectrum 1 weight 0.11000E+01 volume 0.28461E-02 ppm1 7.977 ppm2 0.722 CV 1 ASSI { 797} (( segid " " and resid 78 and name HN )) ( segid " " and resid 13 and name HG2%) 3.600 1.700 1.700 peak 797 spectrum 1 weight 0.11000E+01 volume 0.44347E-03 ppm1 8.602 ppm2 0.600 CV 1 ASSI { 800} (( segid " " and resid 15 and name HN )) (( segid " " and resid 78 and name HB3 )) 4.000 4.000 2.000 peak 800 spectrum 1 weight 0.11000E+01 volume 0.26472E-03 ppm1 8.628 ppm2 1.295 CV 1 ASSI { 801} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HN )) 3.700 1.700 1.700 peak 801 spectrum 1 weight 0.11000E+01 volume 0.40754E-03 ppm1 7.959 ppm2 8.570 CV 1 ASSI { 802} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HA )) 3.700 1.700 1.700 peak 802 spectrum 1 weight 0.11000E+01 volume 0.38347E-03 ppm1 7.959 ppm2 4.561 CV 1 ASSI { 803} (( segid " " and resid 20 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.200 1.300 1.300 peak 803 spectrum 1 weight 0.11000E+01 volume 0.10180E-02 ppm1 7.959 ppm2 2.326 CV 1 ASSI { 804} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.900 2.900 3.100 peak 804 spectrum 1 weight 0.11000E+01 volume 0.16711E-02 ppm1 7.959 ppm2 2.105 CV 1 ASSI { 805} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HB3 )) 3.800 1.800 1.800 peak 805 spectrum 1 weight 0.11000E+01 volume 0.32574E-03 ppm1 7.959 ppm2 1.951 CV 1 ASSI { 807} (( segid " " and resid 22 and name HN )) ( segid " " and resid 12 and name HD1%) 3.600 1.600 1.600 peak 807 spectrum 1 weight 0.11000E+01 volume 0.45375E-03 ppm1 9.192 ppm2 0.893 CV 1 ASSI { 808} (( segid " " and resid 22 and name HN )) ( segid " " and resid 12 and name HD2%) 3.400 1.400 1.400 peak 808 spectrum 1 weight 0.11000E+01 volume 0.67441E-03 ppm1 9.192 ppm2 0.791 CV 1 ASSI { 811} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG3 )) 3.200 3.200 2.800 peak 811 spectrum 1 weight 0.11000E+01 volume 0.93710E-03 ppm1 7.873 ppm2 1.247 CV 1 ASSI { 813} (( segid " " and resid 20 and name HN )) (( segid " " and resid 14 and name HN )) 3.500 1.500 1.500 peak 813 spectrum 1 weight 0.11000E+01 volume 0.57092E-03 ppm1 7.959 ppm2 8.740 CV 1 ASSI { 814} (( segid " " and resid 75 and name HN )) (( segid " " and resid 11 and name HB3 )) 3.900 3.900 2.100 peak 814 spectrum 1 weight 0.11000E+01 volume 0.27998E-03 ppm1 8.284 ppm2 2.514 CV 1 ASSI { 817} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 74 and name HD21)) 2.300 0.700 0.700 peak 817 spectrum 1 weight 0.11000E+01 volume 0.62888E-02 ppm1 7.131 ppm2 7.546 CV 1 ASSI { 822} (( segid " " and resid 55 and name HD22)) (( segid " " and resid 55 and name HB2 )) 2.600 0.900 0.900 peak 822 spectrum 1 weight 0.11000E+01 volume 0.32607E-02 ppm1 6.941 ppm2 3.078 CV 1 ASSI { 823} (( segid " " and resid 55 and name HD21)) (( segid " " and resid 55 and name HB2 )) 2.400 0.700 0.700 peak 823 spectrum 1 weight 0.11000E+01 volume 0.52719E-02 ppm1 7.685 ppm2 3.078 CV 1 ASSI { 830} (( segid " " and resid 34 and name HE21)) (( segid " " and resid 34 and name HE22)) 2.200 2.200 3.800 peak 830 spectrum 1 weight 0.11000E+01 volume 0.82977E-02 ppm1 7.585 ppm2 6.942 CV 1 ASSI { 831} (( segid " " and resid 34 and name HE21)) (( segid " " and resid 34 and name HG2 )) 2.900 2.900 3.100 peak 831 spectrum 1 weight 0.11000E+01 volume 0.18485E-02 ppm1 7.585 ppm2 2.519 CV 1 ASSI { 832} (( segid " " and resid 34 and name HE21)) (( segid " " and resid 34 and name HB3 )) 4.000 4.000 2.000 peak 832 spectrum 1 weight 0.11000E+01 volume 0.26506E-03 ppm1 7.585 ppm2 2.069 CV 1 ASSI { 834} (( segid " " and resid 25 and name HE22)) (( segid " " and resid 25 and name HE21)) 1.800 0.400 0.400 peak 834 spectrum 1 weight 0.11000E+01 volume 0.29003E-01 ppm1 6.507 ppm2 7.256 CV 1 ASSI { 835} (( segid " " and resid 25 and name HE21)) (( segid " " and resid 25 and name HB3 )) 3.500 3.500 2.500 peak 835 spectrum 1 weight 0.11000E+01 volume 0.55194E-03 ppm1 7.234 ppm2 1.739 CV 1 ASSI { 836} (( segid " " and resid 25 and name HE22)) (( segid " " and resid 25 and name HB3 )) 3.600 1.600 1.600 peak 836 spectrum 1 weight 0.11000E+01 volume 0.46980E-03 ppm1 6.507 ppm2 1.709 CV 1 ASSI { 837} (( segid " " and resid 55 and name HD21)) (( segid " " and resid 55 and name HD22)) 2.000 0.500 0.500 peak 837 spectrum 1 weight 0.11000E+01 volume 0.17603E-01 ppm1 7.685 ppm2 6.942 CV 1 ASSI { 841} (( segid " " and resid 40 and name HN )) (( segid " " and resid 50 and name HE21)) 3.300 1.300 1.300 peak 841 spectrum 1 weight 0.11000E+01 volume 0.86909E-03 ppm1 8.470 ppm2 6.941 CV 1 ASSI { 842} (( segid " " and resid 40 and name HN )) (( segid " " and resid 50 and name HE22)) 2.900 1.100 1.100 peak 842 spectrum 1 weight 0.11000E+01 volume 0.16326E-02 ppm1 8.470 ppm2 6.748 CV 1 ASSI { 847} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 39 and name HB )) 3.000 1.200 1.200 peak 847 spectrum 1 weight 0.11000E+01 volume 0.12813E-02 ppm1 6.764 ppm2 2.232 CV 1 ASSI { 848} (( segid " " and resid 50 and name HE22)) ( segid " " and resid 39 and name HG2%) 3.000 1.100 1.100 peak 848 spectrum 1 weight 0.11000E+01 volume 0.13614E-02 ppm1 6.764 ppm2 0.717 CV 1 ASSI { 849} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HD21)) 3.200 1.300 1.300 peak 849 spectrum 1 weight 0.11000E+01 volume 0.90886E-03 ppm1 8.284 ppm2 7.541 CV 1 ASSI { 851} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 75 and name HN )) 3.800 1.800 1.800 peak 851 spectrum 1 weight 0.11000E+01 volume 0.32811E-03 ppm1 7.131 ppm2 8.292 CV 1 ASSI { 853} (( segid " " and resid 74 and name HD21)) (( segid " " and resid 74 and name HA )) 3.100 3.100 2.900 peak 853 spectrum 1 weight 0.11000E+01 volume 0.12021E-02 ppm1 7.536 ppm2 4.655 CV 1 ASSI { 854} (( segid " " and resid 74 and name HD21)) (( segid " " and resid 75 and name HB2 )) 3.500 1.600 1.600 peak 854 spectrum 1 weight 0.11000E+01 volume 0.52821E-03 ppm1 7.536 ppm2 1.695 CV 1 ASSI { 855} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 74 and name HA )) 3.000 1.100 1.100 peak 855 spectrum 1 weight 0.11000E+01 volume 0.13525E-02 ppm1 7.131 ppm2 4.655 CV 1 ASSI { 856} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 75 and name HB2 )) 2.800 2.800 3.200 peak 856 spectrum 1 weight 0.11000E+01 volume 0.19591E-02 ppm1 7.131 ppm2 1.695 CV 1 ASSI { 857} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 75 and name HB3 )) 4.000 4.000 2.000 peak 857 spectrum 1 weight 0.11000E+01 volume 0.24349E-03 ppm1 7.131 ppm2 0.885 CV 1 ASSI { 858} (( segid " " and resid 55 and name HD21)) (( segid " " and resid 55 and name HA )) 3.800 1.800 1.800 peak 858 spectrum 1 weight 0.11000E+01 volume 0.35534E-03 ppm1 7.685 ppm2 4.452 CV 1 ASSI { 859} (( segid " " and resid 25 and name HE21)) (( segid " " and resid 25 and name HG2 )) 3.000 3.000 3.000 peak 859 spectrum 1 weight 0.11000E+01 volume 0.14326E-02 ppm1 7.234 ppm2 2.122 CV 1 ASSI { 860} (( segid " " and resid 25 and name HE21)) (( segid " " and resid 26 and name HB )) 3.800 1.800 1.800 peak 860 spectrum 1 weight 0.11000E+01 volume 0.34709E-03 ppm1 7.234 ppm2 1.934 CV 1 ASSI { 861} (( segid " " and resid 25 and name HE21)) ( segid " " and resid 26 and name HG2%) 3.100 1.200 1.200 peak 861 spectrum 1 weight 0.11000E+01 volume 0.10654E-02 ppm1 7.234 ppm2 0.774 CV 1 ASSI { 862} (( segid " " and resid 25 and name HE22)) ( segid " " and resid 26 and name HG2%) 3.500 1.500 1.500 peak 862 spectrum 1 weight 0.11000E+01 volume 0.56098E-03 ppm1 6.507 ppm2 0.757 CV 1 ASSI { 863} (( segid " " and resid 25 and name HE22)) (( segid " " and resid 26 and name HB )) 3.900 3.900 2.100 peak 863 spectrum 1 weight 0.11000E+01 volume 0.27365E-03 ppm1 6.507 ppm2 1.951 CV 1 ASSI { 864} (( segid " " and resid 25 and name HE22)) (( segid " " and resid 25 and name HG2 )) 3.500 3.500 2.500 peak 864 spectrum 1 weight 0.11000E+01 volume 0.52369E-03 ppm1 6.507 ppm2 2.139 CV 1 ASSI { 865} (( segid " " and resid 28 and name HN )) ( segid " " and resid 8 and name HD2%) 3.800 3.800 2.200 peak 865 spectrum 1 weight 0.11000E+01 volume 0.31760E-03 ppm1 9.261 ppm2 0.843 CV 1 ASSI { 866} (( segid " " and resid 28 and name HN )) ( segid " " and resid 8 and name HD1%) 3.300 1.300 1.300 peak 866 spectrum 1 weight 0.11000E+01 volume 0.86129E-03 ppm1 9.261 ppm2 0.687 CV 1 ASSI { 867} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 4.000 2.000 2.000 peak 867 spectrum 1 weight 0.11000E+01 volume 0.25218E-03 ppm1 9.192 ppm2 8.911 CV 1 ASSI { 869} (( segid " " and resid 31 and name HN )) (( segid " " and resid 34 and name HG2 )) 2.700 0.900 0.900 peak 869 spectrum 1 weight 0.11000E+01 volume 0.27851E-02 ppm1 9.261 ppm2 2.531 CV 1 ASSI { 870} (( segid " " and resid 31 and name HN )) (( segid " " and resid 34 and name HB3 )) 3.200 3.200 2.800 peak 870 spectrum 1 weight 0.11000E+01 volume 0.10243E-02 ppm1 9.261 ppm2 2.053 CV 1 ASSI { 871} (( segid " " and resid 34 and name HN )) ( segid " " and resid 35 and name HG1%) 3.600 1.600 1.600 peak 871 spectrum 1 weight 0.11000E+01 volume 0.45635E-03 ppm1 8.179 ppm2 1.115 CV 1 ASSI { 872} (( segid " " and resid 34 and name HN )) ( segid " " and resid 35 and name HG2%) 3.700 3.700 2.300 peak 872 spectrum 1 weight 0.11000E+01 volume 0.40946E-03 ppm1 8.179 ppm2 0.740 CV 1 ASSI { 874} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HN )) 2.900 1.000 1.000 peak 874 spectrum 1 weight 0.11000E+01 volume 0.18609E-02 ppm1 8.528 ppm2 8.195 CV 1 ASSI { 875} (( segid " " and resid 34 and name HN )) (( segid " " and resid 36 and name HN )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.11000E+01 volume 0.34212E-03 ppm1 8.179 ppm2 9.030 CV 1 ASSI { 877} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HN )) 2.600 0.900 0.900 peak 877 spectrum 1 weight 0.11000E+01 volume 0.30133E-02 ppm1 7.966 ppm2 8.195 CV 1 ASSI { 879} (( segid " " and resid 32 and name HN )) (( segid " " and resid 34 and name HN )) 3.800 1.800 1.800 peak 879 spectrum 1 weight 0.11000E+01 volume 0.32766E-03 ppm1 8.597 ppm2 8.177 CV 1 ASSI { 880} (( segid " " and resid 39 and name HN )) (( segid " " and resid 50 and name HE22)) 3.700 1.700 1.700 peak 880 spectrum 1 weight 0.11000E+01 volume 0.39918E-03 ppm1 8.642 ppm2 6.779 CV 1 ASSI { 881} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HN )) 4.100 2.100 1.900 peak 881 spectrum 1 weight 0.11000E+01 volume 0.21784E-03 ppm1 7.223 ppm2 8.485 CV 1 ASSI { 883} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HN )) 3.400 3.400 2.600 peak 883 spectrum 1 weight 0.11000E+01 volume 0.68266E-03 ppm1 7.795 ppm2 7.666 CV 1 ASSI { 885} (( segid " " and resid 46 and name HN )) (( segid " " and resid 49 and name HN )) 3.700 1.700 1.700 peak 885 spectrum 1 weight 0.11000E+01 volume 0.37703E-03 ppm1 8.163 ppm2 7.905 CV 1 ASSI { 887} (( segid " " and resid 50 and name HE21)) ( segid " " and resid 39 and name HG2%) 3.200 1.200 1.200 peak 887 spectrum 1 weight 0.11000E+01 volume 0.10321E-02 ppm1 6.937 ppm2 0.706 CV 1 ASSI { 888} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 39 and name HB )) 3.400 1.500 1.500 peak 888 spectrum 1 weight 0.11000E+01 volume 0.64266E-03 ppm1 6.937 ppm2 2.241 CV 1 ASSI { 890} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HE22)) 2.400 0.700 0.700 peak 890 spectrum 1 weight 0.11000E+01 volume 0.48222E-02 ppm1 6.937 ppm2 6.779 CV 1 ASSI { 892} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HG2 )) 3.100 1.200 1.200 peak 892 spectrum 1 weight 0.11000E+01 volume 0.12349E-02 ppm1 6.937 ppm2 2.531 CV 1 ASSI { 893} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HG2 )) 3.400 1.500 1.500 peak 893 spectrum 1 weight 0.11000E+01 volume 0.64357E-03 ppm1 6.764 ppm2 2.531 CV 1 ASSI { 894} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HG3 )) 3.200 1.300 1.300 peak 894 spectrum 1 weight 0.11000E+01 volume 0.10282E-02 ppm1 6.937 ppm2 1.712 CV 1 ASSI { 895} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HG3 )) 3.800 1.800 1.800 peak 895 spectrum 1 weight 0.11000E+01 volume 0.34935E-03 ppm1 6.764 ppm2 1.712 CV 1 ASSI { 896} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 45 and name HB )) 3.300 1.300 1.300 peak 896 spectrum 1 weight 0.11000E+01 volume 0.81767E-03 ppm1 6.937 ppm2 1.576 CV 1 ASSI { 897} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 45 and name HB )) 3.200 1.300 1.300 peak 897 spectrum 1 weight 0.11000E+01 volume 0.89981E-03 ppm1 6.764 ppm2 1.559 CV 1 ASSI { 899} (( segid " " and resid 50 and name HE22)) ( segid " " and resid 78 and name HD1%) 3.500 1.500 1.500 peak 899 spectrum 1 weight 0.11000E+01 volume 0.55194E-03 ppm1 6.764 ppm2 0.876 CV 1 ASSI { 900} (( segid " " and resid 50 and name HN )) ( segid " " and resid 45 and name HG2%) 2.800 1.000 1.000 peak 900 spectrum 1 weight 0.11000E+01 volume 0.20281E-02 ppm1 7.284 ppm2 0.859 CV 1 ASSI { 901} (( segid " " and resid 42 and name HN )) ( segid " " and resid 43 and name HG2%) 3.200 1.300 1.300 peak 901 spectrum 1 weight 0.11000E+01 volume 0.94602E-03 ppm1 7.223 ppm2 0.859 CV 1 ASSI { 902} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA )) 3.300 1.400 1.400 peak 902 spectrum 1 weight 0.11000E+01 volume 0.78242E-03 ppm1 7.902 ppm2 3.998 CV 1 ASSI { 903} (( segid " " and resid 43 and name HN )) ( segid " " and resid 39 and name HG2%) 3.200 1.300 1.300 peak 903 spectrum 1 weight 0.11000E+01 volume 0.98839E-03 ppm1 7.795 ppm2 0.723 CV 1 ASSI { 904} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HE% ) 3.100 1.200 1.200 peak 904 spectrum 1 weight 0.11000E+01 volume 0.10872E-02 ppm1 7.761 ppm2 2.241 CV 1 ASSI { 907} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 3.700 1.700 1.700 peak 907 spectrum 1 weight 0.11000E+01 volume 0.41850E-03 ppm1 8.521 ppm2 9.082 CV 1 ASSI { 908} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HN )) 3.300 1.300 1.300 peak 908 spectrum 1 weight 0.11000E+01 volume 0.85112E-03 ppm1 8.264 ppm2 8.536 CV 1 ASSI { 909} (( segid " " and resid 8 and name HN )) (( segid " " and resid 26 and name HA )) 3.700 1.700 1.700 peak 909 spectrum 1 weight 0.11000E+01 volume 0.43194E-03 ppm1 9.087 ppm2 4.322 CV 1 ASSI { 910} (( segid " " and resid 8 and name HN )) (( segid " " and resid 27 and name HG2 )) 3.300 1.400 1.400 peak 910 spectrum 1 weight 0.11000E+01 volume 0.76254E-03 ppm1 9.087 ppm2 1.456 CV 1 ASSI { 911} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB2 )) 4.700 2.700 1.300 peak 911 spectrum 1 weight 0.11000E+01 volume 0.10067E-03 ppm1 8.202 ppm2 2.992 CV 1 ASSI { 912} (( segid " " and resid 80 and name HN )) ( segid " " and resid 51 and name HD1%) 4.100 2.100 1.900 peak 912 spectrum 1 weight 0.11000E+01 volume 0.21139E-03 ppm1 8.353 ppm2 0.701 CV 1 ASSI { 913} (( segid " " and resid 80 and name HN )) (( segid " " and resid 51 and name HG12)) 3.900 1.900 1.900 peak 913 spectrum 1 weight 0.11000E+01 volume 0.28088E-03 ppm1 8.353 ppm2 0.884 CV 1 ASSI { 915} (( segid " " and resid 55 and name HD21)) (( segid " " and resid 74 and name HD21)) 3.700 1.700 1.700 peak 915 spectrum 1 weight 0.11000E+01 volume 0.38618E-03 ppm1 7.685 ppm2 7.546 CV 1 ASSI { 917} (( segid " " and resid 55 and name HD22)) (( segid " " and resid 74 and name HD22)) 3.500 1.500 1.500 peak 917 spectrum 1 weight 0.11000E+01 volume 0.55069E-03 ppm1 6.941 ppm2 7.120 CV 1 ASSI { 918} (( segid " " and resid 55 and name HD22)) (( segid " " and resid 74 and name HD21)) 3.600 3.600 2.400 peak 918 spectrum 1 weight 0.11000E+01 volume 0.43770E-03 ppm1 6.941 ppm2 7.529 CV 1 ASSI { 919} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 55 and name HD21)) 3.500 3.500 2.500 peak 919 spectrum 1 weight 0.11000E+01 volume 0.53973E-03 ppm1 7.131 ppm2 7.734 CV 1 ASSI { 920} (( segid " " and resid 55 and name HD22)) ( segid " " and resid 70 and name HG2%) 3.100 1.200 1.200 peak 920 spectrum 1 weight 0.11000E+01 volume 0.12237E-02 ppm1 6.941 ppm2 0.910 CV 1 ASSI { 921} (( segid " " and resid 55 and name HD22)) ( segid " " and resid 54 and name HD2%) 3.300 1.400 1.400 peak 921 spectrum 1 weight 0.11000E+01 volume 0.77519E-03 ppm1 6.941 ppm2 0.723 CV 1 ASSI { 922} (( segid " " and resid 55 and name HD21)) ( segid " " and resid 70 and name HG2%) 3.300 1.400 1.400 peak 922 spectrum 1 weight 0.11000E+01 volume 0.74344E-03 ppm1 7.685 ppm2 0.910 CV 1 ASSI { 923} (( segid " " and resid 55 and name HD21)) ( segid " " and resid 54 and name HD2%) 3.400 1.400 1.400 peak 923 spectrum 1 weight 0.11000E+01 volume 0.67803E-03 ppm1 7.685 ppm2 0.723 CV 1 ASSI { 925} (( segid " " and resid 12 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.000 1.200 1.200 peak 925 spectrum 1 weight 0.11000E+01 volume 0.12892E-02 ppm1 9.308 ppm2 2.906 CV 1 ASSI { 929} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD2%) 2.800 2.800 3.200 peak 929 spectrum 1 weight 0.11000E+01 volume 0.22868E-02 ppm1 8.239 ppm2 0.777 CV 1 ASSI { 931} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HE% ) 3.400 1.500 1.500 peak 931 spectrum 1 weight 0.11000E+01 volume 0.61543E-03 ppm1 9.186 ppm2 2.115 CV 1 ASSI { 932} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HE% ) 3.000 3.000 3.000 peak 932 spectrum 1 weight 0.11000E+01 volume 0.15614E-02 ppm1 8.795 ppm2 1.820 CV 1 ASSI { 933} (( segid " " and resid 65 and name HN )) ( segid " " and resid 66 and name HB% ) 3.600 1.600 1.600 peak 933 spectrum 1 weight 0.11000E+01 volume 0.46403E-03 ppm1 8.795 ppm2 1.473 CV 1 ASSI { 934} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HB3 )) 3.100 1.200 1.200 peak 934 spectrum 1 weight 0.11000E+01 volume 0.11434E-02 ppm1 8.877 ppm2 2.036 CV 1 ASSI { 936} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HG3 )) 3.900 1.900 1.900 peak 936 spectrum 1 weight 0.11000E+01 volume 0.27309E-03 ppm1 8.877 ppm2 2.604 CV 1 ASSI { 937} (( segid " " and resid 67 and name HN )) (( segid " " and resid 64 and name HG3 )) 3.300 3.300 2.700 peak 937 spectrum 1 weight 0.11000E+01 volume 0.74073E-03 ppm1 7.803 ppm2 2.619 CV 1 ASSI { 938} (( segid " " and resid 67 and name HN )) (( segid " " and resid 64 and name HB3 )) 3.000 1.100 1.100 peak 938 spectrum 1 weight 0.11000E+01 volume 0.15016E-02 ppm1 7.803 ppm2 2.020 CV 1 ASSI { 939} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HA )) 3.100 1.200 1.200 peak 939 spectrum 1 weight 0.11000E+01 volume 0.11167E-02 ppm1 7.803 ppm2 4.766 CV 1 ASSI { 940} (( segid " " and resid 68 and name HN )) (( segid " " and resid 65 and name HA )) 3.000 1.100 1.100 peak 940 spectrum 1 weight 0.11000E+01 volume 0.14326E-02 ppm1 7.734 ppm2 4.783 CV 1 ASSI { 942} (( segid " " and resid 69 and name HN )) (( segid " " and resid 65 and name HA )) 2.400 2.400 3.600 peak 942 spectrum 1 weight 0.11000E+01 volume 0.49815E-02 ppm1 7.778 ppm2 4.800 CV 1 ASSI { 943} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB3 )) 3.800 1.800 1.800 peak 943 spectrum 1 weight 0.11000E+01 volume 0.36302E-03 ppm1 7.778 ppm2 2.719 CV 1 ASSI { 944} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB3 )) 3.300 1.400 1.400 peak 944 spectrum 1 weight 0.11000E+01 volume 0.76977E-03 ppm1 7.734 ppm2 2.395 CV 1 ASSI { 945} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 3.900 1.900 1.900 peak 945 spectrum 1 weight 0.11000E+01 volume 0.30224E-03 ppm1 8.795 ppm2 9.184 CV 1 ASSI { 947} (( segid " " and resid 65 and name HN )) (( segid " " and resid 32 and name HN )) 3.200 1.300 1.300 peak 947 spectrum 1 weight 0.11000E+01 volume 0.98331E-03 ppm1 8.795 ppm2 8.604 CV 1 ASSI { 951} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HN )) 3.400 3.400 2.600 peak 951 spectrum 1 weight 0.11000E+01 volume 0.63814E-03 ppm1 7.989 ppm2 8.212 CV 1 ASSI { 952} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HN )) 3.700 1.800 1.800 peak 952 spectrum 1 weight 0.11000E+01 volume 0.37071E-03 ppm1 7.959 ppm2 8.212 CV 1 ASSI { 953} (( segid " " and resid 28 and name HN )) (( segid " " and resid 7 and name HA )) 3.400 1.500 1.500 peak 953 spectrum 1 weight 0.11000E+01 volume 0.62357E-03 ppm1 9.261 ppm2 4.169 CV 1 ASSI { 954} (( segid " " and resid 27 and name HN )) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 954 spectrum 1 weight 0.11000E+01 volume 0.13999E-02 ppm1 8.542 ppm2 4.152 CV 1 ASSI { 956} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HG2 )) 3.000 1.200 1.200 peak 956 spectrum 1 weight 0.11000E+01 volume 0.13016E-02 ppm1 7.989 ppm2 1.681 CV 1 ASSI { 957} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HE1 )) 3.900 3.900 2.100 peak 957 spectrum 1 weight 0.11000E+01 volume 0.28450E-03 ppm1 7.873 ppm2 7.678 CV 1 ASSI { 958} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HE1 )) 4.000 4.000 2.000 peak 958 spectrum 1 weight 0.11000E+01 volume 0.24349E-03 ppm1 7.959 ppm2 7.726 CV 1 ASSI { 959} (( segid " " and resid 23 and name HN )) (( segid " " and resid 12 and name HB2 )) 3.800 1.800 1.800 peak 959 spectrum 1 weight 0.11000E+01 volume 0.34076E-03 ppm1 8.894 ppm2 1.985 CV 1 ASSI { 960} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 3.500 1.500 1.500 peak 960 spectrum 1 weight 0.11000E+01 volume 0.57453E-03 ppm1 9.084 ppm2 8.907 CV 1 ASSI { 962} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HG )) 3.000 1.100 1.100 peak 962 spectrum 1 weight 0.11000E+01 volume 0.14281E-02 ppm1 9.084 ppm2 1.213 CV 1 ASSI { 964} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HD1%) 2.800 1.000 1.000 peak 964 spectrum 1 weight 0.11000E+01 volume 0.21591E-02 ppm1 8.210 ppm2 0.725 CV 1 ASSI { 965} (( segid " " and resid 79 and name HN )) (( segid " " and resid 51 and name HB )) 3.100 1.200 1.200 peak 965 spectrum 1 weight 0.11000E+01 volume 0.12089E-02 ppm1 8.987 ppm2 1.749 CV 1 ASSI { 966} (( segid " " and resid 71 and name HN )) (( segid " " and resid 55 and name HD22)) 4.000 2.000 2.000 peak 966 spectrum 1 weight 0.11000E+01 volume 0.27048E-03 ppm1 7.977 ppm2 6.946 CV 1 ASSI { 968} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HD21)) 3.900 3.900 2.100 peak 968 spectrum 1 weight 0.11000E+01 volume 0.27760E-03 ppm1 7.977 ppm2 7.513 CV 1 ASSI { 969} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 71 and name HN )) 4.000 2.000 2.000 peak 969 spectrum 1 weight 0.11000E+01 volume 0.26247E-03 ppm1 7.131 ppm2 7.962 CV 1 ASSI { 970} (( segid " " and resid 55 and name HD21)) (( segid " " and resid 71 and name HN )) 3.800 3.800 2.200 peak 970 spectrum 1 weight 0.11000E+01 volume 0.33037E-03 ppm1 7.685 ppm2 7.938 CV 1 ASSI { 972} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HN )) 3.600 3.600 2.400 peak 972 spectrum 1 weight 0.11000E+01 volume 0.47624E-03 ppm1 7.966 ppm2 8.576 CV 1 ASSI { 973} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 71 and name HD2 )) 3.800 3.800 2.200 peak 973 spectrum 1 weight 0.11000E+01 volume 0.33398E-03 ppm1 7.131 ppm2 3.261 CV 1 ASSI { 974} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 71 and name HB2 )) 3.700 1.700 1.700 peak 974 spectrum 1 weight 0.11000E+01 volume 0.39986E-03 ppm1 7.131 ppm2 1.962 CV 1 ASSI { 975} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HG13)) 3.700 1.700 1.700 peak 975 spectrum 1 weight 0.11000E+01 volume 0.40042E-03 ppm1 8.524 ppm2 0.993 CV 1 ASSI { 978} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 36 and name HB2 )) 3.300 1.300 1.300 peak 978 spectrum 1 weight 0.11000E+01 volume 0.83564E-03 ppm1 6.937 ppm2 1.873 CV 1 ASSI { 979} (( segid " " and resid 52 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.200 1.300 1.300 peak 979 spectrum 1 weight 0.11000E+01 volume 0.10180E-02 ppm1 8.892 ppm2 1.430 CV 1 ASSI { 980} (( segid " " and resid 52 and name HN )) (( segid " " and resid 59 and name HB3 )) 3.800 1.800 1.800 peak 980 spectrum 1 weight 0.11000E+01 volume 0.35432E-03 ppm1 8.892 ppm2 1.237 CV 1 ASSI { 981} (( segid " " and resid 59 and name HN )) ( segid " " and resid 52 and name HG2%) 3.000 1.100 1.100 peak 981 spectrum 1 weight 0.11000E+01 volume 0.14372E-02 ppm1 8.685 ppm2 0.719 CV 1 ASSI { 982} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA2 )) 3.200 1.300 1.300 peak 982 spectrum 1 weight 0.11000E+01 volume 0.99100E-03 ppm1 7.481 ppm2 3.790 CV 1 ASSI { 985} (( segid " " and resid 63 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.600 1.600 1.600 peak 985 spectrum 1 weight 0.11000E+01 volume 0.50120E-03 ppm1 7.481 ppm2 4.599 CV 1 ASSI { 987} (( segid " " and resid 63 and name HN )) (( segid " " and resid 60 and name HB3 )) 3.600 1.600 1.600 peak 987 spectrum 1 weight 0.11000E+01 volume 0.47296E-03 ppm1 7.481 ppm2 1.881 CV 1 ASSI { 988} (( segid " " and resid 60 and name HN )) (( segid " " and resid 63 and name HG2 )) 3.200 1.300 1.300 peak 988 spectrum 1 weight 0.11000E+01 volume 0.88061E-03 ppm1 8.047 ppm2 1.687 CV 1 ASSI { 989} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HN )) 4.000 2.000 2.000 peak 989 spectrum 1 weight 0.11000E+01 volume 0.25252E-03 ppm1 8.047 ppm2 8.505 CV 1 ASSI { 992} (( segid " " and resid 66 and name HN )) ( segid " " and resid 70 and name HG2%) 3.800 1.800 1.800 peak 992 spectrum 1 weight 0.11000E+01 volume 0.32347E-03 ppm1 8.877 ppm2 0.899 CV 1 ASSI { 993} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HA )) 3.700 1.700 1.700 peak 993 spectrum 1 weight 0.11000E+01 volume 0.41454E-03 ppm1 8.877 ppm2 5.260 CV 1 ASSI { 997} (( segid " " and resid 66 and name HN )) ( segid " " and resid 70 and name HD1%) 3.700 1.700 1.700 peak 997 spectrum 1 weight 0.11000E+01 volume 0.37613E-03 ppm1 8.877 ppm2 0.725 CV 1 ASSI { 998} (( segid " " and resid 65 and name HN )) (( segid " " and resid 28 and name HA )) 3.700 3.700 2.300 peak 998 spectrum 1 weight 0.11000E+01 volume 0.38754E-03 ppm1 8.795 ppm2 3.846 CV 1 ASSI { 1000} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 4.000 2.000 2.000 peak 1000 spectrum 1 weight 0.11000E+01 volume 0.24190E-03 ppm1 6.700 ppm2 4.406 CV 1 ASSI { 1002} (( segid " " and resid 55 and name HD21)) (( segid " " and resid 54 and name HG )) 3.300 3.300 2.700 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.83439E-03 ppm1 7.685 ppm2 1.551 CV 1 ASSI { 1003} (( segid " " and resid 73 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.300 3.300 2.700 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.79587E-03 ppm1 9.210 ppm2 1.462 CV 1 ASSI { 1004} (( segid " " and resid 73 and name HN )) (( segid " " and resid 8 and name HB3 )) 3.700 1.800 1.800 peak 1004 spectrum 1 weight 0.11000E+01 volume 0.37387E-03 ppm1 9.210 ppm2 0.989 CV 1 ASSI { 1006} (( segid " " and resid 74 and name HN )) (( segid " " and resid 70 and name HG13)) 3.600 1.600 1.600 peak 1006 spectrum 1 weight 0.11000E+01 volume 0.47815E-03 ppm1 7.721 ppm2 0.983 CV 1 ASSI { 1007} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HD21)) 3.300 1.300 1.300 peak 1007 spectrum 1 weight 0.11000E+01 volume 0.82672E-03 ppm1 7.721 ppm2 7.543 CV 1 ASSI { 1008} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HD22)) 3.500 3.500 2.500 peak 1008 spectrum 1 weight 0.11000E+01 volume 0.56369E-03 ppm1 7.721 ppm2 7.142 CV 1 ASSI { 1009} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HN )) 3.900 1.900 1.900 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.29489E-03 ppm1 7.721 ppm2 8.530 CV 1 ASSI { 1011} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 74 and name HB2 )) 3.900 3.900 2.100 peak 1011 spectrum 1 weight 0.11000E+01 volume 0.28315E-03 ppm1 7.131 ppm2 2.854 CV 1 ASSI { 1012} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 74 and name HB3 )) 4.000 2.000 2.000 peak 1012 spectrum 1 weight 0.11000E+01 volume 0.26179E-03 ppm1 7.131 ppm2 2.718 CV 1 ASSI { 1016} (( segid " " and resid 81 and name HN )) ( segid " " and resid 79 and name HB% ) 3.800 1.800 1.800 peak 1016 spectrum 1 weight 0.11000E+01 volume 0.35940E-03 ppm1 8.434 ppm2 1.419 CV 1 ASSI { 1018} (( segid " " and resid 79 and name HN )) (( segid " " and resid 52 and name HA )) 3.200 1.300 1.300 peak 1018 spectrum 1 weight 0.11000E+01 volume 0.95246E-03 ppm1 8.987 ppm2 5.293 CV 1 ASSI { 1019} (( segid " " and resid 55 and name HN )) ( segid " " and resid 70 and name HG2%) 3.300 1.400 1.400 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.79327E-03 ppm1 10.237 ppm2 0.888 CV 1 ASSI { 1020} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HD2%) 4.100 2.100 1.900 peak 1020 spectrum 1 weight 0.11000E+01 volume 0.21625E-03 ppm1 10.237 ppm2 0.710 CV 1 ASSI { 1021} (( segid " " and resid 53 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.900 3.900 2.100 peak 1021 spectrum 1 weight 0.11000E+01 volume 0.28359E-03 ppm1 9.105 ppm2 1.438 CV 1 ASSI { 1022} (( segid " " and resid 53 and name HN )) (( segid " " and resid 59 and name HB3 )) 3.800 3.800 2.200 peak 1022 spectrum 1 weight 0.11000E+01 volume 0.34122E-03 ppm1 9.104 ppm2 1.193 CV 1 ASSI { 1023} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HA )) 3.600 3.600 2.400 peak 1023 spectrum 1 weight 0.11000E+01 volume 0.47296E-03 ppm1 9.104 ppm2 4.961 CV 1 ASSI { 1024} (( segid " " and resid 54 and name HN )) (( segid " " and resid 58 and name HA )) 3.100 1.200 1.200 peak 1024 spectrum 1 weight 0.11000E+01 volume 0.11604E-02 ppm1 8.839 ppm2 4.607 CV 1 ASSI { 1028} (( segid " " and resid 51 and name HN )) (( segid " " and resid 78 and name HA )) 3.200 3.200 2.800 peak 1028 spectrum 1 weight 0.11000E+01 volume 0.91778E-03 ppm1 8.635 ppm2 5.074 CV 1 ASSI { 1029} (( segid " " and resid 51 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.600 1.700 1.700 peak 1029 spectrum 1 weight 0.11000E+01 volume 0.44347E-03 ppm1 8.635 ppm2 3.802 CV 1 ASSI { 1032} (( segid " " and resid 52 and name HN )) ( segid " " and resid 59 and name HD1%) 3.800 1.800 1.800 peak 1032 spectrum 1 weight 0.11000E+01 volume 0.34709E-03 ppm1 8.892 ppm2 0.496 CV 1 ASSI { 1033} (( segid " " and resid 52 and name HN )) (( segid " " and resid 58 and name HD2 )) 4.100 2.100 1.900 peak 1033 spectrum 1 weight 0.11000E+01 volume 0.22552E-03 ppm1 8.892 ppm2 3.176 CV 1 ASSI { 1034} (( segid " " and resid 53 and name HN )) ( segid " " and resid 59 and name HD1%) 4.200 2.200 1.800 peak 1034 spectrum 1 weight 0.11000E+01 volume 0.19152E-03 ppm1 9.104 ppm2 0.468 CV 1 ASSI { 1040} (( segid " " and resid 51 and name HN )) (( segid " " and resid 79 and name HA )) 3.600 3.600 2.400 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.45759E-03 ppm1 8.635 ppm2 4.567 CV 1 ASSI { 1041} (( segid " " and resid 78 and name HN )) (( segid " " and resid 13 and name HB )) 3.100 1.200 1.200 peak 1041 spectrum 1 weight 0.11000E+01 volume 0.11237E-02 ppm1 8.602 ppm2 1.690 CV 1 ASSI { 1045} (( segid " " and resid 55 and name HD22)) (( segid " " and resid 70 and name HA )) 3.300 1.400 1.400 peak 1045 spectrum 1 weight 0.11000E+01 volume 0.78152E-03 ppm1 6.941 ppm2 4.172 CV 1 ASSI { 1046} (( segid " " and resid 55 and name HD22)) (( segid " " and resid 54 and name HG )) 3.300 1.300 1.300 peak 1046 spectrum 1 weight 0.11000E+01 volume 0.83304E-03 ppm1 6.941 ppm2 1.580 CV 1 ASSI { 1048} (( segid " " and resid 38 and name HN )) ( segid " " and resid 41 and name HG2%) 3.500 3.500 2.500 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.55577E-03 ppm1 7.761 ppm2 1.354 CV 1 ASSI { 1049} (( segid " " and resid 38 and name HN )) ( segid " " and resid 35 and name HG1%) 3.800 1.800 1.800 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.33444E-03 ppm1 7.761 ppm2 1.097 CV 1 ASSI { 1052} (( segid " " and resid 38 and name HN )) (( segid " " and resid 34 and name HA )) 3.400 1.500 1.500 peak 1052 spectrum 1 weight 0.11000E+01 volume 0.61363E-03 ppm1 7.761 ppm2 4.060 CV 1 ASSI { 1053} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG13)) 3.700 1.700 1.700 peak 1053 spectrum 1 weight 0.11000E+01 volume 0.41590E-03 ppm1 8.470 ppm2 0.855 CV 1 ASSI { 1054} (( segid " " and resid 40 and name HN )) ( segid " " and resid 41 and name HG2%) 3.700 1.700 1.700 peak 1054 spectrum 1 weight 0.11000E+01 volume 0.41330E-03 ppm1 8.470 ppm2 1.338 CV 1 ASSI { 1056} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG12)) 2.600 2.600 3.400 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.37071E-02 ppm1 8.163 ppm2 1.359 CV 1 ASSI { 1058} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB3 )) 3.400 1.500 1.500 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.64357E-03 ppm1 8.264 ppm2 2.527 CV 1 ASSI { 1059} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) 3.600 1.600 1.600 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.47363E-03 ppm1 8.264 ppm2 2.744 CV 1 ASSI { 1064} (( segid " " and resid 12 and name HN )) (( segid " " and resid 24 and name HN )) 3.300 1.300 1.300 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.82028E-03 ppm1 9.308 ppm2 9.080 CV 1 ASSI { 1069} (( segid " " and resid 30 and name HN )) (( segid " " and resid 65 and name HB2 )) 3.200 1.300 1.300 peak 1069 spectrum 1 weight 0.11000E+01 volume 0.92942E-03 ppm1 7.762 ppm2 2.428 CV 1 ASSI { 1074} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HB2 )) 3.400 3.400 2.600 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.72254E-03 ppm1 8.005 ppm2 2.527 CV 1 ASSI { 1075} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HG2 )) 3.700 1.700 1.700 peak 1075 spectrum 1 weight 0.11000E+01 volume 0.43126E-03 ppm1 8.005 ppm2 2.942 CV 1 ASSI { 1076} (( segid " " and resid 37 and name HN )) ( segid " " and resid 35 and name HG2%) 3.300 1.400 1.400 peak 1076 spectrum 1 weight 0.11000E+01 volume 0.77068E-03 ppm1 8.005 ppm2 0.745 CV 1 ASSI { 1077} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.100 1.200 1.200 peak 1077 spectrum 1 weight 0.11000E+01 volume 0.12248E-02 ppm1 8.005 ppm2 4.388 CV 1 ASSI { 1078} (( segid " " and resid 36 and name HN )) (( segid " " and resid 32 and name HA )) 3.400 1.500 1.500 peak 1078 spectrum 1 weight 0.11000E+01 volume 0.64357E-03 ppm1 9.022 ppm2 3.558 CV 1 ASSI { 1079} (( segid " " and resid 36 and name HN )) (( segid " " and resid 39 and name HG13)) 3.600 3.600 2.400 peak 1079 spectrum 1 weight 0.11000E+01 volume 0.45499E-03 ppm1 9.022 ppm2 0.893 CV 1 ASSI { 1080} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HG13)) 3.600 3.600 2.400 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.49488E-03 ppm1 7.761 ppm2 0.825 CV 1 ASSI { 1081} (( segid " " and resid 39 and name HN )) ( segid " " and resid 37 and name HB% ) 3.400 1.400 1.400 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.68718E-03 ppm1 8.642 ppm2 1.552 CV 1 ASSI { 1084} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HD2 )) 3.500 3.500 2.500 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.55001E-03 ppm1 7.911 ppm2 1.557 CV 1 ASSI { 1089} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HA )) 3.900 1.900 1.900 peak 1089 spectrum 1 weight 0.11000E+01 volume 0.28088E-03 ppm1 7.911 ppm2 3.279 CV 1 ASSI { 1091} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HN )) 3.900 1.900 1.900 peak 1091 spectrum 1 weight 0.11000E+01 volume 0.27919E-03 ppm1 8.642 ppm2 7.931 CV 1 ASSI { 1092} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HN )) 3.800 1.900 1.900 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.31669E-03 ppm1 8.005 ppm2 8.644 CV 1 ASSI { 1102} (( segid " " and resid 44 and name HN )) ( segid " " and resid 39 and name HG2%) 3.900 1.900 1.900 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.30088E-03 ppm1 8.926 ppm2 0.705 CV 1 ASSI { 1103} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HB3 )) 3.400 1.500 1.500 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.64718E-03 ppm1 7.688 ppm2 1.834 CV 1 ASSI { 1104} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HG3 )) 3.600 1.600 1.600 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.45635E-03 ppm1 7.688 ppm2 1.953 CV 1 ASSI { 1105} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HD3 )) 3.900 1.900 1.900 peak 1105 spectrum 1 weight 0.11000E+01 volume 0.28179E-03 ppm1 8.163 ppm2 3.675 CV 1 ASSI { 1109} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA )) 3.600 3.600 2.400 peak 1109 spectrum 1 weight 0.11000E+01 volume 0.44031E-03 ppm1 9.172 ppm2 4.368 CV 1 ASSI { 1112} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.600 1.600 1.600 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.51284E-03 ppm1 7.284 ppm2 2.309 CV 1 ASSI { 1114} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HE21)) 4.200 2.200 1.800 peak 1114 spectrum 1 weight 0.11000E+01 volume 0.19716E-03 ppm1 7.284 ppm2 6.941 CV 1 ASSI { 1115} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 36 and name HA )) 3.800 1.800 1.800 peak 1115 spectrum 1 weight 0.11000E+01 volume 0.36167E-03 ppm1 6.937 ppm2 4.368 CV 1 ASSI { 1116} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 36 and name HA )) 3.500 1.500 1.500 peak 1116 spectrum 1 weight 0.11000E+01 volume 0.54685E-03 ppm1 6.764 ppm2 4.388 CV 1 ASSI { 1117} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 36 and name HB2 )) 3.300 1.400 1.400 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.75339E-03 ppm1 6.764 ppm2 1.873 CV 1 ASSI { 1121} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.700 1.700 1.700 peak 1121 spectrum 1 weight 0.11000E+01 volume 0.40370E-03 ppm1 8.837 ppm2 3.081 CV 1 ASSI { 1127} (( segid " " and resid 59 and name HN )) (( segid " " and resid 53 and name HA )) 2.900 1.000 1.000 peak 1127 spectrum 1 weight 0.11000E+01 volume 0.18891E-02 ppm1 8.685 ppm2 5.142 CV 1 ASSI { 1129} (( segid " " and resid 26 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.700 3.700 2.300 peak 1129 spectrum 1 weight 0.11000E+01 volume 0.37296E-03 ppm1 8.604 ppm2 1.466 CV 1 ASSI { 1130} (( segid " " and resid 26 and name HN )) (( segid " " and resid 9 and name HD3 )) 3.900 1.900 1.900 peak 1130 spectrum 1 weight 0.11000E+01 volume 0.29128E-03 ppm1 8.604 ppm2 3.884 CV 1 ASSI { 1131} (( segid " " and resid 73 and name HN )) (( segid " " and resid 9 and name HA )) 3.100 1.200 1.200 peak 1131 spectrum 1 weight 0.11000E+01 volume 0.12157E-02 ppm1 9.210 ppm2 4.808 CV 1 ASSI { 1132} (( segid " " and resid 65 and name HN )) ( segid " " and resid 70 and name HG2%) 3.800 3.800 2.200 peak 1132 spectrum 1 weight 0.11000E+01 volume 0.32302E-03 ppm1 8.795 ppm2 0.852 CV 1 ASSI { 1133} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 1133 spectrum 1 weight 0.11000E+01 volume 0.20586E-02 ppm1 8.877 ppm2 2.250 CV 1 ASSI { 1135} (( segid " " and resid 30 and name HN )) ( segid " " and resid 65 and name HE% ) 3.200 3.200 2.800 peak 1135 spectrum 1 weight 0.11000E+01 volume 0.93835E-03 ppm1 7.762 ppm2 1.781 CV 1 ASSI { 1136} (( segid " " and resid 27 and name HN )) ( segid " " and resid 65 and name HE% ) 4.100 2.100 1.900 peak 1136 spectrum 1 weight 0.11000E+01 volume 0.22010E-03 ppm1 8.542 ppm2 1.790 CV 1 ASSI { 1139} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 3.900 1.900 1.900 peak 1139 spectrum 1 weight 0.11000E+01 volume 0.27760E-03 ppm1 7.481 ppm2 8.046 CV 1 ASSI { 1141} (( segid " " and resid 35 and name HN )) ( segid " " and resid 33 and name HB% ) 3.100 3.100 2.900 peak 1141 spectrum 1 weight 0.11000E+01 volume 0.12722E-02 ppm1 7.966 ppm2 1.512 CV 1 ASSI { 1143} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HA )) 3.000 1.100 1.100 peak 1143 spectrum 1 weight 0.11000E+01 volume 0.13525E-02 ppm1 7.966 ppm2 3.548 CV 1 ASSI { 1147} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) 3.400 1.400 1.400 peak 1147 spectrum 1 weight 0.11000E+01 volume 0.71893E-03 ppm1 8.470 ppm2 4.396 CV 1 ASSI { 1148} (( segid " " and resid 39 and name HN )) (( segid " " and resid 35 and name HA )) 3.500 1.500 1.500 peak 1148 spectrum 1 weight 0.11000E+01 volume 0.54109E-03 ppm1 8.642 ppm2 3.860 CV 1 ASSI { 1149} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 1149 spectrum 1 weight 0.11000E+01 volume 0.11784E-02 ppm1 7.761 ppm2 4.301 CV 1 ASSI { 1150} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) 3.500 1.600 1.600 peak 1150 spectrum 1 weight 0.11000E+01 volume 0.53272E-03 ppm1 7.761 ppm2 4.391 CV 1 ASSI { 1152} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 3.400 1.400 1.400 peak 1152 spectrum 1 weight 0.11000E+01 volume 0.67803E-03 ppm1 7.795 ppm2 4.279 CV 1 ASSI { 1155} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HB )) 3.700 1.700 1.700 peak 1155 spectrum 1 weight 0.11000E+01 volume 0.41782E-03 ppm1 8.926 ppm2 1.544 CV 1 ASSI { 1157} (( segid " " and resid 42 and name HN )) ( segid " " and resid 39 and name HG2%) 3.300 1.300 1.300 peak 1157 spectrum 1 weight 0.11000E+01 volume 0.84468E-03 ppm1 7.223 ppm2 0.740 CV 1 ASSI { 1158} (( segid " " and resid 52 and name HN )) (( segid " " and resid 78 and name HA )) 3.900 3.900 2.100 peak 1158 spectrum 1 weight 0.11000E+01 volume 0.27173E-03 ppm1 8.892 ppm2 5.135 CV 1 ASSI { 1159} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB3 )) 3.000 1.100 1.100 peak 1159 spectrum 1 weight 0.11000E+01 volume 0.15197E-02 ppm1 7.966 ppm2 2.053 CV 1 ASSI { 1160} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HB )) 3.600 3.600 2.400 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.49296E-03 ppm1 8.179 ppm2 2.254 CV 1 ASSI { 1163} (( segid " " and resid 34 and name HN )) (( segid " " and resid 31 and name HA )) 4.200 2.200 1.800 peak 1163 spectrum 1 weight 0.11000E+01 volume 0.18417E-03 ppm1 8.179 ppm2 5.147 CV 1 ASSI { 1165} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HD3 )) 3.200 1.300 1.300 peak 1165 spectrum 1 weight 0.11000E+01 volume 0.89981E-03 ppm1 8.005 ppm2 1.426 CV 1 ASSI { 1167} (( segid " " and resid 36 and name HN )) (( segid " " and resid 39 and name HG12)) 3.000 1.100 1.100 peak 1167 spectrum 1 weight 0.11000E+01 volume 0.13886E-02 ppm1 9.022 ppm2 1.979 CV 1 ASSI { 1168} (( segid " " and resid 8 and name HN )) (( segid " " and resid 27 and name HA )) 2.900 1.000 1.000 peak 1168 spectrum 1 weight 0.11000E+01 volume 0.17818E-02 ppm1 9.087 ppm2 4.929 CV 1 ASSI { 1169} (( segid " " and resid 8 and name HN )) ( segid " " and resid 65 and name HE% ) 3.200 1.200 1.200 peak 1169 spectrum 1 weight 0.11000E+01 volume 0.10295E-02 ppm1 9.087 ppm2 1.814 CV 1 ASSI { 1172} (( segid " " and resid 24 and name HN )) (( segid " " and resid 9 and name HA )) 3.500 1.500 1.500 peak 1172 spectrum 1 weight 0.11000E+01 volume 0.55577E-03 ppm1 9.084 ppm2 4.814 CV 1 ASSI { 1176} (( segid " " and resid 10 and name HN )) (( segid " " and resid 23 and name HA )) 3.000 1.100 1.100 peak 1176 spectrum 1 weight 0.11000E+01 volume 0.15502E-02 ppm1 8.711 ppm2 4.438 CV 1 ASSI { 1181} (( segid " " and resid 11 and name HN )) (( segid " " and resid 73 and name HA1 )) 4.400 4.400 1.600 peak 1181 spectrum 1 weight 0.11000E+01 volume 0.14631E-03 ppm1 8.239 ppm2 4.354 CV 1 ASSI { 1182} (( segid " " and resid 11 and name HN )) (( segid " " and resid 73 and name HA2 )) 4.600 2.600 1.400 peak 1182 spectrum 1 weight 0.11000E+01 volume 0.10813E-03 ppm1 8.239 ppm2 3.654 CV 1 ASSI { 1183} (( segid " " and resid 11 and name HN )) (( segid " " and resid 76 and name HG )) 3.800 1.800 1.800 peak 1183 spectrum 1 weight 0.11000E+01 volume 0.35207E-03 ppm1 8.239 ppm2 1.583 CV 1 ASSI { 1184} (( segid " " and resid 11 and name HN )) ( segid " " and resid 76 and name HD1%) 3.000 1.100 1.100 peak 1184 spectrum 1 weight 0.11000E+01 volume 0.13762E-02 ppm1 8.239 ppm2 0.680 CV 1 ASSI { 1185} (( segid " " and resid 11 and name HN )) ( segid " " and resid 75 and name HD2%) 3.200 1.300 1.300 peak 1185 spectrum 1 weight 0.11000E+01 volume 0.93191E-03 ppm1 8.239 ppm2 0.879 CV 1 ASSI { 1187} (( segid " " and resid 13 and name HN )) (( segid " " and resid 76 and name HB3 )) 3.600 1.700 1.700 peak 1187 spectrum 1 weight 0.11000E+01 volume 0.44086E-03 ppm1 9.164 ppm2 1.117 CV 1 ASSI { 1189} (( segid " " and resid 13 and name HN )) ( segid " " and resid 12 and name HD2%) 3.000 1.100 1.100 peak 1189 spectrum 1 weight 0.11000E+01 volume 0.14010E-02 ppm1 9.164 ppm2 0.789 CV 1 ASSI { 1190} (( segid " " and resid 14 and name HN )) (( segid " " and resid 20 and name HA )) 4.100 2.100 1.900 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.21817E-03 ppm1 8.733 ppm2 4.171 CV 1 ASSI { 1193} (( segid " " and resid 22 and name HN )) (( segid " " and resid 12 and name HA )) 4.100 4.100 1.900 peak 1193 spectrum 1 weight 0.11000E+01 volume 0.22529E-03 ppm1 9.192 ppm2 5.078 CV 1 ASSI { 1195} (( segid " " and resid 24 and name HN )) (( segid " " and resid 12 and name HB2 )) 4.100 2.100 1.900 peak 1195 spectrum 1 weight 0.11000E+01 volume 0.20790E-03 ppm1 9.084 ppm2 1.971 CV 1 ASSI { 1196} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HB2 )) 4.100 2.100 1.900 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.21851E-03 ppm1 9.084 ppm2 2.910 CV 1 ASSI { 1197} (( segid " " and resid 25 and name HN )) ( segid " " and resid 26 and name HG1%) 4.000 2.000 2.000 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.23739E-03 ppm1 8.210 ppm2 0.879 CV 1 ASSI { 1198} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HA )) 3.600 1.600 1.600 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.45827E-03 ppm1 8.604 ppm2 4.929 CV 1 ASSI { 1199} (( segid " " and resid 26 and name HN )) (( segid " " and resid 7 and name HB3 )) 3.300 1.400 1.400 peak 1199 spectrum 1 weight 0.11000E+01 volume 0.79971E-03 ppm1 8.604 ppm2 1.793 CV 1 ASSI { 1200} (( segid " " and resid 26 and name HN )) (( segid " " and resid 10 and name HB3 )) 4.100 2.100 1.900 peak 1200 spectrum 1 weight 0.11000E+01 volume 0.20981E-03 ppm1 8.604 ppm2 1.315 CV 1 ASSI { 1203} (( segid " " and resid 27 and name HN )) (( segid " " and resid 7 and name HG2 )) 3.200 1.300 1.300 peak 1203 spectrum 1 weight 0.11000E+01 volume 0.10140E-02 ppm1 8.542 ppm2 2.137 CV 1 ASSI { 1208} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB )) 3.000 1.200 1.200 peak 1208 spectrum 1 weight 0.11000E+01 volume 0.13174E-02 ppm1 8.926 ppm2 4.171 CV 1 ASSI { 1210} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HB2 )) 4.300 4.300 1.700 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.16948E-03 ppm1 7.688 ppm2 2.322 CV 1 ASSI { 1215} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HB )) 3.200 1.300 1.300 peak 1215 spectrum 1 weight 0.11000E+01 volume 0.10102E-02 ppm1 7.902 ppm2 2.115 CV 1 ASSI { 1216} (( segid " " and resid 49 and name HN )) ( segid " " and resid 45 and name HG2%) 3.100 1.200 1.200 peak 1216 spectrum 1 weight 0.11000E+01 volume 0.11694E-02 ppm1 7.902 ppm2 0.875 CV 1 ASSI { 1217} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HD3 )) 4.400 4.400 1.600 peak 1217 spectrum 1 weight 0.11000E+01 volume 0.14722E-03 ppm1 7.902 ppm2 3.711 CV 1 ASSI { 1218} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HA )) 2.800 1.000 1.000 peak 1218 spectrum 1 weight 0.11000E+01 volume 0.21614E-02 ppm1 7.284 ppm2 4.067 CV 1 ASSI { 1220} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HG12)) 2.900 2.900 3.100 peak 1220 spectrum 1 weight 0.11000E+01 volume 0.18845E-02 ppm1 7.284 ppm2 0.890 CV 1 ASSI { 1222} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HA )) 4.100 2.100 1.900 peak 1222 spectrum 1 weight 0.11000E+01 volume 0.21727E-03 ppm1 8.635 ppm2 5.285 CV 1 ASSI { 1227} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HG )) 4.100 2.100 1.900 peak 1227 spectrum 1 weight 0.11000E+01 volume 0.21083E-03 ppm1 10.237 ppm2 1.587 CV 1 ASSI { 1228} (( segid " " and resid 55 and name HD22)) (( segid " " and resid 55 and name HA )) 4.100 2.100 1.900 peak 1228 spectrum 1 weight 0.11000E+01 volume 0.21817E-03 ppm1 6.941 ppm2 4.469 CV 1 ASSI { 1229} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA )) 2.900 2.900 3.100 peak 1229 spectrum 1 weight 0.11000E+01 volume 0.17027E-02 ppm1 8.837 ppm2 4.745 CV 1 ASSI { 1230} (( segid " " and resid 56 and name HN )) ( segid " " and resid 53 and name HG2%) 3.300 1.300 1.300 peak 1230 spectrum 1 weight 0.11000E+01 volume 0.84977E-03 ppm1 8.837 ppm2 0.955 CV 1 ASSI { 1231} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA2 )) 3.100 1.200 1.200 peak 1231 spectrum 1 weight 0.11000E+01 volume 0.11273E-02 ppm1 7.923 ppm2 3.585 CV 1 ASSI { 1232} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HA )) 3.700 1.800 1.800 peak 1232 spectrum 1 weight 0.11000E+01 volume 0.37251E-03 ppm1 7.923 ppm2 4.481 CV 1 ASSI { 1233} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HA )) 3.800 1.800 1.800 peak 1233 spectrum 1 weight 0.11000E+01 volume 0.36031E-03 ppm1 7.923 ppm2 4.630 CV 1 ASSI { 1234} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HA )) 3.700 3.700 2.300 peak 1234 spectrum 1 weight 0.11000E+01 volume 0.42810E-03 ppm1 7.923 ppm2 4.906 CV 1 ASSI { 1235} (( segid " " and resid 57 and name HN )) ( segid " " and resid 53 and name HG2%) 3.000 1.100 1.100 peak 1235 spectrum 1 weight 0.11000E+01 volume 0.15592E-02 ppm1 7.923 ppm2 0.967 CV 1 ASSI { 1236} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HB3 )) 4.000 2.000 2.000 peak 1236 spectrum 1 weight 0.11000E+01 volume 0.25061E-03 ppm1 7.923 ppm2 1.173 CV 1 ASSI { 1238} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HA )) 3.600 1.700 1.700 peak 1238 spectrum 1 weight 0.11000E+01 volume 0.43963E-03 ppm1 8.654 ppm2 5.124 CV 1 ASSI { 1240} (( segid " " and resid 58 and name HN )) (( segid " " and resid 54 and name HB3 )) 3.800 1.800 1.800 peak 1240 spectrum 1 weight 0.11000E+01 volume 0.33669E-03 ppm1 8.654 ppm2 1.168 CV 1 ASSI { 1241} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HA )) 4.200 2.200 1.800 peak 1241 spectrum 1 weight 0.11000E+01 volume 0.19264E-03 ppm1 8.047 ppm2 4.297 CV 1 ASSI { 1243} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HA )) 4.000 2.000 2.000 peak 1243 spectrum 1 weight 0.11000E+01 volume 0.24133E-03 ppm1 7.481 ppm2 5.250 CV 1 ASSI { 1245} (( segid " " and resid 64 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.800 1.800 1.800 peak 1245 spectrum 1 weight 0.11000E+01 volume 0.32946E-03 ppm1 9.186 ppm2 4.596 CV 1 ASSI { 1246} (( segid " " and resid 65 and name HN )) (( segid " " and resid 31 and name HB3 )) 4.100 2.100 1.900 peak 1246 spectrum 1 weight 0.11000E+01 volume 0.20337E-03 ppm1 8.795 ppm2 4.090 CV 1 ASSI { 1247} (( segid " " and resid 64 and name HN )) (( segid " " and resid 29 and name HA )) 4.200 2.200 1.800 peak 1247 spectrum 1 weight 0.11000E+01 volume 0.19468E-03 ppm1 9.186 ppm2 4.400 CV 1 ASSI { 1248} (( segid " " and resid 32 and name HN )) (( segid " " and resid 65 and name HA )) 2.600 2.600 3.400 peak 1248 spectrum 1 weight 0.11000E+01 volume 0.33432E-02 ppm1 8.597 ppm2 4.779 CV 1 ASSI { 1250} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB3 )) 2.900 2.900 3.100 peak 1250 spectrum 1 weight 0.11000E+01 volume 0.17841E-02 ppm1 8.597 ppm2 4.067 CV 1 ASSI { 1251} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.400 0.700 0.700 peak 1251 spectrum 1 weight 0.11000E+01 volume 0.48798E-02 ppm1 8.597 ppm2 5.124 CV 1 ASSI { 1253} (( segid " " and resid 57 and name HN )) ( segid " " and resid 54 and name HD2%) 4.100 2.100 1.900 peak 1253 spectrum 1 weight 0.11000E+01 volume 0.20506E-03 ppm1 7.923 ppm2 0.737 CV 1 ASSI { 1259} (( segid " " and resid 75 and name HN )) ( segid " " and resid 76 and name HD1%) 3.900 3.900 2.100 peak 1259 spectrum 1 weight 0.11000E+01 volume 0.31398E-03 ppm1 8.284 ppm2 0.634 CV 1 ASSI { 1260} (( segid " " and resid 77 and name HN )) ( segid " " and resid 54 and name HD1%) 3.400 1.400 1.400 peak 1260 spectrum 1 weight 0.11000E+01 volume 0.71712E-03 ppm1 8.918 ppm2 0.955 CV 1 ASSI { 1261} (( segid " " and resid 77 and name HN )) ( segid " " and resid 54 and name HD2%) 2.700 2.700 3.300 peak 1261 spectrum 1 weight 0.11000E+01 volume 0.25919E-02 ppm1 8.918 ppm2 0.726 CV 1 ASSI { 1264} (( segid " " and resid 81 and name HN )) (( segid " " and resid 49 and name HB )) 3.600 1.600 1.600 peak 1264 spectrum 1 weight 0.11000E+01 volume 0.50696E-03 ppm1 8.434 ppm2 4.251 CV 1 ASSI { 1268} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name HG3 )) 3.800 3.800 2.200 peak 1268 spectrum 1 weight 0.11000E+01 volume 0.32529E-03 ppm1 8.926 ppm2 1.914 CV 1 ASSI { 1269} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name HB2 )) 4.200 2.200 1.800 peak 1269 spectrum 1 weight 0.11000E+01 volume 0.19218E-03 ppm1 8.926 ppm2 2.358 CV 1 ASSI { 1270} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA )) 4.100 2.100 1.900 peak 1270 spectrum 1 weight 0.11000E+01 volume 0.20631E-03 ppm1 7.223 ppm2 4.534 CV 1 ASSI { 1271} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HD3 )) 4.200 4.200 1.800 peak 1271 spectrum 1 weight 0.11000E+01 volume 0.17513E-03 ppm1 7.911 ppm2 1.117 CV 1 ASSI { 1272} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HB )) 3.000 1.100 1.100 peak 1272 spectrum 1 weight 0.11000E+01 volume 0.13581E-02 ppm1 7.689 ppm2 4.176 CV 1 ASSI { 1273} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB )) 3.300 1.400 1.400 peak 1273 spectrum 1 weight 0.11000E+01 volume 0.74164E-03 ppm1 8.163 ppm2 1.560 CV 1 ASSI { 1274} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.000 3.000 3.000 peak 1274 spectrum 1 weight 0.11000E+01 volume 0.14067E-02 ppm1 7.902 ppm2 4.329 CV 1 ASSI { 1275} (( segid " " and resid 21 and name HN )) (( segid " " and resid 13 and name HA )) 4.000 2.000 2.000 peak 1275 spectrum 1 weight 0.11000E+01 volume 0.26122E-03 ppm1 7.873 ppm2 4.529 CV 1 ASSI { 1277} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HN )) 3.300 1.400 1.400 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.76977E-03 ppm1 7.977 ppm2 8.526 CV 1 ASSI { 1278} (( segid " " and resid 73 and name HN )) ( segid " " and resid 11 and name HD% ) 4.300 2.300 1.700 peak 1278 spectrum 1 weight 0.11000E+01 volume 0.16236E-03 ppm1 9.210 ppm2 6.945 CV 1 ASSI { 1279} (( segid " " and resid 74 and name HD21)) (( segid " " and resid 74 and name HB3 )) 4.200 4.200 1.800 peak 1279 spectrum 1 weight 0.11000E+01 volume 0.19795E-03 ppm1 7.536 ppm2 2.765 CV 1 ASSI { 1280} (( segid " " and resid 74 and name HD21)) (( segid " " and resid 71 and name HD2 )) 4.300 2.300 1.700 peak 1280 spectrum 1 weight 0.11000E+01 volume 0.16880E-03 ppm1 7.536 ppm2 3.283 CV 1 ASSI { 1281} (( segid " " and resid 75 and name HN )) ( segid " " and resid 11 and name HE% ) 3.700 3.700 2.300 peak 1281 spectrum 1 weight 0.11000E+01 volume 0.39387E-03 ppm1 8.284 ppm2 7.347 CV 1 ASSI { 1282} (( segid " " and resid 74 and name HD21)) ( segid " " and resid 11 and name HE% ) 3.900 3.900 2.100 peak 1282 spectrum 1 weight 0.11000E+01 volume 0.31353E-03 ppm1 7.536 ppm2 7.328 CV 1 ASSI { 1283} (( segid " " and resid 76 and name HN )) ( segid " " and resid 13 and name HG2%) 3.100 1.200 1.200 peak 1283 spectrum 1 weight 0.11000E+01 volume 0.11366E-02 ppm1 9.035 ppm2 0.597 CV 1 ASSI { 1285} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 2.200 0.600 0.600 peak 1285 spectrum 1 weight 0.11000E+01 volume 0.10225E-01 ppm1 9.035 ppm2 5.028 CV 1 ASSI { 1286} (( segid " " and resid 70 and name HN )) ( segid " " and resid 65 and name HE% ) 3.800 1.800 1.800 peak 1286 spectrum 1 weight 0.11000E+01 volume 0.36800E-03 ppm1 6.700 ppm2 1.800 CV 1 ASSI { 4} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 2 and name HA )) 2.800 0.900 0.900 peak 4 spectrum 1 weight 0.11000E+01 volume 0.22621E-02 ppm1 1.457 ppm2 4.432 CV 1 ASSI { 7} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB2 )) 2.700 0.900 0.900 peak 7 spectrum 1 weight 0.11000E+01 volume 0.25003E-02 ppm1 4.532 ppm2 2.142 CV 1 ASSI { 9} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HG3 )) 4.000 2.000 2.000 peak 9 spectrum 1 weight 0.11000E+01 volume 0.23444E-03 ppm1 4.532 ppm2 2.627 CV 1 ASSI { 13} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HG3 )) 2.700 0.900 0.900 peak 13 spectrum 1 weight 0.11000E+01 volume 0.25929E-02 ppm1 2.142 ppm2 2.627 CV 1 ASSI { 14} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 3 and name HA )) 3.700 1.800 1.800 peak 14 spectrum 1 weight 0.11000E+01 volume 0.35767E-03 ppm1 2.700 ppm2 4.532 CV 1 ASSI { 15} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 3 and name HB2 )) 2.400 0.700 0.700 peak 15 spectrum 1 weight 0.11000E+01 volume 0.45904E-02 ppm1 2.700 ppm2 2.142 CV 1 ASSI { 17} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 3 and name HG3 )) 1.600 0.300 0.600 peak 17 spectrum 1 weight 0.11000E+01 volume 0.50437E-01 ppm1 2.700 ppm2 2.627 CV 1 ASSI { 25} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HA )) 3.000 1.100 1.100 peak 25 spectrum 1 weight 0.11000E+01 volume 0.14495E-02 ppm1 2.810 ppm2 4.886 CV 1 ASSI { 27} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HB3 )) 1.700 0.400 0.500 peak 27 spectrum 1 weight 0.11000E+01 volume 0.42238E-01 ppm1 2.810 ppm2 2.593 CV 1 ASSI { 28} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HA )) 2.900 1.000 1.000 peak 28 spectrum 1 weight 0.11000E+01 volume 0.18103E-02 ppm1 2.593 ppm2 4.886 CV 1 ASSI { 33} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB2 )) 2.400 0.700 0.700 peak 33 spectrum 1 weight 0.11000E+01 volume 0.55837E-02 ppm1 4.239 ppm2 2.047 CV 1 ASSI { 34} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HG2 )) 3.000 1.100 1.100 peak 34 spectrum 1 weight 0.11000E+01 volume 0.14896E-02 ppm1 4.239 ppm2 2.326 CV 1 ASSI { 38} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HG2 )) 2.200 0.600 0.600 peak 38 spectrum 1 weight 0.11000E+01 volume 0.98819E-02 ppm1 2.047 ppm2 2.326 CV 1 ASSI { 46} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB3 )) 2.600 0.800 0.800 peak 46 spectrum 1 weight 0.11000E+01 volume 0.32320E-02 ppm1 4.218 ppm2 1.791 CV 1 ASSI { 48} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG3 )) 2.600 0.800 0.800 peak 48 spectrum 1 weight 0.11000E+01 volume 0.34805E-02 ppm1 4.218 ppm2 1.999 CV 1 ASSI { 50} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 50 spectrum 1 weight 0.11000E+01 volume 0.14823E-02 ppm1 1.917 ppm2 4.218 CV 1 ASSI { 52} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HB3 )) 2.000 0.500 0.500 peak 52 spectrum 1 weight 0.11000E+01 volume 0.16091E-01 ppm1 1.917 ppm2 1.791 CV 1 ASSI { 53} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HG2 )) 2.600 0.800 0.800 peak 53 spectrum 1 weight 0.11000E+01 volume 0.33960E-02 ppm1 1.917 ppm2 2.192 CV 1 ASSI { 54} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HG3 )) 2.000 0.500 0.500 peak 54 spectrum 1 weight 0.11000E+01 volume 0.14335E-01 ppm1 1.917 ppm2 1.999 CV 1 ASSI { 62} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 62 spectrum 1 weight 0.11000E+01 volume 0.14473E-02 ppm1 2.192 ppm2 4.218 CV 1 ASSI { 64} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB3 )) 2.700 0.900 0.900 peak 64 spectrum 1 weight 0.11000E+01 volume 0.27095E-02 ppm1 2.192 ppm2 1.791 CV 1 ASSI { 66} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HG3 )) 2.000 0.500 0.500 peak 66 spectrum 1 weight 0.11000E+01 volume 0.16586E-01 ppm1 2.192 ppm2 1.999 CV 1 ASSI { 70} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HB3 )) 2.600 0.800 0.800 peak 70 spectrum 1 weight 0.11000E+01 volume 0.34710E-02 ppm1 1.999 ppm2 1.791 CV 1 ASSI { 81} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) 3.100 1.200 1.200 peak 81 spectrum 1 weight 0.11000E+01 volume 0.10188E-02 ppm1 1.698 ppm2 4.875 CV 1 ASSI { 84} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HG )) 1.700 1.700 4.300 peak 84 spectrum 1 weight 0.11000E+01 volume 0.38260E-01 ppm1 1.698 ppm2 1.719 CV 1 ASSI { 86} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 8 and name HD2%) 2.600 0.800 0.800 peak 86 spectrum 1 weight 0.11000E+01 volume 0.31475E-02 ppm1 1.698 ppm2 0.822 CV 1 ASSI { 88} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 8 and name HA )) 2.900 1.100 1.100 peak 88 spectrum 1 weight 0.11000E+01 volume 0.16178E-02 ppm1 1.064 ppm2 4.875 CV 1 ASSI { 89} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 8 and name HB2 )) 2.100 0.500 0.500 peak 89 spectrum 1 weight 0.11000E+01 volume 0.12200E-01 ppm1 1.064 ppm2 1.698 CV 1 ASSI { 92} (( segid " " and resid 8 and name HB3 )) ( segid " " and resid 8 and name HD1%) 2.700 0.900 0.900 peak 92 spectrum 1 weight 0.11000E+01 volume 0.25470E-02 ppm1 1.064 ppm2 0.724 CV 1 ASSI { 93} (( segid " " and resid 8 and name HB3 )) ( segid " " and resid 8 and name HD2%) 2.700 0.900 0.900 peak 93 spectrum 1 weight 0.11000E+01 volume 0.24246E-02 ppm1 1.064 ppm2 0.822 CV 1 ASSI { 95} (( segid " " and resid 8 and name HG )) (( segid " " and resid 8 and name HA )) 3.100 1.200 1.200 peak 95 spectrum 1 weight 0.11000E+01 volume 0.10749E-02 ppm1 1.719 ppm2 4.875 CV 1 ASSI { 97} (( segid " " and resid 8 and name HG )) (( segid " " and resid 8 and name HB3 )) 3.000 1.200 1.200 peak 97 spectrum 1 weight 0.11000E+01 volume 0.12651E-02 ppm1 1.719 ppm2 1.064 CV 1 ASSI { 101} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 8 and name HN )) 3.400 1.500 1.500 peak 101 spectrum 1 weight 0.11000E+01 volume 0.59117E-03 ppm1 0.724 ppm2 9.108 CV 1 ASSI { 102} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 8 and name HA )) 3.000 1.200 1.200 peak 102 spectrum 1 weight 0.11000E+01 volume 0.12257E-02 ppm1 0.724 ppm2 4.875 CV 1 ASSI { 103} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 8 and name HB2 )) 2.100 0.500 0.500 peak 103 spectrum 1 weight 0.11000E+01 volume 0.12928E-01 ppm1 0.724 ppm2 1.698 CV 1 ASSI { 105} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 8 and name HG )) 2.100 0.500 0.500 peak 105 spectrum 1 weight 0.11000E+01 volume 0.12928E-01 ppm1 0.724 ppm2 1.719 CV 1 ASSI { 107} ( segid " " and resid 8 and name HD1%) ( segid " " and resid 8 and name HD2%) 1.800 0.400 0.400 peak 107 spectrum 1 weight 0.11000E+01 volume 0.28254E-01 ppm1 0.724 ppm2 0.822 CV 1 ASSI { 109} ( segid " " and resid 8 and name HD2%) (( segid " " and resid 8 and name HA )) 2.600 0.800 0.800 peak 109 spectrum 1 weight 0.11000E+01 volume 0.32597E-02 ppm1 0.822 ppm2 4.875 CV 1 ASSI { 112} ( segid " " and resid 8 and name HD2%) (( segid " " and resid 8 and name HG )) 2.100 0.500 0.500 peak 112 spectrum 1 weight 0.11000E+01 volume 0.12404E-01 ppm1 0.822 ppm2 1.719 CV 1 ASSI { 116} (( segid " " and resid 9 and name HD2 )) (( segid " " and resid 9 and name HB2 )) 3.100 1.200 1.200 peak 116 spectrum 1 weight 0.11000E+01 volume 0.11194E-02 ppm1 3.914 ppm2 2.052 CV 1 ASSI { 117} (( segid " " and resid 9 and name HD2 )) (( segid " " and resid 9 and name HB3 )) 3.000 1.200 1.200 peak 117 spectrum 1 weight 0.11000E+01 volume 0.12418E-02 ppm1 3.914 ppm2 1.727 CV 1 ASSI { 119} (( segid " " and resid 9 and name HD2 )) (( segid " " and resid 9 and name HG3 )) 2.700 0.900 0.900 peak 119 spectrum 1 weight 0.11000E+01 volume 0.23022E-02 ppm1 3.914 ppm2 2.163 CV 1 ASSI { 121} (( segid " " and resid 9 and name HD2 )) (( segid " " and resid 9 and name HD3 )) 2.200 0.600 0.600 peak 121 spectrum 1 weight 0.11000E+01 volume 0.92989E-02 ppm1 3.914 ppm2 3.602 CV 1 ASSI { 123} (( segid " " and resid 9 and name HD3 )) (( segid " " and resid 9 and name HB2 )) 3.400 1.400 1.400 peak 123 spectrum 1 weight 0.11000E+01 volume 0.66068E-03 ppm1 3.602 ppm2 2.052 CV 1 ASSI { 124} (( segid " " and resid 9 and name HD3 )) (( segid " " and resid 9 and name HB3 )) 3.000 1.100 1.100 peak 124 spectrum 1 weight 0.11000E+01 volume 0.14473E-02 ppm1 3.602 ppm2 1.727 CV 1 ASSI { 125} (( segid " " and resid 9 and name HD3 )) (( segid " " and resid 9 and name HG2 )) 2.800 0.900 0.900 peak 125 spectrum 1 weight 0.11000E+01 volume 0.22621E-02 ppm1 3.602 ppm2 2.336 CV 1 ASSI { 126} (( segid " " and resid 9 and name HD3 )) (( segid " " and resid 9 and name HG3 )) 2.800 1.000 1.000 peak 126 spectrum 1 weight 0.11000E+01 volume 0.19931E-02 ppm1 3.602 ppm2 2.163 CV 1 ASSI { 134} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HD2 )) 4.800 2.800 1.200 peak 134 spectrum 1 weight 0.11000E+01 volume 0.84316E-04 ppm1 4.859 ppm2 3.914 CV 1 ASSI { 135} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HD3 )) 4.200 2.200 1.800 peak 135 spectrum 1 weight 0.11000E+01 volume 0.18817E-03 ppm1 4.859 ppm2 3.602 CV 1 ASSI { 136} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 136 spectrum 1 weight 0.11000E+01 volume 0.27787E-02 ppm1 2.052 ppm2 4.859 CV 1 ASSI { 138} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HB3 )) 2.000 0.500 0.500 peak 138 spectrum 1 weight 0.11000E+01 volume 0.15231E-01 ppm1 2.052 ppm2 1.727 CV 1 ASSI { 139} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HG2 )) 2.300 0.600 0.600 peak 139 spectrum 1 weight 0.11000E+01 volume 0.74551E-02 ppm1 2.052 ppm2 2.336 CV 1 ASSI { 140} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HG3 )) 2.300 0.700 0.700 peak 140 spectrum 1 weight 0.11000E+01 volume 0.66229E-02 ppm1 2.052 ppm2 2.163 CV 1 ASSI { 143} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 143 spectrum 1 weight 0.11000E+01 volume 0.18991E-02 ppm1 1.727 ppm2 4.859 CV 1 ASSI { 146} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HG2 )) 2.800 1.000 1.000 peak 146 spectrum 1 weight 0.11000E+01 volume 0.18853E-02 ppm1 1.727 ppm2 2.336 CV 1 ASSI { 147} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HG3 )) 2.700 0.900 0.900 peak 147 spectrum 1 weight 0.11000E+01 volume 0.24275E-02 ppm1 1.727 ppm2 2.163 CV 1 ASSI { 150} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HA )) 3.400 1.400 1.400 peak 150 spectrum 1 weight 0.11000E+01 volume 0.69049E-03 ppm1 2.336 ppm2 4.859 CV 1 ASSI { 154} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HG3 )) 2.200 0.600 0.600 peak 154 spectrum 1 weight 0.11000E+01 volume 0.90729E-02 ppm1 2.336 ppm2 2.163 CV 1 ASSI { 155} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HD2 )) 2.800 1.000 1.000 peak 155 spectrum 1 weight 0.11000E+01 volume 0.20434E-02 ppm1 2.336 ppm2 3.914 CV 1 ASSI { 157} (( segid " " and resid 9 and name HG3 )) (( segid " " and resid 9 and name HA )) 3.200 1.300 1.300 peak 157 spectrum 1 weight 0.11000E+01 volume 0.92406E-03 ppm1 2.163 ppm2 4.859 CV 1 ASSI { 164} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) 2.600 0.800 0.800 peak 164 spectrum 1 weight 0.11000E+01 volume 0.35737E-02 ppm1 4.657 ppm2 8.750 CV 1 ASSI { 166} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) 2.700 0.900 0.900 peak 166 spectrum 1 weight 0.11000E+01 volume 0.27984E-02 ppm1 4.657 ppm2 1.481 CV 1 ASSI { 167} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB3 )) 2.600 0.800 0.800 peak 167 spectrum 1 weight 0.11000E+01 volume 0.34849E-02 ppm1 4.657 ppm2 1.367 CV 1 ASSI { 168} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG )) 2.800 1.000 1.000 peak 168 spectrum 1 weight 0.11000E+01 volume 0.21294E-02 ppm1 4.657 ppm2 1.727 CV 1 ASSI { 169} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HD1%) 2.700 2.700 3.300 peak 169 spectrum 1 weight 0.11000E+01 volume 0.25732E-02 ppm1 4.657 ppm2 0.809 CV 1 ASSI { 170} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HD2%) 3.000 1.100 1.100 peak 170 spectrum 1 weight 0.11000E+01 volume 0.14408E-02 ppm1 4.657 ppm2 0.753 CV 1 ASSI { 174} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HB3 )) 2.000 0.500 0.500 peak 174 spectrum 1 weight 0.11000E+01 volume 0.16696E-01 ppm1 1.481 ppm2 1.367 CV 1 ASSI { 175} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HG )) 2.800 1.000 1.000 peak 175 spectrum 1 weight 0.11000E+01 volume 0.21229E-02 ppm1 1.481 ppm2 1.727 CV 1 ASSI { 176} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 10 and name HD1%) 2.600 0.800 0.800 peak 176 spectrum 1 weight 0.11000E+01 volume 0.35220E-02 ppm1 1.481 ppm2 0.809 CV 1 ASSI { 177} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 10 and name HD2%) 2.400 0.700 0.700 peak 177 spectrum 1 weight 0.11000E+01 volume 0.57163E-02 ppm1 1.481 ppm2 0.753 CV 1 ASSI { 183} (( segid " " and resid 10 and name HB3 )) ( segid " " and resid 10 and name HD1%) 2.500 0.800 0.800 peak 183 spectrum 1 weight 0.11000E+01 volume 0.44979E-02 ppm1 1.367 ppm2 0.809 CV 1 ASSI { 188} (( segid " " and resid 10 and name HG )) (( segid " " and resid 10 and name HB3 )) 2.600 0.800 0.800 peak 188 spectrum 1 weight 0.11000E+01 volume 0.34237E-02 ppm1 1.727 ppm2 1.367 CV 1 ASSI { 191} (( segid " " and resid 10 and name HG )) ( segid " " and resid 10 and name HD2%) 2.600 0.800 0.800 peak 191 spectrum 1 weight 0.11000E+01 volume 0.35039E-02 ppm1 1.727 ppm2 0.753 CV 1 ASSI { 196} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HG )) 2.200 0.600 0.600 peak 196 spectrum 1 weight 0.11000E+01 volume 0.85993E-02 ppm1 0.809 ppm2 1.727 CV 1 ASSI { 202} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB3 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.11000E+01 volume 0.26957E-02 ppm1 0.753 ppm2 1.367 CV 1 ASSI { 204} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 10 and name HD1%) 1.600 0.300 0.600 peak 204 spectrum 1 weight 0.11000E+01 volume 0.54037E-01 ppm1 0.753 ppm2 0.809 CV 1 ASSI { 208} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 3.000 1.100 1.100 peak 208 spectrum 1 weight 0.11000E+01 volume 0.14728E-02 ppm1 5.412 ppm2 2.788 CV 1 ASSI { 209} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB3 )) 2.700 0.900 0.900 peak 209 spectrum 1 weight 0.11000E+01 volume 0.23116E-02 ppm1 5.412 ppm2 2.601 CV 1 ASSI { 213} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HB3 )) 1.700 0.400 0.500 peak 213 spectrum 1 weight 0.11000E+01 volume 0.36721E-01 ppm1 2.788 ppm2 2.601 CV 1 ASSI { 220} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) 3.000 1.100 1.100 peak 220 spectrum 1 weight 0.11000E+01 volume 0.12899E-02 ppm1 5.098 ppm2 2.013 CV 1 ASSI { 221} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB3 )) 2.800 1.000 1.000 peak 221 spectrum 1 weight 0.11000E+01 volume 0.19108E-02 ppm1 5.098 ppm2 1.301 CV 1 ASSI { 222} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG )) 2.900 1.100 1.100 peak 222 spectrum 1 weight 0.11000E+01 volume 0.15202E-02 ppm1 5.098 ppm2 1.533 CV 1 ASSI { 224} (( segid " " and resid 12 and name HA )) ( segid " " and resid 12 and name HD2%) 2.900 1.100 1.100 peak 224 spectrum 1 weight 0.11000E+01 volume 0.15573E-02 ppm1 5.098 ppm2 0.723 CV 1 ASSI { 229} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HG )) 3.000 1.100 1.100 peak 229 spectrum 1 weight 0.11000E+01 volume 0.13963E-02 ppm1 2.013 ppm2 1.533 CV 1 ASSI { 232} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HN )) 3.200 1.300 1.300 peak 232 spectrum 1 weight 0.11000E+01 volume 0.96341E-03 ppm1 1.301 ppm2 9.336 CV 1 ASSI { 234} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 234 spectrum 1 weight 0.11000E+01 volume 0.52594E-02 ppm1 1.301 ppm2 2.013 CV 1 ASSI { 238} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 12 and name HD2%) 2.700 0.900 0.900 peak 238 spectrum 1 weight 0.11000E+01 volume 0.27321E-02 ppm1 1.301 ppm2 0.723 CV 1 ASSI { 242} (( segid " " and resid 12 and name HG )) (( segid " " and resid 12 and name HB3 )) 2.100 0.600 0.600 peak 242 spectrum 1 weight 0.11000E+01 volume 0.11558E-01 ppm1 1.533 ppm2 1.301 CV 1 ASSI { 244} (( segid " " and resid 12 and name HG )) ( segid " " and resid 12 and name HD1%) 2.300 0.700 0.700 peak 244 spectrum 1 weight 0.11000E+01 volume 0.58927E-02 ppm1 1.533 ppm2 0.906 CV 1 ASSI { 247} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 12 and name HA )) 2.400 0.700 0.700 peak 247 spectrum 1 weight 0.11000E+01 volume 0.50939E-02 ppm1 0.906 ppm2 5.098 CV 1 ASSI { 248} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 12 and name HB2 )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.11000E+01 volume 0.27656E-02 ppm1 0.906 ppm2 2.013 CV 1 ASSI { 249} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 12 and name HB3 )) 2.400 0.700 0.700 peak 249 spectrum 1 weight 0.11000E+01 volume 0.51931E-02 ppm1 0.906 ppm2 1.301 CV 1 ASSI { 252} ( segid " " and resid 12 and name HD1%) ( segid " " and resid 12 and name HD2%) 2.100 0.500 0.500 peak 252 spectrum 1 weight 0.11000E+01 volume 0.12119E-01 ppm1 0.906 ppm2 0.723 CV 1 ASSI { 255} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 12 and name HB2 )) 2.900 1.000 1.000 peak 255 spectrum 1 weight 0.11000E+01 volume 0.18080E-02 ppm1 0.723 ppm2 2.013 CV 1 ASSI { 257} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 12 and name HG )) 2.100 0.600 0.600 peak 257 spectrum 1 weight 0.11000E+01 volume 0.10254E-01 ppm1 0.723 ppm2 1.533 CV 1 ASSI { 263} (( segid " " and resid 13 and name HA )) ( segid " " and resid 13 and name HG1%) 2.500 0.800 0.800 peak 263 spectrum 1 weight 0.11000E+01 volume 0.41867E-02 ppm1 4.565 ppm2 0.983 CV 1 ASSI { 266} (( segid " " and resid 13 and name HB )) (( segid " " and resid 13 and name HA )) 2.800 1.000 1.000 peak 266 spectrum 1 weight 0.11000E+01 volume 0.21528E-02 ppm1 1.747 ppm2 4.565 CV 1 ASSI { 268} (( segid " " and resid 13 and name HB )) ( segid " " and resid 13 and name HG1%) 2.300 0.700 0.700 peak 268 spectrum 1 weight 0.11000E+01 volume 0.60799E-02 ppm1 1.747 ppm2 0.983 CV 1 ASSI { 276} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HA )) 2.600 0.800 0.800 peak 276 spectrum 1 weight 0.11000E+01 volume 0.32838E-02 ppm1 0.632 ppm2 4.565 CV 1 ASSI { 277} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HB )) 2.300 0.600 0.600 peak 277 spectrum 1 weight 0.11000E+01 volume 0.70819E-02 ppm1 0.632 ppm2 1.747 CV 1 ASSI { 278} ( segid " " and resid 13 and name HG2%) ( segid " " and resid 13 and name HG1%) 2.100 0.500 0.500 peak 278 spectrum 1 weight 0.11000E+01 volume 0.13132E-01 ppm1 0.632 ppm2 0.983 CV 1 ASSI { 282} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.700 0.900 0.900 peak 282 spectrum 1 weight 0.11000E+01 volume 0.26067E-02 ppm1 4.611 ppm2 2.366 CV 1 ASSI { 283} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB3 )) 2.600 0.900 0.900 peak 283 spectrum 1 weight 0.11000E+01 volume 0.31285E-02 ppm1 4.611 ppm2 2.158 CV 1 ASSI { 284} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG2 )) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.11000E+01 volume 0.26330E-02 ppm1 4.611 ppm2 2.383 CV 1 ASSI { 285} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG3 )) 2.700 0.900 0.900 peak 285 spectrum 1 weight 0.11000E+01 volume 0.27554E-02 ppm1 4.611 ppm2 2.214 CV 1 ASSI { 289} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HB3 )) 2.100 0.600 0.600 peak 289 spectrum 1 weight 0.11000E+01 volume 0.10028E-01 ppm1 2.366 ppm2 2.158 CV 1 ASSI { 290} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HG2 )) 2.000 2.000 4.000 peak 290 spectrum 1 weight 0.11000E+01 volume 0.13431E-01 ppm1 2.366 ppm2 2.383 CV 1 ASSI { 296} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 14 and name HG2 )) 2.200 0.600 0.600 peak 296 spectrum 1 weight 0.11000E+01 volume 0.89418E-02 ppm1 2.158 ppm2 2.383 CV 1 ASSI { 303} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HG3 )) 2.000 0.500 0.500 peak 303 spectrum 1 weight 0.11000E+01 volume 0.14968E-01 ppm1 2.383 ppm2 2.214 CV 1 ASSI { 304} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 14 and name HN )) 3.300 1.300 1.300 peak 304 spectrum 1 weight 0.11000E+01 volume 0.81838E-03 ppm1 2.214 ppm2 8.758 CV 1 ASSI { 306} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 14 and name HB2 )) 2.000 0.500 0.500 peak 306 spectrum 1 weight 0.11000E+01 volume 0.15610E-01 ppm1 2.214 ppm2 2.366 CV 1 ASSI { 307} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 14 and name HB3 )) 1.900 0.400 0.400 peak 307 spectrum 1 weight 0.11000E+01 volume 0.22548E-01 ppm1 2.214 ppm2 2.158 CV 1 ASSI { 312} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB2 )) 2.200 0.600 0.600 peak 312 spectrum 1 weight 0.11000E+01 volume 0.80818E-02 ppm1 4.482 ppm2 4.039 CV 1 ASSI { 320} (( segid " " and resid 16 and name HA2 )) (( segid " " and resid 16 and name HA1 )) 1.900 0.400 0.400 peak 320 spectrum 1 weight 0.11000E+01 volume 0.22446E-01 ppm1 3.985 ppm2 4.311 CV 1 ASSI { 325} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB3 )) 2.700 0.900 0.900 peak 325 spectrum 1 weight 0.11000E+01 volume 0.26592E-02 ppm1 4.611 ppm2 2.627 CV 1 ASSI { 327} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HA )) 2.700 0.900 0.900 peak 327 spectrum 1 weight 0.11000E+01 volume 0.23779E-02 ppm1 2.816 ppm2 4.611 CV 1 ASSI { 332} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HB2 )) 1.800 0.400 0.400 peak 332 spectrum 1 weight 0.11000E+01 volume 0.29004E-01 ppm1 2.627 ppm2 2.816 CV 1 ASSI { 334} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.600 0.900 0.900 peak 334 spectrum 1 weight 0.11000E+01 volume 0.29231E-02 ppm1 4.187 ppm2 8.601 CV 1 ASSI { 337} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB3 )) 2.600 0.800 0.800 peak 337 spectrum 1 weight 0.11000E+01 volume 0.31570E-02 ppm1 4.187 ppm2 2.011 CV 1 ASSI { 338} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HG2 )) 2.700 0.900 0.900 peak 338 spectrum 1 weight 0.11000E+01 volume 0.26497E-02 ppm1 4.187 ppm2 2.355 CV 1 ASSI { 340} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HA )) 2.400 0.700 0.700 peak 340 spectrum 1 weight 0.11000E+01 volume 0.45904E-02 ppm1 2.129 ppm2 4.187 CV 1 ASSI { 343} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HG2 )) 2.100 0.600 0.600 peak 343 spectrum 1 weight 0.11000E+01 volume 0.10589E-01 ppm1 2.129 ppm2 2.355 CV 1 ASSI { 346} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 18 and name HB2 )) 1.800 0.400 0.400 peak 346 spectrum 1 weight 0.11000E+01 volume 0.28669E-01 ppm1 2.011 ppm2 2.129 CV 1 ASSI { 348} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 18 and name HG2 )) 2.300 0.600 0.600 peak 348 spectrum 1 weight 0.11000E+01 volume 0.75790E-02 ppm1 2.011 ppm2 2.355 CV 1 ASSI { 356} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HB% ) 2.200 0.600 0.600 peak 356 spectrum 1 weight 0.11000E+01 volume 0.89126E-02 ppm1 4.251 ppm2 1.413 CV 1 ASSI { 362} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.600 0.800 0.800 peak 362 spectrum 1 weight 0.11000E+01 volume 0.33865E-02 ppm1 4.236 ppm2 1.754 CV 1 ASSI { 363} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB3 )) 2.400 0.700 0.700 peak 363 spectrum 1 weight 0.11000E+01 volume 0.54780E-02 ppm1 4.236 ppm2 1.679 CV 1 ASSI { 366} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HD2 )) 2.800 1.000 1.000 peak 366 spectrum 1 weight 0.11000E+01 volume 0.21694E-02 ppm1 4.236 ppm2 1.364 CV 1 ASSI { 367} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HD3 )) 2.800 1.000 1.000 peak 367 spectrum 1 weight 0.11000E+01 volume 0.19720E-02 ppm1 4.236 ppm2 1.249 CV 1 ASSI { 369} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HE3 )) 5.200 3.300 0.800 peak 369 spectrum 1 weight 0.11000E+01 volume 0.52761E-04 ppm1 4.236 ppm2 3.002 CV 1 ASSI { 373} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HB3 )) 1.800 0.400 0.400 peak 373 spectrum 1 weight 0.11000E+01 volume 0.32597E-01 ppm1 1.754 ppm2 1.679 CV 1 ASSI { 374} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG2 )) 1.600 1.600 4.400 peak 374 spectrum 1 weight 0.11000E+01 volume 0.49759E-01 ppm1 1.754 ppm2 1.712 CV 1 ASSI { 375} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG3 )) 2.100 0.500 0.500 peak 375 spectrum 1 weight 0.11000E+01 volume 0.12068E-01 ppm1 1.754 ppm2 1.619 CV 1 ASSI { 380} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HN )) 2.800 1.000 1.000 peak 380 spectrum 1 weight 0.11000E+01 volume 0.18641E-02 ppm1 1.679 ppm2 7.993 CV 1 ASSI { 384} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HG2 )) 1.700 1.700 4.300 peak 384 spectrum 1 weight 0.11000E+01 volume 0.42661E-01 ppm1 1.679 ppm2 1.712 CV 1 ASSI { 391} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HA )) 3.200 1.200 1.200 peak 391 spectrum 1 weight 0.11000E+01 volume 0.10079E-02 ppm1 1.712 ppm2 4.236 CV 1 ASSI { 395} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HG3 )) 1.900 0.400 0.400 peak 395 spectrum 1 weight 0.11000E+01 volume 0.22336E-01 ppm1 1.712 ppm2 1.619 CV 1 ASSI { 396} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HD2 )) 2.600 0.800 0.800 peak 396 spectrum 1 weight 0.11000E+01 volume 0.31337E-02 ppm1 1.712 ppm2 1.364 CV 1 ASSI { 399} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HE3 )) 2.500 0.800 0.800 peak 399 spectrum 1 weight 0.11000E+01 volume 0.40139E-02 ppm1 1.712 ppm2 3.002 CV 1 ASSI { 401} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HA )) 3.600 1.600 1.600 peak 401 spectrum 1 weight 0.11000E+01 volume 0.45845E-03 ppm1 1.619 ppm2 4.236 CV 1 ASSI { 403} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HB3 )) 2.100 0.500 0.500 peak 403 spectrum 1 weight 0.11000E+01 volume 0.13249E-01 ppm1 1.619 ppm2 1.679 CV 1 ASSI { 409} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HE3 )) 3.600 1.600 1.600 peak 409 spectrum 1 weight 0.11000E+01 volume 0.45729E-03 ppm1 1.619 ppm2 3.002 CV 1 ASSI { 412} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HB2 )) 2.800 1.000 1.000 peak 412 spectrum 1 weight 0.11000E+01 volume 0.22088E-02 ppm1 1.364 ppm2 1.754 CV 1 ASSI { 413} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HB3 )) 2.500 0.800 0.800 peak 413 spectrum 1 weight 0.11000E+01 volume 0.39112E-02 ppm1 1.364 ppm2 1.679 CV 1 ASSI { 415} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HG3 )) 2.900 1.100 1.100 peak 415 spectrum 1 weight 0.11000E+01 volume 0.15763E-02 ppm1 1.364 ppm2 1.619 CV 1 ASSI { 417} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HD3 )) 2.100 0.500 0.500 peak 417 spectrum 1 weight 0.11000E+01 volume 0.12382E-01 ppm1 1.364 ppm2 1.249 CV 1 ASSI { 422} (( segid " " and resid 20 and name HD3 )) (( segid " " and resid 20 and name HB2 )) 2.800 0.900 0.900 peak 422 spectrum 1 weight 0.11000E+01 volume 0.22591E-02 ppm1 1.249 ppm2 1.754 CV 1 ASSI { 423} (( segid " " and resid 20 and name HD3 )) (( segid " " and resid 20 and name HB3 )) 2.500 0.800 0.800 peak 423 spectrum 1 weight 0.11000E+01 volume 0.40278E-02 ppm1 1.249 ppm2 1.679 CV 1 ASSI { 424} (( segid " " and resid 20 and name HD3 )) (( segid " " and resid 20 and name HG2 )) 2.500 0.800 0.800 peak 424 spectrum 1 weight 0.11000E+01 volume 0.41334E-02 ppm1 1.249 ppm2 1.712 CV 1 ASSI { 425} (( segid " " and resid 20 and name HD3 )) (( segid " " and resid 20 and name HG3 )) 3.000 1.100 1.100 peak 425 spectrum 1 weight 0.11000E+01 volume 0.14371E-02 ppm1 1.249 ppm2 1.619 CV 1 ASSI { 430} (( segid " " and resid 20 and name HE2 )) (( segid " " and resid 20 and name HN )) 4.400 2.400 1.600 peak 430 spectrum 1 weight 0.11000E+01 volume 0.13351E-03 ppm1 2.996 ppm2 7.993 CV 1 ASSI { 431} (( segid " " and resid 20 and name HE2 )) (( segid " " and resid 20 and name HA )) 4.000 2.000 2.000 peak 431 spectrum 1 weight 0.11000E+01 volume 0.24085E-03 ppm1 2.996 ppm2 4.236 CV 1 ASSI { 432} (( segid " " and resid 20 and name HE2 )) (( segid " " and resid 20 and name HB2 )) 2.400 2.400 3.600 peak 432 spectrum 1 weight 0.11000E+01 volume 0.46436E-02 ppm1 2.996 ppm2 1.754 CV 1 ASSI { 433} (( segid " " and resid 20 and name HE2 )) (( segid " " and resid 20 and name HB3 )) 2.400 2.400 3.600 peak 433 spectrum 1 weight 0.11000E+01 volume 0.48352E-02 ppm1 2.996 ppm2 1.679 CV 1 ASSI { 434} (( segid " " and resid 20 and name HE2 )) (( segid " " and resid 20 and name HG2 )) 2.300 0.700 0.700 peak 434 spectrum 1 weight 0.11000E+01 volume 0.65952E-02 ppm1 2.996 ppm2 1.712 CV 1 ASSI { 435} (( segid " " and resid 20 and name HE2 )) (( segid " " and resid 20 and name HG3 )) 3.000 1.100 1.100 peak 435 spectrum 1 weight 0.11000E+01 volume 0.13642E-02 ppm1 2.996 ppm2 1.619 CV 1 ASSI { 436} (( segid " " and resid 20 and name HE2 )) (( segid " " and resid 20 and name HD2 )) 3.000 1.200 1.200 peak 436 spectrum 1 weight 0.11000E+01 volume 0.12287E-02 ppm1 2.996 ppm2 1.364 CV 1 ASSI { 437} (( segid " " and resid 20 and name HE2 )) (( segid " " and resid 20 and name HD3 )) 3.100 1.200 1.200 peak 437 spectrum 1 weight 0.11000E+01 volume 0.10684E-02 ppm1 2.996 ppm2 1.249 CV 1 ASSI { 452} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB2 )) 2.500 0.800 0.800 peak 452 spectrum 1 weight 0.11000E+01 volume 0.42326E-02 ppm1 5.414 ppm2 1.659 CV 1 ASSI { 453} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG2 )) 3.000 1.100 1.100 peak 453 spectrum 1 weight 0.11000E+01 volume 0.14145E-02 ppm1 5.414 ppm2 1.506 CV 1 ASSI { 454} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HD2 )) 3.400 1.500 1.500 peak 454 spectrum 1 weight 0.11000E+01 volume 0.61019E-03 ppm1 5.414 ppm2 2.888 CV 1 ASSI { 459} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HG2 )) 2.300 0.700 0.700 peak 459 spectrum 1 weight 0.11000E+01 volume 0.59765E-02 ppm1 1.659 ppm2 1.506 CV 1 ASSI { 461} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HD3 )) 3.000 1.200 1.200 peak 461 spectrum 1 weight 0.11000E+01 volume 0.12302E-02 ppm1 1.659 ppm2 2.765 CV 1 ASSI { 470} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HB2 )) 2.600 0.800 0.800 peak 470 spectrum 1 weight 0.11000E+01 volume 0.33493E-02 ppm1 2.888 ppm2 1.659 CV 1 ASSI { 471} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HG2 )) 2.900 1.100 1.100 peak 471 spectrum 1 weight 0.11000E+01 volume 0.15362E-02 ppm1 2.888 ppm2 1.506 CV 1 ASSI { 473} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HD3 )) 1.900 0.400 0.400 peak 473 spectrum 1 weight 0.11000E+01 volume 0.22868E-01 ppm1 2.888 ppm2 2.765 CV 1 ASSI { 475} (( segid " " and resid 21 and name HD3 )) (( segid " " and resid 21 and name HA )) 3.700 1.700 1.700 peak 475 spectrum 1 weight 0.11000E+01 volume 0.41102E-03 ppm1 2.765 ppm2 5.414 CV 1 ASSI { 477} (( segid " " and resid 21 and name HD3 )) (( segid " " and resid 21 and name HG2 )) 2.900 1.100 1.100 peak 477 spectrum 1 weight 0.11000E+01 volume 0.15997E-02 ppm1 2.765 ppm2 1.506 CV 1 ASSI { 482} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.500 0.800 0.800 peak 482 spectrum 1 weight 0.11000E+01 volume 0.37983E-02 ppm1 4.953 ppm2 2.951 CV 1 ASSI { 488} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB2 )) 2.900 1.100 1.100 peak 488 spectrum 1 weight 0.11000E+01 volume 0.15923E-02 ppm1 4.486 ppm2 1.777 CV 1 ASSI { 489} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB3 )) 2.700 0.900 0.900 peak 489 spectrum 1 weight 0.11000E+01 volume 0.26162E-02 ppm1 4.486 ppm2 1.523 CV 1 ASSI { 490} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HG )) 3.100 1.200 1.200 peak 490 spectrum 1 weight 0.11000E+01 volume 0.11609E-02 ppm1 4.486 ppm2 1.265 CV 1 ASSI { 496} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HB3 )) 2.100 0.600 0.600 peak 496 spectrum 1 weight 0.11000E+01 volume 0.10786E-01 ppm1 1.777 ppm2 1.523 CV 1 ASSI { 497} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HG )) 2.700 0.900 0.900 peak 497 spectrum 1 weight 0.11000E+01 volume 0.24209E-02 ppm1 1.777 ppm2 1.265 CV 1 ASSI { 510} (( segid " " and resid 23 and name HG )) (( segid " " and resid 23 and name HB3 )) 2.000 0.500 0.500 peak 510 spectrum 1 weight 0.11000E+01 volume 0.15494E-01 ppm1 1.265 ppm2 1.523 CV 1 ASSI { 512} (( segid " " and resid 23 and name HG )) ( segid " " and resid 23 and name HD1%) 2.600 0.800 0.800 peak 512 spectrum 1 weight 0.11000E+01 volume 0.34237E-02 ppm1 1.265 ppm2 0.819 CV 1 ASSI { 515} ( segid " " and resid 23 and name HD1%) (( segid " " and resid 23 and name HA )) 3.100 1.200 1.200 peak 515 spectrum 1 weight 0.11000E+01 volume 0.11624E-02 ppm1 0.819 ppm2 4.486 CV 1 ASSI { 516} ( segid " " and resid 23 and name HD1%) (( segid " " and resid 23 and name HB2 )) 2.200 0.600 0.600 peak 516 spectrum 1 weight 0.11000E+01 volume 0.79288E-02 ppm1 0.819 ppm2 1.777 CV 1 ASSI { 517} ( segid " " and resid 23 and name HD1%) (( segid " " and resid 23 and name HB3 )) 2.200 0.600 0.600 peak 517 spectrum 1 weight 0.11000E+01 volume 0.77976E-02 ppm1 0.819 ppm2 1.523 CV 1 ASSI { 520} ( segid " " and resid 23 and name HD1%) ( segid " " and resid 23 and name HD2%) 2.200 0.600 0.600 peak 520 spectrum 1 weight 0.11000E+01 volume 0.90365E-02 ppm1 0.819 ppm2 0.587 CV 1 ASSI { 522} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 23 and name HA )) 2.400 0.700 0.700 peak 522 spectrum 1 weight 0.11000E+01 volume 0.45838E-02 ppm1 0.587 ppm2 4.486 CV 1 ASSI { 523} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 23 and name HB2 )) 2.600 0.800 0.800 peak 523 spectrum 1 weight 0.11000E+01 volume 0.32554E-02 ppm1 0.587 ppm2 1.777 CV 1 ASSI { 524} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 23 and name HB3 )) 2.600 0.800 0.800 peak 524 spectrum 1 weight 0.11000E+01 volume 0.33676E-02 ppm1 0.587 ppm2 1.523 CV 1 ASSI { 525} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 23 and name HG )) 2.500 0.800 0.800 peak 525 spectrum 1 weight 0.11000E+01 volume 0.44913E-02 ppm1 0.587 ppm2 1.265 CV 1 ASSI { 528} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.600 0.800 0.800 peak 528 spectrum 1 weight 0.11000E+01 volume 0.31942E-02 ppm1 4.671 ppm2 9.127 CV 1 ASSI { 530} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB2 )) 2.600 0.900 0.900 peak 530 spectrum 1 weight 0.11000E+01 volume 0.30024E-02 ppm1 4.671 ppm2 1.459 CV 1 ASSI { 532} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HG )) 2.600 0.800 0.800 peak 532 spectrum 1 weight 0.11000E+01 volume 0.35505E-02 ppm1 4.671 ppm2 1.607 CV 1 ASSI { 533} (( segid " " and resid 24 and name HA )) ( segid " " and resid 24 and name HD1%) 2.400 0.700 0.700 peak 533 spectrum 1 weight 0.11000E+01 volume 0.54912E-02 ppm1 4.671 ppm2 0.731 CV 1 ASSI { 537} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HB3 )) 2.000 0.500 0.500 peak 537 spectrum 1 weight 0.11000E+01 volume 0.16280E-01 ppm1 1.459 ppm2 1.365 CV 1 ASSI { 539} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 24 and name HD1%) 2.300 2.300 3.700 peak 539 spectrum 1 weight 0.11000E+01 volume 0.58548E-02 ppm1 1.459 ppm2 0.731 CV 1 ASSI { 541} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 24 and name HA )) 2.600 0.800 0.800 peak 541 spectrum 1 weight 0.11000E+01 volume 0.31664E-02 ppm1 1.365 ppm2 4.671 CV 1 ASSI { 544} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 24 and name HG )) 2.600 0.800 0.800 peak 544 spectrum 1 weight 0.11000E+01 volume 0.34710E-02 ppm1 1.365 ppm2 1.607 CV 1 ASSI { 545} (( segid " " and resid 24 and name HB3 )) ( segid " " and resid 24 and name HD1%) 2.200 0.600 0.600 peak 545 spectrum 1 weight 0.11000E+01 volume 0.83223E-02 ppm1 1.365 ppm2 0.731 CV 1 ASSI { 548} (( segid " " and resid 24 and name HG )) (( segid " " and resid 24 and name HB2 )) 2.100 0.500 0.500 peak 548 spectrum 1 weight 0.11000E+01 volume 0.12177E-01 ppm1 1.607 ppm2 1.459 CV 1 ASSI { 551} (( segid " " and resid 24 and name HG )) ( segid " " and resid 24 and name HD1%) 2.300 0.600 0.600 peak 551 spectrum 1 weight 0.11000E+01 volume 0.74843E-02 ppm1 1.607 ppm2 0.731 CV 1 ASSI { 565} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HA )) 3.100 1.200 1.200 peak 565 spectrum 1 weight 0.11000E+01 volume 0.11726E-02 ppm1 1.896 ppm2 4.790 CV 1 ASSI { 568} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HG2 )) 2.600 0.800 0.800 peak 568 spectrum 1 weight 0.11000E+01 volume 0.31431E-02 ppm1 1.896 ppm2 2.211 CV 1 ASSI { 571} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HA )) 2.900 1.100 1.100 peak 571 spectrum 1 weight 0.11000E+01 volume 0.15902E-02 ppm1 1.772 ppm2 4.790 CV 1 ASSI { 572} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HB2 )) 2.000 0.500 0.500 peak 572 spectrum 1 weight 0.11000E+01 volume 0.16666E-01 ppm1 1.772 ppm2 1.896 CV 1 ASSI { 574} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HG2 )) 2.700 0.900 0.900 peak 574 spectrum 1 weight 0.11000E+01 volume 0.23648E-02 ppm1 1.772 ppm2 2.211 CV 1 ASSI { 575} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HG3 )) 2.600 0.900 0.900 peak 575 spectrum 1 weight 0.11000E+01 volume 0.28451E-02 ppm1 1.772 ppm2 2.150 CV 1 ASSI { 577} (( segid " " and resid 25 and name HG2 )) (( segid " " and resid 25 and name HA )) 3.300 1.400 1.400 peak 577 spectrum 1 weight 0.11000E+01 volume 0.75207E-03 ppm1 2.211 ppm2 4.790 CV 1 ASSI { 583} (( segid " " and resid 25 and name HG3 )) (( segid " " and resid 25 and name HA )) 3.200 1.300 1.300 peak 583 spectrum 1 weight 0.11000E+01 volume 0.93644E-03 ppm1 2.150 ppm2 4.790 CV 1 ASSI { 584} (( segid " " and resid 25 and name HG3 )) (( segid " " and resid 25 and name HB2 )) 2.300 0.600 0.600 peak 584 spectrum 1 weight 0.11000E+01 volume 0.72875E-02 ppm1 2.150 ppm2 1.896 CV 1 ASSI { 586} (( segid " " and resid 25 and name HG3 )) (( segid " " and resid 25 and name HG2 )) 1.600 0.300 0.600 peak 586 spectrum 1 weight 0.11000E+01 volume 0.54255E-01 ppm1 2.150 ppm2 2.211 CV 1 ASSI { 588} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HN )) 2.300 0.700 0.700 peak 588 spectrum 1 weight 0.11000E+01 volume 0.59298E-02 ppm1 4.387 ppm2 8.592 CV 1 ASSI { 590} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB )) 2.700 0.900 0.900 peak 590 spectrum 1 weight 0.11000E+01 volume 0.23947E-02 ppm1 4.387 ppm2 1.991 CV 1 ASSI { 597} (( segid " " and resid 26 and name HB )) ( segid " " and resid 26 and name HG2%) 2.400 0.700 0.700 peak 597 spectrum 1 weight 0.11000E+01 volume 0.47558E-02 ppm1 1.991 ppm2 0.792 CV 1 ASSI { 599} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 26 and name HA )) 2.600 0.900 0.900 peak 599 spectrum 1 weight 0.11000E+01 volume 0.30396E-02 ppm1 0.890 ppm2 4.387 CV 1 ASSI { 600} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 26 and name HB )) 2.400 0.700 0.700 peak 600 spectrum 1 weight 0.11000E+01 volume 0.50145E-02 ppm1 0.890 ppm2 1.991 CV 1 ASSI { 602} ( segid " " and resid 26 and name HG1%) ( segid " " and resid 26 and name HG2%) 1.900 0.500 0.500 peak 602 spectrum 1 weight 0.11000E+01 volume 0.19101E-01 ppm1 0.890 ppm2 0.792 CV 1 ASSI { 604} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 26 and name HA )) 2.600 0.800 0.800 peak 604 spectrum 1 weight 0.11000E+01 volume 0.32182E-02 ppm1 0.792 ppm2 4.387 CV 1 ASSI { 610} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB2 )) 2.600 0.900 0.900 peak 610 spectrum 1 weight 0.11000E+01 volume 0.29084E-02 ppm1 4.962 ppm2 2.050 CV 1 ASSI { 611} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB3 )) 2.500 0.800 0.800 peak 611 spectrum 1 weight 0.11000E+01 volume 0.39534E-02 ppm1 4.962 ppm2 1.737 CV 1 ASSI { 612} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HG2 )) 2.800 1.000 1.000 peak 612 spectrum 1 weight 0.11000E+01 volume 0.20114E-02 ppm1 4.962 ppm2 1.498 CV 1 ASSI { 613} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HD2 )) 3.900 1.900 1.900 peak 613 spectrum 1 weight 0.11000E+01 volume 0.26949E-03 ppm1 4.962 ppm2 3.225 CV 1 ASSI { 614} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HD3 )) 3.500 1.600 1.600 peak 614 spectrum 1 weight 0.11000E+01 volume 0.50466E-03 ppm1 4.962 ppm2 3.109 CV 1 ASSI { 615} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HN )) 2.800 1.000 1.000 peak 615 spectrum 1 weight 0.11000E+01 volume 0.18802E-02 ppm1 2.050 ppm2 8.584 CV 1 ASSI { 618} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HB3 )) 2.000 0.500 0.500 peak 618 spectrum 1 weight 0.11000E+01 volume 0.17490E-01 ppm1 2.050 ppm2 1.737 CV 1 ASSI { 631} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 27 and name HB2 )) 2.700 0.900 0.900 peak 631 spectrum 1 weight 0.11000E+01 volume 0.24078E-02 ppm1 1.498 ppm2 2.050 CV 1 ASSI { 632} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 27 and name HB3 )) 2.100 0.500 0.500 peak 632 spectrum 1 weight 0.11000E+01 volume 0.11806E-01 ppm1 1.498 ppm2 1.737 CV 1 ASSI { 638} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HB2 )) 2.900 1.100 1.100 peak 638 spectrum 1 weight 0.11000E+01 volume 0.15383E-02 ppm1 3.225 ppm2 2.050 CV 1 ASSI { 639} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HB3 )) 2.400 0.700 0.700 peak 639 spectrum 1 weight 0.11000E+01 volume 0.50939E-02 ppm1 3.225 ppm2 1.737 CV 1 ASSI { 640} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HG2 )) 2.800 1.000 1.000 peak 640 spectrum 1 weight 0.11000E+01 volume 0.21826E-02 ppm1 3.225 ppm2 1.498 CV 1 ASSI { 642} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HD3 )) 1.900 0.400 0.400 peak 642 spectrum 1 weight 0.11000E+01 volume 0.22948E-01 ppm1 3.225 ppm2 3.109 CV 1 ASSI { 645} (( segid " " and resid 27 and name HD3 )) (( segid " " and resid 27 and name HB2 )) 3.000 1.100 1.100 peak 645 spectrum 1 weight 0.11000E+01 volume 0.13694E-02 ppm1 3.109 ppm2 2.050 CV 1 ASSI { 646} (( segid " " and resid 27 and name HD3 )) (( segid " " and resid 27 and name HB3 )) 2.600 0.900 0.900 peak 646 spectrum 1 weight 0.11000E+01 volume 0.30163E-02 ppm1 3.109 ppm2 1.737 CV 1 ASSI { 647} (( segid " " and resid 27 and name HD3 )) (( segid " " and resid 27 and name HG2 )) 2.800 1.000 1.000 peak 647 spectrum 1 weight 0.11000E+01 volume 0.18758E-02 ppm1 3.109 ppm2 1.498 CV 1 ASSI { 650} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HN )) 2.900 1.100 1.100 peak 650 spectrum 1 weight 0.11000E+01 volume 0.15435E-02 ppm1 3.820 ppm2 9.295 CV 1 ASSI { 652} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB2 )) 2.400 0.700 0.700 peak 652 spectrum 1 weight 0.11000E+01 volume 0.57630E-02 ppm1 3.820 ppm2 1.948 CV 1 ASSI { 654} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG3 )) 2.700 0.900 0.900 peak 654 spectrum 1 weight 0.11000E+01 volume 0.22818E-02 ppm1 3.820 ppm2 1.633 CV 1 ASSI { 663} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HA )) 3.100 1.200 1.200 peak 663 spectrum 1 weight 0.11000E+01 volume 0.11624E-02 ppm1 1.825 ppm2 3.820 CV 1 ASSI { 664} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HB2 )) 2.000 0.500 0.500 peak 664 spectrum 1 weight 0.11000E+01 volume 0.13379E-01 ppm1 1.825 ppm2 1.948 CV 1 ASSI { 666} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HG3 )) 2.100 0.600 0.600 peak 666 spectrum 1 weight 0.11000E+01 volume 0.10334E-01 ppm1 1.825 ppm2 1.633 CV 1 ASSI { 670} (( segid " " and resid 28 and name HG3 )) (( segid " " and resid 28 and name HB2 )) 2.400 0.700 0.700 peak 670 spectrum 1 weight 0.11000E+01 volume 0.51005E-02 ppm1 1.633 ppm2 1.948 CV 1 ASSI { 675} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 28 and name HA )) 3.200 1.300 1.300 peak 675 spectrum 1 weight 0.11000E+01 volume 0.95539E-03 ppm1 3.344 ppm2 3.820 CV 1 ASSI { 676} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 28 and name HB2 )) 2.400 0.700 0.700 peak 676 spectrum 1 weight 0.11000E+01 volume 0.50080E-02 ppm1 3.344 ppm2 1.948 CV 1 ASSI { 677} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 28 and name HG2 )) 2.500 0.800 0.800 peak 677 spectrum 1 weight 0.11000E+01 volume 0.40044E-02 ppm1 3.344 ppm2 1.825 CV 1 ASSI { 678} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 28 and name HG3 )) 2.500 0.800 0.800 peak 678 spectrum 1 weight 0.11000E+01 volume 0.40373E-02 ppm1 3.344 ppm2 1.633 CV 1 ASSI { 680} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HN )) 2.800 1.000 1.000 peak 680 spectrum 1 weight 0.11000E+01 volume 0.19458E-02 ppm1 4.459 ppm2 7.859 CV 1 ASSI { 682} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) 2.400 0.700 0.700 peak 682 spectrum 1 weight 0.11000E+01 volume 0.49147E-02 ppm1 4.459 ppm2 4.194 CV 1 ASSI { 683} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB3 )) 2.300 0.700 0.700 peak 683 spectrum 1 weight 0.11000E+01 volume 0.61922E-02 ppm1 4.459 ppm2 3.840 CV 1 ASSI { 687} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HB3 )) 2.000 0.500 0.500 peak 687 spectrum 1 weight 0.11000E+01 volume 0.14072E-01 ppm1 4.194 ppm2 3.840 CV 1 ASSI { 697} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 697 spectrum 1 weight 0.11000E+01 volume 0.20143E-02 ppm1 3.996 ppm2 4.658 CV 1 ASSI { 699} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HB3 )) 2.000 0.500 0.500 peak 699 spectrum 1 weight 0.11000E+01 volume 0.17570E-01 ppm1 3.996 ppm2 3.908 CV 1 ASSI { 700} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 30 and name HN )) 2.900 1.000 1.000 peak 700 spectrum 1 weight 0.11000E+01 volume 0.17825E-02 ppm1 3.908 ppm2 7.833 CV 1 ASSI { 701} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 701 spectrum 1 weight 0.11000E+01 volume 0.14408E-02 ppm1 3.908 ppm2 4.658 CV 1 ASSI { 704} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 3.000 1.200 1.200 peak 704 spectrum 1 weight 0.11000E+01 volume 0.12302E-02 ppm1 5.184 ppm2 9.297 CV 1 ASSI { 706} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.400 0.700 0.700 peak 706 spectrum 1 weight 0.11000E+01 volume 0.49547E-02 ppm1 5.184 ppm2 4.659 CV 1 ASSI { 707} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB3 )) 2.600 0.800 0.800 peak 707 spectrum 1 weight 0.11000E+01 volume 0.32320E-02 ppm1 5.184 ppm2 4.119 CV 1 ASSI { 711} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HB3 )) 2.100 0.600 0.600 peak 711 spectrum 1 weight 0.11000E+01 volume 0.10611E-01 ppm1 4.659 ppm2 4.119 CV 1 ASSI { 718} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB )) 2.800 0.900 0.900 peak 718 spectrum 1 weight 0.11000E+01 volume 0.22686E-02 ppm1 3.593 ppm2 2.197 CV 1 ASSI { 719} (( segid " " and resid 32 and name HA )) ( segid " " and resid 32 and name HG1%) 2.400 0.700 0.700 peak 719 spectrum 1 weight 0.11000E+01 volume 0.47296E-02 ppm1 3.593 ppm2 1.090 CV 1 ASSI { 720} (( segid " " and resid 32 and name HA )) ( segid " " and resid 32 and name HG2%) 2.500 0.800 0.800 peak 720 spectrum 1 weight 0.11000E+01 volume 0.40096E-02 ppm1 3.593 ppm2 0.769 CV 1 ASSI { 725} (( segid " " and resid 32 and name HB )) ( segid " " and resid 32 and name HG2%) 2.400 0.700 0.700 peak 725 spectrum 1 weight 0.11000E+01 volume 0.49016E-02 ppm1 2.197 ppm2 0.769 CV 1 ASSI { 728} ( segid " " and resid 32 and name HG1%) (( segid " " and resid 32 and name HB )) 2.300 0.700 0.700 peak 728 spectrum 1 weight 0.11000E+01 volume 0.63794E-02 ppm1 1.090 ppm2 2.197 CV 1 ASSI { 730} ( segid " " and resid 32 and name HG1%) ( segid " " and resid 32 and name HG2%) 2.200 0.600 0.600 peak 730 spectrum 1 weight 0.11000E+01 volume 0.86648E-02 ppm1 1.090 ppm2 0.769 CV 1 ASSI { 731} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 32 and name HN )) 2.800 1.000 1.000 peak 731 spectrum 1 weight 0.11000E+01 volume 0.21928E-02 ppm1 0.769 ppm2 8.622 CV 1 ASSI { 736} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 2.800 1.000 1.000 peak 736 spectrum 1 weight 0.11000E+01 volume 0.18969E-02 ppm1 4.098 ppm2 8.581 CV 1 ASSI { 738} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HB% ) 2.200 0.600 0.600 peak 738 spectrum 1 weight 0.11000E+01 volume 0.90729E-02 ppm1 4.098 ppm2 1.538 CV 1 ASSI { 745} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB3 )) 2.500 0.800 0.800 peak 745 spectrum 1 weight 0.11000E+01 volume 0.38733E-02 ppm1 4.136 ppm2 2.111 CV 1 ASSI { 748} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) 2.900 1.100 1.100 peak 748 spectrum 1 weight 0.11000E+01 volume 0.15501E-02 ppm1 2.589 ppm2 4.136 CV 1 ASSI { 751} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HG2 )) 2.000 0.500 0.500 peak 751 spectrum 1 weight 0.11000E+01 volume 0.13286E-01 ppm1 2.589 ppm2 2.563 CV 1 ASSI { 754} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HB2 )) 2.100 0.600 0.600 peak 754 spectrum 1 weight 0.11000E+01 volume 0.10370E-01 ppm1 2.111 ppm2 2.589 CV 1 ASSI { 758} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HA )) 2.500 0.800 0.800 peak 758 spectrum 1 weight 0.11000E+01 volume 0.42792E-02 ppm1 2.563 ppm2 4.136 CV 1 ASSI { 760} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB3 )) 2.400 0.700 0.700 peak 760 spectrum 1 weight 0.11000E+01 volume 0.57630E-02 ppm1 2.563 ppm2 2.111 CV 1 ASSI { 764} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB )) 2.800 1.000 1.000 peak 764 spectrum 1 weight 0.11000E+01 volume 0.20434E-02 ppm1 3.896 ppm2 2.261 CV 1 ASSI { 766} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HG2%) 2.500 0.800 0.800 peak 766 spectrum 1 weight 0.11000E+01 volume 0.43848E-02 ppm1 3.896 ppm2 0.818 CV 1 ASSI { 772} ( segid " " and resid 35 and name HG1%) (( segid " " and resid 35 and name HN )) 2.400 0.700 0.700 peak 772 spectrum 1 weight 0.11000E+01 volume 0.47762E-02 ppm1 1.179 ppm2 8.013 CV 1 ASSI { 773} ( segid " " and resid 35 and name HG1%) (( segid " " and resid 35 and name HA )) 2.300 0.600 0.600 peak 773 spectrum 1 weight 0.11000E+01 volume 0.71855E-02 ppm1 1.179 ppm2 3.896 CV 1 ASSI { 774} ( segid " " and resid 35 and name HG1%) (( segid " " and resid 35 and name HB )) 2.200 0.600 0.600 peak 774 spectrum 1 weight 0.11000E+01 volume 0.79507E-02 ppm1 1.179 ppm2 2.261 CV 1 ASSI { 776} ( segid " " and resid 35 and name HG1%) ( segid " " and resid 35 and name HG2%) 2.000 0.500 0.500 peak 776 spectrum 1 weight 0.11000E+01 volume 0.13824E-01 ppm1 1.179 ppm2 0.818 CV 1 ASSI { 777} ( segid " " and resid 35 and name HG2%) (( segid " " and resid 35 and name HN )) 3.100 1.200 1.200 peak 777 spectrum 1 weight 0.11000E+01 volume 0.11740E-02 ppm1 0.818 ppm2 8.013 CV 1 ASSI { 779} ( segid " " and resid 35 and name HG2%) (( segid " " and resid 35 and name HB )) 2.300 0.700 0.700 peak 779 spectrum 1 weight 0.11000E+01 volume 0.61827E-02 ppm1 0.818 ppm2 2.261 CV 1 ASSI { 784} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.800 1.000 1.000 peak 784 spectrum 1 weight 0.11000E+01 volume 0.20376E-02 ppm1 4.440 ppm2 1.934 CV 1 ASSI { 785} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB3 )) 2.700 0.900 0.900 peak 785 spectrum 1 weight 0.11000E+01 volume 0.25667E-02 ppm1 4.440 ppm2 1.592 CV 1 ASSI { 786} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG2 )) 3.100 1.200 1.200 peak 786 spectrum 1 weight 0.11000E+01 volume 0.11529E-02 ppm1 4.440 ppm2 1.711 CV 1 ASSI { 787} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG3 )) 2.700 0.900 0.900 peak 787 spectrum 1 weight 0.11000E+01 volume 0.25667E-02 ppm1 4.440 ppm2 1.573 CV 1 ASSI { 788} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HD2 )) 2.700 0.900 0.900 peak 788 spectrum 1 weight 0.11000E+01 volume 0.25105E-02 ppm1 4.440 ppm2 1.666 CV 1 ASSI { 789} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HD3 )) 2.700 0.900 0.900 peak 789 spectrum 1 weight 0.11000E+01 volume 0.26264E-02 ppm1 4.440 ppm2 1.472 CV 1 ASSI { 790} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HE2 )) 3.600 1.600 1.600 peak 790 spectrum 1 weight 0.11000E+01 volume 0.47951E-03 ppm1 4.440 ppm2 2.841 CV 1 ASSI { 795} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HB3 )) 2.300 0.700 0.700 peak 795 spectrum 1 weight 0.11000E+01 volume 0.59765E-02 ppm1 1.934 ppm2 1.592 CV 1 ASSI { 796} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG2 )) 2.500 0.800 0.800 peak 796 spectrum 1 weight 0.11000E+01 volume 0.43980E-02 ppm1 1.934 ppm2 1.711 CV 1 ASSI { 797} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG3 )) 2.300 0.700 0.700 peak 797 spectrum 1 weight 0.11000E+01 volume 0.59765E-02 ppm1 1.934 ppm2 1.573 CV 1 ASSI { 799} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HD3 )) 2.700 0.900 0.900 peak 799 spectrum 1 weight 0.11000E+01 volume 0.25834E-02 ppm1 1.934 ppm2 1.472 CV 1 ASSI { 801} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HE3 )) 3.600 1.600 1.600 peak 801 spectrum 1 weight 0.11000E+01 volume 0.43266E-03 ppm1 1.934 ppm2 2.573 CV 1 ASSI { 806} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HG2 )) 2.400 0.700 0.700 peak 806 spectrum 1 weight 0.11000E+01 volume 0.52135E-02 ppm1 1.592 ppm2 1.711 CV 1 ASSI { 807} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HG3 )) 2.000 0.500 0.500 peak 807 spectrum 1 weight 0.11000E+01 volume 0.16054E-01 ppm1 1.592 ppm2 1.573 CV 1 ASSI { 808} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HD2 )) 2.100 2.100 3.900 peak 808 spectrum 1 weight 0.11000E+01 volume 0.10706E-01 ppm1 1.592 ppm2 1.666 CV 1 ASSI { 817} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HG3 )) 2.100 0.600 0.600 peak 817 spectrum 1 weight 0.11000E+01 volume 0.99912E-02 ppm1 1.711 ppm2 1.573 CV 1 ASSI { 818} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HD2 )) 1.700 0.300 0.500 peak 818 spectrum 1 weight 0.11000E+01 volume 0.45999E-01 ppm1 1.711 ppm2 1.666 CV 1 ASSI { 819} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HD3 )) 2.400 0.700 0.700 peak 819 spectrum 1 weight 0.11000E+01 volume 0.49286E-02 ppm1 1.711 ppm2 1.472 CV 1 ASSI { 822} (( segid " " and resid 36 and name HG3 )) (( segid " " and resid 36 and name HN )) 3.700 1.700 1.700 peak 822 spectrum 1 weight 0.11000E+01 volume 0.39403E-03 ppm1 1.573 ppm2 9.066 CV 1 ASSI { 828} (( segid " " and resid 36 and name HG3 )) (( segid " " and resid 36 and name HD2 )) 2.200 2.200 3.800 peak 828 spectrum 1 weight 0.11000E+01 volume 0.93791E-02 ppm1 1.573 ppm2 1.666 CV 1 ASSI { 834} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HB2 )) 2.800 1.000 1.000 peak 834 spectrum 1 weight 0.11000E+01 volume 0.22387E-02 ppm1 1.666 ppm2 1.934 CV 1 ASSI { 845} (( segid " " and resid 36 and name HD3 )) (( segid " " and resid 36 and name HB3 )) 2.100 0.500 0.500 peak 845 spectrum 1 weight 0.11000E+01 volume 0.11878E-01 ppm1 1.472 ppm2 1.592 CV 1 ASSI { 847} (( segid " " and resid 36 and name HD3 )) (( segid " " and resid 36 and name HG3 )) 2.100 0.500 0.500 peak 847 spectrum 1 weight 0.11000E+01 volume 0.11878E-01 ppm1 1.472 ppm2 1.573 CV 1 ASSI { 848} (( segid " " and resid 36 and name HD3 )) (( segid " " and resid 36 and name HD2 )) 2.200 0.600 0.600 peak 848 spectrum 1 weight 0.11000E+01 volume 0.88470E-02 ppm1 1.472 ppm2 1.666 CV 1 ASSI { 854} (( segid " " and resid 36 and name HE2 )) (( segid " " and resid 36 and name HB2 )) 3.300 1.400 1.400 peak 854 spectrum 1 weight 0.11000E+01 volume 0.75645E-03 ppm1 2.841 ppm2 1.934 CV 1 ASSI { 855} (( segid " " and resid 36 and name HE2 )) (( segid " " and resid 36 and name HB3 )) 2.900 1.000 1.000 peak 855 spectrum 1 weight 0.11000E+01 volume 0.18335E-02 ppm1 2.841 ppm2 1.592 CV 1 ASSI { 856} (( segid " " and resid 36 and name HE2 )) (( segid " " and resid 36 and name HG2 )) 2.900 1.000 1.000 peak 856 spectrum 1 weight 0.11000E+01 volume 0.17847E-02 ppm1 2.841 ppm2 1.711 CV 1 ASSI { 857} (( segid " " and resid 36 and name HE2 )) (( segid " " and resid 36 and name HG3 )) 2.900 1.000 1.000 peak 857 spectrum 1 weight 0.11000E+01 volume 0.18335E-02 ppm1 2.841 ppm2 1.573 CV 1 ASSI { 858} (( segid " " and resid 36 and name HE2 )) (( segid " " and resid 36 and name HD2 )) 2.800 1.000 1.000 peak 858 spectrum 1 weight 0.11000E+01 volume 0.19953E-02 ppm1 2.841 ppm2 1.666 CV 1 ASSI { 859} (( segid " " and resid 36 and name HE2 )) (( segid " " and resid 36 and name HD3 )) 3.000 1.100 1.100 peak 859 spectrum 1 weight 0.11000E+01 volume 0.14043E-02 ppm1 2.841 ppm2 1.472 CV 1 ASSI { 863} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 36 and name HA )) 4.500 2.500 1.500 peak 863 spectrum 1 weight 0.11000E+01 volume 0.12615E-03 ppm1 2.573 ppm2 4.440 CV 1 ASSI { 865} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 36 and name HB3 )) 2.900 2.900 3.100 peak 865 spectrum 1 weight 0.11000E+01 volume 0.14961E-02 ppm1 2.573 ppm2 1.592 CV 1 ASSI { 866} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 36 and name HG2 )) 2.800 1.000 1.000 peak 866 spectrum 1 weight 0.11000E+01 volume 0.19319E-02 ppm1 2.573 ppm2 1.711 CV 1 ASSI { 867} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 36 and name HG3 )) 2.900 1.100 1.100 peak 867 spectrum 1 weight 0.11000E+01 volume 0.14961E-02 ppm1 2.573 ppm2 1.573 CV 1 ASSI { 868} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 36 and name HD2 )) 2.800 1.000 1.000 peak 868 spectrum 1 weight 0.11000E+01 volume 0.19625E-02 ppm1 2.573 ppm2 1.666 CV 1 ASSI { 869} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 36 and name HD3 )) 3.000 1.100 1.100 peak 869 spectrum 1 weight 0.11000E+01 volume 0.13445E-02 ppm1 2.573 ppm2 1.472 CV 1 ASSI { 870} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 36 and name HE2 )) 2.100 0.500 0.500 peak 870 spectrum 1 weight 0.11000E+01 volume 0.13249E-01 ppm1 2.573 ppm2 2.841 CV 1 ASSI { 874} (( segid " " and resid 37 and name HA )) ( segid " " and resid 37 and name HB% ) 2.200 0.600 0.600 peak 874 spectrum 1 weight 0.11000E+01 volume 0.89709E-02 ppm1 4.343 ppm2 1.621 CV 1 ASSI { 880} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB2 )) 2.900 1.000 1.000 peak 880 spectrum 1 weight 0.11000E+01 volume 0.16813E-02 ppm1 4.246 ppm2 2.549 CV 1 ASSI { 881} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB3 )) 2.500 0.800 0.800 peak 881 spectrum 1 weight 0.11000E+01 volume 0.37705E-02 ppm1 4.246 ppm2 2.140 CV 1 ASSI { 882} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HG2 )) 3.000 1.100 1.100 peak 882 spectrum 1 weight 0.11000E+01 volume 0.13963E-02 ppm1 4.246 ppm2 2.988 CV 1 ASSI { 883} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HG3 )) 2.800 1.000 1.000 peak 883 spectrum 1 weight 0.11000E+01 volume 0.18802E-02 ppm1 4.246 ppm2 2.703 CV 1 ASSI { 887} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HB3 )) 2.400 0.700 0.700 peak 887 spectrum 1 weight 0.11000E+01 volume 0.49286E-02 ppm1 2.549 ppm2 2.140 CV 1 ASSI { 888} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HG2 )) 2.900 1.000 1.000 peak 888 spectrum 1 weight 0.11000E+01 volume 0.17257E-02 ppm1 2.549 ppm2 2.988 CV 1 ASSI { 894} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 38 and name HG2 )) 3.100 1.200 1.200 peak 894 spectrum 1 weight 0.11000E+01 volume 0.11427E-02 ppm1 2.140 ppm2 2.988 CV 1 ASSI { 895} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 38 and name HG3 )) 2.700 0.900 0.900 peak 895 spectrum 1 weight 0.11000E+01 volume 0.26760E-02 ppm1 2.140 ppm2 2.703 CV 1 ASSI { 901} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 38 and name HG3 )) 2.300 0.600 0.600 peak 901 spectrum 1 weight 0.11000E+01 volume 0.75062E-02 ppm1 2.988 ppm2 2.703 CV 1 ASSI { 904} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 38 and name HB2 )) 2.200 0.600 0.600 peak 904 spectrum 1 weight 0.11000E+01 volume 0.85701E-02 ppm1 2.703 ppm2 2.549 CV 1 ASSI { 910} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB )) 3.100 1.200 1.200 peak 910 spectrum 1 weight 0.11000E+01 volume 0.10137E-02 ppm1 3.335 ppm2 2.285 CV 1 ASSI { 911} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HG2%) 2.300 0.600 0.600 peak 911 spectrum 1 weight 0.11000E+01 volume 0.70819E-02 ppm1 3.335 ppm2 0.749 CV 1 ASSI { 912} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HG12)) 2.800 1.000 1.000 peak 912 spectrum 1 weight 0.11000E+01 volume 0.19552E-02 ppm1 3.335 ppm2 1.999 CV 1 ASSI { 914} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HD1%) 2.200 0.600 0.600 peak 914 spectrum 1 weight 0.11000E+01 volume 0.89126E-02 ppm1 3.335 ppm2 0.758 CV 1 ASSI { 918} (( segid " " and resid 39 and name HB )) ( segid " " and resid 39 and name HG2%) 2.400 0.700 0.700 peak 918 spectrum 1 weight 0.11000E+01 volume 0.54452E-02 ppm1 2.285 ppm2 0.749 CV 1 ASSI { 919} (( segid " " and resid 39 and name HB )) (( segid " " and resid 39 and name HG12)) 2.400 0.700 0.700 peak 919 spectrum 1 weight 0.11000E+01 volume 0.46035E-02 ppm1 2.285 ppm2 1.999 CV 1 ASSI { 920} (( segid " " and resid 39 and name HB )) (( segid " " and resid 39 and name HG13)) 2.600 0.900 0.900 peak 920 spectrum 1 weight 0.11000E+01 volume 0.29274E-02 ppm1 2.285 ppm2 0.816 CV 1 ASSI { 926} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 39 and name HG12)) 2.800 1.000 1.000 peak 926 spectrum 1 weight 0.11000E+01 volume 0.19574E-02 ppm1 0.749 ppm2 1.999 CV 1 ASSI { 927} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 39 and name HG13)) 1.800 0.400 0.400 peak 927 spectrum 1 weight 0.11000E+01 volume 0.29303E-01 ppm1 0.749 ppm2 0.816 CV 1 ASSI { 928} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 39 and name HD1%) 1.500 0.300 0.700 peak 928 spectrum 1 weight 0.11000E+01 volume 0.10509E+00 ppm1 0.749 ppm2 0.758 CV 1 ASSI { 934} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 39 and name HG13)) 2.300 0.600 0.600 peak 934 spectrum 1 weight 0.11000E+01 volume 0.71381E-02 ppm1 1.999 ppm2 0.816 CV 1 ASSI { 935} (( segid " " and resid 39 and name HG12)) ( segid " " and resid 39 and name HD1%) 2.200 0.600 0.600 peak 935 spectrum 1 weight 0.11000E+01 volume 0.83879E-02 ppm1 1.999 ppm2 0.758 CV 1 ASSI { 937} (( segid " " and resid 39 and name HG13)) (( segid " " and resid 39 and name HA )) 3.200 1.300 1.300 peak 937 spectrum 1 weight 0.11000E+01 volume 0.97799E-03 ppm1 0.816 ppm2 3.335 CV 1 ASSI { 945} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 39 and name HB )) 2.700 0.900 0.900 peak 945 spectrum 1 weight 0.11000E+01 volume 0.27357E-02 ppm1 0.758 ppm2 2.285 CV 1 ASSI { 948} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 39 and name HG13)) 1.600 0.300 0.600 peak 948 spectrum 1 weight 0.11000E+01 volume 0.57557E-01 ppm1 0.758 ppm2 0.816 CV 1 ASSI { 952} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 2.900 1.100 1.100 peak 952 spectrum 1 weight 0.11000E+01 volume 0.15763E-02 ppm1 3.964 ppm2 2.394 CV 1 ASSI { 953} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB3 )) 2.600 0.900 0.900 peak 953 spectrum 1 weight 0.11000E+01 volume 0.31242E-02 ppm1 3.964 ppm2 1.877 CV 1 ASSI { 954} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HG2 )) 2.900 1.000 1.000 peak 954 spectrum 1 weight 0.11000E+01 volume 0.18080E-02 ppm1 3.964 ppm2 2.023 CV 1 ASSI { 955} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HG3 )) 2.600 0.800 0.800 peak 955 spectrum 1 weight 0.11000E+01 volume 0.32269E-02 ppm1 3.964 ppm2 1.942 CV 1 ASSI { 959} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HB3 )) 2.500 0.800 0.800 peak 959 spectrum 1 weight 0.11000E+01 volume 0.45110E-02 ppm1 2.394 ppm2 1.877 CV 1 ASSI { 961} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HG3 )) 2.600 0.900 0.900 peak 961 spectrum 1 weight 0.11000E+01 volume 0.30913E-02 ppm1 2.394 ppm2 1.942 CV 1 ASSI { 966} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 40 and name HG2 )) 2.400 0.700 0.700 peak 966 spectrum 1 weight 0.11000E+01 volume 0.50539E-02 ppm1 1.877 ppm2 2.023 CV 1 ASSI { 970} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 970 spectrum 1 weight 0.11000E+01 volume 0.27656E-02 ppm1 2.023 ppm2 2.394 CV 1 ASSI { 973} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 40 and name HG3 )) 2.100 0.500 0.500 peak 973 spectrum 1 weight 0.11000E+01 volume 0.13227E-01 ppm1 2.023 ppm2 1.942 CV 1 ASSI { 974} (( segid " " and resid 40 and name HG3 )) (( segid " " and resid 40 and name HN )) 3.500 1.500 1.500 peak 974 spectrum 1 weight 0.11000E+01 volume 0.51829E-03 ppm1 1.942 ppm2 8.519 CV 1 ASSI { 977} (( segid " " and resid 40 and name HG3 )) (( segid " " and resid 40 and name HB3 )) 2.200 0.600 0.600 peak 977 spectrum 1 weight 0.11000E+01 volume 0.81037E-02 ppm1 1.942 ppm2 1.877 CV 1 ASSI { 980} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HN )) 2.700 0.900 0.900 peak 980 spectrum 1 weight 0.11000E+01 volume 0.25003E-02 ppm1 4.032 ppm2 7.971 CV 1 ASSI { 982} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB )) 2.500 0.800 0.800 peak 982 spectrum 1 weight 0.11000E+01 volume 0.40934E-02 ppm1 4.029 ppm2 4.347 CV 1 ASSI { 983} (( segid " " and resid 41 and name HA )) ( segid " " and resid 41 and name HG2%) 2.400 0.700 0.700 peak 983 spectrum 1 weight 0.11000E+01 volume 0.46101E-02 ppm1 4.029 ppm2 1.369 CV 1 ASSI { 988} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 41 and name HN )) 2.700 0.900 0.900 peak 988 spectrum 1 weight 0.11000E+01 volume 0.24180E-02 ppm1 1.379 ppm2 7.971 CV 1 ASSI { 990} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 41 and name HB )) 2.200 0.600 0.600 peak 990 spectrum 1 weight 0.11000E+01 volume 0.79288E-02 ppm1 1.369 ppm2 4.347 CV 1 ASSI { 994} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB2 )) 2.400 0.700 0.700 peak 994 spectrum 1 weight 0.11000E+01 volume 0.57630E-02 ppm1 4.257 ppm2 1.581 CV 1 ASSI { 995} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB3 )) 2.600 2.600 3.400 peak 995 spectrum 1 weight 0.11000E+01 volume 0.31613E-02 ppm1 4.257 ppm2 1.315 CV 1 ASSI { 996} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HG2 )) 2.400 0.700 0.700 peak 996 spectrum 1 weight 0.11000E+01 volume 0.57163E-02 ppm1 4.257 ppm2 1.616 CV 1 ASSI { 997} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HD2 )) 2.600 0.800 0.800 peak 997 spectrum 1 weight 0.11000E+01 volume 0.34565E-02 ppm1 4.257 ppm2 1.492 CV 1 ASSI { 998} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HD3 )) 3.300 1.300 1.300 peak 998 spectrum 1 weight 0.11000E+01 volume 0.79507E-03 ppm1 4.257 ppm2 1.150 CV 1 ASSI { 1003} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HB3 )) 2.300 2.300 3.700 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.64072E-02 ppm1 1.581 ppm2 1.315 CV 1 ASSI { 1004} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HG2 )) 2.000 2.000 4.000 peak 1004 spectrum 1 weight 0.11000E+01 volume 0.16987E-01 ppm1 1.581 ppm2 1.616 CV 1 ASSI { 1012} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 42 and name HG2 )) 2.300 2.300 3.700 peak 1012 spectrum 1 weight 0.11000E+01 volume 0.63329E-02 ppm1 1.315 ppm2 1.616 CV 1 ASSI { 1013} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 42 and name HD2 )) 2.400 2.400 3.600 peak 1013 spectrum 1 weight 0.11000E+01 volume 0.53920E-02 ppm1 1.315 ppm2 1.492 CV 1 ASSI { 1015} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 42 and name HE2 )) 3.900 3.900 2.100 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.26366E-03 ppm1 1.315 ppm2 3.041 CV 1 ASSI { 1026} (( segid " " and resid 42 and name HD2 )) (( segid " " and resid 42 and name HB2 )) 1.900 0.400 0.400 peak 1026 spectrum 1 weight 0.11000E+01 volume 0.22628E-01 ppm1 1.492 ppm2 1.581 CV 1 ASSI { 1028} (( segid " " and resid 42 and name HD2 )) (( segid " " and resid 42 and name HG2 )) 2.000 0.500 0.500 peak 1028 spectrum 1 weight 0.11000E+01 volume 0.17301E-01 ppm1 1.492 ppm2 1.616 CV 1 ASSI { 1034} (( segid " " and resid 42 and name HD3 )) (( segid " " and resid 42 and name HB2 )) 2.400 0.700 0.700 peak 1034 spectrum 1 weight 0.11000E+01 volume 0.53985E-02 ppm1 1.150 ppm2 1.581 CV 1 ASSI { 1036} (( segid " " and resid 42 and name HD3 )) (( segid " " and resid 42 and name HG2 )) 2.500 0.800 0.800 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.37800E-02 ppm1 1.150 ppm2 1.616 CV 1 ASSI { 1037} (( segid " " and resid 42 and name HD3 )) (( segid " " and resid 42 and name HD2 )) 2.200 0.600 0.600 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.76737E-02 ppm1 1.150 ppm2 1.492 CV 1 ASSI { 1039} (( segid " " and resid 42 and name HD3 )) (( segid " " and resid 42 and name HE2 )) 3.200 1.200 1.200 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.10049E-02 ppm1 1.150 ppm2 3.041 CV 1 ASSI { 1040} (( segid " " and resid 42 and name HE2 )) (( segid " " and resid 42 and name HN )) 3.900 1.900 1.900 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.26082E-03 ppm1 3.041 ppm2 7.266 CV 1 ASSI { 1041} (( segid " " and resid 42 and name HE2 )) (( segid " " and resid 42 and name HA )) 3.800 1.800 1.800 peak 1041 spectrum 1 weight 0.11000E+01 volume 0.32452E-03 ppm1 3.041 ppm2 4.257 CV 1 ASSI { 1042} (( segid " " and resid 42 and name HE2 )) (( segid " " and resid 42 and name HB2 )) 2.500 2.500 3.500 peak 1042 spectrum 1 weight 0.11000E+01 volume 0.38223E-02 ppm1 3.041 ppm2 1.581 CV 1 ASSI { 1044} (( segid " " and resid 42 and name HE2 )) (( segid " " and resid 42 and name HG2 )) 2.600 0.800 0.800 peak 1044 spectrum 1 weight 0.11000E+01 volume 0.35737E-02 ppm1 3.041 ppm2 1.616 CV 1 ASSI { 1045} (( segid " " and resid 42 and name HE2 )) (( segid " " and resid 42 and name HD2 )) 2.600 0.800 0.800 peak 1045 spectrum 1 weight 0.11000E+01 volume 0.31337E-02 ppm1 3.041 ppm2 1.492 CV 1 ASSI { 1048} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 2.700 0.900 0.900 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.24049E-02 ppm1 4.577 ppm2 7.833 CV 1 ASSI { 1050} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB )) 2.400 0.700 0.700 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.46567E-02 ppm1 4.573 ppm2 4.158 CV 1 ASSI { 1051} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HG2%) 2.300 0.600 0.600 peak 1051 spectrum 1 weight 0.11000E+01 volume 0.70259E-02 ppm1 4.573 ppm2 0.907 CV 1 ASSI { 1055} (( segid " " and resid 43 and name HB )) ( segid " " and resid 43 and name HG2%) 2.300 0.700 0.700 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.60326E-02 ppm1 4.158 ppm2 0.907 CV 1 ASSI { 1064} (( segid " " and resid 44 and name HA2 )) (( segid " " and resid 44 and name HA1 )) 2.100 0.500 0.500 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.11690E-01 ppm1 3.840 ppm2 4.273 CV 1 ASSI { 1068} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB )) 2.900 1.100 1.100 peak 1068 spectrum 1 weight 0.11000E+01 volume 0.15383E-02 ppm1 4.082 ppm2 1.612 CV 1 ASSI { 1070} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG12)) 2.800 1.000 1.000 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.19625E-02 ppm1 4.082 ppm2 1.403 CV 1 ASSI { 1071} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG13)) 2.900 1.000 1.000 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.17869E-02 ppm1 4.082 ppm2 1.029 CV 1 ASSI { 1072} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HD1%) 2.700 0.900 0.900 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.25499E-02 ppm1 4.082 ppm2 0.821 CV 1 ASSI { 1076} (( segid " " and resid 45 and name HB )) ( segid " " and resid 45 and name HG2%) 2.400 0.700 0.700 peak 1076 spectrum 1 weight 0.11000E+01 volume 0.45838E-02 ppm1 1.612 ppm2 0.874 CV 1 ASSI { 1079} (( segid " " and resid 45 and name HB )) ( segid " " and resid 45 and name HD1%) 2.600 0.800 0.800 peak 1079 spectrum 1 weight 0.11000E+01 volume 0.35039E-02 ppm1 1.612 ppm2 0.821 CV 1 ASSI { 1081} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 45 and name HA )) 2.400 0.700 0.700 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.56565E-02 ppm1 0.874 ppm2 4.082 CV 1 ASSI { 1085} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 45 and name HG13)) 2.400 0.700 0.700 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.55640E-02 ppm1 0.874 ppm2 1.029 CV 1 ASSI { 1086} ( segid " " and resid 45 and name HG2%) ( segid " " and resid 45 and name HD1%) 1.600 0.300 0.600 peak 1086 spectrum 1 weight 0.11000E+01 volume 0.55604E-01 ppm1 0.874 ppm2 0.821 CV 1 ASSI { 1089} (( segid " " and resid 45 and name HG12)) (( segid " " and resid 45 and name HB )) 2.400 0.700 0.700 peak 1089 spectrum 1 weight 0.11000E+01 volume 0.51333E-02 ppm1 1.403 ppm2 1.612 CV 1 ASSI { 1090} (( segid " " and resid 45 and name HG12)) ( segid " " and resid 45 and name HG2%) 2.400 0.700 0.700 peak 1090 spectrum 1 weight 0.11000E+01 volume 0.49679E-02 ppm1 1.403 ppm2 0.874 CV 1 ASSI { 1092} (( segid " " and resid 45 and name HG12)) (( segid " " and resid 45 and name HG13)) 2.100 0.600 0.600 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.10173E-01 ppm1 1.403 ppm2 1.029 CV 1 ASSI { 1094} (( segid " " and resid 45 and name HG13)) (( segid " " and resid 45 and name HN )) 3.200 1.300 1.300 peak 1094 spectrum 1 weight 0.11000E+01 volume 0.96705E-03 ppm1 1.029 ppm2 7.727 CV 1 ASSI { 1096} (( segid " " and resid 45 and name HG13)) (( segid " " and resid 45 and name HB )) 2.500 0.800 0.800 peak 1096 spectrum 1 weight 0.11000E+01 volume 0.42661E-02 ppm1 1.029 ppm2 1.612 CV 1 ASSI { 1100} (( segid " " and resid 45 and name HG13)) ( segid " " and resid 45 and name HD1%) 2.200 0.600 0.600 peak 1100 spectrum 1 weight 0.11000E+01 volume 0.81475E-02 ppm1 1.029 ppm2 0.821 CV 1 ASSI { 1105} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HG12)) 2.300 0.600 0.600 peak 1105 spectrum 1 weight 0.11000E+01 volume 0.70449E-02 ppm1 0.821 ppm2 1.403 CV 1 ASSI { 1110} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB )) 2.800 1.000 1.000 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.20835E-02 ppm1 4.363 ppm2 2.149 CV 1 ASSI { 1112} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG12)) 3.800 1.800 1.800 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.33114E-03 ppm1 4.363 ppm2 1.518 CV 1 ASSI { 1113} (( segid " " and resid 46 and name HA )) ( segid " " and resid 46 and name HD1%) 3.100 1.200 1.200 peak 1113 spectrum 1 weight 0.11000E+01 volume 0.11806E-02 ppm1 4.363 ppm2 0.981 CV 1 ASSI { 1118} (( segid " " and resid 46 and name HB )) (( segid " " and resid 46 and name HG12)) 3.000 1.100 1.100 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.13460E-02 ppm1 2.149 ppm2 1.518 CV 1 ASSI { 1121} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HA )) 2.500 0.800 0.800 peak 1121 spectrum 1 weight 0.11000E+01 volume 0.41932E-02 ppm1 1.148 ppm2 4.363 CV 1 ASSI { 1122} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HB )) 2.300 0.600 0.600 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.75134E-02 ppm1 1.148 ppm2 2.149 CV 1 ASSI { 1124} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HG12)) 2.800 1.000 1.000 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.20733E-02 ppm1 1.148 ppm2 1.518 CV 1 ASSI { 1125} ( segid " " and resid 46 and name HG2%) ( segid " " and resid 46 and name HD1%) 2.200 0.600 0.600 peak 1125 spectrum 1 weight 0.11000E+01 volume 0.94883E-02 ppm1 1.148 ppm2 0.981 CV 1 ASSI { 1131} (( segid " " and resid 46 and name HG12)) ( segid " " and resid 46 and name HD1%) 2.200 0.600 0.600 peak 1131 spectrum 1 weight 0.11000E+01 volume 0.87304E-02 ppm1 1.518 ppm2 0.981 CV 1 ASSI { 1134} ( segid " " and resid 46 and name HD1%) (( segid " " and resid 46 and name HB )) 2.400 0.700 0.700 peak 1134 spectrum 1 weight 0.11000E+01 volume 0.47099E-02 ppm1 0.981 ppm2 2.149 CV 1 ASSI { 1138} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HA )) 2.400 2.400 3.600 peak 1138 spectrum 1 weight 0.11000E+01 volume 0.45970E-02 ppm1 3.969 ppm2 4.045 CV 1 ASSI { 1139} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HB2 )) 2.900 1.100 1.100 peak 1139 spectrum 1 weight 0.11000E+01 volume 0.15712E-02 ppm1 3.969 ppm2 2.255 CV 1 ASSI { 1140} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HB3 )) 3.100 1.200 1.200 peak 1140 spectrum 1 weight 0.11000E+01 volume 0.11076E-02 ppm1 3.969 ppm2 2.023 CV 1 ASSI { 1141} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HG2 )) 2.800 1.000 1.000 peak 1141 spectrum 1 weight 0.11000E+01 volume 0.19370E-02 ppm1 3.969 ppm2 2.243 CV 1 ASSI { 1142} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HG3 )) 2.900 1.000 1.000 peak 1142 spectrum 1 weight 0.11000E+01 volume 0.18146E-02 ppm1 3.969 ppm2 1.649 CV 1 ASSI { 1144} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HD3 )) 2.300 0.700 0.700 peak 1144 spectrum 1 weight 0.11000E+01 volume 0.63416E-02 ppm1 3.969 ppm2 3.733 CV 1 ASSI { 1146} (( segid " " and resid 47 and name HD3 )) (( segid " " and resid 47 and name HB2 )) 2.800 1.000 1.000 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.21592E-02 ppm1 3.733 ppm2 2.255 CV 1 ASSI { 1147} (( segid " " and resid 47 and name HD3 )) (( segid " " and resid 47 and name HB3 )) 3.100 1.200 1.200 peak 1147 spectrum 1 weight 0.11000E+01 volume 0.11361E-02 ppm1 3.733 ppm2 2.023 CV 1 ASSI { 1148} (( segid " " and resid 47 and name HD3 )) (( segid " " and resid 47 and name HG2 )) 2.700 0.900 0.900 peak 1148 spectrum 1 weight 0.11000E+01 volume 0.25899E-02 ppm1 3.733 ppm2 2.243 CV 1 ASSI { 1149} (( segid " " and resid 47 and name HD3 )) (( segid " " and resid 47 and name HG3 )) 2.900 1.000 1.000 peak 1149 spectrum 1 weight 0.11000E+01 volume 0.17614E-02 ppm1 3.733 ppm2 1.649 CV 1 ASSI { 1153} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.600 0.900 0.900 peak 1153 spectrum 1 weight 0.11000E+01 volume 0.30586E-02 ppm1 4.045 ppm2 2.255 CV 1 ASSI { 1154} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB3 )) 2.700 0.900 0.900 peak 1154 spectrum 1 weight 0.11000E+01 volume 0.24908E-02 ppm1 4.045 ppm2 2.023 CV 1 ASSI { 1155} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG2 )) 2.600 0.800 0.800 peak 1155 spectrum 1 weight 0.11000E+01 volume 0.35366E-02 ppm1 4.045 ppm2 2.243 CV 1 ASSI { 1158} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HD3 )) 4.000 2.000 2.000 peak 1158 spectrum 1 weight 0.11000E+01 volume 0.24850E-03 ppm1 4.045 ppm2 3.733 CV 1 ASSI { 1161} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HB3 )) 2.200 0.600 0.600 peak 1161 spectrum 1 weight 0.11000E+01 volume 0.78413E-02 ppm1 2.255 ppm2 2.023 CV 1 ASSI { 1170} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 47 and name HG3 )) 2.500 0.800 0.800 peak 1170 spectrum 1 weight 0.11000E+01 volume 0.37750E-02 ppm1 2.023 ppm2 1.649 CV 1 ASSI { 1174} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HB2 )) 2.000 0.500 0.500 peak 1174 spectrum 1 weight 0.11000E+01 volume 0.15383E-01 ppm1 2.243 ppm2 2.255 CV 1 ASSI { 1175} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HB3 )) 2.700 0.900 0.900 peak 1175 spectrum 1 weight 0.11000E+01 volume 0.25638E-02 ppm1 2.243 ppm2 2.023 CV 1 ASSI { 1177} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HG3 )) 2.200 0.600 0.600 peak 1177 spectrum 1 weight 0.11000E+01 volume 0.80964E-02 ppm1 2.243 ppm2 1.649 CV 1 ASSI { 1180} (( segid " " and resid 47 and name HG3 )) (( segid " " and resid 47 and name HA )) 3.100 1.200 1.200 peak 1180 spectrum 1 weight 0.11000E+01 volume 0.11842E-02 ppm1 1.649 ppm2 4.045 CV 1 ASSI { 1181} (( segid " " and resid 47 and name HG3 )) (( segid " " and resid 47 and name HB2 )) 2.300 0.700 0.700 peak 1181 spectrum 1 weight 0.11000E+01 volume 0.66040E-02 ppm1 1.649 ppm2 2.255 CV 1 ASSI { 1189} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB2 )) 2.500 0.800 0.800 peak 1189 spectrum 1 weight 0.11000E+01 volume 0.44118E-02 ppm1 4.217 ppm2 2.128 CV 1 ASSI { 1190} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB3 )) 2.400 0.700 0.700 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.52922E-02 ppm1 4.217 ppm2 2.042 CV 1 ASSI { 1191} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HG2 )) 2.900 1.100 1.100 peak 1191 spectrum 1 weight 0.11000E+01 volume 0.15690E-02 ppm1 4.217 ppm2 2.374 CV 1 ASSI { 1192} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HG3 )) 2.700 2.700 3.300 peak 1192 spectrum 1 weight 0.11000E+01 volume 0.25499E-02 ppm1 4.217 ppm2 2.292 CV 1 ASSI { 1197} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HG2 )) 2.200 0.600 0.600 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.77393E-02 ppm1 2.128 ppm2 2.374 CV 1 ASSI { 1198} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HG3 )) 2.100 2.100 3.900 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.10706E-01 ppm1 2.128 ppm2 2.292 CV 1 ASSI { 1201} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 48 and name HB2 )) 1.800 0.400 0.400 peak 1201 spectrum 1 weight 0.11000E+01 volume 0.25557E-01 ppm1 2.042 ppm2 2.128 CV 1 ASSI { 1203} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 48 and name HG2 )) 2.400 0.700 0.700 peak 1203 spectrum 1 weight 0.11000E+01 volume 0.45641E-02 ppm1 2.042 ppm2 2.374 CV 1 ASSI { 1210} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 48 and name HG3 )) 1.600 0.300 0.600 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.67190E-01 ppm1 2.374 ppm2 2.292 CV 1 ASSI { 1214} (( segid " " and resid 48 and name HG3 )) (( segid " " and resid 48 and name HB3 )) 2.100 0.600 0.600 peak 1214 spectrum 1 weight 0.11000E+01 volume 0.11384E-01 ppm1 2.292 ppm2 2.042 CV 1 ASSI { 1219} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB )) 2.400 0.700 0.700 peak 1219 spectrum 1 weight 0.11000E+01 volume 0.47558E-02 ppm1 4.456 ppm2 4.310 CV 1 ASSI { 1220} (( segid " " and resid 49 and name HA )) ( segid " " and resid 49 and name HG2%) 2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.11000E+01 volume 0.37188E-02 ppm1 4.456 ppm2 1.254 CV 1 ASSI { 1227} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 49 and name HB )) 2.300 0.700 0.700 peak 1227 spectrum 1 weight 0.11000E+01 volume 0.67541E-02 ppm1 1.254 ppm2 4.310 CV 1 ASSI { 1231} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB2 )) 3.000 1.100 1.100 peak 1231 spectrum 1 weight 0.11000E+01 volume 0.13081E-02 ppm1 4.051 ppm2 1.976 CV 1 ASSI { 1232} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB3 )) 2.900 1.000 1.000 peak 1232 spectrum 1 weight 0.11000E+01 volume 0.18219E-02 ppm1 4.051 ppm2 1.861 CV 1 ASSI { 1234} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HG3 )) 2.800 1.000 1.000 peak 1234 spectrum 1 weight 0.11000E+01 volume 0.19254E-02 ppm1 4.051 ppm2 1.746 CV 1 ASSI { 1239} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HG2 )) 3.200 1.300 1.300 peak 1239 spectrum 1 weight 0.11000E+01 volume 0.94227E-03 ppm1 1.976 ppm2 2.586 CV 1 ASSI { 1241} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HN )) 3.100 1.200 1.200 peak 1241 spectrum 1 weight 0.11000E+01 volume 0.11543E-02 ppm1 1.861 ppm2 7.320 CV 1 ASSI { 1243} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HB2 )) 2.200 0.600 0.600 peak 1243 spectrum 1 weight 0.11000E+01 volume 0.80527E-02 ppm1 1.861 ppm2 1.976 CV 1 ASSI { 1245} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HG2 )) 3.200 1.200 1.200 peak 1245 spectrum 1 weight 0.11000E+01 volume 0.99984E-03 ppm1 1.861 ppm2 2.586 CV 1 ASSI { 1246} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HG3 )) 2.300 0.700 0.700 peak 1246 spectrum 1 weight 0.11000E+01 volume 0.67351E-02 ppm1 1.861 ppm2 1.746 CV 1 ASSI { 1248} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HA )) 3.000 1.100 1.100 peak 1248 spectrum 1 weight 0.11000E+01 volume 0.13030E-02 ppm1 2.586 ppm2 4.051 CV 1 ASSI { 1252} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HG3 )) 2.600 0.800 0.800 peak 1252 spectrum 1 weight 0.11000E+01 volume 0.31847E-02 ppm1 2.586 ppm2 1.746 CV 1 ASSI { 1253} (( segid " " and resid 50 and name HG3 )) (( segid " " and resid 50 and name HN )) 3.100 1.200 1.200 peak 1253 spectrum 1 weight 0.11000E+01 volume 0.10362E-02 ppm1 1.746 ppm2 7.320 CV 1 ASSI { 1255} (( segid " " and resid 50 and name HG3 )) (( segid " " and resid 50 and name HB2 )) 2.100 0.600 0.600 peak 1255 spectrum 1 weight 0.11000E+01 volume 0.10509E-01 ppm1 1.746 ppm2 1.976 CV 1 ASSI { 1261} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB )) 2.800 1.000 1.000 peak 1261 spectrum 1 weight 0.11000E+01 volume 0.20026E-02 ppm1 4.153 ppm2 1.796 CV 1 ASSI { 1263} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG12)) 2.500 0.800 0.800 peak 1263 spectrum 1 weight 0.11000E+01 volume 0.35927E-02 ppm1 4.153 ppm2 0.926 CV 1 ASSI { 1264} (( segid " " and resid 51 and name HA )) ( segid " " and resid 51 and name HD1%) 2.800 1.000 1.000 peak 1264 spectrum 1 weight 0.11000E+01 volume 0.20070E-02 ppm1 4.153 ppm2 0.727 CV 1 ASSI { 1269} (( segid " " and resid 51 and name HB )) (( segid " " and resid 51 and name HG12)) 2.900 1.100 1.100 peak 1269 spectrum 1 weight 0.11000E+01 volume 0.15741E-02 ppm1 1.796 ppm2 0.926 CV 1 ASSI { 1272} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 51 and name HA )) 2.400 0.700 0.700 peak 1272 spectrum 1 weight 0.11000E+01 volume 0.49744E-02 ppm1 0.784 ppm2 4.153 CV 1 ASSI { 1273} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 51 and name HB )) 2.200 0.600 0.600 peak 1273 spectrum 1 weight 0.11000E+01 volume 0.81401E-02 ppm1 0.784 ppm2 1.796 CV 1 ASSI { 1275} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 51 and name HG12)) 2.200 0.600 0.600 peak 1275 spectrum 1 weight 0.11000E+01 volume 0.85846E-02 ppm1 0.784 ppm2 0.926 CV 1 ASSI { 1283} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 51 and name HN )) 3.200 1.300 1.300 peak 1283 spectrum 1 weight 0.11000E+01 volume 0.83733E-03 ppm1 0.727 ppm2 8.704 CV 1 ASSI { 1285} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 51 and name HB )) 2.500 0.800 0.800 peak 1285 spectrum 1 weight 0.11000E+01 volume 0.37006E-02 ppm1 0.727 ppm2 1.796 CV 1 ASSI { 1286} ( segid " " and resid 51 and name HD1%) ( segid " " and resid 51 and name HG2%) 1.800 0.400 0.400 peak 1286 spectrum 1 weight 0.11000E+01 volume 0.32699E-01 ppm1 0.727 ppm2 0.784 CV 1 ASSI { 1287} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 51 and name HG12)) 2.100 0.500 0.500 peak 1287 spectrum 1 weight 0.11000E+01 volume 0.13263E-01 ppm1 0.727 ppm2 0.926 CV 1 ASSI { 1291} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB )) 2.900 1.000 1.000 peak 1291 spectrum 1 weight 0.11000E+01 volume 0.17490E-02 ppm1 5.329 ppm2 1.788 CV 1 ASSI { 1292} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HG1%) 2.500 0.800 0.800 peak 1292 spectrum 1 weight 0.11000E+01 volume 0.38827E-02 ppm1 5.329 ppm2 0.943 CV 1 ASSI { 1293} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HG2%) 2.400 0.700 0.700 peak 1293 spectrum 1 weight 0.11000E+01 volume 0.52462E-02 ppm1 5.329 ppm2 0.778 CV 1 ASSI { 1301} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 52 and name HB )) 2.300 0.700 0.700 peak 1301 spectrum 1 weight 0.11000E+01 volume 0.69232E-02 ppm1 0.943 ppm2 1.788 CV 1 ASSI { 1303} ( segid " " and resid 52 and name HG1%) ( segid " " and resid 52 and name HG2%) 2.000 0.500 0.500 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.17490E-01 ppm1 0.943 ppm2 0.778 CV 1 ASSI { 1304} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 52 and name HN )) 2.900 1.100 1.100 peak 1304 spectrum 1 weight 0.11000E+01 volume 0.14991E-02 ppm1 0.778 ppm2 8.928 CV 1 ASSI { 1306} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 52 and name HB )) 2.300 0.700 0.700 peak 1306 spectrum 1 weight 0.11000E+01 volume 0.65296E-02 ppm1 0.778 ppm2 1.788 CV 1 ASSI { 1311} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB )) 2.700 0.900 0.900 peak 1311 spectrum 1 weight 0.11000E+01 volume 0.24078E-02 ppm1 5.192 ppm2 3.874 CV 1 ASSI { 1316} (( segid " " and resid 53 and name HB )) ( segid " " and resid 53 and name HG2%) 2.400 0.700 0.700 peak 1316 spectrum 1 weight 0.11000E+01 volume 0.55771E-02 ppm1 3.874 ppm2 1.024 CV 1 ASSI { 1318} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 53 and name HA )) 2.400 0.700 0.700 peak 1318 spectrum 1 weight 0.11000E+01 volume 0.45773E-02 ppm1 1.024 ppm2 5.192 CV 1 ASSI { 1323} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) 2.900 1.100 1.100 peak 1323 spectrum 1 weight 0.11000E+01 volume 0.15712E-02 ppm1 4.969 ppm2 1.691 CV 1 ASSI { 1325} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HG )) 3.100 1.200 1.200 peak 1325 spectrum 1 weight 0.11000E+01 volume 0.12119E-02 ppm1 4.969 ppm2 1.634 CV 1 ASSI { 1327} (( segid " " and resid 54 and name HA )) ( segid " " and resid 54 and name HD2%) 3.100 1.200 1.200 peak 1327 spectrum 1 weight 0.11000E+01 volume 0.12185E-02 ppm1 4.969 ppm2 0.794 CV 1 ASSI { 1331} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HB3 )) 2.300 0.600 0.600 peak 1331 spectrum 1 weight 0.11000E+01 volume 0.70069E-02 ppm1 1.691 ppm2 1.202 CV 1 ASSI { 1334} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HD2%) 2.500 0.800 0.800 peak 1334 spectrum 1 weight 0.11000E+01 volume 0.37705E-02 ppm1 1.691 ppm2 0.794 CV 1 ASSI { 1336} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HA )) 2.800 1.000 1.000 peak 1336 spectrum 1 weight 0.11000E+01 volume 0.18802E-02 ppm1 1.202 ppm2 4.969 CV 1 ASSI { 1339} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HG )) 2.300 0.700 0.700 peak 1339 spectrum 1 weight 0.11000E+01 volume 0.58927E-02 ppm1 1.202 ppm2 1.634 CV 1 ASSI { 1341} (( segid " " and resid 54 and name HB3 )) ( segid " " and resid 54 and name HD2%) 2.500 0.800 0.800 peak 1341 spectrum 1 weight 0.11000E+01 volume 0.43258E-02 ppm1 1.202 ppm2 0.794 CV 1 ASSI { 1344} (( segid " " and resid 54 and name HG )) (( segid " " and resid 54 and name HB2 )) 1.900 0.500 0.500 peak 1344 spectrum 1 weight 0.11000E+01 volume 0.19210E-01 ppm1 1.620 ppm2 1.701 CV 1 ASSI { 1347} (( segid " " and resid 54 and name HG )) ( segid " " and resid 54 and name HD1%) 2.300 0.600 0.600 peak 1347 spectrum 1 weight 0.11000E+01 volume 0.74915E-02 ppm1 1.620 ppm2 0.930 CV 1 ASSI { 1350} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HA )) 2.400 0.700 0.700 peak 1350 spectrum 1 weight 0.11000E+01 volume 0.57986E-02 ppm1 0.935 ppm2 4.969 CV 1 ASSI { 1351} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HB2 )) 2.400 0.700 0.700 peak 1351 spectrum 1 weight 0.11000E+01 volume 0.58176E-02 ppm1 0.935 ppm2 1.691 CV 1 ASSI { 1352} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HB3 )) 2.500 0.800 0.800 peak 1352 spectrum 1 weight 0.11000E+01 volume 0.39251E-02 ppm1 0.935 ppm2 1.202 CV 1 ASSI { 1355} ( segid " " and resid 54 and name HD1%) ( segid " " and resid 54 and name HD2%) 1.800 0.400 0.400 peak 1355 spectrum 1 weight 0.11000E+01 volume 0.30804E-01 ppm1 0.935 ppm2 0.794 CV 1 ASSI { 1360} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 54 and name HG )) 2.200 0.600 0.600 peak 1360 spectrum 1 weight 0.11000E+01 volume 0.90219E-02 ppm1 0.794 ppm2 1.634 CV 1 ASSI { 1363} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.900 1.000 1.000 peak 1363 spectrum 1 weight 0.11000E+01 volume 0.17351E-02 ppm1 4.521 ppm2 10.227 CV 1 ASSI { 1365} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 2.400 0.700 0.700 peak 1365 spectrum 1 weight 0.11000E+01 volume 0.54583E-02 ppm1 4.521 ppm2 3.131 CV 1 ASSI { 1371} (( segid " " and resid 56 and name HA1 )) (( segid " " and resid 56 and name HA2 )) 2.000 0.500 0.500 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.15792E-01 ppm1 4.277 ppm2 3.627 CV 1 ASSI { 1372} (( segid " " and resid 56 and name HA2 )) (( segid " " and resid 56 and name HN )) 2.600 0.800 0.800 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.32881E-02 ppm1 3.627 ppm2 8.873 CV 1 ASSI { 1377} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB2 )) 2.700 0.900 0.900 peak 1377 spectrum 1 weight 0.11000E+01 volume 0.25171E-02 ppm1 4.766 ppm2 2.089 CV 1 ASSI { 1378} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HG2 )) 2.700 0.900 0.900 peak 1378 spectrum 1 weight 0.11000E+01 volume 0.23881E-02 ppm1 4.766 ppm2 1.885 CV 1 ASSI { 1379} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HD2 )) 3.200 1.300 1.300 peak 1379 spectrum 1 weight 0.11000E+01 volume 0.95102E-03 ppm1 4.766 ppm2 1.666 CV 1 ASSI { 1380} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HD3 )) 2.600 0.900 0.900 peak 1380 spectrum 1 weight 0.11000E+01 volume 0.29041E-02 ppm1 4.766 ppm2 1.602 CV 1 ASSI { 1381} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HE2 )) 3.300 1.400 1.400 peak 1381 spectrum 1 weight 0.11000E+01 volume 0.73312E-03 ppm1 4.766 ppm2 3.164 CV 1 ASSI { 1386} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HD2 )) 2.500 2.500 3.500 peak 1386 spectrum 1 weight 0.11000E+01 volume 0.41466E-02 ppm1 2.089 ppm2 1.666 CV 1 ASSI { 1387} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HD3 )) 2.600 0.800 0.800 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.34003E-02 ppm1 2.089 ppm2 1.602 CV 1 ASSI { 1391} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HB2 )) 2.400 0.700 0.700 peak 1391 spectrum 1 weight 0.11000E+01 volume 0.54314E-02 ppm1 1.885 ppm2 2.089 CV 1 ASSI { 1393} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HD2 )) 2.300 0.600 0.600 peak 1393 spectrum 1 weight 0.11000E+01 volume 0.73458E-02 ppm1 1.885 ppm2 1.666 CV 1 ASSI { 1394} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HD3 )) 2.400 0.700 0.700 peak 1394 spectrum 1 weight 0.11000E+01 volume 0.54912E-02 ppm1 1.885 ppm2 1.602 CV 1 ASSI { 1401} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HD3 )) 1.800 0.400 0.400 peak 1401 spectrum 1 weight 0.11000E+01 volume 0.27277E-01 ppm1 1.666 ppm2 1.602 CV 1 ASSI { 1412} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name HB2 )) 3.400 1.400 1.400 peak 1412 spectrum 1 weight 0.11000E+01 volume 0.63256E-03 ppm1 3.164 ppm2 2.089 CV 1 ASSI { 1413} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name HG2 )) 2.400 0.700 0.700 peak 1413 spectrum 1 weight 0.11000E+01 volume 0.46167E-02 ppm1 3.164 ppm2 1.885 CV 1 ASSI { 1414} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name HD2 )) 2.800 1.000 1.000 peak 1414 spectrum 1 weight 0.11000E+01 volume 0.19625E-02 ppm1 3.164 ppm2 1.666 CV 1 ASSI { 1415} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name HD3 )) 2.800 1.000 1.000 peak 1415 spectrum 1 weight 0.11000E+01 volume 0.18503E-02 ppm1 3.164 ppm2 1.602 CV 1 ASSI { 1417} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HN )) 2.500 0.800 0.800 peak 1417 spectrum 1 weight 0.11000E+01 volume 0.41998E-02 ppm1 4.651 ppm2 8.713 CV 1 ASSI { 1421} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG3 )) 2.500 0.800 0.800 peak 1421 spectrum 1 weight 0.11000E+01 volume 0.39906E-02 ppm1 4.651 ppm2 1.583 CV 1 ASSI { 1422} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HD2 )) 3.000 1.100 1.100 peak 1422 spectrum 1 weight 0.11000E+01 volume 0.14823E-02 ppm1 4.651 ppm2 3.237 CV 1 ASSI { 1424} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HA )) 2.700 0.900 0.900 peak 1424 spectrum 1 weight 0.11000E+01 volume 0.24275E-02 ppm1 1.805 ppm2 4.651 CV 1 ASSI { 1426} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HG2 )) 2.200 0.600 0.600 peak 1426 spectrum 1 weight 0.11000E+01 volume 0.95539E-02 ppm1 1.805 ppm2 1.674 CV 1 ASSI { 1427} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HG3 )) 2.200 0.600 0.600 peak 1427 spectrum 1 weight 0.11000E+01 volume 0.88398E-02 ppm1 1.805 ppm2 1.583 CV 1 ASSI { 1430} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HA )) 3.100 1.200 1.200 peak 1430 spectrum 1 weight 0.11000E+01 volume 0.11194E-02 ppm1 1.674 ppm2 4.651 CV 1 ASSI { 1433} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HG3 )) 1.900 0.400 0.400 peak 1433 spectrum 1 weight 0.11000E+01 volume 0.23568E-01 ppm1 1.674 ppm2 1.583 CV 1 ASSI { 1443} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HB2 )) 2.600 0.800 0.800 peak 1443 spectrum 1 weight 0.11000E+01 volume 0.35549E-02 ppm1 3.237 ppm2 1.805 CV 1 ASSI { 1444} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HG2 )) 2.400 0.700 0.700 peak 1444 spectrum 1 weight 0.11000E+01 volume 0.50080E-02 ppm1 3.237 ppm2 1.674 CV 1 ASSI { 1445} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HG3 )) 2.700 0.900 0.900 peak 1445 spectrum 1 weight 0.11000E+01 volume 0.25339E-02 ppm1 3.237 ppm2 1.583 CV 1 ASSI { 1449} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 2.900 1.100 1.100 peak 1449 spectrum 1 weight 0.11000E+01 volume 0.15406E-02 ppm1 3.934 ppm2 1.490 CV 1 ASSI { 1450} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB3 )) 2.600 0.800 0.800 peak 1450 spectrum 1 weight 0.11000E+01 volume 0.33538E-02 ppm1 3.934 ppm2 1.259 CV 1 ASSI { 1457} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HB3 )) 2.200 0.600 0.600 peak 1457 spectrum 1 weight 0.11000E+01 volume 0.94081E-02 ppm1 1.490 ppm2 1.259 CV 1 ASSI { 1458} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HG )) 2.200 0.600 0.600 peak 1458 spectrum 1 weight 0.11000E+01 volume 0.96414E-02 ppm1 1.490 ppm2 1.275 CV 1 ASSI { 1465} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 59 and name HG )) 2.100 0.600 0.600 peak 1465 spectrum 1 weight 0.11000E+01 volume 0.10822E-01 ppm1 1.259 ppm2 1.275 CV 1 ASSI { 1466} (( segid " " and resid 59 and name HB3 )) ( segid " " and resid 59 and name HD1%) 2.900 1.100 1.100 peak 1466 spectrum 1 weight 0.11000E+01 volume 0.15902E-02 ppm1 1.259 ppm2 0.532 CV 1 ASSI { 1468} (( segid " " and resid 59 and name HG )) (( segid " " and resid 59 and name HN )) 2.900 1.100 1.100 peak 1468 spectrum 1 weight 0.11000E+01 volume 0.15857E-02 ppm1 1.275 ppm2 8.725 CV 1 ASSI { 1469} (( segid " " and resid 59 and name HG )) (( segid " " and resid 59 and name HA )) 3.400 1.400 1.400 peak 1469 spectrum 1 weight 0.11000E+01 volume 0.65821E-03 ppm1 1.275 ppm2 3.934 CV 1 ASSI { 1476} ( segid " " and resid 59 and name HD1%) (( segid " " and resid 59 and name HA )) 3.200 1.300 1.300 peak 1476 spectrum 1 weight 0.11000E+01 volume 0.91531E-03 ppm1 0.532 ppm2 3.934 CV 1 ASSI { 1477} ( segid " " and resid 59 and name HD1%) (( segid " " and resid 59 and name HB2 )) 2.500 0.800 0.800 peak 1477 spectrum 1 weight 0.11000E+01 volume 0.36671E-02 ppm1 0.532 ppm2 1.490 CV 1 ASSI { 1479} ( segid " " and resid 59 and name HD1%) (( segid " " and resid 59 and name HG )) 2.300 0.700 0.700 peak 1479 spectrum 1 weight 0.11000E+01 volume 0.67074E-02 ppm1 0.532 ppm2 1.275 CV 1 ASSI { 1481} ( segid " " and resid 59 and name HD1%) ( segid " " and resid 59 and name HD2%) 2.300 0.600 0.600 peak 1481 spectrum 1 weight 0.11000E+01 volume 0.70631E-02 ppm1 0.532 ppm2 0.120 CV 1 ASSI { 1483} ( segid " " and resid 59 and name HD2%) (( segid " " and resid 59 and name HA )) 2.400 0.700 0.700 peak 1483 spectrum 1 weight 0.11000E+01 volume 0.49948E-02 ppm1 0.120 ppm2 3.934 CV 1 ASSI { 1484} ( segid " " and resid 59 and name HD2%) (( segid " " and resid 59 and name HB2 )) 2.700 0.900 0.900 peak 1484 spectrum 1 weight 0.11000E+01 volume 0.25470E-02 ppm1 0.120 ppm2 1.490 CV 1 ASSI { 1485} ( segid " " and resid 59 and name HD2%) (( segid " " and resid 59 and name HB3 )) 2.300 0.600 0.600 peak 1485 spectrum 1 weight 0.11000E+01 volume 0.73604E-02 ppm1 0.120 ppm2 1.259 CV 1 ASSI { 1486} ( segid " " and resid 59 and name HD2%) (( segid " " and resid 59 and name HG )) 2.200 0.600 0.600 peak 1486 spectrum 1 weight 0.11000E+01 volume 0.77393E-02 ppm1 0.120 ppm2 1.275 CV 1 ASSI { 1491} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB2 )) 2.700 0.900 0.900 peak 1491 spectrum 1 weight 0.11000E+01 volume 0.25499E-02 ppm1 4.604 ppm2 2.166 CV 1 ASSI { 1494} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG3 )) 2.900 1.000 1.000 peak 1494 spectrum 1 weight 0.11000E+01 volume 0.17468E-02 ppm1 4.604 ppm2 2.302 CV 1 ASSI { 1498} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HB3 )) 2.100 0.600 0.600 peak 1498 spectrum 1 weight 0.11000E+01 volume 0.10305E-01 ppm1 2.166 ppm2 1.934 CV 1 ASSI { 1500} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HG3 )) 2.300 0.600 0.600 peak 1500 spectrum 1 weight 0.11000E+01 volume 0.70725E-02 ppm1 2.166 ppm2 2.302 CV 1 ASSI { 1501} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HN )) 3.000 1.100 1.100 peak 1501 spectrum 1 weight 0.11000E+01 volume 0.14079E-02 ppm1 1.934 ppm2 8.088 CV 1 ASSI { 1502} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HA )) 3.000 1.100 1.100 peak 1502 spectrum 1 weight 0.11000E+01 volume 0.14057E-02 ppm1 1.934 ppm2 4.604 CV 1 ASSI { 1508} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HA )) 3.000 1.100 1.100 peak 1508 spectrum 1 weight 0.11000E+01 volume 0.13744E-02 ppm1 2.474 ppm2 4.604 CV 1 ASSI { 1509} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HB2 )) 2.600 0.900 0.900 peak 1509 spectrum 1 weight 0.11000E+01 volume 0.28647E-02 ppm1 2.474 ppm2 2.166 CV 1 ASSI { 1510} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HB3 )) 2.800 1.000 1.000 peak 1510 spectrum 1 weight 0.11000E+01 volume 0.22424E-02 ppm1 2.474 ppm2 1.934 CV 1 ASSI { 1513} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 60 and name HN )) 3.400 1.400 1.400 peak 1513 spectrum 1 weight 0.11000E+01 volume 0.67730E-03 ppm1 2.302 ppm2 8.088 CV 1 ASSI { 1516} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 60 and name HB3 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.11000E+01 volume 0.34382E-02 ppm1 2.302 ppm2 1.934 CV 1 ASSI { 1517} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 60 and name HG2 )) 1.900 0.400 0.400 peak 1517 spectrum 1 weight 0.11000E+01 volume 0.23721E-01 ppm1 2.302 ppm2 2.474 CV 1 ASSI { 1521} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.11000E+01 volume 0.23881E-02 ppm1 4.272 ppm2 2.712 CV 1 ASSI { 1526} (( segid " " and resid 62 and name HA1 )) (( segid " " and resid 62 and name HA2 )) 2.000 0.500 0.500 peak 1526 spectrum 1 weight 0.11000E+01 volume 0.14779E-01 ppm1 4.439 ppm2 3.844 CV 1 ASSI { 1536} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HN )) 3.100 1.200 1.200 peak 1536 spectrum 1 weight 0.11000E+01 volume 0.10217E-02 ppm1 2.505 ppm2 7.523 CV 1 ASSI { 1537} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) 3.000 1.100 1.100 peak 1537 spectrum 1 weight 0.11000E+01 volume 0.14728E-02 ppm1 2.505 ppm2 4.838 CV 1 ASSI { 1539} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HB3 )) 2.200 0.600 0.600 peak 1539 spectrum 1 weight 0.11000E+01 volume 0.85483E-02 ppm1 2.505 ppm2 2.412 CV 1 ASSI { 1540} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HG2 )) 2.700 0.900 0.900 peak 1540 spectrum 1 weight 0.11000E+01 volume 0.24340E-02 ppm1 2.505 ppm2 1.746 CV 1 ASSI { 1542} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HE2 )) 3.600 1.600 1.600 peak 1542 spectrum 1 weight 0.11000E+01 volume 0.48943E-03 ppm1 2.505 ppm2 2.991 CV 1 ASSI { 1544} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HA )) 3.000 1.100 1.100 peak 1544 spectrum 1 weight 0.11000E+01 volume 0.14254E-02 ppm1 2.412 ppm2 4.838 CV 1 ASSI { 1547} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HG2 )) 2.900 1.000 1.000 peak 1547 spectrum 1 weight 0.11000E+01 volume 0.16958E-02 ppm1 2.412 ppm2 1.746 CV 1 ASSI { 1549} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HE2 )) 4.400 2.400 1.600 peak 1549 spectrum 1 weight 0.11000E+01 volume 0.14050E-03 ppm1 2.412 ppm2 2.991 CV 1 ASSI { 1551} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name HA )) 2.800 1.000 1.000 peak 1551 spectrum 1 weight 0.11000E+01 volume 0.19837E-02 ppm1 1.746 ppm2 4.838 CV 1 ASSI { 1558} (( segid " " and resid 63 and name HD2 )) (( segid " " and resid 63 and name HA )) 3.000 1.100 1.100 peak 1558 spectrum 1 weight 0.11000E+01 volume 0.13147E-02 ppm1 1.422 ppm2 4.838 CV 1 ASSI { 1559} (( segid " " and resid 63 and name HD2 )) (( segid " " and resid 63 and name HB2 )) 3.000 1.100 1.100 peak 1559 spectrum 1 weight 0.11000E+01 volume 0.14174E-02 ppm1 1.422 ppm2 2.505 CV 1 ASSI { 1560} (( segid " " and resid 63 and name HD2 )) (( segid " " and resid 63 and name HB3 )) 3.000 1.100 1.100 peak 1560 spectrum 1 weight 0.11000E+01 volume 0.13198E-02 ppm1 1.422 ppm2 2.412 CV 1 ASSI { 1561} (( segid " " and resid 63 and name HD2 )) (( segid " " and resid 63 and name HG2 )) 2.300 0.600 0.600 peak 1561 spectrum 1 weight 0.11000E+01 volume 0.72875E-02 ppm1 1.422 ppm2 1.746 CV 1 ASSI { 1565} (( segid " " and resid 63 and name HE2 )) (( segid " " and resid 63 and name HA )) 3.400 1.500 1.500 peak 1565 spectrum 1 weight 0.11000E+01 volume 0.60938E-03 ppm1 2.991 ppm2 4.838 CV 1 ASSI { 1568} (( segid " " and resid 63 and name HE2 )) (( segid " " and resid 63 and name HG2 )) 2.400 0.700 0.700 peak 1568 spectrum 1 weight 0.11000E+01 volume 0.48155E-02 ppm1 2.991 ppm2 1.746 CV 1 ASSI { 1569} (( segid " " and resid 63 and name HE2 )) (( segid " " and resid 63 and name HD2 )) 3.000 1.100 1.100 peak 1569 spectrum 1 weight 0.11000E+01 volume 0.12717E-02 ppm1 2.991 ppm2 1.422 CV 1 ASSI { 1573} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 1573 spectrum 1 weight 0.11000E+01 volume 0.26497E-02 ppm1 5.311 ppm2 2.304 CV 1 ASSI { 1574} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB3 )) 2.900 1.000 1.000 peak 1574 spectrum 1 weight 0.11000E+01 volume 0.17002E-02 ppm1 5.311 ppm2 2.071 CV 1 ASSI { 1576} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG3 )) 3.400 1.400 1.400 peak 1576 spectrum 1 weight 0.11000E+01 volume 0.68721E-03 ppm1 5.311 ppm2 2.676 CV 1 ASSI { 1585} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 64 and name HB2 )) 2.200 0.600 0.600 peak 1585 spectrum 1 weight 0.11000E+01 volume 0.90073E-02 ppm1 2.071 ppm2 2.304 CV 1 ASSI { 1590} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HA )) 3.400 1.500 1.500 peak 1590 spectrum 1 weight 0.11000E+01 volume 0.61266E-03 ppm1 2.817 ppm2 5.311 CV 1 ASSI { 1591} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HB2 )) 2.900 1.000 1.000 peak 1591 spectrum 1 weight 0.11000E+01 volume 0.17330E-02 ppm1 2.817 ppm2 2.304 CV 1 ASSI { 1592} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HB3 )) 2.700 0.900 0.900 peak 1592 spectrum 1 weight 0.11000E+01 volume 0.23750E-02 ppm1 2.817 ppm2 2.071 CV 1 ASSI { 1594} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HG3 )) 2.000 0.500 0.500 peak 1594 spectrum 1 weight 0.11000E+01 volume 0.17089E-01 ppm1 2.817 ppm2 2.676 CV 1 ASSI { 1597} (( segid " " and resid 64 and name HG3 )) (( segid " " and resid 64 and name HB2 )) 3.000 1.100 1.100 peak 1597 spectrum 1 weight 0.11000E+01 volume 0.14473E-02 ppm1 2.676 ppm2 2.304 CV 1 ASSI { 1598} (( segid " " and resid 64 and name HG3 )) (( segid " " and resid 64 and name HB3 )) 2.700 0.900 0.900 peak 1598 spectrum 1 weight 0.11000E+01 volume 0.27889E-02 ppm1 2.676 ppm2 2.071 CV 1 ASSI { 1608} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HA )) 3.300 1.400 1.400 peak 1608 spectrum 1 weight 0.11000E+01 volume 0.75207E-03 ppm1 2.453 ppm2 4.790 CV 1 ASSI { 1610} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HB3 )) 2.400 0.700 0.700 peak 1610 spectrum 1 weight 0.11000E+01 volume 0.46502E-02 ppm1 2.453 ppm2 1.856 CV 1 ASSI { 1614} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 65 and name HA )) 3.100 1.200 1.200 peak 1614 spectrum 1 weight 0.11000E+01 volume 0.11375E-02 ppm1 1.856 ppm2 4.790 CV 1 ASSI { 1617} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 65 and name HG2 )) 2.600 0.800 0.800 peak 1617 spectrum 1 weight 0.11000E+01 volume 0.31337E-02 ppm1 1.856 ppm2 2.508 CV 1 ASSI { 1618} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 65 and name HG3 )) 2.700 0.900 0.900 peak 1618 spectrum 1 weight 0.11000E+01 volume 0.26366E-02 ppm1 1.856 ppm2 2.338 CV 1 ASSI { 1620} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 65 and name HA )) 3.200 1.300 1.300 peak 1620 spectrum 1 weight 0.11000E+01 volume 0.98017E-03 ppm1 2.508 ppm2 4.790 CV 1 ASSI { 1621} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 65 and name HB2 )) 2.200 0.600 0.600 peak 1621 spectrum 1 weight 0.11000E+01 volume 0.85045E-02 ppm1 2.508 ppm2 2.453 CV 1 ASSI { 1624} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 65 and name HG3 )) 2.200 0.600 0.600 peak 1624 spectrum 1 weight 0.11000E+01 volume 0.83296E-02 ppm1 2.508 ppm2 2.338 CV 1 ASSI { 1626} (( segid " " and resid 65 and name HG3 )) (( segid " " and resid 65 and name HA )) 3.700 1.700 1.700 peak 1626 spectrum 1 weight 0.11000E+01 volume 0.36940E-03 ppm1 2.338 ppm2 4.790 CV 1 ASSI { 1627} (( segid " " and resid 65 and name HG3 )) (( segid " " and resid 65 and name HB2 )) 2.400 0.700 0.700 peak 1627 spectrum 1 weight 0.11000E+01 volume 0.47164E-02 ppm1 2.338 ppm2 2.453 CV 1 ASSI { 1633} (( segid " " and resid 66 and name HA )) ( segid " " and resid 66 and name HB% ) 2.200 0.600 0.600 peak 1633 spectrum 1 weight 0.11000E+01 volume 0.79433E-02 ppm1 4.247 ppm2 1.515 CV 1 ASSI { 1639} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 1639 spectrum 1 weight 0.11000E+01 volume 0.20143E-02 ppm1 4.425 ppm2 2.822 CV 1 ASSI { 1640} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB3 )) 2.500 0.800 0.800 peak 1640 spectrum 1 weight 0.11000E+01 volume 0.41597E-02 ppm1 4.425 ppm2 2.464 CV 1 ASSI { 1644} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HB3 )) 2.100 0.600 0.600 peak 1644 spectrum 1 weight 0.11000E+01 volume 0.99912E-02 ppm1 2.822 ppm2 2.464 CV 1 ASSI { 1651} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB2 )) 2.800 1.000 1.000 peak 1651 spectrum 1 weight 0.11000E+01 volume 0.20536E-02 ppm1 4.488 ppm2 3.398 CV 1 ASSI { 1656} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HB3 )) 2.300 0.700 0.700 peak 1656 spectrum 1 weight 0.11000E+01 volume 0.67541E-02 ppm1 3.398 ppm2 2.760 CV 1 ASSI { 1657} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 68 and name HN )) 2.900 1.000 1.000 peak 1657 spectrum 1 weight 0.11000E+01 volume 0.16834E-02 ppm1 2.760 ppm2 7.795 CV 1 ASSI { 1658} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 1658 spectrum 1 weight 0.11000E+01 volume 0.11973E-02 ppm1 2.760 ppm2 4.488 CV 1 ASSI { 1661} (( segid " " and resid 69 and name HA1 )) (( segid " " and resid 69 and name HN )) 2.800 1.000 1.000 peak 1661 spectrum 1 weight 0.11000E+01 volume 0.18452E-02 ppm1 4.035 ppm2 7.823 CV 1 ASSI { 1663} (( segid " " and resid 69 and name HA1 )) (( segid " " and resid 69 and name HA2 )) 1.900 0.500 0.500 peak 1663 spectrum 1 weight 0.11000E+01 volume 0.19210E-01 ppm1 4.035 ppm2 3.914 CV 1 ASSI { 1664} (( segid " " and resid 69 and name HA2 )) (( segid " " and resid 69 and name HN )) 2.800 1.000 1.000 peak 1664 spectrum 1 weight 0.11000E+01 volume 0.21331E-02 ppm1 3.914 ppm2 7.823 CV 1 ASSI { 1669} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB )) 2.500 0.800 0.800 peak 1669 spectrum 1 weight 0.11000E+01 volume 0.40606E-02 ppm1 4.218 ppm2 1.671 CV 1 ASSI { 1670} (( segid " " and resid 70 and name HA )) ( segid " " and resid 70 and name HG2%) 2.400 0.700 0.700 peak 1670 spectrum 1 weight 0.11000E+01 volume 0.51734E-02 ppm1 4.218 ppm2 0.935 CV 1 ASSI { 1671} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HG12)) 2.800 2.800 3.200 peak 1671 spectrum 1 weight 0.11000E+01 volume 0.20114E-02 ppm1 4.218 ppm2 1.529 CV 1 ASSI { 1673} (( segid " " and resid 70 and name HA )) ( segid " " and resid 70 and name HD1%) 2.700 0.900 0.900 peak 1673 spectrum 1 weight 0.11000E+01 volume 0.26395E-02 ppm1 4.218 ppm2 0.762 CV 1 ASSI { 1674} (( segid " " and resid 70 and name HB )) (( segid " " and resid 70 and name HN )) 2.900 1.000 1.000 peak 1674 spectrum 1 weight 0.11000E+01 volume 0.18357E-02 ppm1 1.671 ppm2 6.746 CV 1 ASSI { 1680} (( segid " " and resid 70 and name HB )) ( segid " " and resid 70 and name HD1%) 2.500 0.800 0.800 peak 1680 spectrum 1 weight 0.11000E+01 volume 0.39579E-02 ppm1 1.671 ppm2 0.762 CV 1 ASSI { 1683} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HB )) 2.300 0.700 0.700 peak 1683 spectrum 1 weight 0.11000E+01 volume 0.63984E-02 ppm1 0.935 ppm2 1.671 CV 1 ASSI { 1686} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HG13)) 2.200 2.200 3.800 peak 1686 spectrum 1 weight 0.11000E+01 volume 0.87158E-02 ppm1 0.935 ppm2 1.031 CV 1 ASSI { 1687} ( segid " " and resid 70 and name HG2%) ( segid " " and resid 70 and name HD1%) 2.100 0.500 0.500 peak 1687 spectrum 1 weight 0.11000E+01 volume 0.12797E-01 ppm1 0.935 ppm2 0.762 CV 1 ASSI { 1690} (( segid " " and resid 70 and name HG12)) (( segid " " and resid 70 and name HB )) 2.200 0.600 0.600 peak 1690 spectrum 1 weight 0.11000E+01 volume 0.98672E-02 ppm1 1.529 ppm2 1.671 CV 1 ASSI { 1691} (( segid " " and resid 70 and name HG12)) ( segid " " and resid 70 and name HG2%) 2.300 0.700 0.700 peak 1691 spectrum 1 weight 0.11000E+01 volume 0.69137E-02 ppm1 1.529 ppm2 0.935 CV 1 ASSI { 1693} (( segid " " and resid 70 and name HG12)) (( segid " " and resid 70 and name HG13)) 2.200 0.600 0.600 peak 1693 spectrum 1 weight 0.11000E+01 volume 0.92843E-02 ppm1 1.529 ppm2 1.031 CV 1 ASSI { 1694} (( segid " " and resid 70 and name HG12)) ( segid " " and resid 70 and name HD1%) 2.200 0.600 0.600 peak 1694 spectrum 1 weight 0.11000E+01 volume 0.94227E-02 ppm1 1.529 ppm2 0.762 CV 1 ASSI { 1695} (( segid " " and resid 70 and name HG13)) (( segid " " and resid 70 and name HN )) 3.100 1.200 1.200 peak 1695 spectrum 1 weight 0.11000E+01 volume 0.11543E-02 ppm1 1.031 ppm2 6.746 CV 1 ASSI { 1696} (( segid " " and resid 70 and name HG13)) (( segid " " and resid 70 and name HA )) 3.200 1.300 1.300 peak 1696 spectrum 1 weight 0.11000E+01 volume 0.88761E-03 ppm1 1.031 ppm2 4.218 CV 1 ASSI { 1697} (( segid " " and resid 70 and name HG13)) (( segid " " and resid 70 and name HB )) 2.600 0.900 0.900 peak 1697 spectrum 1 weight 0.11000E+01 volume 0.28618E-02 ppm1 1.031 ppm2 1.671 CV 1 ASSI { 1701} (( segid " " and resid 70 and name HG13)) ( segid " " and resid 70 and name HD1%) 2.400 0.700 0.700 peak 1701 spectrum 1 weight 0.11000E+01 volume 0.49744E-02 ppm1 1.031 ppm2 0.762 CV 1 ASSI { 1711} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.700 0.900 0.900 peak 1711 spectrum 1 weight 0.11000E+01 volume 0.25769E-02 ppm1 4.552 ppm2 1.985 CV 1 ASSI { 1712} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB3 )) 2.400 0.700 0.700 peak 1712 spectrum 1 weight 0.11000E+01 volume 0.46763E-02 ppm1 4.552 ppm2 1.737 CV 1 ASSI { 1715} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HN )) 3.400 1.500 1.500 peak 1715 spectrum 1 weight 0.11000E+01 volume 0.62425E-03 ppm1 1.985 ppm2 8.004 CV 1 ASSI { 1718} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB3 )) 2.000 0.500 0.500 peak 1718 spectrum 1 weight 0.11000E+01 volume 0.17060E-01 ppm1 1.985 ppm2 1.737 CV 1 ASSI { 1719} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HG2 )) 2.000 0.500 0.500 peak 1719 spectrum 1 weight 0.11000E+01 volume 0.17060E-01 ppm1 1.985 ppm2 1.768 CV 1 ASSI { 1725} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 71 and name HG2 )) 1.700 1.700 4.300 peak 1725 spectrum 1 weight 0.11000E+01 volume 0.47813E-01 ppm1 1.737 ppm2 1.768 CV 1 ASSI { 1728} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HA )) 2.900 1.100 1.100 peak 1728 spectrum 1 weight 0.11000E+01 volume 0.15107E-02 ppm1 1.768 ppm2 4.552 CV 1 ASSI { 1733} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HN )) 4.300 2.300 1.700 peak 1733 spectrum 1 weight 0.11000E+01 volume 0.15376E-03 ppm1 3.305 ppm2 8.004 CV 1 ASSI { 1734} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HA )) 3.400 1.400 1.400 peak 1734 spectrum 1 weight 0.11000E+01 volume 0.67395E-03 ppm1 3.305 ppm2 4.552 CV 1 ASSI { 1735} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HB2 )) 2.900 1.000 1.000 peak 1735 spectrum 1 weight 0.11000E+01 volume 0.17468E-02 ppm1 3.305 ppm2 1.985 CV 1 ASSI { 1736} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HB3 )) 2.600 0.800 0.800 peak 1736 spectrum 1 weight 0.11000E+01 volume 0.34098E-02 ppm1 3.305 ppm2 1.737 CV 1 ASSI { 1737} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HG2 )) 2.500 0.800 0.800 peak 1737 spectrum 1 weight 0.11000E+01 volume 0.41663E-02 ppm1 3.305 ppm2 1.768 CV 1 ASSI { 1741} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 2.400 0.700 0.700 peak 1741 spectrum 1 weight 0.11000E+01 volume 0.47427E-02 ppm1 3.899 ppm2 1.922 CV 1 ASSI { 1742} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG2 )) 3.100 1.200 1.200 peak 1742 spectrum 1 weight 0.11000E+01 volume 0.11894E-02 ppm1 3.899 ppm2 1.793 CV 1 ASSI { 1744} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HD3 )) 3.200 1.300 1.300 peak 1744 spectrum 1 weight 0.11000E+01 volume 0.93061E-03 ppm1 3.899 ppm2 1.485 CV 1 ASSI { 1746} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HN )) 2.700 0.900 0.900 peak 1746 spectrum 1 weight 0.11000E+01 volume 0.27161E-02 ppm1 1.922 ppm2 8.571 CV 1 ASSI { 1750} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2 )) 2.400 0.700 0.700 peak 1750 spectrum 1 weight 0.11000E+01 volume 0.56172E-02 ppm1 1.922 ppm2 1.601 CV 1 ASSI { 1751} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD3 )) 2.700 0.900 0.900 peak 1751 spectrum 1 weight 0.11000E+01 volume 0.26862E-02 ppm1 1.922 ppm2 1.485 CV 1 ASSI { 1755} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HB2 )) 2.000 0.500 0.500 peak 1755 spectrum 1 weight 0.11000E+01 volume 0.15829E-01 ppm1 1.793 ppm2 1.922 CV 1 ASSI { 1757} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HD2 )) 2.000 0.500 0.500 peak 1757 spectrum 1 weight 0.11000E+01 volume 0.13490E-01 ppm1 1.793 ppm2 1.601 CV 1 ASSI { 1761} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HA )) 3.300 1.300 1.300 peak 1761 spectrum 1 weight 0.11000E+01 volume 0.79507E-03 ppm1 1.601 ppm2 3.899 CV 1 ASSI { 1765} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HD3 )) 2.000 0.500 0.500 peak 1765 spectrum 1 weight 0.11000E+01 volume 0.14743E-01 ppm1 1.601 ppm2 1.485 CV 1 ASSI { 1770} (( segid " " and resid 72 and name HD3 )) (( segid " " and resid 72 and name HG2 )) 2.400 0.700 0.700 peak 1770 spectrum 1 weight 0.11000E+01 volume 0.55312E-02 ppm1 1.485 ppm2 1.793 CV 1 ASSI { 1774} (( segid " " and resid 72 and name HE2 )) (( segid " " and resid 72 and name HN )) 4.000 2.000 2.000 peak 1774 spectrum 1 weight 0.11000E+01 volume 0.25543E-03 ppm1 3.058 ppm2 8.571 CV 1 ASSI { 1775} (( segid " " and resid 72 and name HE2 )) (( segid " " and resid 72 and name HA )) 3.500 1.500 1.500 peak 1775 spectrum 1 weight 0.11000E+01 volume 0.53155E-03 ppm1 3.058 ppm2 3.899 CV 1 ASSI { 1776} (( segid " " and resid 72 and name HE2 )) (( segid " " and resid 72 and name HB2 )) 3.600 1.600 1.600 peak 1776 spectrum 1 weight 0.11000E+01 volume 0.48651E-03 ppm1 3.058 ppm2 1.922 CV 1 ASSI { 1777} (( segid " " and resid 72 and name HE2 )) (( segid " " and resid 72 and name HG2 )) 2.300 0.700 0.700 peak 1777 spectrum 1 weight 0.11000E+01 volume 0.61638E-02 ppm1 3.058 ppm2 1.793 CV 1 ASSI { 1778} (( segid " " and resid 72 and name HE2 )) (( segid " " and resid 72 and name HD2 )) 2.600 0.900 0.900 peak 1778 spectrum 1 weight 0.11000E+01 volume 0.30630E-02 ppm1 3.058 ppm2 1.601 CV 1 ASSI { 1779} (( segid " " and resid 72 and name HE2 )) (( segid " " and resid 72 and name HD3 )) 2.600 0.900 0.900 peak 1779 spectrum 1 weight 0.11000E+01 volume 0.28479E-02 ppm1 3.058 ppm2 1.485 CV 1 ASSI { 1783} (( segid " " and resid 73 and name HA1 )) (( segid " " and resid 73 and name HA2 )) 2.100 0.500 0.500 peak 1783 spectrum 1 weight 0.11000E+01 volume 0.12593E-01 ppm1 4.380 ppm2 3.697 CV 1 ASSI { 1789} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.11000E+01 volume 0.20565E-02 ppm1 4.719 ppm2 2.894 CV 1 ASSI { 1790} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB3 )) 2.600 0.800 0.800 peak 1790 spectrum 1 weight 0.11000E+01 volume 0.33114E-02 ppm1 4.719 ppm2 2.770 CV 1 ASSI { 1794} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HB3 )) 2.200 0.600 0.600 peak 1794 spectrum 1 weight 0.11000E+01 volume 0.77830E-02 ppm1 2.894 ppm2 2.770 CV 1 ASSI { 1801} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.500 0.800 0.800 peak 1801 spectrum 1 weight 0.11000E+01 volume 0.39207E-02 ppm1 5.087 ppm2 1.694 CV 1 ASSI { 1802} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB3 )) 2.600 0.800 0.800 peak 1802 spectrum 1 weight 0.11000E+01 volume 0.34331E-02 ppm1 5.087 ppm2 0.965 CV 1 ASSI { 1803} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HG )) 3.100 1.200 1.200 peak 1803 spectrum 1 weight 0.11000E+01 volume 0.10552E-02 ppm1 5.087 ppm2 1.798 CV 1 ASSI { 1804} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HD1%) 3.100 1.200 1.200 peak 1804 spectrum 1 weight 0.11000E+01 volume 0.12236E-02 ppm1 5.087 ppm2 1.050 CV 1 ASSI { 1805} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HD2%) 2.400 0.700 0.700 peak 1805 spectrum 1 weight 0.11000E+01 volume 0.53724E-02 ppm1 5.087 ppm2 0.864 CV 1 ASSI { 1809} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HB3 )) 2.200 0.600 0.600 peak 1809 spectrum 1 weight 0.11000E+01 volume 0.98162E-02 ppm1 1.694 ppm2 0.965 CV 1 ASSI { 1811} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 75 and name HD1%) 2.100 0.600 0.600 peak 1811 spectrum 1 weight 0.11000E+01 volume 0.11157E-01 ppm1 1.694 ppm2 1.050 CV 1 ASSI { 1812} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 75 and name HD2%) 2.600 0.800 0.800 peak 1812 spectrum 1 weight 0.11000E+01 volume 0.34003E-02 ppm1 1.694 ppm2 0.864 CV 1 ASSI { 1813} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HN )) 3.200 1.300 1.300 peak 1813 spectrum 1 weight 0.11000E+01 volume 0.93353E-03 ppm1 0.965 ppm2 8.333 CV 1 ASSI { 1817} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HG )) 3.000 1.100 1.100 peak 1817 spectrum 1 weight 0.11000E+01 volume 0.13796E-02 ppm1 0.965 ppm2 1.798 CV 1 ASSI { 1822} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HB2 )) 2.200 0.600 0.600 peak 1822 spectrum 1 weight 0.11000E+01 volume 0.79653E-02 ppm1 1.798 ppm2 1.694 CV 1 ASSI { 1827} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HN )) 3.200 1.300 1.300 peak 1827 spectrum 1 weight 0.11000E+01 volume 0.90948E-03 ppm1 1.050 ppm2 8.333 CV 1 ASSI { 1830} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HB3 )) 1.900 0.400 0.400 peak 1830 spectrum 1 weight 0.11000E+01 volume 0.24282E-01 ppm1 1.050 ppm2 0.965 CV 1 ASSI { 1831} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HG )) 2.500 0.800 0.800 peak 1831 spectrum 1 weight 0.11000E+01 volume 0.44118E-02 ppm1 1.050 ppm2 1.798 CV 1 ASSI { 1833} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 75 and name HD2%) 2.100 0.600 0.600 peak 1833 spectrum 1 weight 0.11000E+01 volume 0.10480E-01 ppm1 1.050 ppm2 0.864 CV 1 ASSI { 1837} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB3 )) 2.300 0.700 0.700 peak 1837 spectrum 1 weight 0.11000E+01 volume 0.69413E-02 ppm1 0.864 ppm2 0.965 CV 1 ASSI { 1838} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HG )) 2.500 0.800 0.800 peak 1838 spectrum 1 weight 0.11000E+01 volume 0.35832E-02 ppm1 0.864 ppm2 1.798 CV 1 ASSI { 1841} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HN )) 2.300 0.700 0.700 peak 1841 spectrum 1 weight 0.11000E+01 volume 0.58927E-02 ppm1 5.031 ppm2 8.971 CV 1 ASSI { 1844} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB3 )) 2.800 0.900 0.900 peak 1844 spectrum 1 weight 0.11000E+01 volume 0.22621E-02 ppm1 5.031 ppm2 1.188 CV 1 ASSI { 1845} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG )) 3.000 1.100 1.100 peak 1845 spectrum 1 weight 0.11000E+01 volume 0.14043E-02 ppm1 5.031 ppm2 1.589 CV 1 ASSI { 1846} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HD1%) 2.500 0.800 0.800 peak 1846 spectrum 1 weight 0.11000E+01 volume 0.36721E-02 ppm1 5.031 ppm2 0.753 CV 1 ASSI { 1848} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HA )) 2.700 0.900 0.900 peak 1848 spectrum 1 weight 0.11000E+01 volume 0.23816E-02 ppm1 1.677 ppm2 5.031 CV 1 ASSI { 1851} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HG )) 2.400 0.700 0.700 peak 1851 spectrum 1 weight 0.11000E+01 volume 0.53060E-02 ppm1 1.677 ppm2 1.589 CV 1 ASSI { 1852} (( segid " " and resid 76 and name HB2 )) ( segid " " and resid 76 and name HD1%) 2.400 0.700 0.700 peak 1852 spectrum 1 weight 0.11000E+01 volume 0.46436E-02 ppm1 1.677 ppm2 0.753 CV 1 ASSI { 1855} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 76 and name HB2 )) 2.300 0.600 0.600 peak 1855 spectrum 1 weight 0.11000E+01 volume 0.71199E-02 ppm1 1.188 ppm2 1.677 CV 1 ASSI { 1857} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 76 and name HG )) 2.800 1.000 1.000 peak 1857 spectrum 1 weight 0.11000E+01 volume 0.21993E-02 ppm1 1.188 ppm2 1.589 CV 1 ASSI { 1858} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 76 and name HD1%) 2.400 0.800 0.800 peak 1858 spectrum 1 weight 0.11000E+01 volume 0.45576E-02 ppm1 1.188 ppm2 0.753 CV 1 ASSI { 1864} (( segid " " and resid 76 and name HG )) ( segid " " and resid 76 and name HD1%) 2.200 0.600 0.600 peak 1864 spectrum 1 weight 0.11000E+01 volume 0.82568E-02 ppm1 1.589 ppm2 0.753 CV 1 ASSI { 1873} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) 2.700 0.900 0.900 peak 1873 spectrum 1 weight 0.11000E+01 volume 0.25565E-02 ppm1 5.088 ppm2 3.051 CV 1 ASSI { 1879} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB2 )) 3.000 1.200 1.200 peak 1879 spectrum 1 weight 0.11000E+01 volume 0.12484E-02 ppm1 5.168 ppm2 1.942 CV 1 ASSI { 1880} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB3 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.11000E+01 volume 0.15945E-02 ppm1 5.168 ppm2 1.329 CV 1 ASSI { 1881} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HG )) 2.500 0.800 0.800 peak 1881 spectrum 1 weight 0.11000E+01 volume 0.43848E-02 ppm1 5.168 ppm2 0.920 CV 1 ASSI { 1882} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HD1%) 2.400 0.700 0.700 peak 1882 spectrum 1 weight 0.11000E+01 volume 0.50080E-02 ppm1 5.168 ppm2 0.949 CV 1 ASSI { 1886} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HB3 )) 2.300 0.600 0.600 peak 1886 spectrum 1 weight 0.11000E+01 volume 0.71009E-02 ppm1 1.942 ppm2 1.329 CV 1 ASSI { 1887} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HG )) 2.500 0.800 0.800 peak 1887 spectrum 1 weight 0.11000E+01 volume 0.43390E-02 ppm1 1.942 ppm2 0.920 CV 1 ASSI { 1888} (( segid " " and resid 78 and name HB2 )) ( segid " " and resid 78 and name HD1%) 2.500 0.800 0.800 peak 1888 spectrum 1 weight 0.11000E+01 volume 0.41138E-02 ppm1 1.942 ppm2 0.949 CV 1 ASSI { 1893} (( segid " " and resid 78 and name HB3 )) (( segid " " and resid 78 and name HG )) 2.400 0.700 0.700 peak 1893 spectrum 1 weight 0.11000E+01 volume 0.57564E-02 ppm1 1.329 ppm2 0.920 CV 1 ASSI { 1894} (( segid " " and resid 78 and name HB3 )) ( segid " " and resid 78 and name HD1%) 2.400 0.700 0.700 peak 1894 spectrum 1 weight 0.11000E+01 volume 0.51333E-02 ppm1 1.329 ppm2 0.949 CV 1 ASSI { 1895} (( segid " " and resid 78 and name HG )) (( segid " " and resid 78 and name HN )) 3.200 1.200 1.200 peak 1895 spectrum 1 weight 0.11000E+01 volume 0.98600E-03 ppm1 0.920 ppm2 8.645 CV 1 ASSI { 1900} (( segid " " and resid 78 and name HG )) ( segid " " and resid 78 and name HD1%) 1.400 0.300 0.800 peak 1900 spectrum 1 weight 0.11000E+01 volume 0.11747E+00 ppm1 0.920 ppm2 0.949 CV 1 ASSI { 1911} ( segid " " and resid 79 and name HB% ) (( segid " " and resid 79 and name HA )) 2.200 0.600 0.600 peak 1911 spectrum 1 weight 0.11000E+01 volume 0.78996E-02 ppm1 1.492 ppm2 4.695 CV 1 ASSI { 1915} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB2 )) 2.600 0.800 0.800 peak 1915 spectrum 1 weight 0.11000E+01 volume 0.33114E-02 ppm1 4.916 ppm2 3.860 CV 1 ASSI { 1919} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HN )) 2.300 0.600 0.600 peak 1919 spectrum 1 weight 0.11000E+01 volume 0.71476E-02 ppm1 4.671 ppm2 8.456 CV 1 ASSI { 1921} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB2 )) 2.200 0.600 0.600 peak 1921 spectrum 1 weight 0.11000E+01 volume 0.78122E-02 ppm1 4.671 ppm2 3.061 CV 1 ASSI { 1925} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HN )) 3.000 1.100 1.100 peak 1925 spectrum 1 weight 0.11000E+01 volume 0.13744E-02 ppm1 4.515 ppm2 8.199 CV 1 ASSI { 1929} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HA )) 2.400 0.700 0.700 peak 1929 spectrum 1 weight 0.11000E+01 volume 0.48418E-02 ppm1 3.824 ppm2 4.515 CV 1 ASSI { 1933} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB )) 2.900 1.000 1.000 peak 1933 spectrum 1 weight 0.11000E+01 volume 0.18146E-02 ppm1 4.224 ppm2 1.909 CV 1 ASSI { 1934} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HG2%) 2.600 0.900 0.900 peak 1934 spectrum 1 weight 0.11000E+01 volume 0.29558E-02 ppm1 4.224 ppm2 0.989 CV 1 ASSI { 1935} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HG12)) 2.900 2.900 3.100 peak 1935 spectrum 1 weight 0.11000E+01 volume 0.15763E-02 ppm1 4.224 ppm2 1.507 CV 1 ASSI { 1936} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HG13)) 3.300 1.400 1.400 peak 1936 spectrum 1 weight 0.11000E+01 volume 0.72948E-03 ppm1 4.224 ppm2 1.251 CV 1 OR { 1936} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HG12)) ASSI { 1937} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HD1%) 2.400 0.700 0.700 peak 1937 spectrum 1 weight 0.11000E+01 volume 0.46960E-02 ppm1 4.224 ppm2 0.943 CV 1 ASSI { 1942} (( segid " " and resid 83 and name HB )) (( segid " " and resid 83 and name HG12)) 3.500 3.500 2.500 peak 1942 spectrum 1 weight 0.11000E+01 volume 0.57462E-03 ppm1 1.909 ppm2 1.507 CV 1 ASSI { 1943} (( segid " " and resid 83 and name HB )) (( segid " " and resid 83 and name HG13)) 3.700 1.700 1.700 peak 1943 spectrum 1 weight 0.11000E+01 volume 0.41626E-03 ppm1 1.909 ppm2 1.251 CV 1 OR { 1943} (( segid " " and resid 83 and name HB )) (( segid " " and resid 83 and name HG12)) ASSI { 1944} (( segid " " and resid 83 and name HB )) ( segid " " and resid 83 and name HD1%) 2.900 1.100 1.100 peak 1944 spectrum 1 weight 0.11000E+01 volume 0.15945E-02 ppm1 1.909 ppm2 0.943 CV 1 ASSI { 1945} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 83 and name HN )) 3.700 1.800 1.800 peak 1945 spectrum 1 weight 0.11000E+01 volume 0.35519E-03 ppm1 0.989 ppm2 8.268 CV 1 ASSI { 1947} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 83 and name HB )) 2.600 0.800 0.800 peak 1947 spectrum 1 weight 0.11000E+01 volume 0.34098E-02 ppm1 0.989 ppm2 1.909 CV 1 ASSI { 1949} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 83 and name HG12)) 3.300 3.300 2.700 peak 1949 spectrum 1 weight 0.11000E+01 volume 0.76592E-03 ppm1 0.989 ppm2 1.507 CV 1 ASSI { 1958} (( segid " " and resid 83 and name HG12)) ( segid " " and resid 83 and name HD1%) 2.300 2.300 3.700 peak 1958 spectrum 1 weight 0.11000E+01 volume 0.68758E-02 ppm1 1.507 ppm2 0.943 CV 1 ASSI { 1962} (( segid " " and resid 83 and name HG12)) ( segid " " and resid 83 and name HG2%) 2.700 0.900 0.900 peak 1962 spectrum 1 weight 0.11000E+01 volume 0.23451E-02 ppm1 1.251 ppm2 0.989 CV 1 OR { 1962} (( segid " " and resid 83 and name HG13)) ( segid " " and resid 83 and name HG2%) ASSI { 1969} ( segid " " and resid 83 and name HD1%) ( segid " " and resid 83 and name HG2%) 1.400 0.200 0.800 peak 1969 spectrum 1 weight 0.11000E+01 volume 0.14371E+00 ppm1 0.943 ppm2 0.989 CV 1 ASSI { 1971} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 83 and name HG13)) 2.500 0.800 0.800 peak 1971 spectrum 1 weight 0.11000E+01 volume 0.36816E-02 ppm1 0.943 ppm2 1.251 CV 1 OR { 1971} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 83 and name HG12)) ASSI { 1973} (( segid " " and resid 84 and name HA1 )) (( segid " " and resid 84 and name HN )) 3.400 1.500 1.500 peak 1973 spectrum 1 weight 0.11000E+01 volume 0.59859E-03 ppm1 4.031 ppm2 8.375 CV 1 ASSI { 1975} (( segid " " and resid 21 and name HA )) (( segid " " and resid 13 and name HA )) 2.700 0.900 0.900 peak 1975 spectrum 1 weight 0.11000E+01 volume 0.24639E-02 ppm1 5.414 ppm2 4.565 CV 1 ASSI { 1976} (( segid " " and resid 64 and name HA )) (( segid " " and resid 31 and name HA )) 2.300 0.700 0.700 peak 1976 spectrum 1 weight 0.11000E+01 volume 0.58832E-02 ppm1 5.311 ppm2 5.184 CV 1 ASSI { 1978} (( segid " " and resid 11 and name HA )) (( segid " " and resid 23 and name HA )) 2.700 0.900 0.900 peak 1978 spectrum 1 weight 0.11000E+01 volume 0.24675E-02 ppm1 5.412 ppm2 4.486 CV 1 ASSI { 1979} (( segid " " and resid 53 and name HA )) (( segid " " and resid 58 and name HA )) 2.500 0.800 0.800 peak 1979 spectrum 1 weight 0.11000E+01 volume 0.45110E-02 ppm1 5.192 ppm2 4.651 CV 1 ASSI { 1981} (( segid " " and resid 52 and name HA )) (( segid " " and resid 78 and name HA )) 2.600 0.900 0.900 peak 1981 spectrum 1 weight 0.11000E+01 volume 0.28479E-02 ppm1 5.329 ppm2 5.168 CV 1 ASSI { 1983} (( segid " " and resid 27 and name HA )) (( segid " " and resid 7 and name HA )) 2.500 0.800 0.800 peak 1983 spectrum 1 weight 0.11000E+01 volume 0.36437E-02 ppm1 4.962 ppm2 4.225 CV 1 ASSI { 1985} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) 2.400 0.700 0.700 peak 1985 spectrum 1 weight 0.11000E+01 volume 0.54117E-02 ppm1 5.098 ppm2 9.202 CV 1 ASSI { 1993} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) 2.900 1.100 1.100 peak 1993 spectrum 1 weight 0.11000E+01 volume 0.15085E-02 ppm1 4.187 ppm2 8.005 CV 1 ASSI { 1999} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HN )) 3.500 1.500 1.500 peak 1999 spectrum 1 weight 0.11000E+01 volume 0.54976E-03 ppm1 3.964 ppm2 7.971 CV 1 ASSI { 2001} (( segid " " and resid 40 and name HA )) (( segid " " and resid 45 and name HN )) 3.000 1.100 1.100 peak 2001 spectrum 1 weight 0.11000E+01 volume 0.13481E-02 ppm1 3.964 ppm2 7.727 CV 1 ASSI { 2005} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) 3.100 1.200 1.200 peak 2005 spectrum 1 weight 0.11000E+01 volume 0.11325E-02 ppm1 4.217 ppm2 7.956 CV 1 ASSI { 2016} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HN )) 3.000 1.100 1.100 peak 2016 spectrum 1 weight 0.11000E+01 volume 0.14801E-02 ppm1 4.247 ppm2 7.812 CV 1 ASSI { 2017} (( segid " " and resid 70 and name HA )) (( segid " " and resid 71 and name HN )) 2.200 0.600 0.600 peak 2017 spectrum 1 weight 0.11000E+01 volume 0.83733E-02 ppm1 4.218 ppm2 8.004 CV 1 ASSI { 2032} (( segid " " and resid 1 and name HA1 )) (( segid " " and resid 2 and name HA )) 2.800 2.800 3.200 peak 2032 spectrum 1 weight 0.11000E+01 volume 0.20900E-02 ppm1 3.832 ppm2 4.433 CV 1 ASSI { 2033} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 22 and name HB2 )) 2.900 1.000 1.000 peak 2033 spectrum 1 weight 0.11000E+01 volume 0.16885E-02 ppm1 2.013 ppm2 2.932 CV 1 ASSI { 2035} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 22 and name HB2 )) 3.100 1.200 1.200 peak 2035 spectrum 1 weight 0.11000E+01 volume 0.11806E-02 ppm1 1.301 ppm2 2.948 CV 1 ASSI { 2038} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 12 and name HD2%) 3.500 1.500 1.500 peak 2038 spectrum 1 weight 0.11000E+01 volume 0.52572E-03 ppm1 2.951 ppm2 0.723 CV 1 ASSI { 2039} (( segid " " and resid 12 and name HG )) (( segid " " and resid 22 and name HB2 )) 3.200 1.300 1.300 peak 2039 spectrum 1 weight 0.11000E+01 volume 0.98089E-03 ppm1 1.533 ppm2 2.959 CV 1 ASSI { 2042} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HG2 )) 3.200 1.300 1.300 peak 2042 spectrum 1 weight 0.11000E+01 volume 0.87086E-03 ppm1 3.896 ppm2 2.989 CV 1 ASSI { 2043} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HB2 )) 2.900 1.100 1.100 peak 2043 spectrum 1 weight 0.11000E+01 volume 0.16135E-02 ppm1 3.896 ppm2 2.549 CV 1 ASSI { 2046} (( segid " " and resid 32 and name HA )) (( segid " " and resid 35 and name HB )) 2.700 0.900 0.900 peak 2046 spectrum 1 weight 0.11000E+01 volume 0.25565E-02 ppm1 3.593 ppm2 2.269 CV 1 ASSI { 2048} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 39 and name HA )) 3.500 3.500 2.500 peak 2048 spectrum 1 weight 0.11000E+01 volume 0.52244E-03 ppm1 1.581 ppm2 3.306 CV 1 ASSI { 2053} (( segid " " and resid 14 and name HA )) (( segid " " and resid 78 and name HN )) 2.500 0.800 0.800 peak 2053 spectrum 1 weight 0.11000E+01 volume 0.40329E-02 ppm1 4.611 ppm2 8.645 CV 1 ASSI { 2054} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 77 and name HN )) 2.900 2.900 3.100 peak 2054 spectrum 1 weight 0.11000E+01 volume 0.16273E-02 ppm1 3.007 ppm2 8.969 CV 1 ASSI { 2056} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 77 and name HA )) 2.900 1.100 1.100 peak 2056 spectrum 1 weight 0.11000E+01 volume 0.16273E-02 ppm1 3.007 ppm2 5.083 CV 1 ASSI { 2057} (( segid " " and resid 77 and name HB3 )) ( segid " " and resid 77 and name HD% ) 3.000 1.200 1.200 peak 2057 spectrum 1 weight 0.11000E+01 volume 0.12586E-02 ppm1 3.007 ppm2 7.258 CV 1 ASSI { 2059} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 68 and name HE% ) 3.800 1.800 1.800 peak 2059 spectrum 1 weight 0.11000E+01 volume 0.33946E-03 ppm1 3.398 ppm2 6.776 CV 1 ASSI { 2062} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 53 and name HN )) 3.600 1.600 1.600 peak 2062 spectrum 1 weight 0.11000E+01 volume 0.43616E-03 ppm1 3.007 ppm2 9.143 CV 1 ASSI { 2063} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 78 and name HN )) 3.700 1.700 1.700 peak 2063 spectrum 1 weight 0.11000E+01 volume 0.41451E-03 ppm1 3.007 ppm2 8.645 CV 1 ASSI { 2067} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 53 and name HB )) 3.300 1.400 1.400 peak 2067 spectrum 1 weight 0.11000E+01 volume 0.73167E-03 ppm1 3.007 ppm2 3.875 CV 1 ASSI { 2068} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 53 and name HB )) 3.100 1.200 1.200 peak 2068 spectrum 1 weight 0.11000E+01 volume 0.10152E-02 ppm1 3.051 ppm2 3.868 CV 1 ASSI { 2070} (( segid " " and resid 68 and name HB3 )) ( segid " " and resid 68 and name HE% ) 3.800 1.800 1.800 peak 2070 spectrum 1 weight 0.11000E+01 volume 0.31795E-03 ppm1 2.760 ppm2 6.768 CV 1 ASSI { 2071} (( segid " " and resid 67 and name HB3 )) ( segid " " and resid 68 and name HD% ) 3.900 1.900 1.900 peak 2071 spectrum 1 weight 0.11000E+01 volume 0.27488E-03 ppm1 2.464 ppm2 7.282 CV 1 ASSI { 2072} (( segid " " and resid 67 and name HB3 )) ( segid " " and resid 68 and name HE% ) 3.900 1.900 1.900 peak 2072 spectrum 1 weight 0.11000E+01 volume 0.30221E-03 ppm1 2.464 ppm2 6.768 CV 1 ASSI { 2073} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 68 and name HD% ) 3.600 1.600 1.600 peak 2073 spectrum 1 weight 0.11000E+01 volume 0.45197E-03 ppm1 2.822 ppm2 7.282 CV 1 ASSI { 2074} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 68 and name HE% ) 3.700 1.700 1.700 peak 2074 spectrum 1 weight 0.11000E+01 volume 0.36532E-03 ppm1 2.822 ppm2 6.783 CV 1 ASSI { 2075} (( segid " " and resid 11 and name HB3 )) ( segid " " and resid 11 and name HD% ) 3.000 1.100 1.100 peak 2075 spectrum 1 weight 0.11000E+01 volume 0.12987E-02 ppm1 2.601 ppm2 7.025 CV 1 ASSI { 2077} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 63 and name HG2 )) 3.300 1.400 1.400 peak 2077 spectrum 1 weight 0.11000E+01 volume 0.71286E-03 ppm1 2.464 ppm2 1.727 CV 1 ASSI { 2079} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 63 and name HG2 )) 3.300 1.300 1.300 peak 2079 spectrum 1 weight 0.11000E+01 volume 0.79653E-03 ppm1 2.822 ppm2 1.736 CV 1 ASSI { 2081} (( segid " " and resid 57 and name HB2 )) ( segid " " and resid 68 and name HE% ) 3.100 1.200 1.200 peak 2081 spectrum 1 weight 0.11000E+01 volume 0.11754E-02 ppm1 2.089 ppm2 6.783 CV 1 ASSI { 2082} (( segid " " and resid 57 and name HB2 )) ( segid " " and resid 68 and name HD% ) 3.000 1.100 1.100 peak 2082 spectrum 1 weight 0.11000E+01 volume 0.13132E-02 ppm1 2.089 ppm2 7.297 CV 1 ASSI { 2083} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 68 and name HD% ) 4.100 4.100 1.900 peak 2083 spectrum 1 weight 0.11000E+01 volume 0.21513E-03 ppm1 2.412 ppm2 7.312 CV 1 ASSI { 2084} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 68 and name HE% ) 3.100 1.200 1.200 peak 2084 spectrum 1 weight 0.11000E+01 volume 0.11194E-02 ppm1 2.412 ppm2 6.768 CV 1 ASSI { 2085} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 68 and name HD% ) 3.500 3.500 2.500 peak 2085 spectrum 1 weight 0.11000E+01 volume 0.52076E-03 ppm1 2.505 ppm2 7.327 CV 1 ASSI { 2086} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 68 and name HE% ) 3.100 1.200 1.200 peak 2086 spectrum 1 weight 0.11000E+01 volume 0.11908E-02 ppm1 2.505 ppm2 6.768 CV 1 ASSI { 2087} ( segid " " and resid 54 and name HD2%) ( segid " " and resid 59 and name HD1%) 2.800 1.000 1.000 peak 2087 spectrum 1 weight 0.11000E+01 volume 0.21891E-02 ppm1 0.794 ppm2 0.534 CV 1 ASSI { 2088} ( segid " " and resid 54 and name HD2%) ( segid " " and resid 59 and name HD2%) 2.800 1.000 1.000 peak 2088 spectrum 1 weight 0.11000E+01 volume 0.20091E-02 ppm1 0.794 ppm2 0.116 CV 1 ASSI { 2089} (( segid " " and resid 59 and name HG )) ( segid " " and resid 54 and name HD2%) 2.500 0.800 0.800 peak 2089 spectrum 1 weight 0.11000E+01 volume 0.38638E-02 ppm1 1.275 ppm2 0.801 CV 1 ASSI { 2091} ( segid " " and resid 59 and name HD1%) ( segid " " and resid 54 and name HD1%) 2.800 2.800 3.200 peak 2091 spectrum 1 weight 0.11000E+01 volume 0.22125E-02 ppm1 0.532 ppm2 0.945 CV 1 ASSI { 2092} ( segid " " and resid 59 and name HD1%) (( segid " " and resid 54 and name HG )) 2.900 1.100 1.100 peak 2092 spectrum 1 weight 0.11000E+01 volume 0.15340E-02 ppm1 0.532 ppm2 1.630 CV 1 ASSI { 2097} ( segid " " and resid 79 and name HB% ) (( segid " " and resid 51 and name HB )) 2.400 0.700 0.700 peak 2097 spectrum 1 weight 0.11000E+01 volume 0.56107E-02 ppm1 1.492 ppm2 1.781 CV 1 ASSI { 2098} ( segid " " and resid 51 and name HG2%) ( segid " " and resid 79 and name HB% ) 2.400 0.700 0.700 peak 2098 spectrum 1 weight 0.11000E+01 volume 0.53854E-02 ppm1 0.784 ppm2 1.477 CV 1 ASSI { 2100} ( segid " " and resid 51 and name HD1%) ( segid " " and resid 79 and name HB% ) 2.200 2.200 3.800 peak 2100 spectrum 1 weight 0.11000E+01 volume 0.89928E-02 ppm1 0.727 ppm2 1.455 CV 1 ASSI { 2103} (( segid " " and resid 77 and name HA )) ( segid " " and resid 13 and name HG1%) 3.200 1.300 1.300 peak 2103 spectrum 1 weight 0.11000E+01 volume 0.96049E-03 ppm1 5.088 ppm2 0.983 CV 1 ASSI { 2105} (( segid " " and resid 77 and name HA )) (( segid " " and resid 13 and name HB )) 2.900 1.000 1.000 peak 2105 spectrum 1 weight 0.11000E+01 volume 0.17235E-02 ppm1 5.088 ppm2 1.747 CV 1 ASSI { 2106} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 77 and name HA )) 2.700 0.900 0.900 peak 2106 spectrum 1 weight 0.11000E+01 volume 0.23582E-02 ppm1 0.632 ppm2 5.082 CV 1 ASSI { 2107} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 21 and name HA )) 3.200 1.300 1.300 peak 2107 spectrum 1 weight 0.11000E+01 volume 0.89126E-03 ppm1 0.632 ppm2 5.409 CV 1 ASSI { 2108} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 11 and name HB2 )) 3.000 1.100 1.100 peak 2108 spectrum 1 weight 0.11000E+01 volume 0.13147E-02 ppm1 0.632 ppm2 2.788 CV 1 ASSI { 2109} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 11 and name HB3 )) 3.400 1.400 1.400 peak 2109 spectrum 1 weight 0.11000E+01 volume 0.63919E-03 ppm1 0.632 ppm2 2.601 CV 1 ASSI { 2111} (( segid " " and resid 11 and name HA )) ( segid " " and resid 11 and name HD% ) 3.000 1.100 1.100 peak 2111 spectrum 1 weight 0.11000E+01 volume 0.13132E-02 ppm1 5.412 ppm2 6.997 CV 1 ASSI { 2112} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 38 and name HA )) 2.800 1.000 1.000 peak 2112 spectrum 1 weight 0.11000E+01 volume 0.20864E-02 ppm1 1.369 ppm2 4.246 CV 1 ASSI { 2116} ( segid " " and resid 59 and name HD2%) (( segid " " and resid 54 and name HB3 )) 2.500 0.800 0.800 peak 2116 spectrum 1 weight 0.11000E+01 volume 0.39629E-02 ppm1 0.120 ppm2 1.206 CV 1 ASSI { 2117} ( segid " " and resid 59 and name HD2%) (( segid " " and resid 54 and name HB2 )) 2.800 1.000 1.000 peak 2117 spectrum 1 weight 0.11000E+01 volume 0.20186E-02 ppm1 0.120 ppm2 1.694 CV 1 ASSI { 2118} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 59 and name HD1%) 3.400 1.500 1.500 peak 2118 spectrum 1 weight 0.11000E+01 volume 0.62096E-03 ppm1 1.691 ppm2 0.529 CV 1 ASSI { 2119} (( segid " " and resid 54 and name HB3 )) ( segid " " and resid 59 and name HD1%) 3.400 1.500 1.500 peak 2119 spectrum 1 weight 0.11000E+01 volume 0.62264E-03 ppm1 1.202 ppm2 0.536 CV 1 ASSI { 2120} ( segid " " and resid 32 and name HG1%) ( segid " " and resid 59 and name HD2%) 2.800 1.000 1.000 peak 2120 spectrum 1 weight 0.11000E+01 volume 0.19042E-02 ppm1 1.090 ppm2 0.118 CV 1 ASSI { 2122} ( segid " " and resid 32 and name HG2%) ( segid " " and resid 59 and name HD2%) 3.200 3.200 2.800 peak 2122 spectrum 1 weight 0.11000E+01 volume 0.93644E-03 ppm1 0.769 ppm2 0.129 CV 1 ASSI { 2124} ( segid " " and resid 54 and name HD1%) ( segid " " and resid 59 and name HD2%) 3.200 1.300 1.300 peak 2124 spectrum 1 weight 0.11000E+01 volume 0.92478E-03 ppm1 0.935 ppm2 0.121 CV 1 ASSI { 2126} ( segid " " and resid 59 and name HD2%) (( segid " " and resid 52 and name HB )) 2.600 0.800 0.800 peak 2126 spectrum 1 weight 0.11000E+01 volume 0.32130E-02 ppm1 0.120 ppm2 1.788 CV 1 ASSI { 2128} ( segid " " and resid 59 and name HD2%) ( segid " " and resid 52 and name HG2%) 2.300 0.700 0.700 peak 2128 spectrum 1 weight 0.11000E+01 volume 0.60421E-02 ppm1 0.120 ppm2 0.784 CV 1 ASSI { 2129} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 47 and name HD2 )) 2.800 1.000 1.000 peak 2129 spectrum 1 weight 0.11000E+01 volume 0.18452E-02 ppm1 1.148 ppm2 3.975 CV 1 ASSI { 2130} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 47 and name HD3 )) 2.900 1.000 1.000 peak 2130 spectrum 1 weight 0.11000E+01 volume 0.18029E-02 ppm1 1.148 ppm2 3.738 CV 1 ASSI { 2132} (( segid " " and resid 47 and name HD3 )) ( segid " " and resid 46 and name HD1%) 3.400 1.400 1.400 peak 2132 spectrum 1 weight 0.11000E+01 volume 0.67482E-03 ppm1 3.733 ppm2 0.983 CV 1 ASSI { 2133} (( segid " " and resid 47 and name HD3 )) (( segid " " and resid 46 and name HA )) 2.600 0.800 0.800 peak 2133 spectrum 1 weight 0.11000E+01 volume 0.31992E-02 ppm1 3.733 ppm2 4.375 CV 1 ASSI { 2137} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 50 and name HG2 )) 2.600 0.900 0.900 peak 2137 spectrum 1 weight 0.11000E+01 volume 0.30630E-02 ppm1 0.874 ppm2 2.581 CV 1 ASSI { 2139} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 50 and name HG3 )) 2.700 0.900 0.900 peak 2139 spectrum 1 weight 0.11000E+01 volume 0.28217E-02 ppm1 0.874 ppm2 1.746 CV 1 ASSI { 2141} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 50 and name HB2 )) 3.300 1.400 1.400 peak 2141 spectrum 1 weight 0.11000E+01 volume 0.71118E-03 ppm1 0.874 ppm2 1.976 CV 1 ASSI { 2142} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 50 and name HB3 )) 3.300 1.400 1.400 peak 2142 spectrum 1 weight 0.11000E+01 volume 0.75425E-03 ppm1 0.874 ppm2 1.861 CV 1 ASSI { 2146} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 70 and name HD1%) 3.000 3.000 3.000 peak 2146 spectrum 1 weight 0.11000E+01 volume 0.13198E-02 ppm1 3.398 ppm2 0.780 CV 1 ASSI { 2147} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 68 and name HB2 )) 3.400 1.400 1.400 peak 2147 spectrum 1 weight 0.11000E+01 volume 0.64166E-03 ppm1 0.935 ppm2 3.393 CV 1 ASSI { 2148} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 68 and name HB3 )) 3.200 1.300 1.300 peak 2148 spectrum 1 weight 0.11000E+01 volume 0.87814E-03 ppm1 0.935 ppm2 2.764 CV 1 ASSI { 2150} (( segid " " and resid 68 and name HB3 )) ( segid " " and resid 70 and name HD1%) 3.100 3.100 2.900 peak 2150 spectrum 1 weight 0.11000E+01 volume 0.11325E-02 ppm1 2.760 ppm2 0.780 CV 1 ASSI { 2152} (( segid " " and resid 65 and name HB2 )) ( segid " " and resid 70 and name HD1%) 3.200 1.300 1.300 peak 2152 spectrum 1 weight 0.11000E+01 volume 0.96705E-03 ppm1 2.453 ppm2 0.760 CV 1 ASSI { 2153} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 65 and name HB3 )) 2.600 0.800 0.800 peak 2153 spectrum 1 weight 0.11000E+01 volume 0.34892E-02 ppm1 0.935 ppm2 1.850 CV 1 ASSI { 2154} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 65 and name HB2 )) 3.300 1.300 1.300 peak 2154 spectrum 1 weight 0.11000E+01 volume 0.83588E-03 ppm1 0.935 ppm2 2.445 CV 1 ASSI { 2155} (( segid " " and resid 65 and name HG2 )) ( segid " " and resid 70 and name HG2%) 3.400 3.400 2.600 peak 2155 spectrum 1 weight 0.11000E+01 volume 0.66899E-03 ppm1 2.508 ppm2 0.922 CV 1 ASSI { 2156} (( segid " " and resid 65 and name HG2 )) ( segid " " and resid 70 and name HD1%) 3.100 1.200 1.200 peak 2156 spectrum 1 weight 0.11000E+01 volume 0.10749E-02 ppm1 2.508 ppm2 0.766 CV 1 ASSI { 2157} ( segid " " and resid 70 and name HG2%) ( segid " " and resid 59 and name HD1%) 3.400 1.400 1.400 peak 2157 spectrum 1 weight 0.11000E+01 volume 0.67482E-03 ppm1 0.935 ppm2 0.541 CV 1 ASSI { 2159} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 56 and name HA2 )) 3.100 1.200 1.200 peak 2159 spectrum 1 weight 0.11000E+01 volume 0.11477E-02 ppm1 1.024 ppm2 3.627 CV 1 ASSI { 2160} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 56 and name HA1 )) 3.100 3.100 2.900 peak 2160 spectrum 1 weight 0.11000E+01 volume 0.10152E-02 ppm1 1.024 ppm2 4.273 CV 1 ASSI { 2163} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 36 and name HE3 )) 4.500 2.500 1.500 peak 2163 spectrum 1 weight 0.11000E+01 volume 0.11820E-03 ppm1 0.778 ppm2 2.581 CV 1 ASSI { 2164} (( segid " " and resid 36 and name HE3 )) ( segid " " and resid 52 and name HG1%) 3.300 1.300 1.300 peak 2164 spectrum 1 weight 0.11000E+01 volume 0.82203E-03 ppm1 2.573 ppm2 0.936 CV 1 ASSI { 2167} (( segid " " and resid 36 and name HE2 )) ( segid " " and resid 52 and name HG2%) 3.000 3.000 3.000 peak 2167 spectrum 1 weight 0.11000E+01 volume 0.14633E-02 ppm1 2.841 ppm2 0.746 CV 1 ASSI { 2168} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 36 and name HE2 )) 3.000 1.100 1.100 peak 2168 spectrum 1 weight 0.11000E+01 volume 0.13744E-02 ppm1 0.943 ppm2 2.841 CV 1 ASSI { 2171} (( segid " " and resid 28 and name HD2 )) ( segid " " and resid 8 and name HD1%) 3.400 1.400 1.400 peak 2171 spectrum 1 weight 0.11000E+01 volume 0.67228E-03 ppm1 3.344 ppm2 0.724 CV 1 ASSI { 2172} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 58 and name HD2 )) 2.700 0.900 0.900 peak 2172 spectrum 1 weight 0.11000E+01 volume 0.25237E-02 ppm1 0.784 ppm2 3.228 CV 1 ASSI { 2175} (( segid " " and resid 38 and name HG3 )) ( segid " " and resid 37 and name HB% ) 5.200 5.200 0.800 peak 2175 spectrum 1 weight 0.11000E+01 volume 0.52470E-04 ppm1 2.703 ppm2 1.578 CV 1 ASSI { 2176} ( segid " " and resid 37 and name HB% ) (( segid " " and resid 38 and name HG2 )) 3.500 1.500 1.500 peak 2176 spectrum 1 weight 0.11000E+01 volume 0.58125E-03 ppm1 1.621 ppm2 2.982 CV 1 ASSI { 2177} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 23 and name HD1%) 3.100 3.100 2.900 peak 2177 spectrum 1 weight 0.11000E+01 volume 0.11624E-02 ppm1 2.052 ppm2 0.784 CV 1 ASSI { 2179} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 9 and name HB2 )) 2.700 0.900 0.900 peak 2179 spectrum 1 weight 0.11000E+01 volume 0.25404E-02 ppm1 0.587 ppm2 2.052 CV 1 ASSI { 2180} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 9 and name HB3 )) 2.500 0.800 0.800 peak 2180 spectrum 1 weight 0.11000E+01 volume 0.44184E-02 ppm1 0.587 ppm2 1.725 CV 1 ASSI { 2182} (( segid " " and resid 9 and name HB3 )) ( segid " " and resid 23 and name HD1%) 3.100 3.100 2.900 peak 2182 spectrum 1 weight 0.11000E+01 volume 0.11391E-02 ppm1 1.727 ppm2 0.781 CV 1 ASSI { 2183} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 42 and name HB3 )) 3.500 3.500 2.500 peak 2183 spectrum 1 weight 0.11000E+01 volume 0.51165E-03 ppm1 0.758 ppm2 1.304 CV 1 ASSI { 2184} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 24 and name HG )) 2.800 2.800 3.200 peak 2184 spectrum 1 weight 0.11000E+01 volume 0.21426E-02 ppm1 0.758 ppm2 1.580 CV 1 ASSI { 2186} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 39 and name HD1%) 3.000 1.100 1.100 peak 2186 spectrum 1 weight 0.11000E+01 volume 0.14007E-02 ppm1 1.581 ppm2 0.778 CV 1 ASSI { 2187} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 42 and name HB3 )) 2.900 2.900 3.100 peak 2187 spectrum 1 weight 0.11000E+01 volume 0.16979E-02 ppm1 0.907 ppm2 1.319 CV 1 ASSI { 2188} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 42 and name HB2 )) 2.600 0.900 0.900 peak 2188 spectrum 1 weight 0.11000E+01 volume 0.29179E-02 ppm1 0.907 ppm2 1.571 CV 1 ASSI { 2191} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 14 and name HN )) 3.400 1.500 1.500 peak 2191 spectrum 1 weight 0.11000E+01 volume 0.61106E-03 ppm1 0.632 ppm2 8.758 CV 1 ASSI { 2193} ( segid " " and resid 13 and name HG2%) ( segid " " and resid 77 and name HE% ) 3.300 1.300 1.300 peak 2193 spectrum 1 weight 0.11000E+01 volume 0.81475E-03 ppm1 0.632 ppm2 7.394 CV 1 ASSI { 2194} ( segid " " and resid 13 and name HG2%) ( segid " " and resid 77 and name HD% ) 3.400 1.400 1.400 peak 2194 spectrum 1 weight 0.11000E+01 volume 0.64334E-03 ppm1 0.632 ppm2 7.274 CV 1 ASSI { 2197} ( segid " " and resid 13 and name HG1%) ( segid " " and resid 77 and name HD% ) 3.100 1.200 1.200 peak 2197 spectrum 1 weight 0.11000E+01 volume 0.11208E-02 ppm1 0.983 ppm2 7.285 CV 1 ASSI { 2198} (( segid " " and resid 68 and name HA )) ( segid " " and resid 68 and name HD% ) 2.700 0.900 0.900 peak 2198 spectrum 1 weight 0.11000E+01 volume 0.24609E-02 ppm1 4.488 ppm2 7.293 CV 1 ASSI { 2199} (( segid " " and resid 68 and name HA )) ( segid " " and resid 68 and name HE% ) 3.600 1.600 1.600 peak 2199 spectrum 1 weight 0.11000E+01 volume 0.47311E-03 ppm1 4.488 ppm2 6.768 CV 1 ASSI { 2200} ( segid " " and resid 59 and name HD2%) ( segid " " and resid 68 and name HD% ) 3.100 1.200 1.200 peak 2200 spectrum 1 weight 0.11000E+01 volume 0.10684E-02 ppm1 0.120 ppm2 7.293 CV 1 ASSI { 2201} ( segid " " and resid 59 and name HD2%) ( segid " " and resid 68 and name HE% ) 3.100 1.200 1.200 peak 2201 spectrum 1 weight 0.11000E+01 volume 0.11674E-02 ppm1 0.120 ppm2 6.768 CV 1 ASSI { 2203} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 49 and name HA )) 3.300 1.400 1.400 peak 2203 spectrum 1 weight 0.11000E+01 volume 0.72948E-03 ppm1 3.061 ppm2 4.456 CV 1 ASSI { 2204} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 49 and name HB )) 3.600 3.600 2.400 peak 2204 spectrum 1 weight 0.11000E+01 volume 0.44730E-03 ppm1 3.061 ppm2 4.280 CV 1 ASSI { 2206} (( segid " " and resid 49 and name HB )) ( segid " " and resid 45 and name HG2%) 2.900 1.100 1.100 peak 2206 spectrum 1 weight 0.11000E+01 volume 0.15224E-02 ppm1 4.310 ppm2 0.867 CV 1 ASSI { 2210} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 58 and name HN )) 3.000 1.100 1.100 peak 2210 spectrum 1 weight 0.11000E+01 volume 0.14429E-02 ppm1 1.024 ppm2 8.721 CV 1 ASSI { 2211} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 58 and name HA )) 2.500 0.800 0.800 peak 2211 spectrum 1 weight 0.11000E+01 volume 0.38128E-02 ppm1 1.024 ppm2 4.651 CV 1 ASSI { 2212} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 58 and name HD2 )) 3.400 1.400 1.400 peak 2212 spectrum 1 weight 0.11000E+01 volume 0.65158E-03 ppm1 1.024 ppm2 3.231 CV 1 ASSI { 2215} (( segid " " and resid 77 and name HB3 )) ( segid " " and resid 53 and name HG2%) 3.800 1.800 1.800 peak 2215 spectrum 1 weight 0.11000E+01 volume 0.31133E-03 ppm1 3.007 ppm2 1.024 CV 1 ASSI { 2216} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 77 and name HB2 )) 3.500 1.600 1.600 peak 2216 spectrum 1 weight 0.11000E+01 volume 0.49417E-03 ppm1 1.024 ppm2 3.038 CV 1 ASSI { 2229} (( segid " " and resid 9 and name HD2 )) ( segid " " and resid 65 and name HE% ) 3.300 3.300 2.700 peak 2229 spectrum 1 weight 0.11000E+01 volume 0.78996E-03 ppm1 3.914 ppm2 1.812 CV 1 ASSI { 2230} (( segid " " and resid 9 and name HD3 )) ( segid " " and resid 65 and name HE% ) 3.000 3.000 3.000 peak 2230 spectrum 1 weight 0.11000E+01 volume 0.12571E-02 ppm1 3.602 ppm2 1.812 CV 1 ASSI { 2242} ( segid " " and resid 66 and name HB% ) ( segid " " and resid 64 and name HE% ) 3.100 1.200 1.200 peak 2242 spectrum 1 weight 0.11000E+01 volume 0.11062E-02 ppm1 1.515 ppm2 2.142 CV 1 ASSI { 2244} ( segid " " and resid 66 and name HB% ) (( segid " " and resid 64 and name HG2 )) 3.600 1.600 1.600 peak 2244 spectrum 1 weight 0.11000E+01 volume 0.45372E-03 ppm1 1.515 ppm2 2.809 CV 1 ASSI { 2245} ( segid " " and resid 66 and name HB% ) (( segid " " and resid 64 and name HG3 )) 3.800 1.800 1.800 peak 2245 spectrum 1 weight 0.11000E+01 volume 0.34237E-03 ppm1 1.515 ppm2 2.676 CV 1 ASSI { 2246} ( segid " " and resid 66 and name HB% ) (( segid " " and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 2246 spectrum 1 weight 0.11000E+01 volume 0.10502E-02 ppm1 1.515 ppm2 2.295 CV 1 ASSI { 2252} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 35 and name HA )) 3.500 1.500 1.500 peak 2252 spectrum 1 weight 0.11000E+01 volume 0.56136E-03 ppm1 2.703 ppm2 3.881 CV 1 ASSI { 2253} (( segid " " and resid 35 and name HA )) ( segid " " and resid 38 and name HE% ) 2.800 1.000 1.000 peak 2253 spectrum 1 weight 0.11000E+01 volume 0.20864E-02 ppm1 3.896 ppm2 2.221 CV 1 ASSI { 2258} ( segid " " and resid 26 and name HG2%) ( segid " " and resid 38 and name HE% ) 2.600 0.800 0.800 peak 2258 spectrum 1 weight 0.11000E+01 volume 0.31759E-02 ppm1 0.792 ppm2 2.238 CV 1 ASSI { 2259} ( segid " " and resid 26 and name HG1%) ( segid " " and resid 38 and name HE% ) 3.100 1.200 1.200 peak 2259 spectrum 1 weight 0.11000E+01 volume 0.11937E-02 ppm1 0.890 ppm2 2.238 CV 1 ASSI { 2266} (( segid " " and resid 26 and name HA )) ( segid " " and resid 38 and name HE% ) 3.100 1.200 1.200 peak 2266 spectrum 1 weight 0.11000E+01 volume 0.11076E-02 ppm1 4.387 ppm2 2.229 CV 1 ASSI { 2268} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 81 and name HA )) 3.000 1.200 1.200 peak 2268 spectrum 1 weight 0.11000E+01 volume 0.12469E-02 ppm1 0.727 ppm2 4.678 CV 1 ASSI { 2269} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 81 and name HB2 )) 3.300 1.300 1.300 peak 2269 spectrum 1 weight 0.11000E+01 volume 0.81985E-03 ppm1 0.727 ppm2 3.060 CV 1 ASSI { 2270} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 58 and name HD2 )) 3.500 1.500 1.500 peak 2270 spectrum 1 weight 0.11000E+01 volume 0.52324E-03 ppm1 0.727 ppm2 3.233 CV 1 ASSI { 2272} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 43 and name HA )) 3.900 1.900 1.900 peak 2272 spectrum 1 weight 0.11000E+01 volume 0.29514E-03 ppm1 0.821 ppm2 4.579 CV 1 ASSI { 2274} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 43 and name HB )) 2.700 0.900 0.900 peak 2274 spectrum 1 weight 0.11000E+01 volume 0.24275E-02 ppm1 0.821 ppm2 4.153 CV 1 ASSI { 2275} (( segid " " and resid 43 and name HB )) (( segid " " and resid 45 and name HG12)) 2.900 1.100 1.100 peak 2275 spectrum 1 weight 0.11000E+01 volume 0.15202E-02 ppm1 4.158 ppm2 1.389 CV 1 ASSI { 2276} (( segid " " and resid 43 and name HB )) (( segid " " and resid 45 and name HB )) 3.500 1.500 1.500 peak 2276 spectrum 1 weight 0.11000E+01 volume 0.56712E-03 ppm1 4.158 ppm2 1.612 CV 1 ASSI { 2279} ( segid " " and resid 46 and name HD1%) (( segid " " and resid 47 and name HD2 )) 3.700 1.700 1.700 peak 2279 spectrum 1 weight 0.11000E+01 volume 0.39754E-03 ppm1 0.981 ppm2 3.986 CV 1 ASSI { 2281} (( segid " " and resid 48 and name HB2 )) ( segid " " and resid 46 and name HD1%) 3.500 1.500 1.500 peak 2281 spectrum 1 weight 0.11000E+01 volume 0.55552E-03 ppm1 2.128 ppm2 0.981 CV 1 ASSI { 2282} (( segid " " and resid 48 and name HB3 )) ( segid " " and resid 46 and name HD1%) 3.500 1.500 1.500 peak 2282 spectrum 1 weight 0.11000E+01 volume 0.54976E-03 ppm1 2.042 ppm2 0.967 CV 1 ASSI { 2284} (( segid " " and resid 48 and name HG3 )) ( segid " " and resid 46 and name HD1%) 3.100 3.100 2.900 peak 2284 spectrum 1 weight 0.11000E+01 volume 0.11660E-02 ppm1 2.292 ppm2 0.952 CV 1 ASSI { 2285} ( segid " " and resid 46 and name HD1%) (( segid " " and resid 48 and name HG2 )) 3.100 1.200 1.200 peak 2285 spectrum 1 weight 0.11000E+01 volume 0.11674E-02 ppm1 0.981 ppm2 2.374 CV 1 ASSI { 2286} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 49 and name HN )) 3.700 1.700 1.700 peak 2286 spectrum 1 weight 0.11000E+01 volume 0.40162E-03 ppm1 1.148 ppm2 7.956 CV 1 ASSI { 2288} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 48 and name HG2 )) 3.400 1.400 1.400 peak 2288 spectrum 1 weight 0.11000E+01 volume 0.63336E-03 ppm1 1.148 ppm2 2.374 CV 1 ASSI { 2292} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 74 and name HN )) 4.100 2.100 1.900 peak 2292 spectrum 1 weight 0.11000E+01 volume 0.21571E-03 ppm1 0.762 ppm2 7.769 CV 1 ASSI { 2293} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 71 and name HA )) 3.800 1.800 1.800 peak 2293 spectrum 1 weight 0.11000E+01 volume 0.35104E-03 ppm1 0.935 ppm2 4.552 CV 1 ASSI { 2294} (( segid " " and resid 34 and name HA )) ( segid " " and resid 37 and name HB% ) 2.600 0.800 0.800 peak 2294 spectrum 1 weight 0.11000E+01 volume 0.34805E-02 ppm1 4.136 ppm2 1.621 CV 1 ASSI { 2296} (( segid " " and resid 38 and name HA )) ( segid " " and resid 37 and name HB% ) 3.700 1.800 1.800 peak 2296 spectrum 1 weight 0.11000E+01 volume 0.35723E-03 ppm1 4.246 ppm2 1.621 CV 1 ASSI { 2297} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 37 and name HA )) 3.200 1.300 1.300 peak 2297 spectrum 1 weight 0.11000E+01 volume 0.95758E-03 ppm1 2.243 ppm2 4.351 CV 1 ASSI { 2299} (( segid " " and resid 59 and name HA )) ( segid " " and resid 68 and name HE% ) 3.200 1.300 1.300 peak 2299 spectrum 1 weight 0.11000E+01 volume 0.97799E-03 ppm1 3.934 ppm2 6.766 CV 1 ASSI { 2302} ( segid " " and resid 32 and name HG1%) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 2302 spectrum 1 weight 0.11000E+01 volume 0.10895E-02 ppm1 1.090 ppm2 3.932 CV 1 ASSI { 2303} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 59 and name HA )) 3.200 1.300 1.300 peak 2303 spectrum 1 weight 0.11000E+01 volume 0.94592E-03 ppm1 0.769 ppm2 3.917 CV 1 ASSI { 2304} ( segid " " and resid 32 and name HG1%) (( segid " " and resid 61 and name HA )) 3.500 1.500 1.500 peak 2304 spectrum 1 weight 0.11000E+01 volume 0.53650E-03 ppm1 1.090 ppm2 4.267 CV 1 ASSI { 2305} (( segid " " and resid 61 and name HA )) ( segid " " and resid 32 and name HG2%) 2.800 1.000 1.000 peak 2305 spectrum 1 weight 0.11000E+01 volume 0.18758E-02 ppm1 4.272 ppm2 0.782 CV 1 ASSI { 2310} ( segid " " and resid 32 and name HG1%) ( segid " " and resid 68 and name HD% ) 3.300 1.400 1.400 peak 2310 spectrum 1 weight 0.11000E+01 volume 0.76665E-03 ppm1 1.090 ppm2 7.295 CV 1 ASSI { 2311} ( segid " " and resid 32 and name HG1%) ( segid " " and resid 68 and name HE% ) 2.600 0.800 0.800 peak 2311 spectrum 1 weight 0.11000E+01 volume 0.35782E-02 ppm1 1.090 ppm2 6.762 CV 1 ASSI { 2312} (( segid " " and resid 64 and name HA )) ( segid " " and resid 32 and name HG1%) 3.300 1.400 1.400 peak 2312 spectrum 1 weight 0.11000E+01 volume 0.77393E-03 ppm1 5.311 ppm2 1.087 CV 1 ASSI { 2313} (( segid " " and resid 64 and name HA )) ( segid " " and resid 32 and name HG2%) 3.900 1.900 1.900 peak 2313 spectrum 1 weight 0.11000E+01 volume 0.27941E-03 ppm1 5.311 ppm2 0.782 CV 1 ASSI { 2317} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 81 and name HB2 )) 3.500 1.600 1.600 peak 2317 spectrum 1 weight 0.11000E+01 volume 0.49941E-03 ppm1 1.254 ppm2 3.071 CV 1 ASSI { 2320} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 46 and name HN )) 3.700 1.700 1.700 peak 2320 spectrum 1 weight 0.11000E+01 volume 0.40278E-03 ppm1 1.254 ppm2 8.187 CV 1 ASSI { 2322} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 48 and name HN )) 3.900 1.900 1.900 peak 2322 spectrum 1 weight 0.11000E+01 volume 0.26330E-03 ppm1 1.254 ppm2 9.210 CV 1 ASSI { 2323} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 48 and name HG2 )) 3.200 1.300 1.300 peak 2323 spectrum 1 weight 0.11000E+01 volume 0.89199E-03 ppm1 1.254 ppm2 2.374 CV 1 ASSI { 2324} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 46 and name HB )) 3.200 3.200 2.800 peak 2324 spectrum 1 weight 0.11000E+01 volume 0.96851E-03 ppm1 1.254 ppm2 2.128 CV 1 ASSI { 2325} (( segid " " and resid 48 and name HB2 )) ( segid " " and resid 49 and name HG2%) 3.800 1.800 1.800 peak 2325 spectrum 1 weight 0.11000E+01 volume 0.33450E-03 ppm1 2.128 ppm2 1.254 CV 1 ASSI { 2326} (( segid " " and resid 48 and name HB3 )) ( segid " " and resid 49 and name HG2%) 4.000 2.000 2.000 peak 2326 spectrum 1 weight 0.11000E+01 volume 0.25871E-03 ppm1 2.042 ppm2 1.254 CV 1 ASSI { 2328} (( segid " " and resid 48 and name HG3 )) ( segid " " and resid 49 and name HG2%) 3.600 1.600 1.600 peak 2328 spectrum 1 weight 0.11000E+01 volume 0.45372E-03 ppm1 2.292 ppm2 1.254 CV 1 ASSI { 2329} ( segid " " and resid 23 and name HD2%) ( segid " " and resid 11 and name HD% ) 3.500 1.500 1.500 peak 2329 spectrum 1 weight 0.11000E+01 volume 0.56463E-03 ppm1 0.587 ppm2 7.009 CV 1 ASSI { 2330} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 24 and name HA )) 3.300 1.400 1.400 peak 2330 spectrum 1 weight 0.11000E+01 volume 0.70207E-03 ppm1 0.587 ppm2 4.664 CV 1 ASSI { 2331} ( segid " " and resid 23 and name HD2%) ( segid " " and resid 11 and name HE% ) 3.000 3.000 3.000 peak 2331 spectrum 1 weight 0.11000E+01 volume 0.14029E-02 ppm1 0.587 ppm2 7.307 CV 1 ASSI { 2334} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 11 and name HA )) 3.500 3.500 2.500 peak 2334 spectrum 1 weight 0.11000E+01 volume 0.56631E-03 ppm1 0.587 ppm2 5.389 CV 1 ASSI { 2335} (( segid " " and resid 11 and name HA )) ( segid " " and resid 23 and name HD1%) 3.500 1.600 1.600 peak 2335 spectrum 1 weight 0.11000E+01 volume 0.50882E-03 ppm1 5.412 ppm2 0.796 CV 1 ASSI { 2336} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 55 and name HN )) 3.000 1.100 1.100 peak 2336 spectrum 1 weight 0.11000E+01 volume 0.13861E-02 ppm1 0.935 ppm2 10.283 CV 1 ASSI { 2337} ( segid " " and resid 54 and name HD1%) ( segid " " and resid 77 and name HD% ) 3.700 3.700 2.300 peak 2337 spectrum 1 weight 0.11000E+01 volume 0.37473E-03 ppm1 0.935 ppm2 7.315 CV 1 ASSI { 2338} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HD2 )) 2.400 0.700 0.700 peak 2338 spectrum 1 weight 0.11000E+01 volume 0.56304E-02 ppm1 4.363 ppm2 3.976 CV 1 ASSI { 2340} (( segid " " and resid 28 and name HA )) ( segid " " and resid 66 and name HB% ) 3.300 3.300 2.700 peak 2340 spectrum 1 weight 0.11000E+01 volume 0.74332E-03 ppm1 3.820 ppm2 1.488 CV 1 ASSI { 2342} (( segid " " and resid 28 and name HA )) ( segid " " and resid 70 and name HG2%) 2.900 2.900 3.100 peak 2342 spectrum 1 weight 0.11000E+01 volume 0.16907E-02 ppm1 3.820 ppm2 0.934 CV 1 ASSI { 2343} (( segid " " and resid 28 and name HA )) ( segid " " and resid 70 and name HD1%) 2.700 0.900 0.900 peak 2343 spectrum 1 weight 0.11000E+01 volume 0.25273E-02 ppm1 3.820 ppm2 0.745 CV 1 ASSI { 2346} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HA )) 3.300 3.300 2.700 peak 2346 spectrum 1 weight 0.11000E+01 volume 0.74915E-03 ppm1 4.962 ppm2 3.795 CV 1 ASSI { 2349} (( segid " " and resid 28 and name HA )) (( segid " " and resid 65 and name HB2 )) 3.100 1.200 1.200 peak 2349 spectrum 1 weight 0.11000E+01 volume 0.11690E-02 ppm1 3.820 ppm2 2.457 CV 1 ASSI { 2350} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 73 and name HN )) 3.800 3.800 2.200 peak 2350 spectrum 1 weight 0.11000E+01 volume 0.34812E-03 ppm1 1.727 ppm2 9.292 CV 1 ASSI { 2353} (( segid " " and resid 9 and name HG3 )) (( segid " " and resid 73 and name HN )) 4.100 4.100 1.900 peak 2353 spectrum 1 weight 0.11000E+01 volume 0.21658E-03 ppm1 2.163 ppm2 9.218 CV 1 ASSI { 2354} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 73 and name HN )) 3.700 3.700 2.300 peak 2354 spectrum 1 weight 0.11000E+01 volume 0.40693E-03 ppm1 0.809 ppm2 9.231 CV 1 ASSI { 2358} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HD2 )) 3.500 1.500 1.500 peak 2358 spectrum 1 weight 0.11000E+01 volume 0.52244E-03 ppm1 5.414 ppm2 6.750 CV 1 ASSI { 2360} (( segid " " and resid 21 and name HA )) ( segid " " and resid 13 and name HG1%) 3.600 1.600 1.600 peak 2360 spectrum 1 weight 0.11000E+01 volume 0.48068E-03 ppm1 5.414 ppm2 0.983 CV 1 ASSI { 2362} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 18 and name HN )) 3.900 1.900 1.900 peak 2362 spectrum 1 weight 0.11000E+01 volume 0.26039E-03 ppm1 1.413 ppm2 8.601 CV 1 ASSI { 2366} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 78 and name HA )) 3.300 3.300 2.700 peak 2366 spectrum 1 weight 0.11000E+01 volume 0.75645E-03 ppm1 0.778 ppm2 5.145 CV 1 ASSI { 2367} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 78 and name HA )) 3.100 1.200 1.200 peak 2367 spectrum 1 weight 0.11000E+01 volume 0.10450E-02 ppm1 0.943 ppm2 5.160 CV 1 ASSI { 2369} (( segid " " and resid 11 and name HA )) ( segid " " and resid 13 and name HG2%) 3.600 3.600 2.400 peak 2369 spectrum 1 weight 0.11000E+01 volume 0.44906E-03 ppm1 5.412 ppm2 0.604 CV 1 ASSI { 2372} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 75 and name HA )) 3.600 1.600 1.600 peak 2372 spectrum 1 weight 0.11000E+01 volume 0.42916E-03 ppm1 2.601 ppm2 5.082 CV 1 ASSI { 2374} (( segid " " and resid 75 and name HA )) (( segid " " and resid 11 and name HB2 )) 3.400 1.400 1.400 peak 2374 spectrum 1 weight 0.11000E+01 volume 0.66652E-03 ppm1 5.087 ppm2 2.788 CV 1 ASSI { 2378} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 11 and name HB2 )) 2.500 0.800 0.800 peak 2378 spectrum 1 weight 0.11000E+01 volume 0.40999E-02 ppm1 0.864 ppm2 2.788 CV 1 ASSI { 2379} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 11 and name HB3 )) 2.900 1.000 1.000 peak 2379 spectrum 1 weight 0.11000E+01 volume 0.17351E-02 ppm1 0.864 ppm2 2.597 CV 1 ASSI { 2380} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 75 and name HB2 )) 3.200 3.200 2.800 peak 2380 spectrum 1 weight 0.11000E+01 volume 0.10079E-02 ppm1 2.601 ppm2 1.686 CV 1 ASSI { 2382} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 11 and name HB2 )) 3.900 1.900 1.900 peak 2382 spectrum 1 weight 0.11000E+01 volume 0.29099E-03 ppm1 1.694 ppm2 2.788 CV 1 ASSI { 2383} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 77 and name HE% ) 3.300 1.300 1.300 peak 2383 spectrum 1 weight 0.11000E+01 volume 0.78705E-03 ppm1 1.694 ppm2 7.370 CV 1 ASSI { 2384} (( segid " " and resid 75 and name HB3 )) ( segid " " and resid 77 and name HE% ) 3.500 1.500 1.500 peak 2384 spectrum 1 weight 0.11000E+01 volume 0.55393E-03 ppm1 0.965 ppm2 7.370 CV 1 ASSI { 2385} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 53 and name HN )) 3.300 3.300 2.700 peak 2385 spectrum 1 weight 0.11000E+01 volume 0.73385E-03 ppm1 1.188 ppm2 9.115 CV 1 ASSI { 2387} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 22 and name HN )) 3.600 1.600 1.600 peak 2387 spectrum 1 weight 0.11000E+01 volume 0.47951E-03 ppm1 1.301 ppm2 9.191 CV 1 ASSI { 2392} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HB2 )) 1.900 0.400 0.400 peak 2392 spectrum 1 weight 0.11000E+01 volume 0.23830E-01 ppm1 2.612 ppm2 2.712 CV 1 ASSI { 2394} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HA )) 2.700 2.700 3.300 peak 2394 spectrum 1 weight 0.11000E+01 volume 0.26957E-02 ppm1 2.612 ppm2 4.248 CV 1 ASSI { 2395} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HN )) 2.900 1.000 1.000 peak 2395 spectrum 1 weight 0.11000E+01 volume 0.16907E-02 ppm1 2.612 ppm2 8.574 CV 1 ASSI { 2397} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 46 and name HN )) 2.900 1.000 1.000 peak 2397 spectrum 1 weight 0.11000E+01 volume 0.18103E-02 ppm1 0.874 ppm2 8.194 CV 1 ASSI { 2399} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 50 and name HE21)) 3.400 1.400 1.400 peak 2399 spectrum 1 weight 0.11000E+01 volume 0.67643E-03 ppm1 0.874 ppm2 6.979 CV 1 ASSI { 2405} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 2405 spectrum 1 weight 0.11000E+01 volume 0.11259E-02 ppm1 2.394 ppm2 4.336 CV 1 ASSI { 2413} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 12 and name HN )) 4.100 2.100 1.900 peak 2413 spectrum 1 weight 0.11000E+01 volume 0.20136E-03 ppm1 0.587 ppm2 9.336 CV 1 ASSI { 2414} (( segid " " and resid 23 and name HG )) (( segid " " and resid 12 and name HN )) 5.100 3.200 0.900 peak 2414 spectrum 1 weight 0.11000E+01 volume 0.58591E-04 ppm1 1.265 ppm2 9.336 CV 1 ASSI { 2416} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 11 and name HD% ) 3.000 1.100 1.100 peak 2416 spectrum 1 weight 0.11000E+01 volume 0.13001E-02 ppm1 0.864 ppm2 7.017 CV 1 ASSI { 2417} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 11 and name HE% ) 3.100 1.200 1.200 peak 2417 spectrum 1 weight 0.11000E+01 volume 0.10582E-02 ppm1 0.864 ppm2 7.355 CV 1 ASSI { 2418} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HB2 )) 3.200 1.300 1.300 peak 2418 spectrum 1 weight 0.11000E+01 volume 0.93936E-03 ppm1 4.657 ppm2 2.788 CV 1 ASSI { 2420} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 10 and name HA )) 3.400 3.400 2.600 peak 2420 spectrum 1 weight 0.11000E+01 volume 0.64909E-03 ppm1 2.601 ppm2 4.657 CV 1 ASSI { 2421} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HE1 )) 3.900 1.900 1.900 peak 2421 spectrum 1 weight 0.11000E+01 volume 0.28275E-03 ppm1 2.951 ppm2 7.804 CV 1 ASSI { 2424} (( segid " " and resid 47 and name HD3 )) (( segid " " and resid 46 and name HB )) 2.800 1.000 1.000 peak 2424 spectrum 1 weight 0.11000E+01 volume 0.19203E-02 ppm1 3.733 ppm2 2.147 CV 1 ASSI { 2426} (( segid " " and resid 46 and name HB )) (( segid " " and resid 47 and name HD2 )) 3.100 1.200 1.200 peak 2426 spectrum 1 weight 0.11000E+01 volume 0.11595E-02 ppm1 2.149 ppm2 3.986 CV 1 ASSI { 2428} (( segid " " and resid 46 and name HB )) (( segid " " and resid 48 and name HN )) 3.600 1.600 1.600 peak 2428 spectrum 1 weight 0.11000E+01 volume 0.44789E-03 ppm1 2.149 ppm2 9.210 CV 1 ASSI { 2429} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 8 and name HN )) 3.900 1.900 1.900 peak 2429 spectrum 1 weight 0.11000E+01 volume 0.25994E-03 ppm1 1.999 ppm2 9.109 CV 1 ASSI { 2434} ( segid " " and resid 8 and name HD2%) (( segid " " and resid 72 and name HN )) 3.100 1.200 1.200 peak 2434 spectrum 1 weight 0.11000E+01 volume 0.10844E-02 ppm1 0.822 ppm2 8.571 CV 1 ASSI { 2435} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 72 and name HN )) 3.300 1.300 1.300 peak 2435 spectrum 1 weight 0.11000E+01 volume 0.80818E-03 ppm1 0.724 ppm2 8.571 CV 1 ASSI { 2436} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 79 and name HN )) 2.700 0.900 0.900 peak 2436 spectrum 1 weight 0.11000E+01 volume 0.26096E-02 ppm1 0.949 ppm2 9.024 CV 1 ASSI { 2437} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HA )) 3.300 1.400 1.400 peak 2437 spectrum 1 weight 0.11000E+01 volume 0.73895E-03 ppm1 0.949 ppm2 5.329 CV 1 ASSI { 2438} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB )) 2.600 2.600 3.400 peak 2438 spectrum 1 weight 0.11000E+01 volume 0.29325E-02 ppm1 0.949 ppm2 1.775 CV 1 ASSI { 2439} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 52 and name HG2%) 2.000 2.000 4.000 peak 2439 spectrum 1 weight 0.11000E+01 volume 0.15085E-01 ppm1 0.949 ppm2 0.785 CV 1 ASSI { 2440} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 50 and name HA )) 2.800 1.000 1.000 peak 2440 spectrum 1 weight 0.11000E+01 volume 0.19458E-02 ppm1 0.949 ppm2 4.051 CV 1 ASSI { 2442} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 50 and name HN )) 3.800 1.800 1.800 peak 2442 spectrum 1 weight 0.11000E+01 volume 0.34645E-03 ppm1 0.949 ppm2 7.320 CV 1 ASSI { 2455} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HA )) 3.600 3.600 2.400 peak 2455 spectrum 1 weight 0.11000E+01 volume 0.43914E-03 ppm1 2.589 ppm2 3.942 CV 1 ASSI { 2464} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 15 and name HN )) 3.200 1.300 1.300 peak 2464 spectrum 1 weight 0.11000E+01 volume 0.95904E-03 ppm1 2.158 ppm2 8.640 CV 1 ASSI { 2468} ( segid " " and resid 33 and name HB% ) (( segid " " and resid 62 and name HN )) 3.600 1.600 1.600 peak 2468 spectrum 1 weight 0.11000E+01 volume 0.46079E-03 ppm1 1.538 ppm2 8.043 CV 1 ASSI { 2473} ( segid " " and resid 37 and name HB% ) (( segid " " and resid 34 and name HN )) 3.600 1.600 1.600 peak 2473 spectrum 1 weight 0.11000E+01 volume 0.46953E-03 ppm1 1.621 ppm2 8.233 CV 1 ASSI { 2475} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 52 and name HN )) 2.800 1.000 1.000 peak 2475 spectrum 1 weight 0.11000E+01 volume 0.18481E-02 ppm1 0.784 ppm2 8.916 CV 1 ASSI { 2488} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 36 and name HA )) 2.800 1.000 1.000 peak 2488 spectrum 1 weight 0.11000E+01 volume 0.21862E-02 ppm1 0.758 ppm2 4.431 CV 1 ASSI { 2490} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 44 and name HA2 )) 3.100 1.200 1.200 peak 2490 spectrum 1 weight 0.11000E+01 volume 0.10552E-02 ppm1 0.821 ppm2 3.843 CV 1 ASSI { 2491} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 80 and name HB2 )) 3.900 3.900 2.100 peak 2491 spectrum 1 weight 0.11000E+01 volume 0.27401E-03 ppm1 0.727 ppm2 3.795 CV 1 ASSI { 2492} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 80 and name HA )) 3.600 3.600 2.400 peak 2492 spectrum 1 weight 0.11000E+01 volume 0.43208E-03 ppm1 0.727 ppm2 4.845 CV 1 ASSI { 2496} ( segid " " and resid 66 and name HB% ) (( segid " " and resid 29 and name HA )) 3.200 1.200 1.200 peak 2496 spectrum 1 weight 0.11000E+01 volume 0.10079E-02 ppm1 1.515 ppm2 4.450 CV 1 ASSI { 2497} ( segid " " and resid 66 and name HB% ) (( segid " " and resid 28 and name HD2 )) 3.400 1.400 1.400 peak 2497 spectrum 1 weight 0.11000E+01 volume 0.64166E-03 ppm1 1.515 ppm2 3.361 CV 1 ASSI { 2498} ( segid " " and resid 66 and name HB% ) (( segid " " and resid 28 and name HB2 )) 2.700 2.700 3.300 peak 2498 spectrum 1 weight 0.11000E+01 volume 0.23247E-02 ppm1 1.515 ppm2 1.916 CV 1 ASSI { 2501} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 50 and name HE22)) 3.600 3.600 2.400 peak 2501 spectrum 1 weight 0.11000E+01 volume 0.46720E-03 ppm1 0.907 ppm2 6.753 CV 1 ASSI { 2502} ( segid " " and resid 79 and name HB% ) (( segid " " and resid 51 and name HA )) 3.500 3.500 2.500 peak 2502 spectrum 1 weight 0.11000E+01 volume 0.51909E-03 ppm1 1.492 ppm2 4.200 CV 1 ASSI { 2503} ( segid " " and resid 79 and name HB% ) (( segid " " and resid 15 and name HB2 )) 3.100 1.200 1.200 peak 2503 spectrum 1 weight 0.11000E+01 volume 0.11638E-02 ppm1 1.492 ppm2 4.036 CV 1 ASSI { 2504} ( segid " " and resid 79 and name HB% ) (( segid " " and resid 51 and name HG12)) 3.000 3.000 3.000 peak 2504 spectrum 1 weight 0.11000E+01 volume 0.13460E-02 ppm1 1.492 ppm2 0.935 CV 1 ASSI { 2505} ( segid " " and resid 79 and name HB% ) (( segid " " and resid 78 and name HA )) 3.200 1.300 1.300 peak 2505 spectrum 1 weight 0.11000E+01 volume 0.88616E-03 ppm1 1.492 ppm2 5.154 CV 1 ASSI { 2508} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 45 and name HG2%) 2.600 2.600 3.400 peak 2508 spectrum 1 weight 0.11000E+01 volume 0.31337E-02 ppm1 1.254 ppm2 0.856 CV 1 ASSI { 2514} ( segid " " and resid 33 and name HB% ) (( segid " " and resid 61 and name HA )) 3.200 1.300 1.300 peak 2514 spectrum 1 weight 0.11000E+01 volume 0.98089E-03 ppm1 1.538 ppm2 4.277 CV 1 ASSI { 2515} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 30 and name HB3 )) 2.900 1.000 1.000 peak 2515 spectrum 1 weight 0.11000E+01 volume 0.18291E-02 ppm1 0.890 ppm2 3.908 CV 1 ASSI { 2521} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 9 and name HD3 )) 3.500 3.500 2.500 peak 2521 spectrum 1 weight 0.11000E+01 volume 0.51501E-03 ppm1 1.601 ppm2 3.583 CV 1 ASSI { 2522} (( segid " " and resid 72 and name HD3 )) (( segid " " and resid 9 and name HD3 )) 3.700 1.700 1.700 peak 2522 spectrum 1 weight 0.11000E+01 volume 0.37297E-03 ppm1 1.485 ppm2 3.593 CV 1 ASSI { 2523} ( segid " " and resid 35 and name HG1%) (( segid " " and resid 32 and name HA )) 3.300 3.300 2.700 peak 2523 spectrum 1 weight 0.11000E+01 volume 0.73385E-03 ppm1 1.179 ppm2 3.573 CV 1 ASSI { 2530} ( segid " " and resid 59 and name HD1%) (( segid " " and resid 32 and name HA )) 3.600 1.600 1.600 peak 2530 spectrum 1 weight 0.11000E+01 volume 0.46253E-03 ppm1 0.532 ppm2 3.583 CV 1 ASSI { 2533} ( segid " " and resid 59 and name HD1%) (( segid " " and resid 53 and name HA )) 3.600 1.700 1.700 peak 2533 spectrum 1 weight 0.11000E+01 volume 0.42275E-03 ppm1 0.532 ppm2 5.192 CV 1 ASSI { 2534} ( segid " " and resid 59 and name HD1%) ( segid " " and resid 68 and name HE% ) 3.800 3.800 2.200 peak 2534 spectrum 1 weight 0.11000E+01 volume 0.33778E-03 ppm1 0.532 ppm2 6.753 CV 1 ASSI { 2538} ( segid " " and resid 32 and name HG1%) (( segid " " and resid 63 and name HB2 )) 2.800 1.000 1.000 peak 2538 spectrum 1 weight 0.11000E+01 volume 0.20733E-02 ppm1 1.093 ppm2 2.495 CV 1 ASSI { 2540} ( segid " " and resid 54 and name HD2%) ( segid " " and resid 68 and name HD% ) 3.300 3.300 2.700 peak 2540 spectrum 1 weight 0.11000E+01 volume 0.72598E-03 ppm1 0.794 ppm2 7.268 CV 1 ASSI { 2542} (( segid " " and resid 38 and name HG2 )) ( segid " " and resid 24 and name HD2%) 3.700 1.700 1.700 peak 2542 spectrum 1 weight 0.11000E+01 volume 0.39987E-03 ppm1 2.988 ppm2 0.779 CV 1 ASSI { 2543} (( segid " " and resid 38 and name HG3 )) ( segid " " and resid 24 and name HD2%) 3.500 1.500 1.500 peak 2543 spectrum 1 weight 0.11000E+01 volume 0.52076E-03 ppm1 2.703 ppm2 0.764 CV 1 ASSI { 2545} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 64 and name HN )) 2.800 2.800 3.200 peak 2545 spectrum 1 weight 0.11000E+01 volume 0.20565E-02 ppm1 2.412 ppm2 9.241 CV 1 ASSI { 2546} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 64 and name HN )) 3.000 1.100 1.100 peak 2546 spectrum 1 weight 0.11000E+01 volume 0.13715E-02 ppm1 2.505 ppm2 9.222 CV 1 ASSI { 2554} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 54 and name HN )) 3.200 1.300 1.300 peak 2554 spectrum 1 weight 0.11000E+01 volume 0.84535E-03 ppm1 2.089 ppm2 8.882 CV 1 ASSI { 2557} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 35 and name HN )) 3.300 1.400 1.400 peak 2557 spectrum 1 weight 0.11000E+01 volume 0.76008E-03 ppm1 2.563 ppm2 8.003 CV 1 ASSI { 2562} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 22 and name HD2 )) 3.600 1.600 1.600 peak 2562 spectrum 1 weight 0.11000E+01 volume 0.45904E-03 ppm1 2.383 ppm2 6.746 CV 1 ASSI { 2563} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 22 and name HD2 )) 3.600 1.700 1.700 peak 2563 spectrum 1 weight 0.11000E+01 volume 0.42333E-03 ppm1 2.214 ppm2 6.737 CV 1 ASSI { 2569} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 57 and name HN )) 3.600 1.700 1.700 peak 2569 spectrum 1 weight 0.11000E+01 volume 0.42800E-03 ppm1 3.131 ppm2 7.956 CV 1 ASSI { 2571} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 64 and name HN )) 3.600 1.600 1.600 peak 2571 spectrum 1 weight 0.11000E+01 volume 0.45904E-03 ppm1 2.464 ppm2 9.232 CV 1 ASSI { 2576} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 60 and name HN )) 3.600 1.600 1.600 peak 2576 spectrum 1 weight 0.11000E+01 volume 0.45489E-03 ppm1 1.259 ppm2 8.088 CV 1 ASSI { 2578} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HA )) 3.900 1.900 1.900 peak 2578 spectrum 1 weight 0.11000E+01 volume 0.28188E-03 ppm1 1.490 ppm2 4.651 CV 1 ASSI { 2579} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 58 and name HA )) 4.000 2.000 2.000 peak 2579 spectrum 1 weight 0.11000E+01 volume 0.23677E-03 ppm1 1.259 ppm2 4.651 CV 1 ASSI { 2581} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 24 and name HN )) 3.500 1.500 1.500 peak 2581 spectrum 1 weight 0.11000E+01 volume 0.54314E-03 ppm1 1.523 ppm2 9.127 CV 1 ASSI { 2582} (( segid " " and resid 23 and name HB2 )) ( segid " " and resid 11 and name HE% ) 3.800 1.800 1.800 peak 2582 spectrum 1 weight 0.11000E+01 volume 0.33078E-03 ppm1 1.777 ppm2 7.370 CV 1 ASSI { 2583} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 22 and name HA )) 3.800 3.800 2.200 peak 2583 spectrum 1 weight 0.11000E+01 volume 0.32452E-03 ppm1 1.777 ppm2 4.894 CV 1 ASSI { 2584} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 22 and name HA )) 3.900 3.900 2.100 peak 2584 spectrum 1 weight 0.11000E+01 volume 0.28524E-03 ppm1 1.523 ppm2 4.885 CV 1 ASSI { 2585} (( segid " " and resid 23 and name HB3 )) ( segid " " and resid 11 and name HE% ) 3.700 1.700 1.700 peak 2585 spectrum 1 weight 0.11000E+01 volume 0.40635E-03 ppm1 1.523 ppm2 7.351 CV 1 ASSI { 2588} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 9 and name HD2 )) 3.000 1.100 1.100 peak 2588 spectrum 1 weight 0.11000E+01 volume 0.12717E-02 ppm1 1.064 ppm2 3.901 CV 1 ASSI { 2595} (( segid " " and resid 8 and name HB3 )) ( segid " " and resid 65 and name HE% ) 3.400 3.400 2.600 peak 2595 spectrum 1 weight 0.11000E+01 volume 0.64494E-03 ppm1 1.064 ppm2 1.836 CV 1 ASSI { 2596} (( segid " " and resid 9 and name HD3 )) (( segid " " and resid 8 and name HB3 )) 3.200 1.300 1.300 peak 2596 spectrum 1 weight 0.11000E+01 volume 0.87450E-03 ppm1 3.602 ppm2 1.046 CV 1 ASSI { 2597} (( segid " " and resid 9 and name HD3 )) ( segid " " and resid 8 and name HD2%) 3.300 1.400 1.400 peak 2597 spectrum 1 weight 0.11000E+01 volume 0.78122E-03 ppm1 3.602 ppm2 0.805 CV 1 ASSI { 2599} (( segid " " and resid 9 and name HD2 )) ( segid " " and resid 8 and name HD2%) 3.200 1.300 1.300 peak 2599 spectrum 1 weight 0.11000E+01 volume 0.84681E-03 ppm1 3.914 ppm2 0.819 CV 1 ASSI { 2606} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 52 and name HG2%) 2.800 1.000 1.000 peak 2606 spectrum 1 weight 0.11000E+01 volume 0.19180E-02 ppm1 1.490 ppm2 0.764 CV 1 ASSI { 2607} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 59 and name HB3 )) 2.600 0.800 0.800 peak 2607 spectrum 1 weight 0.11000E+01 volume 0.33581E-02 ppm1 0.778 ppm2 1.246 CV 1 ASSI { 2609} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 52 and name HG1%) 3.600 1.600 1.600 peak 2609 spectrum 1 weight 0.11000E+01 volume 0.43674E-03 ppm1 1.490 ppm2 0.943 CV 1 ASSI { 2610} (( segid " " and resid 59 and name HB3 )) ( segid " " and resid 52 and name HG1%) 3.700 1.700 1.700 peak 2610 spectrum 1 weight 0.11000E+01 volume 0.41334E-03 ppm1 1.259 ppm2 0.943 CV 1 ASSI { 2614} (( segid " " and resid 52 and name HB )) (( segid " " and resid 59 and name HB3 )) 2.900 1.100 1.100 peak 2614 spectrum 1 weight 0.11000E+01 volume 0.16273E-02 ppm1 1.788 ppm2 1.270 CV 1 ASSI { 2615} (( segid " " and resid 52 and name HB )) (( segid " " and resid 59 and name HB2 )) 3.000 1.100 1.100 peak 2615 spectrum 1 weight 0.11000E+01 volume 0.12767E-02 ppm1 1.788 ppm2 1.496 CV 1 ASSI { 2619} (( segid " " and resid 11 and name HA )) (( segid " " and resid 24 and name HG )) 3.500 3.500 2.500 peak 2619 spectrum 1 weight 0.11000E+01 volume 0.49475E-03 ppm1 5.412 ppm2 1.602 CV 1 ASSI { 2627} (( segid " " and resid 31 and name HA )) (( segid " " and resid 64 and name HB2 )) 3.200 1.300 1.300 peak 2627 spectrum 1 weight 0.11000E+01 volume 0.94154E-03 ppm1 5.184 ppm2 2.305 CV 1 ASSI { 2628} (( segid " " and resid 31 and name HA )) (( segid " " and resid 64 and name HB3 )) 3.200 3.200 2.800 peak 2628 spectrum 1 weight 0.11000E+01 volume 0.10035E-02 ppm1 5.184 ppm2 2.117 CV 1 ASSI { 2629} (( segid " " and resid 72 and name HA )) (( segid " " and resid 9 and name HG2 )) 3.600 1.600 1.600 peak 2629 spectrum 1 weight 0.11000E+01 volume 0.46545E-03 ppm1 3.899 ppm2 2.336 CV 1 ASSI { 2630} (( segid " " and resid 72 and name HA )) (( segid " " and resid 9 and name HD3 )) 2.900 1.100 1.100 peak 2630 spectrum 1 weight 0.11000E+01 volume 0.15902E-02 ppm1 3.899 ppm2 3.618 CV 1 ASSI { 2631} (( segid " " and resid 72 and name HA )) (( segid " " and resid 8 and name HB2 )) 3.000 1.100 1.100 peak 2631 spectrum 1 weight 0.11000E+01 volume 0.12688E-02 ppm1 3.899 ppm2 1.702 CV 1 ASSI { 2632} (( segid " " and resid 72 and name HA )) (( segid " " and resid 8 and name HB3 )) 3.000 1.100 1.100 peak 2632 spectrum 1 weight 0.11000E+01 volume 0.13300E-02 ppm1 3.899 ppm2 1.055 CV 1 ASSI { 2634} (( segid " " and resid 72 and name HA )) ( segid " " and resid 8 and name HD1%) 3.000 1.100 1.100 peak 2634 spectrum 1 weight 0.11000E+01 volume 0.13824E-02 ppm1 3.899 ppm2 0.747 CV 1 ASSI { 2637} (( segid " " and resid 53 and name HA )) ( segid " " and resid 54 and name HD2%) 3.100 1.200 1.200 peak 2637 spectrum 1 weight 0.11000E+01 volume 0.10552E-02 ppm1 5.192 ppm2 0.809 CV 1 ASSI { 2640} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HG )) 3.300 3.300 2.700 peak 2640 spectrum 1 weight 0.11000E+01 volume 0.80673E-03 ppm1 5.192 ppm2 1.683 CV 1 ASSI { 2642} (( segid " " and resid 40 and name HA )) (( segid " " and resid 45 and name HB )) 3.500 1.600 1.600 peak 2642 spectrum 1 weight 0.11000E+01 volume 0.49417E-03 ppm1 3.964 ppm2 1.613 CV 1 ASSI { 2644} (( segid " " and resid 40 and name HA )) ( segid " " and resid 39 and name HG2%) 3.600 1.600 1.600 peak 2644 spectrum 1 weight 0.11000E+01 volume 0.48185E-03 ppm1 3.964 ppm2 0.742 CV 1 ASSI { 2649} (( segid " " and resid 40 and name HA )) (( segid " " and resid 50 and name HE22)) 3.700 1.700 1.700 peak 2649 spectrum 1 weight 0.11000E+01 volume 0.40810E-03 ppm1 3.964 ppm2 6.789 CV 1 ASSI { 2650} (( segid " " and resid 40 and name HA )) (( segid " " and resid 50 and name HE21)) 3.600 1.600 1.600 peak 2650 spectrum 1 weight 0.11000E+01 volume 0.47951E-03 ppm1 3.964 ppm2 6.981 CV 1 ASSI { 2659} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 35 and name HG1%) 3.100 1.200 1.200 peak 2659 spectrum 1 weight 0.11000E+01 volume 0.10130E-02 ppm1 3.908 ppm2 1.178 CV 1 ASSI { 2668} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HE21)) 3.100 3.100 2.900 peak 2668 spectrum 1 weight 0.11000E+01 volume 0.10779E-02 ppm1 4.045 ppm2 7.002 CV 1 ASSI { 2669} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HE22)) 3.200 3.200 2.800 peak 2669 spectrum 1 weight 0.11000E+01 volume 0.97216E-03 ppm1 4.045 ppm2 6.817 CV 1 ASSI { 2670} (( segid " " and resid 35 and name HA )) (( segid " " and resid 34 and name HB3 )) 3.300 1.400 1.400 peak 2670 spectrum 1 weight 0.11000E+01 volume 0.75280E-03 ppm1 3.896 ppm2 2.110 CV 1 ASSI { 2673} (( segid " " and resid 39 and name HA )) (( segid " " and resid 42 and name HB3 )) 3.400 3.400 2.600 peak 2673 spectrum 1 weight 0.11000E+01 volume 0.66236E-03 ppm1 3.335 ppm2 1.322 CV 1 ASSI { 2674} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HA )) 4.000 4.000 2.000 peak 2674 spectrum 1 weight 0.11000E+01 volume 0.25171E-03 ppm1 3.335 ppm2 3.843 CV 1 ASSI { 2675} (( segid " " and resid 39 and name HA )) (( segid " " and resid 38 and name HA )) 3.700 1.700 1.700 peak 2675 spectrum 1 weight 0.11000E+01 volume 0.41334E-03 ppm1 3.335 ppm2 4.247 CV 1 ASSI { 2676} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HG2 )) 3.100 3.100 2.900 peak 2676 spectrum 1 weight 0.11000E+01 volume 0.12185E-02 ppm1 4.045 ppm2 2.548 CV 1 ASSI { 2678} (( segid " " and resid 53 and name HB )) ( segid " " and resid 77 and name HD% ) 3.800 3.800 2.200 peak 2678 spectrum 1 weight 0.11000E+01 volume 0.33158E-03 ppm1 3.874 ppm2 7.296 CV 1 ASSI { 2691} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 65 and name HN )) 3.700 1.700 1.700 peak 2691 spectrum 1 weight 0.11000E+01 volume 0.40869E-03 ppm1 2.817 ppm2 8.839 CV 1 ASSI { 2697} ( segid " " and resid 59 and name HD1%) ( segid " " and resid 68 and name HD% ) 3.900 1.900 1.900 peak 2697 spectrum 1 weight 0.11000E+01 volume 0.27488E-03 ppm1 0.532 ppm2 7.295 CV 1 ASSI { 2700} (( segid " " and resid 53 and name HA )) ( segid " " and resid 59 and name HD2%) 3.800 3.800 2.200 peak 2700 spectrum 1 weight 0.11000E+01 volume 0.35184E-03 ppm1 5.192 ppm2 0.098 CV 1 ASSI { 2701} (( segid " " and resid 59 and name HG )) (( segid " " and resid 53 and name HA )) 4.000 2.000 2.000 peak 2701 spectrum 1 weight 0.11000E+01 volume 0.25200E-03 ppm1 1.275 ppm2 5.189 CV 1 ASSI { 2705} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 68 and name HB2 )) 2.900 1.000 1.000 peak 2705 spectrum 1 weight 0.11000E+01 volume 0.16747E-02 ppm1 0.794 ppm2 3.378 CV 1 ASSI { 2706} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 68 and name HB3 )) 2.900 1.100 1.100 peak 2706 spectrum 1 weight 0.11000E+01 volume 0.15435E-02 ppm1 0.794 ppm2 2.764 CV 1 ASSI { 2708} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 77 and name HE% ) 2.600 2.600 3.400 peak 2708 spectrum 1 weight 0.11000E+01 volume 0.31897E-02 ppm1 1.050 ppm2 7.361 CV 1 ASSI { 2718} ( segid " " and resid 26 and name HG2%) ( segid " " and resid 65 and name HE% ) 2.600 2.600 3.400 peak 2718 spectrum 1 weight 0.11000E+01 volume 0.33253E-02 ppm1 0.792 ppm2 1.783 CV 1 ASSI { 2722} ( segid " " and resid 26 and name HG1%) ( segid " " and resid 65 and name HE% ) 2.700 2.700 3.300 peak 2722 spectrum 1 weight 0.11000E+01 volume 0.25142E-02 ppm1 0.890 ppm2 1.778 CV 1 ASSI { 2724} ( segid " " and resid 35 and name HG1%) (( segid " " and resid 30 and name HN )) 3.400 1.500 1.500 peak 2724 spectrum 1 weight 0.11000E+01 volume 0.59283E-03 ppm1 1.179 ppm2 7.814 CV 1 ASSI { 2726} ( segid " " and resid 35 and name HG1%) (( segid " " and resid 32 and name HN )) 3.700 1.700 1.700 peak 2726 spectrum 1 weight 0.11000E+01 volume 0.38580E-03 ppm1 1.179 ppm2 8.614 CV 1 ASSI { 2731} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 35 and name HA )) 3.400 3.400 2.600 peak 2731 spectrum 1 weight 0.11000E+01 volume 0.61353E-03 ppm1 2.140 ppm2 3.881 CV 1 ASSI { 2732} ( segid " " and resid 32 and name HG1%) ( segid " " and resid 59 and name HD1%) 2.800 1.000 1.000 peak 2732 spectrum 1 weight 0.11000E+01 volume 0.20995E-02 ppm1 1.090 ppm2 0.537 CV 1 ASSI { 2741} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 72 and name HN )) 3.200 1.200 1.200 peak 2741 spectrum 1 weight 0.11000E+01 volume 0.10057E-02 ppm1 1.737 ppm2 8.571 CV 1 ASSI { 2744} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 8 and name HN )) 3.500 1.500 1.500 peak 2744 spectrum 1 weight 0.11000E+01 volume 0.52659E-03 ppm1 1.791 ppm2 9.118 CV 1 ASSI { 2747} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 33 and name HA )) 3.200 3.200 2.800 peak 2747 spectrum 1 weight 0.11000E+01 volume 0.83806E-03 ppm1 1.592 ppm2 4.070 CV 1 ASSI { 2750} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 11 and name HN )) 2.900 1.000 1.000 peak 2750 spectrum 1 weight 0.11000E+01 volume 0.18029E-02 ppm1 1.367 ppm2 8.291 CV 1 ASSI { 2752} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 25 and name HN )) 3.000 1.100 1.100 peak 2752 spectrum 1 weight 0.11000E+01 volume 0.13365E-02 ppm1 1.459 ppm2 8.268 CV 1 ASSI { 2753} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 14 and name HA )) 3.000 1.100 1.100 peak 2753 spectrum 1 weight 0.11000E+01 volume 0.14408E-02 ppm1 1.942 ppm2 4.596 CV 1 ASSI { 2756} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 11 and name HA )) 3.700 1.800 1.800 peak 2756 spectrum 1 weight 0.11000E+01 volume 0.35519E-03 ppm1 2.013 ppm2 5.406 CV 1 ASSI { 2757} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 22 and name HD2 )) 3.700 1.700 1.700 peak 2757 spectrum 1 weight 0.11000E+01 volume 0.36532E-03 ppm1 2.013 ppm2 6.742 CV 1 ASSI { 2767} (( segid " " and resid 16 and name HA2 )) (( segid " " and resid 17 and name HA )) 3.400 1.400 1.400 peak 2767 spectrum 1 weight 0.11000E+01 volume 0.66899E-03 ppm1 3.985 ppm2 4.612 CV 1 ASSI { 2769} (( segid " " and resid 16 and name HA1 )) (( segid " " and resid 17 and name HA )) 3.300 1.300 1.300 peak 2769 spectrum 1 weight 0.11000E+01 volume 0.80308E-03 ppm1 4.311 ppm2 4.596 CV 1 ASSI { 2776} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 54 and name HG )) 3.500 1.500 1.500 peak 2776 spectrum 1 weight 0.11000E+01 volume 0.54066E-03 ppm1 3.398 ppm2 1.641 CV 1 ASSI { 2787} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HD2 )) 3.600 1.700 1.700 peak 2787 spectrum 1 weight 0.11000E+01 volume 0.42216E-03 ppm1 1.698 ppm2 3.902 CV 1 ASSI { 2788} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HD3 )) 3.800 1.800 1.800 peak 2788 spectrum 1 weight 0.11000E+01 volume 0.32044E-03 ppm1 1.698 ppm2 3.602 CV 1 ASSI { 2794} (( segid " " and resid 9 and name HD2 )) (( segid " " and resid 73 and name HN )) 3.800 3.800 2.200 peak 2794 spectrum 1 weight 0.11000E+01 volume 0.35227E-03 ppm1 3.914 ppm2 9.204 CV 1 ASSI { 2795} (( segid " " and resid 9 and name HD3 )) (( segid " " and resid 73 and name HN )) 3.700 1.700 1.700 peak 2795 spectrum 1 weight 0.11000E+01 volume 0.40926E-03 ppm1 3.602 ppm2 9.237 CV 1 ASSI { 2800} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 81 and name HA )) 3.600 3.600 2.400 peak 2800 spectrum 1 weight 0.11000E+01 volume 0.43440E-03 ppm1 1.254 ppm2 4.654 CV 1 ASSI { 2801} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 46 and name HD1%) 2.800 1.000 1.000 peak 2801 spectrum 1 weight 0.11000E+01 volume 0.22322E-02 ppm1 1.254 ppm2 0.981 CV 1 ASSI { 2802} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 46 and name HG12)) 2.800 2.800 3.200 peak 2802 spectrum 1 weight 0.11000E+01 volume 0.20070E-02 ppm1 1.254 ppm2 1.473 CV 1 ASSI { 2815} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 10 and name HN )) 3.400 1.400 1.400 peak 2815 spectrum 1 weight 0.11000E+01 volume 0.68226E-03 ppm1 1.727 ppm2 8.751 CV 1 ASSI { 2817} (( segid " " and resid 16 and name HA1 )) (( segid " " and resid 15 and name HA )) 3.300 1.400 1.400 peak 2817 spectrum 1 weight 0.11000E+01 volume 0.74915E-03 ppm1 4.311 ppm2 4.468 CV 1 ASSI { 2818} (( segid " " and resid 16 and name HA2 )) (( segid " " and resid 15 and name HA )) 3.400 3.400 2.600 peak 2818 spectrum 1 weight 0.11000E+01 volume 0.68641E-03 ppm1 3.985 ppm2 4.468 CV 1 ASSI { 2820} (( segid " " and resid 15 and name HA )) ( segid " " and resid 77 and name HD% ) 2.900 2.900 3.100 peak 2820 spectrum 1 weight 0.11000E+01 volume 0.16885E-02 ppm1 4.482 ppm2 7.304 CV 1 ASSI { 2825} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 18 and name HB2 )) 3.400 3.400 2.600 peak 2825 spectrum 1 weight 0.11000E+01 volume 0.62096E-03 ppm1 1.413 ppm2 2.128 CV 1 ASSI { 2826} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 18 and name HG2 )) 3.600 1.600 1.600 peak 2826 spectrum 1 weight 0.11000E+01 volume 0.43383E-03 ppm1 1.413 ppm2 2.344 CV 1 ASSI { 2835} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HA )) 3.600 1.600 1.600 peak 2835 spectrum 1 weight 0.11000E+01 volume 0.43674E-03 ppm1 4.236 ppm2 5.409 CV 1 ASSI { 2836} (( segid " " and resid 66 and name HA )) ( segid " " and resid 70 and name HG2%) 2.900 1.000 1.000 peak 2836 spectrum 1 weight 0.11000E+01 volume 0.17702E-02 ppm1 4.247 ppm2 0.932 CV 1 ASSI { 2837} (( segid " " and resid 66 and name HA )) ( segid " " and resid 70 and name HD1%) 3.500 3.500 2.500 peak 2837 spectrum 1 weight 0.11000E+01 volume 0.51253E-03 ppm1 4.247 ppm2 0.718 CV 1 ASSI { 2838} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 74 and name HD22)) 3.600 1.600 1.600 peak 2838 spectrum 1 weight 0.11000E+01 volume 0.46079E-03 ppm1 1.768 ppm2 7.178 CV 1 ASSI { 2841} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 74 and name HD22)) 3.500 1.500 1.500 peak 2841 spectrum 1 weight 0.11000E+01 volume 0.56879E-03 ppm1 1.737 ppm2 7.161 CV 1 ASSI { 2846} (( segid " " and resid 36 and name HG3 )) ( segid " " and resid 52 and name HG1%) 3.500 1.500 1.500 peak 2846 spectrum 1 weight 0.11000E+01 volume 0.58125E-03 ppm1 1.573 ppm2 0.925 CV 1 ASSI { 2847} (( segid " " and resid 36 and name HG3 )) ( segid " " and resid 52 and name HG2%) 2.900 2.900 3.100 peak 2847 spectrum 1 weight 0.11000E+01 volume 0.14991E-02 ppm1 1.573 ppm2 0.753 CV 1 ASSI { 2848} (( segid " " and resid 36 and name HG2 )) ( segid " " and resid 52 and name HG2%) 2.900 2.900 3.100 peak 2848 spectrum 1 weight 0.11000E+01 volume 0.16696E-02 ppm1 1.711 ppm2 0.733 CV 1 ASSI { 2854} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 21 and name HA )) 4.000 4.000 2.000 peak 2854 spectrum 1 weight 0.11000E+01 volume 0.22678E-03 ppm1 2.951 ppm2 5.377 CV 1 ASSI { 2857} ( segid " " and resid 32 and name HG1%) (( segid " " and resid 63 and name HB3 )) 2.900 1.100 1.100 peak 2857 spectrum 1 weight 0.11000E+01 volume 0.14991E-02 ppm1 1.093 ppm2 2.408 CV 1 ASSI { 2860} (( segid " " and resid 65 and name HG3 )) ( segid " " and resid 70 and name HD1%) 3.400 1.400 1.400 peak 2860 spectrum 1 weight 0.11000E+01 volume 0.64166E-03 ppm1 2.338 ppm2 0.763 CV 1 ASSI { 2867} ( segid " " and resid 35 and name HG2%) (( segid " " and resid 26 and name HB )) 2.800 1.000 1.000 peak 2867 spectrum 1 weight 0.11000E+01 volume 0.20281E-02 ppm1 0.818 ppm2 1.993 CV 1 ASSI { 2872} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 39 and name HA )) 3.500 1.500 1.500 peak 2872 spectrum 1 weight 0.11000E+01 volume 0.54561E-03 ppm1 0.907 ppm2 3.317 CV 1 ASSI { 2879} ( segid " " and resid 35 and name HG2%) (( segid " " and resid 30 and name HN )) 3.800 3.800 2.200 peak 2879 spectrum 1 weight 0.11000E+01 volume 0.33325E-03 ppm1 0.818 ppm2 7.808 CV 1 ASSI { 2881} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 30 and name HN )) 3.400 1.400 1.400 peak 2881 spectrum 1 weight 0.11000E+01 volume 0.68138E-03 ppm1 0.890 ppm2 7.803 CV 1 ASSI { 2882} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 80 and name HA )) 2.700 2.700 3.300 peak 2882 spectrum 1 weight 0.11000E+01 volume 0.23911E-02 ppm1 3.821 ppm2 4.916 CV 1 ASSI { 2885} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HB3 )) 1.600 0.300 0.600 peak 2885 spectrum 1 weight 0.11000E+01 volume 0.69953E-01 ppm1 3.860 ppm2 3.818 CV 1 ASSI { 2886} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 49 and name HG2%) 3.300 1.400 1.400 peak 2886 spectrum 1 weight 0.11000E+01 volume 0.72365E-03 ppm1 3.860 ppm2 1.249 CV 1 ASSI { 2887} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 45 and name HG2%) 3.000 1.100 1.100 peak 2887 spectrum 1 weight 0.11000E+01 volume 0.13562E-02 ppm1 3.860 ppm2 0.872 CV 1 ASSI { 2888} (( segid " " and resid 80 and name HB3 )) ( segid " " and resid 49 and name HG2%) 3.200 1.300 1.300 peak 2888 spectrum 1 weight 0.11000E+01 volume 0.90948E-03 ppm1 3.821 ppm2 1.256 CV 1 ASSI { 2889} (( segid " " and resid 80 and name HB3 )) ( segid " " and resid 45 and name HG2%) 3.000 1.100 1.100 peak 2889 spectrum 1 weight 0.11000E+01 volume 0.13277E-02 ppm1 3.821 ppm2 0.879 CV 1 ASSI { 2891} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 45 and name HG13)) 3.800 1.800 1.800 peak 2891 spectrum 1 weight 0.11000E+01 volume 0.32954E-03 ppm1 3.821 ppm2 1.034 CV 1 ASSI { 2892} (( segid " " and resid 45 and name HG13)) (( segid " " and resid 80 and name HB2 )) 3.700 1.700 1.700 peak 2892 spectrum 1 weight 0.11000E+01 volume 0.37997E-03 ppm1 1.029 ppm2 3.857 CV 1 ASSI { 2893} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 80 and name HA )) 3.900 3.900 2.100 peak 2893 spectrum 1 weight 0.11000E+01 volume 0.27649E-03 ppm1 3.061 ppm2 4.916 CV 1 ASSI { 2897} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 73 and name HN )) 3.900 3.900 2.100 peak 2897 spectrum 1 weight 0.11000E+01 volume 0.29886E-03 ppm1 1.601 ppm2 9.270 CV 1 ASSI { 2898} (( segid " " and resid 72 and name HD3 )) (( segid " " and resid 73 and name HN )) 4.000 2.000 2.000 peak 2898 spectrum 1 weight 0.11000E+01 volume 0.23560E-03 ppm1 1.485 ppm2 9.270 CV 1 ASSI { 2899} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 30 and name HB2 )) 3.100 1.200 1.200 peak 2899 spectrum 1 weight 0.11000E+01 volume 0.11012E-02 ppm1 0.890 ppm2 3.999 CV 1 ASSI { 2900} ( segid " " and resid 35 and name HG1%) (( segid " " and resid 30 and name HB2 )) 3.000 1.100 1.100 peak 2900 spectrum 1 weight 0.11000E+01 volume 0.14779E-02 ppm1 1.179 ppm2 4.011 CV 1 ASSI { 2901} ( segid " " and resid 35 and name HG1%) ( segid " " and resid 26 and name HG1%) 2.300 0.700 0.700 peak 2901 spectrum 1 weight 0.11000E+01 volume 0.66229E-02 ppm1 1.179 ppm2 0.893 CV 1 ASSI { 2903} ( segid " " and resid 35 and name HG2%) ( segid " " and resid 26 and name HG1%) 1.900 1.900 4.100 peak 2903 spectrum 1 weight 0.11000E+01 volume 0.20325E-01 ppm1 0.818 ppm2 0.882 CV 1 ASSI { 2906} (( segid " " and resid 32 and name HA )) ( segid " " and resid 59 and name HD2%) 4.000 2.000 2.000 peak 2906 spectrum 1 weight 0.11000E+01 volume 0.25404E-03 ppm1 3.593 ppm2 0.132 CV 1 ASSI { 2908} (( segid " " and resid 32 and name HA )) ( segid " " and resid 35 and name HG2%) 2.700 0.900 0.900 peak 2908 spectrum 1 weight 0.11000E+01 volume 0.24609E-02 ppm1 3.593 ppm2 0.817 CV 1 ASSI { 2909} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HA )) 3.700 1.700 1.700 peak 2909 spectrum 1 weight 0.11000E+01 volume 0.40810E-03 ppm1 3.593 ppm2 4.089 CV 1 ASSI { 2912} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 13 and name HG2%) 2.700 0.900 0.900 peak 2912 spectrum 1 weight 0.11000E+01 volume 0.26395E-02 ppm1 1.050 ppm2 0.615 CV 1 ASSI { 2914} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 13 and name HG2%) 2.400 0.700 0.700 peak 2914 spectrum 1 weight 0.11000E+01 volume 0.47361E-02 ppm1 0.864 ppm2 0.615 CV 1 ASSI { 2915} ( segid " " and resid 13 and name HG1%) ( segid " " and resid 75 and name HD2%) 2.500 2.500 3.500 peak 2915 spectrum 1 weight 0.11000E+01 volume 0.45503E-02 ppm1 0.983 ppm2 0.798 CV 1 ASSI { 2916} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 18 and name HG2 )) 3.300 3.300 2.700 peak 2916 spectrum 1 weight 0.11000E+01 volume 0.82348E-03 ppm1 0.983 ppm2 2.332 CV 1 ASSI { 2917} ( segid " " and resid 53 and name HG2%) ( segid " " and resid 51 and name HG2%) 2.400 2.400 3.600 peak 2917 spectrum 1 weight 0.11000E+01 volume 0.46763E-02 ppm1 1.024 ppm2 0.787 CV 1 ASSI { 2919} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 51 and name HB )) 2.900 2.900 3.100 peak 2919 spectrum 1 weight 0.11000E+01 volume 0.18008E-02 ppm1 1.024 ppm2 1.789 CV 1 ASSI { 2922} ( segid " " and resid 53 and name HG2%) ( segid " " and resid 77 and name HD% ) 3.900 1.900 1.900 peak 2922 spectrum 1 weight 0.11000E+01 volume 0.27649E-03 ppm1 1.024 ppm2 7.283 CV 1 ASSI { 2923} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 54 and name HA )) 3.300 3.300 2.700 peak 2923 spectrum 1 weight 0.11000E+01 volume 0.72831E-03 ppm1 1.024 ppm2 4.994 CV 1 ASSI { 2925} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 55 and name HA )) 3.600 3.600 2.400 peak 2925 spectrum 1 weight 0.11000E+01 volume 0.42683E-03 ppm1 1.024 ppm2 4.440 CV 1 ASSI { 2927} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 22 and name HB2 )) 3.500 1.500 1.500 peak 2927 spectrum 1 weight 0.11000E+01 volume 0.55057E-03 ppm1 0.731 ppm2 2.945 CV 1 ASSI { 2929} (( segid " " and resid 83 and name HA )) (( segid " " and resid 82 and name HA )) 3.300 3.300 2.700 peak 2929 spectrum 1 weight 0.11000E+01 volume 0.81985E-03 ppm1 4.224 ppm2 4.493 CV 1 ASSI { 2930} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 83 and name HB )) 3.800 1.800 1.800 peak 2930 spectrum 1 weight 0.11000E+01 volume 0.35023E-03 ppm1 3.824 ppm2 1.915 CV 1 ASSI { 2931} (( segid " " and resid 83 and name HA )) (( segid " " and resid 82 and name HB2 )) 3.800 1.800 1.800 peak 2931 spectrum 1 weight 0.11000E+01 volume 0.35395E-03 ppm1 4.224 ppm2 3.829 CV 1 ASSI { 2933} (( segid " " and resid 26 and name HB )) ( segid " " and resid 38 and name HE% ) 3.900 1.900 1.900 peak 2933 spectrum 1 weight 0.11000E+01 volume 0.27737E-03 ppm1 1.991 ppm2 2.213 CV 1 ASSI { 2942} (( segid " " and resid 10 and name HB3 )) ( segid " " and resid 26 and name HG1%) 2.700 2.700 3.300 peak 2942 spectrum 1 weight 0.11000E+01 volume 0.22920E-02 ppm1 1.367 ppm2 0.902 CV 1 ASSI { 2943} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 24 and name HG )) 2.800 2.800 3.200 peak 2943 spectrum 1 weight 0.11000E+01 volume 0.19436E-02 ppm1 1.301 ppm2 1.626 CV 1 ASSI { 2944} (( segid " " and resid 14 and name HG3 )) ( segid " " and resid 43 and name HG2%) 3.100 1.200 1.200 peak 2944 spectrum 1 weight 0.11000E+01 volume 0.11259E-02 ppm1 2.214 ppm2 0.915 CV 1 ASSI { 2945} (( segid " " and resid 14 and name HG2 )) ( segid " " and resid 43 and name HG2%) 3.100 1.200 1.200 peak 2945 spectrum 1 weight 0.11000E+01 volume 0.11441E-02 ppm1 2.383 ppm2 0.928 CV 1 ASSI { 2948} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 2948 spectrum 1 weight 0.11000E+01 volume 0.20995E-02 ppm1 0.983 ppm2 4.194 CV 1 ASSI { 2949} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 18 and name HB2 )) 2.900 1.100 1.100 peak 2949 spectrum 1 weight 0.11000E+01 volume 0.16303E-02 ppm1 0.983 ppm2 2.113 CV 1 ASSI { 2952} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 40 and name HA )) 3.800 1.800 1.800 peak 2952 spectrum 1 weight 0.11000E+01 volume 0.31956E-03 ppm1 0.907 ppm2 3.956 CV 1 ASSI { 2953} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 52 and name HG1%) 2.900 1.100 1.100 peak 2953 spectrum 1 weight 0.11000E+01 volume 0.16113E-02 ppm1 1.188 ppm2 0.941 CV 1 ASSI { 2954} (( segid " " and resid 75 and name HB3 )) ( segid " " and resid 13 and name HG2%) 3.000 1.100 1.100 peak 2954 spectrum 1 weight 0.11000E+01 volume 0.13642E-02 ppm1 0.965 ppm2 0.641 CV 1 ASSI { 2957} (( segid " " and resid 76 and name HB2 )) ( segid " " and resid 52 and name HG1%) 2.300 2.300 3.700 peak 2957 spectrum 1 weight 0.11000E+01 volume 0.66134E-02 ppm1 1.677 ppm2 0.941 CV 1 ASSI { 2958} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 76 and name HG )) 2.400 0.700 0.700 peak 2958 spectrum 1 weight 0.11000E+01 volume 0.57798E-02 ppm1 0.753 ppm2 1.594 CV 1 ASSI { 2959} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 76 and name HB3 )) 2.500 2.500 3.500 peak 2959 spectrum 1 weight 0.11000E+01 volume 0.43317E-02 ppm1 0.753 ppm2 1.174 CV 1 ASSI { 2962} (( segid " " and resid 42 and name HE3 )) (( segid " " and resid 42 and name HA )) 3.600 1.600 1.600 peak 2962 spectrum 1 weight 0.11000E+01 volume 0.45022E-03 ppm1 2.946 ppm2 4.257 CV 1 ASSI { 2963} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 42 and name HE3 )) 1.500 1.500 4.500 peak 2963 spectrum 1 weight 0.11000E+01 volume 0.99547E-01 ppm1 2.946 ppm2 2.946 CV 1 ASSI { 2964} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 42 and name HD3 )) 3.200 1.300 1.300 peak 2964 spectrum 1 weight 0.11000E+01 volume 0.95684E-03 ppm1 2.946 ppm2 1.150 CV 1 ASSI { 2967} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 72 and name HA )) 2.800 0.900 0.900 peak 2967 spectrum 1 weight 0.11000E+01 volume 0.22752E-02 ppm1 1.882 ppm2 3.899 CV 1 ASSI { 2968} (( segid " " and resid 72 and name HB3 )) ( segid " " and resid 8 and name HD1%) 3.300 3.300 2.700 peak 2968 spectrum 1 weight 0.11000E+01 volume 0.73093E-03 ppm1 1.882 ppm2 0.779 CV 1 ASSI { 2971} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 72 and name HD2 )) 2.700 0.900 0.900 peak 2971 spectrum 1 weight 0.11000E+01 volume 0.25470E-02 ppm1 1.882 ppm2 1.602 CV 1 ASSI { 2972} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 72 and name HG2 )) 2.200 0.600 0.600 peak 2972 spectrum 1 weight 0.11000E+01 volume 0.99474E-02 ppm1 1.882 ppm2 1.793 CV 1 ASSI { 2976} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HB3 )) 1.700 0.300 0.500 peak 2976 spectrum 1 weight 0.11000E+01 volume 0.47660E-01 ppm1 1.922 ppm2 1.876 CV 1 ASSI { 2977} ( segid " " and resid 8 and name HD2%) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 2977 spectrum 1 weight 0.11000E+01 volume 0.19837E-02 ppm1 0.822 ppm2 3.891 CV 1 ASSI { 2980} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 2980 spectrum 1 weight 0.11000E+01 volume 0.19275E-02 ppm1 0.724 ppm2 1.926 CV 1 ASSI { 2981} ( segid " " and resid 8 and name HD2%) (( segid " " and resid 72 and name HB2 )) 3.200 1.300 1.300 peak 2981 spectrum 1 weight 0.11000E+01 volume 0.83733E-03 ppm1 0.822 ppm2 1.926 CV 1 ASSI { 2983} (( segid " " and resid 72 and name HB3 )) ( segid " " and resid 8 and name HD2%) 3.500 3.500 2.500 peak 2983 spectrum 1 weight 0.11000E+01 volume 0.54642E-03 ppm1 1.882 ppm2 0.729 CV 1 ASSI { 2994} (( segid " " and resid 72 and name HA )) (( segid " " and resid 8 and name HA )) 3.100 1.200 1.200 peak 2994 spectrum 1 weight 0.11000E+01 volume 0.10436E-02 ppm1 3.899 ppm2 4.875 CV 1 ASSI { 2995} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HA1 )) 3.300 3.300 2.700 peak 2995 spectrum 1 weight 0.11000E+01 volume 0.71118E-03 ppm1 3.899 ppm2 4.358 CV 1 ASSI { 2999} (( segid " " and resid 54 and name HG )) (( segid " " and resid 68 and name HB3 )) 3.400 1.400 1.400 peak 2999 spectrum 1 weight 0.11000E+01 volume 0.65988E-03 ppm1 1.620 ppm2 2.764 CV 1 ASSI { 3001} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 70 and name HG12)) 3.800 3.800 2.200 peak 3001 spectrum 1 weight 0.11000E+01 volume 0.35352E-03 ppm1 2.770 ppm2 1.489 CV 1 ASSI { 3002} (( segid " " and resid 74 and name HB3 )) ( segid " " and resid 70 and name HG2%) 2.800 1.000 1.000 peak 3002 spectrum 1 weight 0.11000E+01 volume 0.19720E-02 ppm1 2.770 ppm2 0.938 CV 1 ASSI { 3003} (( segid " " and resid 74 and name HB3 )) ( segid " " and resid 70 and name HD1%) 2.900 2.900 3.100 peak 3003 spectrum 1 weight 0.11000E+01 volume 0.18103E-02 ppm1 2.770 ppm2 0.771 CV 1 ASSI { 3005} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 42 and name HD3 )) 4.000 2.000 2.000 peak 3005 spectrum 1 weight 0.11000E+01 volume 0.25434E-03 ppm1 2.951 ppm2 1.152 CV 1 ASSI { 3007} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 22 and name HB2 )) 3.500 3.500 2.500 peak 3007 spectrum 1 weight 0.11000E+01 volume 0.53074E-03 ppm1 1.315 ppm2 2.944 CV 1 ASSI { 3008} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 22 and name HB2 )) 3.700 1.700 1.700 peak 3008 spectrum 1 weight 0.11000E+01 volume 0.36999E-03 ppm1 1.581 ppm2 2.944 CV 1 ASSI { 3012} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 27 and name HN )) 3.600 1.600 1.600 peak 3012 spectrum 1 weight 0.11000E+01 volume 0.43674E-03 ppm1 3.908 ppm2 8.598 CV 1 ASSI { 3013} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 32 and name HN )) 3.300 3.300 2.700 peak 3013 spectrum 1 weight 0.11000E+01 volume 0.72714E-03 ppm1 3.996 ppm2 8.646 CV 1 ASSI { 3014} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 32 and name HN )) 3.800 3.800 2.200 peak 3014 spectrum 1 weight 0.11000E+01 volume 0.31380E-03 ppm1 3.908 ppm2 8.626 CV 1 ASSI { 3016} (( segid " " and resid 39 and name HA )) (( segid " " and resid 43 and name HN )) 3.800 1.800 1.800 peak 3016 spectrum 1 weight 0.11000E+01 volume 0.31627E-03 ppm1 3.335 ppm2 7.832 CV 1 ASSI { 3019} (( segid " " and resid 47 and name HA )) (( segid " " and resid 49 and name HN )) 3.000 1.200 1.200 peak 3019 spectrum 1 weight 0.11000E+01 volume 0.12520E-02 ppm1 4.045 ppm2 7.949 CV 1 ASSI { 3022} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 67 and name HN )) 3.900 1.900 1.900 peak 3022 spectrum 1 weight 0.11000E+01 volume 0.27153E-03 ppm1 2.458 ppm2 7.823 CV 1 ASSI { 3023} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 67 and name HN )) 4.100 2.100 1.900 peak 3023 spectrum 1 weight 0.11000E+01 volume 0.22213E-03 ppm1 1.833 ppm2 7.814 CV 1 ASSI { 3025} ( segid " " and resid 66 and name HB% ) (( segid " " and resid 28 and name HG2 )) 3.200 1.300 1.300 peak 3025 spectrum 1 weight 0.11000E+01 volume 0.94227E-03 ppm1 1.515 ppm2 1.807 CV 1 ASSI { 3028} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 54 and name HD1%) 4.300 2.300 1.700 peak 3028 spectrum 1 weight 0.11000E+01 volume 0.16163E-03 ppm1 3.131 ppm2 0.952 CV 1 ASSI { 3029} (( segid " " and resid 56 and name HA1 )) (( segid " " and resid 57 and name HN )) 3.500 1.500 1.500 peak 3029 spectrum 1 weight 0.11000E+01 volume 0.57214E-03 ppm1 4.277 ppm2 7.966 CV 1 ASSI { 3030} (( segid " " and resid 40 and name HA )) (( segid " " and resid 44 and name HA2 )) 3.600 3.600 2.400 peak 3030 spectrum 1 weight 0.11000E+01 volume 0.48651E-03 ppm1 3.964 ppm2 3.784 CV 1 ASSI { 3031} (( segid " " and resid 44 and name HA1 )) (( segid " " and resid 40 and name HA )) 2.400 0.700 0.700 peak 3031 spectrum 1 weight 0.11000E+01 volume 0.54051E-02 ppm1 4.273 ppm2 3.973 CV 1 ASSI { 3033} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HA1 )) 3.400 3.400 2.600 peak 3033 spectrum 1 weight 0.11000E+01 volume 0.66068E-03 ppm1 4.082 ppm2 4.326 CV 1 ASSI { 3035} (( segid " " and resid 43 and name HB )) ( segid " " and resid 39 and name HG2%) 3.100 1.200 1.200 peak 3035 spectrum 1 weight 0.11000E+01 volume 0.11493E-02 ppm1 4.158 ppm2 0.754 CV 1 ASSI { 3037} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 43 and name HG2%) 2.000 0.500 0.500 peak 3037 spectrum 1 weight 0.11000E+01 volume 0.13824E-01 ppm1 0.749 ppm2 0.925 CV 1 ASSI { 3038} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 30 and name HA )) 3.900 1.900 1.900 peak 3038 spectrum 1 weight 0.11000E+01 volume 0.26490E-03 ppm1 2.589 ppm2 4.652 CV 1 ASSI { 3039} (( segid " " and resid 36 and name HA )) ( segid " " and resid 39 and name HG2%) 2.600 0.800 0.800 peak 3039 spectrum 1 weight 0.11000E+01 volume 0.34331E-02 ppm1 4.440 ppm2 0.745 CV 1 ASSI { 3040} (( segid " " and resid 61 and name HB3 )) ( segid " " and resid 33 and name HB% ) 3.700 1.700 1.700 peak 3040 spectrum 1 weight 0.11000E+01 volume 0.39811E-03 ppm1 2.612 ppm2 1.554 CV 1 ASSI { 3042} (( segid " " and resid 70 and name HB )) ( segid " " and resid 65 and name HE% ) 3.000 1.200 1.200 peak 3042 spectrum 1 weight 0.11000E+01 volume 0.12257E-02 ppm1 1.671 ppm2 1.818 CV 1 ASSI { 3043} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 65 and name HA )) 3.700 1.700 1.700 peak 3043 spectrum 1 weight 0.11000E+01 volume 0.38995E-03 ppm1 0.762 ppm2 4.805 CV 1 ASSI { 3046} (( segid " " and resid 28 and name HG2 )) ( segid " " and resid 70 and name HD1%) 2.800 2.800 3.200 peak 3046 spectrum 1 weight 0.11000E+01 volume 0.22059E-02 ppm1 1.825 ppm2 0.775 CV 1 ASSI { 3048} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 28 and name HB2 )) 2.500 0.800 0.800 peak 3048 spectrum 1 weight 0.11000E+01 volume 0.38733E-02 ppm1 0.762 ppm2 1.953 CV 1 ASSI { 3050} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 25 and name HN )) 3.600 1.600 1.600 peak 3050 spectrum 1 weight 0.11000E+01 volume 0.47719E-03 ppm1 0.792 ppm2 8.261 CV 1 ASSI { 3052} (( segid " " and resid 8 and name HG )) (( segid " " and resid 28 and name HN )) 4.200 4.200 1.800 peak 3052 spectrum 1 weight 0.11000E+01 volume 0.17446E-03 ppm1 1.719 ppm2 9.261 CV 1 ASSI { 3054} (( segid " " and resid 36 and name HD3 )) (( segid " " and resid 39 and name HN )) 3.400 3.400 2.600 peak 3054 spectrum 1 weight 0.11000E+01 volume 0.59612E-03 ppm1 1.472 ppm2 8.692 CV 1 ASSI { 3055} (( segid " " and resid 21 and name HD2 )) ( segid " " and resid 11 and name HE% ) 4.100 2.100 1.900 peak 3055 spectrum 1 weight 0.11000E+01 volume 0.20427E-03 ppm1 2.888 ppm2 7.354 CV 1 ASSI { 3056} (( segid " " and resid 21 and name HD3 )) ( segid " " and resid 11 and name HE% ) 4.200 2.200 1.800 peak 3056 spectrum 1 weight 0.11000E+01 volume 0.18321E-03 ppm1 2.765 ppm2 7.354 CV 1 ASSI { 3058} (( segid " " and resid 73 and name HA2 )) ( segid " " and resid 11 and name HD% ) 3.300 1.400 1.400 peak 3058 spectrum 1 weight 0.11000E+01 volume 0.73530E-03 ppm1 3.697 ppm2 7.030 CV 1 ASSI { 3059} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 68 and name HD% ) 4.000 2.000 2.000 peak 3059 spectrum 1 weight 0.11000E+01 volume 0.24348E-03 ppm1 1.691 ppm2 7.299 CV 1 ASSI { 3060} (( segid " " and resid 54 and name HB3 )) ( segid " " and resid 68 and name HD% ) 4.000 2.000 2.000 peak 3060 spectrum 1 weight 0.11000E+01 volume 0.22977E-03 ppm1 1.202 ppm2 7.299 CV 1 ASSI { 3061} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 68 and name HE% ) 4.100 2.100 1.900 peak 3061 spectrum 1 weight 0.11000E+01 volume 0.20485E-03 ppm1 2.166 ppm2 6.771 CV 1 ASSI { 3062} (( segid " " and resid 60 and name HB3 )) ( segid " " and resid 68 and name HE% ) 4.200 2.200 1.800 peak 3062 spectrum 1 weight 0.11000E+01 volume 0.19254E-03 ppm1 1.934 ppm2 6.771 CV 1 ASSI { 3063} (( segid " " and resid 63 and name HG2 )) ( segid " " and resid 68 and name HE% ) 4.000 2.000 2.000 peak 3063 spectrum 1 weight 0.11000E+01 volume 0.24231E-03 ppm1 1.746 ppm2 6.771 CV 1 ASSI { 3064} (( segid " " and resid 59 and name HG )) ( segid " " and resid 68 and name HD% ) 4.000 2.000 2.000 peak 3064 spectrum 1 weight 0.11000E+01 volume 0.25171E-03 ppm1 1.275 ppm2 7.280 CV 1 ASSI { 3065} ( segid " " and resid 54 and name HD2%) ( segid " " and resid 68 and name HE% ) 3.200 1.300 1.300 peak 3065 spectrum 1 weight 0.11000E+01 volume 0.88761E-03 ppm1 0.794 ppm2 6.781 CV 1 ASSI { 3066} (( segid " " and resid 57 and name HD2 )) ( segid " " and resid 68 and name HE% ) 4.100 2.100 1.900 peak 3066 spectrum 1 weight 0.11000E+01 volume 0.22095E-03 ppm1 1.666 ppm2 6.790 CV 1 ASSI { 3067} (( segid " " and resid 57 and name HD3 )) ( segid " " and resid 68 and name HE% ) 4.000 2.000 2.000 peak 3067 spectrum 1 weight 0.11000E+01 volume 0.24850E-03 ppm1 1.602 ppm2 6.781 CV 1 ASSI { 3068} ( segid " " and resid 32 and name HG2%) ( segid " " and resid 68 and name HE% ) 4.000 2.000 2.000 peak 3068 spectrum 1 weight 0.11000E+01 volume 0.22890E-03 ppm1 0.769 ppm2 6.781 CV 1 ASSI { 3069} (( segid " " and resid 78 and name HB3 )) (( segid " " and resid 22 and name HD2 )) 4.400 2.400 1.600 peak 3069 spectrum 1 weight 0.11000E+01 volume 0.14444E-03 ppm1 1.329 ppm2 6.737 CV 1 ASSI { 3071} (( segid " " and resid 70 and name HA )) (( segid " " and resid 55 and name HD21)) 3.600 1.600 1.600 peak 3071 spectrum 1 weight 0.11000E+01 volume 0.48943E-03 ppm1 4.218 ppm2 7.782 CV 1 ASSI { 3072} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 55 and name HD21)) 3.300 1.400 1.400 peak 3072 spectrum 1 weight 0.11000E+01 volume 0.73895E-03 ppm1 0.935 ppm2 7.764 CV 1 ASSI { 3073} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 55 and name HD22)) 3.300 1.300 1.300 peak 3073 spectrum 1 weight 0.11000E+01 volume 0.83588E-03 ppm1 0.935 ppm2 6.968 CV 1 ASSI { 3076} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 50 and name HE21)) 4.000 2.000 2.000 peak 3076 spectrum 1 weight 0.11000E+01 volume 0.22795E-03 ppm1 1.877 ppm2 6.977 CV 1 ASSI { 3077} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 50 and name HE22)) 3.500 1.500 1.500 peak 3077 spectrum 1 weight 0.11000E+01 volume 0.53650E-03 ppm1 1.877 ppm2 6.773 CV 1 ASSI { 3078} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 50 and name HE21)) 4.100 2.100 1.900 peak 3078 spectrum 1 weight 0.11000E+01 volume 0.20631E-03 ppm1 2.394 ppm2 6.996 CV 1 ASSI { 3079} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 50 and name HE22)) 4.200 2.200 1.800 peak 3079 spectrum 1 weight 0.11000E+01 volume 0.17920E-03 ppm1 2.394 ppm2 6.791 CV 1 ASSI { 3080} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 50 and name HE21)) 4.000 2.000 2.000 peak 3080 spectrum 1 weight 0.11000E+01 volume 0.25827E-03 ppm1 0.949 ppm2 6.977 CV 1 ASSI { 3083} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 33 and name HN )) 4.200 2.200 1.800 peak 3083 spectrum 1 weight 0.11000E+01 volume 0.18175E-03 ppm1 2.563 ppm2 8.607 CV 1 ASSI { 3085} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 48 and name HN )) 3.900 3.900 2.100 peak 3085 spectrum 1 weight 0.11000E+01 volume 0.29267E-03 ppm1 2.243 ppm2 9.178 CV 1 ASSI { 3086} (( segid " " and resid 47 and name HG3 )) (( segid " " and resid 46 and name HA )) 3.100 3.100 2.900 peak 3086 spectrum 1 weight 0.11000E+01 volume 0.11062E-02 ppm1 1.649 ppm2 4.328 CV 1 ASSI { 3087} (( segid " " and resid 47 and name HG3 )) (( segid " " and resid 46 and name HB )) 4.600 4.600 1.400 peak 3087 spectrum 1 weight 0.11000E+01 volume 0.10742E-03 ppm1 1.649 ppm2 2.118 CV 1 ASSI { 3088} (( segid " " and resid 46 and name HB )) (( segid " " and resid 48 and name HG3 )) 2.300 0.700 0.700 peak 3088 spectrum 1 weight 0.11000E+01 volume 0.58927E-02 ppm1 2.149 ppm2 2.297 CV 1 ASSI { 3092} (( segid " " and resid 47 and name HA )) ( segid " " and resid 45 and name HG2%) 3.800 1.800 1.800 peak 3092 spectrum 1 weight 0.11000E+01 volume 0.35184E-03 ppm1 4.045 ppm2 0.863 CV 1 ASSI { 3093} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 49 and name HA )) 3.600 3.600 2.400 peak 3093 spectrum 1 weight 0.11000E+01 volume 0.43914E-03 ppm1 0.874 ppm2 4.434 CV 1 ASSI { 3094} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 80 and name HA )) 3.600 3.600 2.400 peak 3094 spectrum 1 weight 0.11000E+01 volume 0.42916E-03 ppm1 0.874 ppm2 4.847 CV 1 ASSI { 3095} (( segid " " and resid 50 and name HA )) ( segid " " and resid 45 and name HG2%) 2.900 1.000 1.000 peak 3095 spectrum 1 weight 0.11000E+01 volume 0.16907E-02 ppm1 4.051 ppm2 0.879 CV 1 ASSI { 3096} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 27 and name HB3 )) 3.700 1.800 1.800 peak 3096 spectrum 1 weight 0.11000E+01 volume 0.35519E-03 ppm1 3.996 ppm2 1.734 CV 1 ASSI { 3098} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 30 and name HB3 )) 3.400 1.400 1.400 peak 3098 spectrum 1 weight 0.11000E+01 volume 0.67810E-03 ppm1 1.737 ppm2 3.919 CV 1 ASSI { 3100} (( segid " " and resid 54 and name HG )) ( segid " " and resid 68 and name HD% ) 3.800 1.800 1.800 peak 3100 spectrum 1 weight 0.11000E+01 volume 0.32990E-03 ppm1 1.620 ppm2 7.291 CV 1 ASSI { 3102} (( segid " " and resid 25 and name HG2 )) (( segid " " and resid 24 and name HA )) 3.900 3.900 2.100 peak 3102 spectrum 1 weight 0.11000E+01 volume 0.28807E-03 ppm1 2.211 ppm2 4.621 CV 1 ASSI { 3103} (( segid " " and resid 25 and name HG3 )) (( segid " " and resid 24 and name HA )) 2.900 2.900 3.100 peak 3103 spectrum 1 weight 0.11000E+01 volume 0.17235E-02 ppm1 2.150 ppm2 4.610 CV 1 ASSI { 3106} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 80 and name HA )) 3.300 3.300 2.700 peak 3106 spectrum 1 weight 0.11000E+01 volume 0.70295E-03 ppm1 1.254 ppm2 4.823 CV 1 ASSI { 1989} ( segid " " and resid 68 and name HE% ) ( segid " " and resid 68 and name HD% ) 2.100 0.600 0.600 peak 1989 spectrum 1 weight 0.11000E+01 volume 0.10895E-01 ppm1 6.716 ppm2 7.238 CV 1 ASSI { 1993} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 68 and name HD% ) 2.700 0.900 0.900 peak 1993 spectrum 1 weight 0.11000E+01 volume 0.24184E-02 ppm1 3.334 ppm2 7.238 CV 1 ASSI { 1994} (( segid " " and resid 68 and name HB3 )) ( segid " " and resid 68 and name HD% ) 2.600 0.800 0.800 peak 1994 spectrum 1 weight 0.11000E+01 volume 0.34406E-02 ppm1 2.706 ppm2 7.238 CV 1 ASSI { 1999} (( segid " " and resid 64 and name HN )) ( segid " " and resid 68 and name HE% ) 3.000 1.100 1.100 peak 1999 spectrum 1 weight 0.11000E+01 volume 0.14123E-02 ppm1 9.186 ppm2 6.714 CV 1 ASSI { 2004} ( segid " " and resid 81 and name HD% ) ( segid " " and resid 81 and name HE% ) 1.900 0.400 0.400 peak 2004 spectrum 1 weight 0.11000E+01 volume 0.23604E-01 ppm1 7.098 ppm2 6.797 CV 1 ASSI { 2006} (( segid " " and resid 81 and name HA )) ( segid " " and resid 81 and name HD% ) 2.800 1.000 1.000 peak 2006 spectrum 1 weight 0.11000E+01 volume 0.21810E-02 ppm1 4.619 ppm2 7.107 CV 1 ASSI { 2007} (( segid " " and resid 81 and name HB2 )) ( segid " " and resid 81 and name HD% ) 2.300 0.700 0.700 peak 2007 spectrum 1 weight 0.11000E+01 volume 0.66720E-02 ppm1 2.995 ppm2 7.107 CV 1 ASSI { 2008} (( segid " " and resid 81 and name HB2 )) ( segid " " and resid 81 and name HE% ) 3.200 1.300 1.300 peak 2008 spectrum 1 weight 0.11000E+01 volume 0.93647E-03 ppm1 3.002 ppm2 6.797 CV 1 ASSI { 2009} (( segid " " and resid 51 and name HG12)) ( segid " " and resid 81 and name HD% ) 3.200 1.300 1.300 peak 2009 spectrum 1 weight 0.11000E+01 volume 0.85394E-03 ppm1 0.875 ppm2 7.100 CV 1 ASSI { 2010} (( segid " " and resid 51 and name HG12)) ( segid " " and resid 81 and name HE% ) 3.300 1.400 1.400 peak 2010 spectrum 1 weight 0.11000E+01 volume 0.72299E-03 ppm1 0.865 ppm2 6.797 CV 1 ASSI { 2013} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 11 and name HD% ) 2.900 1.000 1.000 peak 2013 spectrum 1 weight 0.11000E+01 volume 0.17517E-02 ppm1 2.737 ppm2 6.960 CV 1 ASSI { 2015} ( segid " " and resid 11 and name HE% ) ( segid " " and resid 11 and name HD% ) 2.400 0.700 0.700 peak 2015 spectrum 1 weight 0.11000E+01 volume 0.58744E-02 ppm1 7.302 ppm2 6.960 CV 1 ASSI { 2018} (( segid " " and resid 73 and name HA1 )) ( segid " " and resid 11 and name HE% ) 3.700 1.700 1.700 peak 2018 spectrum 1 weight 0.11000E+01 volume 0.39917E-03 ppm1 4.324 ppm2 7.308 CV 1 ASSI { 2019} (( segid " " and resid 73 and name HA2 )) ( segid " " and resid 11 and name HE% ) 3.500 1.500 1.500 peak 2019 spectrum 1 weight 0.11000E+01 volume 0.58604E-03 ppm1 3.637 ppm2 7.308 CV 1 ASSI { 2024} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD% ) 3.100 1.200 1.200 peak 2024 spectrum 1 weight 0.11000E+01 volume 0.11159E-02 ppm1 5.027 ppm2 7.211 CV 1 ASSI { 2025} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD% ) 2.800 1.000 1.000 peak 2025 spectrum 1 weight 0.11000E+01 volume 0.19204E-02 ppm1 3.010 ppm2 7.211 CV 1 ASSI { 2027} (( segid " " and resid 23 and name HA )) ( segid " " and resid 11 and name HD% ) 3.600 1.600 1.600 peak 2027 spectrum 1 weight 0.11000E+01 volume 0.46616E-03 ppm1 4.429 ppm2 6.960 CV 1 ASSI { 2029} (( segid " " and resid 14 and name HN )) (( segid " " and resid 22 and name HD2 )) 4.100 2.100 1.900 peak 2029 spectrum 1 weight 0.11000E+01 volume 0.21583E-03 ppm1 8.724 ppm2 6.693 CV 1 ASSI { 2031} (( segid " " and resid 64 and name HB3 )) ( segid " " and resid 68 and name HE% ) 2.800 2.800 3.200 peak 2031 spectrum 1 weight 0.11000E+01 volume 0.21247E-02 ppm1 2.039 ppm2 6.714 CV 1 ASSI { 2034} (( segid " " and resid 22 and name HE1 )) (( segid " " and resid 22 and name HD2 )) 3.500 1.500 1.500 peak 2034 spectrum 1 weight 0.11000E+01 volume 0.57129E-03 ppm1 7.719 ppm2 6.693 CV 1 ASSI { 2035} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HE1 )) 3.400 3.400 2.600 peak 2035 spectrum 1 weight 0.11000E+01 volume 0.64092E-03 ppm1 4.788 ppm2 7.715 CV 1 ASSI { 2037} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HD2 )) 3.100 3.100 2.900 peak 2037 spectrum 1 weight 0.11000E+01 volume 0.11306E-02 ppm1 4.788 ppm2 6.693 CV 1 ASSI { 2038} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HD2 )) 2.800 1.000 1.000 peak 2038 spectrum 1 weight 0.11000E+01 volume 0.19144E-02 ppm1 2.882 ppm2 6.693 CV 1 ASSI { 2039} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 22 and name HE1 )) 3.300 3.300 2.700 peak 2039 spectrum 1 weight 0.11000E+01 volume 0.75434E-03 ppm1 1.656 ppm2 7.715 CV 1 ASSI { 2040} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 22 and name HE1 )) 4.000 2.000 2.000 peak 2040 spectrum 1 weight 0.11000E+01 volume 0.26043E-03 ppm1 1.522 ppm2 7.715 CV 1 ASSI { 2041} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 22 and name HE1 )) 4.200 2.200 1.800 peak 2041 spectrum 1 weight 0.11000E+01 volume 0.19379E-03 ppm1 2.869 ppm2 7.715 CV 1 ASSI { 2045} (( segid " " and resid 22 and name HN )) ( segid " " and resid 11 and name HD% ) 4.100 2.100 1.900 peak 2045 spectrum 1 weight 0.11000E+01 volume 0.22473E-03 ppm1 9.183 ppm2 6.960 CV 1 ASSI { 2048} ( segid " " and resid 77 and name HE% ) ( segid " " and resid 77 and name HD% ) 2.100 0.500 0.500 peak 2048 spectrum 1 weight 0.11000E+01 volume 0.12307E-01 ppm1 7.341 ppm2 7.211 CV 1 ASSI { 2051} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HE% ) 4.500 2.500 1.500 peak 2051 spectrum 1 weight 0.11000E+01 volume 0.11923E-03 ppm1 8.904 ppm2 7.344 CV 1 ASSI { 2055} (( segid " " and resid 49 and name HA )) ( segid " " and resid 81 and name HD% ) 3.900 1.900 1.900 peak 2055 spectrum 1 weight 0.11000E+01 volume 0.29339E-03 ppm1 4.460 ppm2 7.107 CV 1 ASSI { 2056} (( segid " " and resid 49 and name HB )) ( segid " " and resid 81 and name HD% ) 3.400 1.400 1.400 peak 2056 spectrum 1 weight 0.11000E+01 volume 0.69256E-03 ppm1 4.386 ppm2 7.107 CV 1 ASSI { 2057} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 81 and name HD% ) 3.600 1.600 1.600 peak 2057 spectrum 1 weight 0.11000E+01 volume 0.48231E-03 ppm1 1.189 ppm2 7.100 CV 1 ASSI { 2058} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 81 and name HE% ) 3.800 1.800 1.800 peak 2058 spectrum 1 weight 0.11000E+01 volume 0.34365E-03 ppm1 1.200 ppm2 6.797 CV 1 ASSI { 2059} ( segid " " and resid 51 and name HD1%) ( segid " " and resid 81 and name HD% ) 3.400 1.400 1.400 peak 2059 spectrum 1 weight 0.11000E+01 volume 0.66628E-03 ppm1 0.745 ppm2 7.100 CV 1 ASSI { 2060} ( segid " " and resid 51 and name HD1%) ( segid " " and resid 81 and name HE% ) 3.300 1.400 1.400 peak 2060 spectrum 1 weight 0.11000E+01 volume 0.70501E-03 ppm1 0.745 ppm2 6.797 CV 1 ASSI { 2061} (( segid " " and resid 20 and name HA )) (( segid " " and resid 22 and name HE1 )) 4.200 2.200 1.800 peak 2061 spectrum 1 weight 0.11000E+01 volume 0.17628E-03 ppm1 4.188 ppm2 7.715 CV 1 ASSI { 2062} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 81 and name HD% ) 3.800 1.800 1.800 peak 2062 spectrum 1 weight 0.11000E+01 volume 0.33107E-03 ppm1 3.983 ppm2 7.107 CV 1 ASSI { 2065} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 11 and name HE% ) 2.700 2.700 3.300 peak 2065 spectrum 1 weight 0.11000E+01 volume 0.23709E-02 ppm1 1.008 ppm2 7.302 CV 1 ASSI { 2066} ( segid " " and resid 13 and name HG1%) ( segid " " and resid 77 and name HE% ) 2.900 1.000 1.000 peak 2066 spectrum 1 weight 0.11000E+01 volume 0.17646E-02 ppm1 0.989 ppm2 7.341 CV 1 ASSI { 2067} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 77 and name HE% ) 3.500 1.500 1.500 peak 2067 spectrum 1 weight 0.11000E+01 volume 0.53764E-03 ppm1 0.809 ppm2 7.341 CV 1 ASSI { 3} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG2 )) 2.800 1.000 1.000 peak 3 spectrum 1 weight 0.11000E+01 volume 0.22089E-02 ppm1 8.265 ppm2 2.238 CV 1 ASSI { 4} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.300 0.600 0.600 peak 4 spectrum 1 weight 0.11000E+01 volume 0.74276E-02 ppm1 8.530 ppm2 4.156 CV 1 ASSI { 5} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB2 )) 2.300 0.600 0.600 peak 5 spectrum 1 weight 0.11000E+01 volume 0.74151E-02 ppm1 8.530 ppm2 1.921 CV 1 ASSI { 16} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HD2%) 3.500 1.500 1.500 peak 16 spectrum 1 weight 0.11000E+01 volume 0.60538E-03 ppm1 8.712 ppm2 0.753 CV 1 ASSI { 17} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 3.000 1.100 1.100 peak 17 spectrum 1 weight 0.11000E+01 volume 0.14836E-02 ppm1 8.240 ppm2 5.360 CV 1 ASSI { 18} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 2.600 0.800 0.800 peak 18 spectrum 1 weight 0.11000E+01 volume 0.37131E-02 ppm1 8.240 ppm2 2.753 CV 1 ASSI { 21} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG )) 3.100 1.200 1.200 peak 21 spectrum 1 weight 0.11000E+01 volume 0.10632E-02 ppm1 9.316 ppm2 1.505 CV 1 ASSI { 26} (( segid " " and resid 13 and name HN )) ( segid " " and resid 13 and name HG1%) 2.800 1.000 1.000 peak 26 spectrum 1 weight 0.11000E+01 volume 0.22314E-02 ppm1 9.161 ppm2 0.914 CV 1 ASSI { 31} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.900 1.100 1.100 peak 31 spectrum 1 weight 0.11000E+01 volume 0.16342E-02 ppm1 8.633 ppm2 4.459 CV 1 ASSI { 32} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.500 0.800 0.800 peak 32 spectrum 1 weight 0.11000E+01 volume 0.47127E-02 ppm1 8.633 ppm2 3.975 CV 1 ASSI { 33} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA1 )) 2.800 1.000 1.000 peak 33 spectrum 1 weight 0.11000E+01 volume 0.21914E-02 ppm1 8.586 ppm2 4.245 CV 1 ASSI { 35} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.500 1.500 1.500 peak 35 spectrum 1 weight 0.11000E+01 volume 0.60683E-03 ppm1 8.201 ppm2 2.784 CV 1 ASSI { 37} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.900 1.000 1.000 peak 37 spectrum 1 weight 0.11000E+01 volume 0.18679E-02 ppm1 8.568 ppm2 2.090 CV 1 ASSI { 38} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HG2 )) 2.900 1.000 1.000 peak 38 spectrum 1 weight 0.11000E+01 volume 0.17997E-02 ppm1 8.568 ppm2 2.295 CV 1 ASSI { 42} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.300 0.600 0.600 peak 42 spectrum 1 weight 0.11000E+01 volume 0.73589E-02 ppm1 7.969 ppm2 1.772 CV 1 ASSI { 47} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 2.600 0.900 0.900 peak 47 spectrum 1 weight 0.11000E+01 volume 0.32559E-02 ppm1 7.886 ppm2 1.635 CV 1 ASSI { 49} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HD2 )) 3.700 1.700 1.700 peak 49 spectrum 1 weight 0.11000E+01 volume 0.37843E-03 ppm1 7.886 ppm2 2.882 CV 1 ASSI { 50} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.400 0.700 0.700 peak 50 spectrum 1 weight 0.11000E+01 volume 0.48488E-02 ppm1 9.195 ppm2 4.857 CV 1 ASSI { 62} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.900 1.100 1.100 peak 62 spectrum 1 weight 0.11000E+01 volume 0.17304E-02 ppm1 8.212 ppm2 4.770 CV 1 ASSI { 64} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HG2 )) 2.600 0.800 0.800 peak 64 spectrum 1 weight 0.11000E+01 volume 0.35432E-02 ppm1 8.212 ppm2 2.163 CV 1 ASSI { 67} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HG1%) 3.200 1.300 1.300 peak 67 spectrum 1 weight 0.11000E+01 volume 0.93392E-03 ppm1 8.604 ppm2 0.870 CV 1 ASSI { 68} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HG2%) 2.600 0.800 0.800 peak 68 spectrum 1 weight 0.11000E+01 volume 0.35770E-02 ppm1 8.604 ppm2 0.761 CV 1 ASSI { 69} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 2.400 0.700 0.700 peak 69 spectrum 1 weight 0.11000E+01 volume 0.52836E-02 ppm1 8.548 ppm2 4.916 CV 1 ASSI { 71} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG2 )) 2.800 1.000 1.000 peak 71 spectrum 1 weight 0.11000E+01 volume 0.23082E-02 ppm1 8.548 ppm2 1.455 CV 1 ASSI { 72} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HD2 )) 3.400 1.400 1.400 peak 72 spectrum 1 weight 0.11000E+01 volume 0.69653E-03 ppm1 8.548 ppm2 3.240 CV 1 ASSI { 78} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.000 1.100 1.100 peak 78 spectrum 1 weight 0.11000E+01 volume 0.14773E-02 ppm1 7.864 ppm2 4.173 CV 1 ASSI { 80} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.200 0.600 0.600 peak 80 spectrum 1 weight 0.11000E+01 volume 0.82022E-02 ppm1 7.763 ppm2 4.005 CV 1 ASSI { 82} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.700 0.900 0.900 peak 82 spectrum 1 weight 0.11000E+01 volume 0.23932E-02 ppm1 9.270 ppm2 4.598 CV 1 ASSI { 98} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG2 )) 3.300 1.300 1.300 peak 98 spectrum 1 weight 0.11000E+01 volume 0.83834E-03 ppm1 9.025 ppm2 1.704 CV 1 ASSI { 100} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HE2 )) 3.700 1.700 1.700 peak 100 spectrum 1 weight 0.11000E+01 volume 0.38394E-03 ppm1 9.025 ppm2 2.832 CV 1 ASSI { 101} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 2.600 0.800 0.800 peak 101 spectrum 1 weight 0.11000E+01 volume 0.36907E-02 ppm1 8.013 ppm2 4.299 CV 1 ASSI { 104} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.400 0.700 0.700 peak 104 spectrum 1 weight 0.11000E+01 volume 0.54205E-02 ppm1 7.763 ppm2 2.500 CV 1 ASSI { 106} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.900 1.000 1.000 peak 106 spectrum 1 weight 0.11000E+01 volume 0.18341E-02 ppm1 8.641 ppm2 3.293 CV 1 ASSI { 108} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HG2%) 3.000 1.100 1.100 peak 108 spectrum 1 weight 0.11000E+01 volume 0.14031E-02 ppm1 8.641 ppm2 0.723 CV 1 ASSI { 118} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) 2.400 0.700 0.700 peak 118 spectrum 1 weight 0.11000E+01 volume 0.58540E-02 ppm1 7.230 ppm2 1.544 CV 1 ASSI { 120} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HD2 )) 2.600 0.900 0.900 peak 120 spectrum 1 weight 0.11000E+01 volume 0.30317E-02 ppm1 7.230 ppm2 1.524 CV 1 ASSI { 125} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA1 )) 2.300 0.600 0.600 peak 125 spectrum 1 weight 0.11000E+01 volume 0.74963E-02 ppm1 8.931 ppm2 4.239 CV 1 ASSI { 128} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HG2%) 3.100 1.200 1.200 peak 128 spectrum 1 weight 0.11000E+01 volume 0.12644E-02 ppm1 7.688 ppm2 0.861 CV 1 ASSI { 131} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.300 0.700 0.700 peak 131 spectrum 1 weight 0.11000E+01 volume 0.71902E-02 ppm1 8.167 ppm2 4.340 CV 1 ASSI { 132} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB )) 3.000 1.100 1.100 peak 132 spectrum 1 weight 0.11000E+01 volume 0.14393E-02 ppm1 8.167 ppm2 2.113 CV 1 ASSI { 134} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG12)) 2.600 0.800 0.800 peak 134 spectrum 1 weight 0.11000E+01 volume 0.33527E-02 ppm1 8.167 ppm2 1.518 CV 1 ASSI { 138} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG2 )) 2.800 1.000 1.000 peak 138 spectrum 1 weight 0.11000E+01 volume 0.23339E-02 ppm1 9.173 ppm2 2.393 CV 1 ASSI { 143} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB2 )) 2.400 0.700 0.700 peak 143 spectrum 1 weight 0.11000E+01 volume 0.49950E-02 ppm1 7.289 ppm2 1.951 CV 1 ASSI { 144} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG2 )) 2.500 0.800 0.800 peak 144 spectrum 1 weight 0.11000E+01 volume 0.46277E-02 ppm1 7.289 ppm2 2.530 CV 1 ASSI { 154} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.300 0.700 0.700 peak 154 spectrum 1 weight 0.11000E+01 volume 0.66404E-02 ppm1 9.106 ppm2 5.142 CV 1 ASSI { 155} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB )) 2.900 1.000 1.000 peak 155 spectrum 1 weight 0.11000E+01 volume 0.17860E-02 ppm1 9.106 ppm2 3.827 CV 1 ASSI { 156} (( segid " " and resid 53 and name HN )) ( segid " " and resid 53 and name HG2%) 3.000 1.100 1.100 peak 156 spectrum 1 weight 0.11000E+01 volume 0.14973E-02 ppm1 9.106 ppm2 0.955 CV 1 ASSI { 157} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.800 1.000 1.000 peak 157 spectrum 1 weight 0.11000E+01 volume 0.20553E-02 ppm1 8.847 ppm2 4.937 CV 1 ASSI { 159} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HG )) 3.600 1.600 1.600 peak 159 spectrum 1 weight 0.11000E+01 volume 0.50956E-03 ppm1 8.847 ppm2 1.588 CV 1 ASSI { 160} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HD1%) 3.600 1.600 1.600 peak 160 spectrum 1 weight 0.11000E+01 volume 0.46627E-03 ppm1 8.847 ppm2 0.957 CV 1 ASSI { 163} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.800 1.800 1.800 peak 163 spectrum 1 weight 0.11000E+01 volume 0.35332E-03 ppm1 10.248 ppm2 3.092 CV 1 ASSI { 164} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA1 )) 2.400 0.700 0.700 peak 164 spectrum 1 weight 0.11000E+01 volume 0.52680E-02 ppm1 8.845 ppm2 4.243 CV 1 ASSI { 174} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 2.300 0.700 0.700 peak 174 spectrum 1 weight 0.11000E+01 volume 0.71403E-02 ppm1 8.688 ppm2 3.883 CV 1 ASSI { 175} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.900 1.000 1.000 peak 175 spectrum 1 weight 0.11000E+01 volume 0.19109E-02 ppm1 8.688 ppm2 1.422 CV 1 ASSI { 180} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB2 )) 2.500 0.800 0.800 peak 180 spectrum 1 weight 0.11000E+01 volume 0.39349E-02 ppm1 8.058 ppm2 2.153 CV 1 ASSI { 181} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG2 )) 2.700 0.900 0.900 peak 181 spectrum 1 weight 0.11000E+01 volume 0.24588E-02 ppm1 8.058 ppm2 2.473 CV 1 ASSI { 183} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.700 0.900 0.900 peak 183 spectrum 1 weight 0.11000E+01 volume 0.29511E-02 ppm1 8.539 ppm2 2.624 CV 1 ASSI { 186} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HG2 )) 3.400 1.500 1.500 peak 186 spectrum 1 weight 0.11000E+01 volume 0.61038E-03 ppm1 7.489 ppm2 1.683 CV 1 ASSI { 190} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 2.400 0.700 0.700 peak 190 spectrum 1 weight 0.11000E+01 volume 0.54360E-02 ppm1 9.187 ppm2 2.269 CV 1 ASSI { 192} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 2.800 1.000 1.000 peak 192 spectrum 1 weight 0.11000E+01 volume 0.19246E-02 ppm1 8.803 ppm2 4.778 CV 1 ASSI { 193} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB2 )) 2.600 0.900 0.900 peak 193 spectrum 1 weight 0.11000E+01 volume 0.32284E-02 ppm1 8.803 ppm2 2.432 CV 1 ASSI { 194} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HG2 )) 2.600 0.800 0.800 peak 194 spectrum 1 weight 0.11000E+01 volume 0.35770E-02 ppm1 8.803 ppm2 2.508 CV 1 ASSI { 195} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 2.600 0.800 0.800 peak 195 spectrum 1 weight 0.11000E+01 volume 0.32803E-02 ppm1 8.887 ppm2 4.199 CV 1 ASSI { 200} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 200 spectrum 1 weight 0.11000E+01 volume 0.27099E-02 ppm1 7.737 ppm2 3.352 CV 1 ASSI { 207} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.700 0.900 0.900 peak 207 spectrum 1 weight 0.11000E+01 volume 0.25618E-02 ppm1 7.986 ppm2 4.497 CV 1 ASSI { 209} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HG2 )) 2.600 0.800 0.800 peak 209 spectrum 1 weight 0.11000E+01 volume 0.33970E-02 ppm1 7.986 ppm2 1.759 CV 1 ASSI { 214} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD2 )) 2.800 1.000 1.000 peak 214 spectrum 1 weight 0.11000E+01 volume 0.21633E-02 ppm1 8.529 ppm2 1.597 CV 1 ASSI { 216} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA1 )) 2.400 0.700 0.700 peak 216 spectrum 1 weight 0.11000E+01 volume 0.52200E-02 ppm1 9.213 ppm2 4.326 CV 1 ASSI { 218} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 2.300 0.600 0.600 peak 218 spectrum 1 weight 0.11000E+01 volume 0.74151E-02 ppm1 7.727 ppm2 2.823 CV 1 ASSI { 219} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.11000E+01 volume 0.53399E-02 ppm1 8.287 ppm2 5.035 CV 1 ASSI { 225} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) 2.500 0.800 0.800 peak 225 spectrum 1 weight 0.11000E+01 volume 0.41904E-02 ppm1 9.035 ppm2 1.667 CV 1 ASSI { 227} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HD1%) 3.300 1.400 1.400 peak 227 spectrum 1 weight 0.11000E+01 volume 0.79898E-03 ppm1 9.035 ppm2 0.668 CV 1 ASSI { 229} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.400 0.700 0.700 peak 229 spectrum 1 weight 0.11000E+01 volume 0.53318E-02 ppm1 8.924 ppm2 2.968 CV 1 ASSI { 233} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HD1%) 3.200 1.300 1.300 peak 233 spectrum 1 weight 0.11000E+01 volume 0.10251E-02 ppm1 8.604 ppm2 0.884 CV 1 ASSI { 234} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.800 1.000 1.000 peak 234 spectrum 1 weight 0.11000E+01 volume 0.20359E-02 ppm1 8.991 ppm2 4.617 CV 1 ASSI { 239} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) 2.600 0.900 0.900 peak 239 spectrum 1 weight 0.11000E+01 volume 0.30878E-02 ppm1 8.445 ppm2 3.011 CV 1 ASSI { 245} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG12)) 3.700 1.700 1.700 peak 245 spectrum 1 weight 0.11000E+01 volume 0.40755E-03 ppm1 8.216 ppm2 1.251 CV 1 ASSI { 251} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 2.300 0.600 0.600 peak 251 spectrum 1 weight 0.11000E+01 volume 0.79148E-02 ppm1 8.240 ppm2 4.612 CV 1 ASSI { 257} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) 3.500 1.500 1.500 peak 257 spectrum 1 weight 0.11000E+01 volume 0.60183E-03 ppm1 9.161 ppm2 1.981 CV 1 ASSI { 259} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 2.500 0.800 0.800 peak 259 spectrum 1 weight 0.11000E+01 volume 0.46221E-02 ppm1 8.730 ppm2 4.528 CV 1 ASSI { 261} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.300 1.300 1.300 peak 261 spectrum 1 weight 0.11000E+01 volume 0.82335E-03 ppm1 8.586 ppm2 4.459 CV 1 ASSI { 262} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.500 1.500 1.500 peak 262 spectrum 1 weight 0.11000E+01 volume 0.59190E-03 ppm1 8.586 ppm2 3.975 CV 1 ASSI { 264} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG2 )) 3.100 3.100 2.900 peak 264 spectrum 1 weight 0.11000E+01 volume 0.10657E-02 ppm1 8.633 ppm2 2.385 CV 1 ASSI { 265} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA1 )) 3.200 1.300 1.300 peak 265 spectrum 1 weight 0.11000E+01 volume 0.97077E-03 ppm1 8.201 ppm2 4.245 CV 1 ASSI { 267} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.300 1.400 1.400 peak 267 spectrum 1 weight 0.11000E+01 volume 0.73901E-03 ppm1 8.568 ppm2 2.784 CV 1 ASSI { 269} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HG2 )) 3.700 1.700 1.700 peak 269 spectrum 1 weight 0.11000E+01 volume 0.42660E-03 ppm1 7.991 ppm2 2.295 CV 1 ASSI { 270} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB2 )) 3.300 1.400 1.400 peak 270 spectrum 1 weight 0.11000E+01 volume 0.74151E-03 ppm1 7.991 ppm2 2.090 CV 1 ASSI { 271} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 2.400 2.400 3.600 peak 271 spectrum 1 weight 0.11000E+01 volume 0.59420E-02 ppm1 7.969 ppm2 4.182 CV 1 ASSI { 272} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HB% ) 2.800 1.000 1.000 peak 272 spectrum 1 weight 0.11000E+01 volume 0.22226E-02 ppm1 7.969 ppm2 1.369 CV 1 ASSI { 274} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HD2 )) 3.300 1.300 1.300 peak 274 spectrum 1 weight 0.11000E+01 volume 0.82896E-03 ppm1 7.886 ppm2 1.349 CV 1 ASSI { 275} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG2 )) 3.900 1.900 1.900 peak 275 spectrum 1 weight 0.11000E+01 volume 0.28386E-03 ppm1 7.886 ppm2 1.696 CV 1 ASSI { 277} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.100 1.200 1.200 peak 277 spectrum 1 weight 0.11000E+01 volume 0.12350E-02 ppm1 9.195 ppm2 1.635 CV 1 ASSI { 278} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG2 )) 3.200 1.300 1.300 peak 278 spectrum 1 weight 0.11000E+01 volume 0.10176E-02 ppm1 9.195 ppm2 1.506 CV 1 ASSI { 279} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HD2 )) 3.900 1.900 1.900 peak 279 spectrum 1 weight 0.11000E+01 volume 0.27218E-03 ppm1 9.195 ppm2 2.882 CV 1 ASSI { 281} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.400 0.700 0.700 peak 281 spectrum 1 weight 0.11000E+01 volume 0.57334E-02 ppm1 8.904 ppm2 4.857 CV 1 ASSI { 282} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.000 1.100 1.100 peak 282 spectrum 1 weight 0.11000E+01 volume 0.13431E-02 ppm1 8.904 ppm2 2.904 CV 1 ASSI { 286} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 2.200 0.600 0.600 peak 286 spectrum 1 weight 0.11000E+01 volume 0.97577E-02 ppm1 8.604 ppm2 4.770 CV 1 ASSI { 288} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HG2 )) 3.600 3.600 2.400 peak 288 spectrum 1 weight 0.11000E+01 volume 0.45565E-03 ppm1 8.604 ppm2 2.163 CV 1 ASSI { 289} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.100 1.200 1.200 peak 289 spectrum 1 weight 0.11000E+01 volume 0.11738E-02 ppm1 8.604 ppm2 1.843 CV 1 ASSI { 291} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB )) 2.900 1.000 1.000 peak 291 spectrum 1 weight 0.11000E+01 volume 0.18653E-02 ppm1 8.548 ppm2 1.940 CV 1 ASSI { 293} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HG2%) 3.100 1.200 1.200 peak 293 spectrum 1 weight 0.11000E+01 volume 0.11357E-02 ppm1 8.548 ppm2 0.761 CV 1 ASSI { 294} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.600 0.800 0.800 peak 294 spectrum 1 weight 0.11000E+01 volume 0.36907E-02 ppm1 9.272 ppm2 4.916 CV 1 ASSI { 295} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.900 1.100 1.100 peak 295 spectrum 1 weight 0.11000E+01 volume 0.17086E-02 ppm1 9.272 ppm2 1.989 CV 1 ASSI { 296} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 3.700 1.700 1.700 peak 296 spectrum 1 weight 0.11000E+01 volume 0.39499E-03 ppm1 7.864 ppm2 3.805 CV 1 ASSI { 297} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HD2 )) 4.000 2.000 2.000 peak 297 spectrum 1 weight 0.11000E+01 volume 0.25831E-03 ppm1 7.864 ppm2 3.300 CV 1 ASSI { 301} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.500 0.800 0.800 peak 301 spectrum 1 weight 0.11000E+01 volume 0.46446E-02 ppm1 9.270 ppm2 4.629 CV 1 ASSI { 302} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.900 1.100 1.100 peak 302 spectrum 1 weight 0.11000E+01 volume 0.16941E-02 ppm1 9.270 ppm2 4.005 CV 1 ASSI { 305} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HG2 )) 3.500 1.500 1.500 peak 305 spectrum 1 weight 0.11000E+01 volume 0.56922E-03 ppm1 7.763 ppm2 1.455 CV 1 ASSI { 306} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.800 1.000 1.000 peak 306 spectrum 1 weight 0.11000E+01 volume 0.20240E-02 ppm1 7.864 ppm2 1.989 CV 1 ASSI { 307} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.700 0.900 0.900 peak 307 spectrum 1 weight 0.11000E+01 volume 0.25338E-02 ppm1 7.763 ppm2 1.989 CV 1 ASSI { 309} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.500 0.800 0.800 peak 309 spectrum 1 weight 0.11000E+01 volume 0.42416E-02 ppm1 8.596 ppm2 4.598 CV 1 ASSI { 311} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.11000E+01 volume 0.21602E-02 ppm1 8.542 ppm2 4.598 CV 1 ASSI { 312} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 2.200 2.200 3.800 peak 312 spectrum 1 weight 0.11000E+01 volume 0.91330E-02 ppm1 8.542 ppm2 5.130 CV 1 ASSI { 313} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 3.300 1.300 1.300 peak 313 spectrum 1 weight 0.11000E+01 volume 0.86645E-03 ppm1 8.186 ppm2 4.071 CV 1 ASSI { 319} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB )) 2.900 1.100 1.100 peak 319 spectrum 1 weight 0.11000E+01 volume 0.15942E-02 ppm1 8.542 ppm2 2.149 CV 1 ASSI { 322} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.900 1.000 1.000 peak 322 spectrum 1 weight 0.11000E+01 volume 0.17941E-02 ppm1 7.970 ppm2 2.589 CV 1 ASSI { 323} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 3.300 1.300 1.300 peak 323 spectrum 1 weight 0.11000E+01 volume 0.83584E-03 ppm1 9.025 ppm2 3.861 CV 1 ASSI { 327} (( segid " " and resid 36 and name HN )) (( segid " " and resid 33 and name HA )) 3.000 1.200 1.200 peak 327 spectrum 1 weight 0.11000E+01 volume 0.13168E-02 ppm1 9.025 ppm2 4.071 CV 1 ASSI { 337} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG2 )) 3.300 1.300 1.300 peak 337 spectrum 1 weight 0.11000E+01 volume 0.85333E-03 ppm1 8.641 ppm2 2.939 CV 1 ASSI { 339} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 3.400 1.400 1.400 peak 339 spectrum 1 weight 0.11000E+01 volume 0.70840E-03 ppm1 8.477 ppm2 3.293 CV 1 ASSI { 340} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB )) 2.900 1.000 1.000 peak 340 spectrum 1 weight 0.11000E+01 volume 0.17492E-02 ppm1 8.477 ppm2 2.230 CV 1 ASSI { 342} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HD1%) 4.000 2.000 2.000 peak 342 spectrum 1 weight 0.11000E+01 volume 0.24838E-03 ppm1 8.477 ppm2 0.758 CV 1 ASSI { 345} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 2.900 1.000 1.000 peak 345 spectrum 1 weight 0.11000E+01 volume 0.17547E-02 ppm1 7.230 ppm2 3.968 CV 1 ASSI { 346} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.11000E+01 volume 0.22146E-02 ppm1 7.230 ppm2 4.284 CV 1 ASSI { 347} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HG2%) 3.200 1.300 1.300 peak 347 spectrum 1 weight 0.11000E+01 volume 0.93953E-03 ppm1 7.230 ppm2 1.328 CV 1 ASSI { 349} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB2 )) 2.800 1.000 1.000 peak 349 spectrum 1 weight 0.11000E+01 volume 0.19446E-02 ppm1 7.796 ppm2 1.544 CV 1 ASSI { 350} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HD2 )) 3.600 1.600 1.600 peak 350 spectrum 1 weight 0.11000E+01 volume 0.47339E-03 ppm1 7.796 ppm2 1.524 CV 1 ASSI { 351} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HG2 )) 4.000 2.000 2.000 peak 351 spectrum 1 weight 0.11000E+01 volume 0.26968E-03 ppm1 7.796 ppm2 1.605 CV 1 ASSI { 353} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 3.400 1.400 1.400 peak 353 spectrum 1 weight 0.11000E+01 volume 0.67842E-03 ppm1 8.931 ppm2 4.534 CV 1 ASSI { 356} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HA )) 3.900 1.900 1.900 peak 356 spectrum 1 weight 0.11000E+01 volume 0.31266E-03 ppm1 8.931 ppm2 3.968 CV 1 ASSI { 357} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA )) 3.700 1.700 1.700 peak 357 spectrum 1 weight 0.11000E+01 volume 0.41955E-03 ppm1 7.796 ppm2 3.968 CV 1 ASSI { 358} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HA1 )) 3.400 1.400 1.400 peak 358 spectrum 1 weight 0.11000E+01 volume 0.70965E-03 ppm1 7.796 ppm2 4.239 CV 1 ASSI { 363} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.400 1.500 1.500 peak 363 spectrum 1 weight 0.11000E+01 volume 0.61038E-03 ppm1 9.173 ppm2 4.062 CV 1 ASSI { 364} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.600 2.600 3.400 peak 364 spectrum 1 weight 0.11000E+01 volume 0.30111E-02 ppm1 9.173 ppm2 2.309 CV 1 ASSI { 367} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.700 0.900 0.900 peak 367 spectrum 1 weight 0.11000E+01 volume 0.24532E-02 ppm1 8.712 ppm2 2.041 CV 1 ASSI { 370} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG2 )) 3.300 1.300 1.300 peak 370 spectrum 1 weight 0.11000E+01 volume 0.87206E-03 ppm1 9.087 ppm2 2.146 CV 1 ASSI { 373} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HG2 )) 3.000 1.100 1.100 peak 373 spectrum 1 weight 0.11000E+01 volume 0.13731E-02 ppm1 7.910 ppm2 2.393 CV 1 ASSI { 374} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB2 )) 3.200 1.300 1.300 peak 374 spectrum 1 weight 0.11000E+01 volume 0.89268E-03 ppm1 7.910 ppm2 2.131 CV 1 ASSI { 375} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HB2 )) 3.600 1.600 1.600 peak 375 spectrum 1 weight 0.11000E+01 volume 0.47764E-03 ppm1 7.910 ppm2 1.951 CV 1 ASSI { 379} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HG2%) 3.300 1.300 1.300 peak 379 spectrum 1 weight 0.11000E+01 volume 0.82209E-03 ppm1 7.289 ppm2 1.194 CV 1 ASSI { 381} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HA )) 3.700 1.700 1.700 peak 381 spectrum 1 weight 0.11000E+01 volume 0.42310E-03 ppm1 7.289 ppm2 4.176 CV 1 ASSI { 389} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HG12)) 3.400 1.500 1.500 peak 389 spectrum 1 weight 0.11000E+01 volume 0.61607E-03 ppm1 9.173 ppm2 1.518 CV 1 ASSI { 390} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HG12)) 3.000 1.100 1.100 peak 390 spectrum 1 weight 0.11000E+01 volume 0.14955E-02 ppm1 7.910 ppm2 1.518 CV 1 ASSI { 392} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HG12)) 3.500 1.500 1.500 peak 392 spectrum 1 weight 0.11000E+01 volume 0.55286E-03 ppm1 8.900 ppm2 0.880 CV 1 ASSI { 396} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HG1%) 3.600 1.600 1.600 peak 396 spectrum 1 weight 0.11000E+01 volume 0.47621E-03 ppm1 9.106 ppm2 0.943 CV 1 ASSI { 399} (( segid " " and resid 54 and name HN )) ( segid " " and resid 53 and name HG2%) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.11000E+01 volume 0.23988E-02 ppm1 8.847 ppm2 0.955 CV 1 ASSI { 403} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.11000E+01 volume 0.84834E-02 ppm1 8.653 ppm2 4.763 CV 1 ASSI { 404} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB2 )) 2.900 1.000 1.000 peak 404 spectrum 1 weight 0.11000E+01 volume 0.19078E-02 ppm1 8.653 ppm2 2.056 CV 1 ASSI { 405} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG2 )) 3.900 1.900 1.900 peak 405 spectrum 1 weight 0.11000E+01 volume 0.30266E-03 ppm1 8.653 ppm2 1.842 CV 1 ASSI { 406} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HD2 )) 3.300 1.400 1.400 peak 406 spectrum 1 weight 0.11000E+01 volume 0.78087E-03 ppm1 8.653 ppm2 1.661 CV 1 ASSI { 409} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HG )) 3.700 1.700 1.700 peak 409 spectrum 1 weight 0.11000E+01 volume 0.39699E-03 ppm1 8.058 ppm2 1.275 CV 1 ASSI { 410} (( segid " " and resid 60 and name HN )) ( segid " " and resid 59 and name HD2%) 3.000 1.100 1.100 peak 410 spectrum 1 weight 0.11000E+01 volume 0.14918E-02 ppm1 8.058 ppm2 0.079 CV 1 ASSI { 413} (( segid " " and resid 58 and name HN )) ( segid " " and resid 59 and name HD2%) 3.500 1.600 1.600 peak 413 spectrum 1 weight 0.11000E+01 volume 0.53587E-03 ppm1 8.653 ppm2 0.079 CV 1 ASSI { 415} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG2 )) 3.900 1.900 1.900 peak 415 spectrum 1 weight 0.11000E+01 volume 0.31516E-03 ppm1 8.539 ppm2 2.473 CV 1 ASSI { 417} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA1 )) 2.700 0.900 0.900 peak 417 spectrum 1 weight 0.11000E+01 volume 0.24188E-02 ppm1 7.489 ppm2 4.398 CV 1 ASSI { 418} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.600 1.600 1.600 peak 418 spectrum 1 weight 0.11000E+01 volume 0.46202E-03 ppm1 7.489 ppm2 2.624 CV 1 ASSI { 427} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HG2 )) 2.700 0.900 0.900 peak 427 spectrum 1 weight 0.11000E+01 volume 0.28504E-02 ppm1 8.887 ppm2 2.508 CV 1 ASSI { 432} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 3.400 1.400 1.400 peak 432 spectrum 1 weight 0.11000E+01 volume 0.71089E-03 ppm1 7.737 ppm2 4.386 CV 1 ASSI { 435} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HA1 )) 3.500 1.500 1.500 peak 435 spectrum 1 weight 0.11000E+01 volume 0.60826E-03 ppm1 7.737 ppm2 4.000 CV 1 ASSI { 436} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA1 )) 2.500 0.800 0.800 peak 436 spectrum 1 weight 0.11000E+01 volume 0.44003E-02 ppm1 6.709 ppm2 4.000 CV 1 ASSI { 437} (( segid " " and resid 70 and name HN )) (( segid " " and resid 66 and name HA )) 3.100 1.200 1.200 peak 437 spectrum 1 weight 0.11000E+01 volume 0.11981E-02 ppm1 6.709 ppm2 4.199 CV 1 ASSI { 438} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB )) 2.900 1.000 1.000 peak 438 spectrum 1 weight 0.11000E+01 volume 0.17547E-02 ppm1 7.986 ppm2 1.621 CV 1 ASSI { 442} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.600 0.900 0.900 peak 442 spectrum 1 weight 0.11000E+01 volume 0.31559E-02 ppm1 8.529 ppm2 1.944 CV 1 ASSI { 443} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HG2 )) 3.300 1.300 1.300 peak 443 spectrum 1 weight 0.11000E+01 volume 0.86395E-03 ppm1 8.529 ppm2 1.759 CV 1 ASSI { 444} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HD2 )) 3.600 1.600 1.600 peak 444 spectrum 1 weight 0.11000E+01 volume 0.50250E-03 ppm1 8.529 ppm2 3.282 CV 1 ASSI { 447} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA1 )) 2.700 0.900 0.900 peak 447 spectrum 1 weight 0.11000E+01 volume 0.24612E-02 ppm1 7.727 ppm2 4.326 CV 1 ASSI { 449} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 2.600 0.800 0.800 peak 449 spectrum 1 weight 0.11000E+01 volume 0.34127E-02 ppm1 8.287 ppm2 2.823 CV 1 ASSI { 452} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 2.300 0.700 0.700 peak 452 spectrum 1 weight 0.11000E+01 volume 0.72339E-02 ppm1 8.924 ppm2 5.030 CV 1 ASSI { 453} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.000 1.100 1.100 peak 453 spectrum 1 weight 0.11000E+01 volume 0.14055E-02 ppm1 8.924 ppm2 1.667 CV 1 ASSI { 454} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HG )) 3.700 1.700 1.700 peak 454 spectrum 1 weight 0.11000E+01 volume 0.42210E-03 ppm1 8.924 ppm2 1.578 CV 1 ASSI { 455} (( segid " " and resid 77 and name HN )) ( segid " " and resid 76 and name HD1%) 3.500 1.600 1.600 peak 455 spectrum 1 weight 0.11000E+01 volume 0.53511E-03 ppm1 8.924 ppm2 0.668 CV 1 ASSI { 457} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.100 1.200 1.200 peak 457 spectrum 1 weight 0.11000E+01 volume 0.10945E-02 ppm1 8.604 ppm2 2.968 CV 1 ASSI { 460} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG )) 3.300 1.300 1.300 peak 460 spectrum 1 weight 0.11000E+01 volume 0.87145E-03 ppm1 8.991 ppm2 0.812 CV 1 ASSI { 462} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 2.700 0.900 0.900 peak 462 spectrum 1 weight 0.11000E+01 volume 0.27180E-02 ppm1 8.356 ppm2 4.617 CV 1 ASSI { 467} (( segid " " and resid 74 and name HN )) (( segid " " and resid 10 and name HA )) 3.400 1.500 1.500 peak 467 spectrum 1 weight 0.11000E+01 volume 0.65217E-03 ppm1 7.727 ppm2 4.612 CV 1 ASSI { 479} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG2 )) 3.300 1.300 1.300 peak 479 spectrum 1 weight 0.11000E+01 volume 0.86145E-03 ppm1 8.530 ppm2 2.238 CV 1 ASSI { 480} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD1%) 3.200 1.300 1.300 peak 480 spectrum 1 weight 0.11000E+01 volume 0.97514E-03 ppm1 8.240 ppm2 0.817 CV 1 ASSI { 484} (( segid " " and resid 26 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.700 1.700 1.700 peak 484 spectrum 1 weight 0.11000E+01 volume 0.38494E-03 ppm1 8.604 ppm2 1.921 CV 1 ASSI { 486} (( segid " " and resid 26 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.500 1.500 1.500 peak 486 spectrum 1 weight 0.11000E+01 volume 0.54154E-03 ppm1 8.604 ppm2 1.698 CV 1 ASSI { 487} (( segid " " and resid 26 and name HN )) (( segid " " and resid 7 and name HA )) 3.700 1.700 1.700 peak 487 spectrum 1 weight 0.11000E+01 volume 0.39599E-03 ppm1 8.604 ppm2 4.156 CV 1 ASSI { 490} (( segid " " and resid 8 and name HN )) ( segid " " and resid 26 and name HG2%) 4.300 2.300 1.700 peak 490 spectrum 1 weight 0.11000E+01 volume 0.15854E-03 ppm1 9.087 ppm2 0.761 CV 1 ASSI { 492} (( segid " " and resid 10 and name HN )) (( segid " " and resid 25 and name HA )) 3.300 1.300 1.300 peak 492 spectrum 1 weight 0.11000E+01 volume 0.82709E-03 ppm1 8.712 ppm2 4.770 CV 1 ASSI { 494} (( segid " " and resid 73 and name HN )) (( segid " " and resid 9 and name HB2 )) 4.500 2.500 1.500 peak 494 spectrum 1 weight 0.11000E+01 volume 0.13037E-03 ppm1 9.213 ppm2 2.041 CV 1 ASSI { 495} (( segid " " and resid 73 and name HN )) (( segid " " and resid 9 and name HG2 )) 3.500 1.500 1.500 peak 495 spectrum 1 weight 0.11000E+01 volume 0.54860E-03 ppm1 9.213 ppm2 2.325 CV 1 ASSI { 497} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HG2 )) 4.100 2.100 1.900 peak 497 spectrum 1 weight 0.11000E+01 volume 0.23170E-03 ppm1 9.213 ppm2 1.793 CV 1 ASSI { 499} (( segid " " and resid 11 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.600 1.600 1.600 peak 499 spectrum 1 weight 0.11000E+01 volume 0.50531E-03 ppm1 8.240 ppm2 1.667 CV 1 ASSI { 500} (( segid " " and resid 76 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.500 1.500 1.500 peak 500 spectrum 1 weight 0.11000E+01 volume 0.56066E-03 ppm1 9.035 ppm2 2.753 CV 1 ASSI { 502} (( segid " " and resid 12 and name HN )) (( segid " " and resid 22 and name HA )) 3.900 1.900 1.900 peak 502 spectrum 1 weight 0.11000E+01 volume 0.28280E-03 ppm1 9.316 ppm2 4.857 CV 1 ASSI { 504} (( segid " " and resid 12 and name HN )) ( segid " " and resid 24 and name HD1%) 3.900 1.900 1.900 peak 504 spectrum 1 weight 0.11000E+01 volume 0.27855E-03 ppm1 9.316 ppm2 0.730 CV 1 ASSI { 505} (( segid " " and resid 12 and name HN )) (( segid " " and resid 21 and name HB2 )) 4.000 2.000 2.000 peak 505 spectrum 1 weight 0.11000E+01 volume 0.23670E-03 ppm1 9.316 ppm2 1.635 CV 1 ASSI { 506} (( segid " " and resid 12 and name HN )) ( segid " " and resid 13 and name HG2%) 3.700 1.700 1.700 peak 506 spectrum 1 weight 0.11000E+01 volume 0.39249E-03 ppm1 9.316 ppm2 0.583 CV 1 ASSI { 508} (( segid " " and resid 13 and name HN )) ( segid " " and resid 12 and name HD1%) 3.000 1.100 1.100 peak 508 spectrum 1 weight 0.11000E+01 volume 0.13231E-02 ppm1 9.161 ppm2 0.900 CV 1 ASSI { 509} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG )) 3.700 1.700 1.700 peak 509 spectrum 1 weight 0.11000E+01 volume 0.39899E-03 ppm1 9.161 ppm2 1.505 CV 1 ASSI { 510} (( segid " " and resid 13 and name HN )) ( segid " " and resid 76 and name HD1%) 4.100 2.100 1.900 peak 510 spectrum 1 weight 0.11000E+01 volume 0.22071E-03 ppm1 9.161 ppm2 0.668 CV 1 ASSI { 511} (( segid " " and resid 13 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.400 1.500 1.500 peak 511 spectrum 1 weight 0.11000E+01 volume 0.64218E-03 ppm1 9.161 ppm2 1.667 CV 1 ASSI { 513} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB )) 3.500 1.500 1.500 peak 513 spectrum 1 weight 0.11000E+01 volume 0.56710E-03 ppm1 8.730 ppm2 1.690 CV 1 ASSI { 515} (( segid " " and resid 14 and name HN )) (( segid " " and resid 21 and name HG2 )) 3.600 1.600 1.600 peak 515 spectrum 1 weight 0.11000E+01 volume 0.46134E-03 ppm1 8.730 ppm2 1.506 CV 1 ASSI { 516} (( segid " " and resid 14 and name HN )) (( segid " " and resid 21 and name HD2 )) 4.200 2.200 1.800 peak 516 spectrum 1 weight 0.11000E+01 volume 0.19015E-03 ppm1 8.730 ppm2 2.882 CV 1 ASSI { 517} (( segid " " and resid 15 and name HN )) (( segid " " and resid 79 and name HA )) 4.000 2.000 2.000 peak 517 spectrum 1 weight 0.11000E+01 volume 0.25444E-03 ppm1 8.633 ppm2 4.617 CV 1 ASSI { 518} (( segid " " and resid 15 and name HN )) ( segid " " and resid 79 and name HB% ) 3.700 1.700 1.700 peak 518 spectrum 1 weight 0.11000E+01 volume 0.42910E-03 ppm1 8.633 ppm2 1.434 CV 1 ASSI { 519} (( segid " " and resid 15 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.400 1.400 1.400 peak 519 spectrum 1 weight 0.11000E+01 volume 0.66655E-03 ppm1 8.633 ppm2 1.901 CV 1 ASSI { 520} (( segid " " and resid 15 and name HN )) (( segid " " and resid 78 and name HG )) 4.100 2.100 1.900 peak 520 spectrum 1 weight 0.11000E+01 volume 0.23101E-03 ppm1 8.633 ppm2 0.812 CV 1 ASSI { 521} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HA1 )) 4.200 2.200 1.800 peak 521 spectrum 1 weight 0.11000E+01 volume 0.20046E-03 ppm1 8.568 ppm2 4.245 CV 1 ASSI { 522} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.500 1.500 1.500 peak 522 spectrum 1 weight 0.11000E+01 volume 0.60614E-03 ppm1 7.991 ppm2 2.784 CV 1 ASSI { 526} (( segid " " and resid 20 and name HN )) (( segid " " and resid 14 and name HG2 )) 3.800 1.800 1.800 peak 526 spectrum 1 weight 0.11000E+01 volume 0.34327E-03 ppm1 7.969 ppm2 2.385 CV 1 ASSI { 527} (( segid " " and resid 20 and name HN )) ( segid " " and resid 13 and name HG1%) 3.900 1.900 1.900 peak 527 spectrum 1 weight 0.11000E+01 volume 0.30872E-03 ppm1 7.969 ppm2 0.914 CV 1 ASSI { 528} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.700 1.700 1.700 peak 528 spectrum 1 weight 0.11000E+01 volume 0.38343E-03 ppm1 7.969 ppm2 2.784 CV 1 ASSI { 529} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HA )) 3.500 1.500 1.500 peak 529 spectrum 1 weight 0.11000E+01 volume 0.57066E-03 ppm1 7.969 ppm2 4.143 CV 1 ASSI { 530} (( segid " " and resid 21 and name HN )) ( segid " " and resid 13 and name HG1%) 4.000 2.000 2.000 peak 530 spectrum 1 weight 0.11000E+01 volume 0.25369E-03 ppm1 7.886 ppm2 0.914 CV 1 ASSI { 531} (( segid " " and resid 22 and name HN )) (( segid " " and resid 12 and name HB2 )) 3.200 1.200 1.200 peak 531 spectrum 1 weight 0.11000E+01 volume 0.10476E-02 ppm1 9.195 ppm2 1.981 CV 1 ASSI { 532} (( segid " " and resid 22 and name HN )) (( segid " " and resid 11 and name HA )) 4.000 2.000 2.000 peak 532 spectrum 1 weight 0.11000E+01 volume 0.25975E-03 ppm1 9.195 ppm2 5.360 CV 1 ASSI { 534} (( segid " " and resid 22 and name HN )) ( segid " " and resid 13 and name HG2%) 3.700 1.700 1.700 peak 534 spectrum 1 weight 0.11000E+01 volume 0.40049E-03 ppm1 9.195 ppm2 0.583 CV 1 ASSI { 538} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HD1%) 3.800 1.800 1.800 peak 538 spectrum 1 weight 0.11000E+01 volume 0.34783E-03 ppm1 9.086 ppm2 0.751 CV 1 ASSI { 540} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HG )) 3.800 1.900 1.900 peak 540 spectrum 1 weight 0.11000E+01 volume 0.31616E-03 ppm1 8.212 ppm2 1.619 CV 1 ASSI { 542} (( segid " " and resid 26 and name HN )) (( segid " " and resid 10 and name HG )) 4.000 2.000 2.000 peak 542 spectrum 1 weight 0.11000E+01 volume 0.24838E-03 ppm1 8.604 ppm2 1.676 CV 1 ASSI { 543} (( segid " " and resid 26 and name HN )) ( segid " " and resid 10 and name HD1%) 3.700 1.700 1.700 peak 543 spectrum 1 weight 0.11000E+01 volume 0.39850E-03 ppm1 8.604 ppm2 0.817 CV 1 ASSI { 544} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.700 1.700 1.700 peak 544 spectrum 1 weight 0.11000E+01 volume 0.42261E-03 ppm1 8.604 ppm2 1.475 CV 1 ASSI { 545} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.100 1.200 1.200 peak 545 spectrum 1 weight 0.11000E+01 volume 0.11669E-02 ppm1 8.548 ppm2 4.005 CV 1 ASSI { 546} (( segid " " and resid 27 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.800 1.800 1.800 peak 546 spectrum 1 weight 0.11000E+01 volume 0.33327E-03 ppm1 8.548 ppm2 1.921 CV 1 ASSI { 548} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HD2 )) 3.900 3.900 2.100 peak 548 spectrum 1 weight 0.11000E+01 volume 0.31216E-03 ppm1 7.763 ppm2 3.300 CV 1 ASSI { 549} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HA )) 3.800 1.800 1.800 peak 549 spectrum 1 weight 0.11000E+01 volume 0.32971E-03 ppm1 7.864 ppm2 4.916 CV 1 ASSI { 550} (( segid " " and resid 30 and name HN )) (( segid " " and resid 65 and name HG2 )) 3.700 1.700 1.700 peak 550 spectrum 1 weight 0.11000E+01 volume 0.42461E-03 ppm1 7.763 ppm2 2.508 CV 1 ASSI { 553} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HA )) 3.800 1.800 1.800 peak 553 spectrum 1 weight 0.11000E+01 volume 0.35732E-03 ppm1 7.763 ppm2 4.916 CV 1 ASSI { 555} (( segid " " and resid 31 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.900 1.100 1.100 peak 555 spectrum 1 weight 0.11000E+01 volume 0.17141E-02 ppm1 9.270 ppm2 2.589 CV 1 ASSI { 556} (( segid " " and resid 31 and name HN )) (( segid " " and resid 64 and name HA )) 3.900 1.900 1.900 peak 556 spectrum 1 weight 0.11000E+01 volume 0.27855E-03 ppm1 9.270 ppm2 5.259 CV 1 ASSI { 558} (( segid " " and resid 32 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.500 1.500 1.500 peak 558 spectrum 1 weight 0.11000E+01 volume 0.60538E-03 ppm1 8.596 ppm2 2.455 CV 1 ASSI { 560} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HA )) 3.900 1.900 1.900 peak 560 spectrum 1 weight 0.11000E+01 volume 0.28636E-03 ppm1 8.186 ppm2 3.551 CV 1 ASSI { 561} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.700 3.700 2.300 peak 561 spectrum 1 weight 0.11000E+01 volume 0.40249E-03 ppm1 7.970 ppm2 1.880 CV 1 ASSI { 562} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HD2 )) 3.600 3.600 2.400 peak 562 spectrum 1 weight 0.11000E+01 volume 0.45209E-03 ppm1 7.970 ppm2 1.666 CV 1 ASSI { 564} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HA )) 3.900 1.900 1.900 peak 564 spectrum 1 weight 0.11000E+01 volume 0.31416E-03 ppm1 9.025 ppm2 4.071 CV 1 ASSI { 565} (( segid " " and resid 36 and name HN )) ( segid " " and resid 37 and name HB% ) 3.400 1.500 1.500 peak 565 spectrum 1 weight 0.11000E+01 volume 0.61251E-03 ppm1 9.025 ppm2 1.565 CV 1 ASSI { 566} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HD2 )) 3.700 1.700 1.700 peak 566 spectrum 1 weight 0.11000E+01 volume 0.41655E-03 ppm1 8.013 ppm2 1.666 CV 1 ASSI { 567} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HB )) 3.600 1.600 1.600 peak 567 spectrum 1 weight 0.11000E+01 volume 0.45278E-03 ppm1 8.013 ppm2 2.214 CV 1 ASSI { 569} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HG12)) 3.900 1.900 1.900 peak 569 spectrum 1 weight 0.11000E+01 volume 0.27286E-03 ppm1 7.763 ppm2 1.966 CV 1 ASSI { 570} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HB )) 4.400 2.400 1.600 peak 570 spectrum 1 weight 0.11000E+01 volume 0.13962E-03 ppm1 7.763 ppm2 2.230 CV 1 ASSI { 571} (( segid " " and resid 38 and name HN )) ( segid " " and resid 35 and name HG2%) 5.400 3.700 0.600 peak 571 spectrum 1 weight 0.11000E+01 volume 0.39668E-04 ppm1 7.763 ppm2 0.749 CV 1 ASSI { 573} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HA )) 4.300 2.300 1.700 peak 573 spectrum 1 weight 0.11000E+01 volume 0.15680E-03 ppm1 8.641 ppm2 4.299 CV 1 ASSI { 575} (( segid " " and resid 39 and name HN )) ( segid " " and resid 35 and name HG1%) 3.900 3.900 2.100 peak 575 spectrum 1 weight 0.11000E+01 volume 0.31416E-03 ppm1 8.641 ppm2 1.114 CV 1 ASSI { 576} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HD2 )) 4.000 2.000 2.000 peak 576 spectrum 1 weight 0.11000E+01 volume 0.25194E-03 ppm1 8.641 ppm2 1.666 CV 1 ASSI { 577} (( segid " " and resid 39 and name HN )) ( segid " " and resid 35 and name HG2%) 4.700 2.700 1.300 peak 577 spectrum 1 weight 0.11000E+01 volume 0.98077E-04 ppm1 8.641 ppm2 0.749 CV 1 ASSI { 578} (( segid " " and resid 40 and name HN )) (( segid " " and resid 47 and name HD2 )) 3.800 1.800 1.800 peak 578 spectrum 1 weight 0.11000E+01 volume 0.34783E-03 ppm1 8.477 ppm2 3.961 CV 1 ASSI { 580} (( segid " " and resid 40 and name HN )) (( segid " " and resid 50 and name HG2 )) 3.500 3.500 2.500 peak 580 spectrum 1 weight 0.11000E+01 volume 0.53087E-03 ppm1 8.477 ppm2 2.530 CV 1 ASSI { 582} (( segid " " and resid 42 and name HN )) (( segid " " and resid 38 and name HA )) 4.000 2.000 2.000 peak 582 spectrum 1 weight 0.11000E+01 volume 0.24912E-03 ppm1 7.230 ppm2 4.223 CV 1 ASSI { 586} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HA )) 4.200 2.200 1.800 peak 586 spectrum 1 weight 0.11000E+01 volume 0.19672E-03 ppm1 7.796 ppm2 3.941 CV 1 ASSI { 588} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name HG2 )) 3.700 1.700 1.700 peak 588 spectrum 1 weight 0.11000E+01 volume 0.39449E-03 ppm1 8.931 ppm2 2.023 CV 1 ASSI { 589} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HG2 )) 3.600 1.600 1.600 peak 589 spectrum 1 weight 0.11000E+01 volume 0.50607E-03 ppm1 7.688 ppm2 2.023 CV 1 ASSI { 590} (( segid " " and resid 45 and name HN )) ( segid " " and resid 43 and name HG2%) 3.700 1.700 1.700 peak 590 spectrum 1 weight 0.11000E+01 volume 0.39043E-03 ppm1 7.688 ppm2 0.856 CV 1 ASSI { 591} (( segid " " and resid 45 and name HN )) (( segid " " and resid 50 and name HG2 )) 3.700 1.800 1.800 peak 591 spectrum 1 weight 0.11000E+01 volume 0.37438E-03 ppm1 7.688 ppm2 2.530 CV 1 ASSI { 592} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD1%) 4.100 2.100 1.900 peak 592 spectrum 1 weight 0.11000E+01 volume 0.22177E-03 ppm1 8.167 ppm2 0.783 CV 1 ASSI { 594} (( segid " " and resid 46 and name HN )) (( segid " " and resid 50 and name HG2 )) 4.100 2.100 1.900 peak 594 spectrum 1 weight 0.11000E+01 volume 0.21826E-03 ppm1 8.167 ppm2 2.530 CV 1 ASSI { 595} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HD2 )) 3.700 1.700 1.700 peak 595 spectrum 1 weight 0.11000E+01 volume 0.40349E-03 ppm1 8.167 ppm2 3.961 CV 1 ASSI { 596} (( segid " " and resid 46 and name HN )) (( segid " " and resid 49 and name HB )) 3.800 1.800 1.800 peak 596 spectrum 1 weight 0.11000E+01 volume 0.36938E-03 ppm1 8.167 ppm2 4.239 CV 1 ASSI { 600} (( segid " " and resid 50 and name HN )) (( segid " " and resid 80 and name HA )) 3.900 1.900 1.900 peak 600 spectrum 1 weight 0.11000E+01 volume 0.29417E-03 ppm1 7.289 ppm2 4.815 CV 1 ASSI { 603} (( segid " " and resid 81 and name HN )) ( segid " " and resid 49 and name HG2%) 3.500 1.500 1.500 peak 603 spectrum 1 weight 0.11000E+01 volume 0.53942E-03 ppm1 8.445 ppm2 1.194 CV 1 ASSI { 604} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HB2 )) 4.100 2.100 1.900 peak 604 spectrum 1 weight 0.11000E+01 volume 0.21726E-03 ppm1 7.289 ppm2 2.131 CV 1 ASSI { 605} (( segid " " and resid 50 and name HN )) (( segid " " and resid 46 and name HG12)) 3.900 1.900 1.900 peak 605 spectrum 1 weight 0.11000E+01 volume 0.29842E-03 ppm1 7.289 ppm2 1.518 CV 1 ASSI { 606} (( segid " " and resid 51 and name HN )) ( segid " " and resid 78 and name HD1%) 2.900 1.100 1.100 peak 606 spectrum 1 weight 0.11000E+01 volume 0.16480E-02 ppm1 8.644 ppm2 0.884 CV 1 ASSI { 607} (( segid " " and resid 51 and name HN )) (( segid " " and resid 80 and name HA )) 3.200 1.200 1.200 peak 607 spectrum 1 weight 0.11000E+01 volume 0.10463E-02 ppm1 8.644 ppm2 4.815 CV 1 ASSI { 609} (( segid " " and resid 51 and name HN )) ( segid " " and resid 52 and name HG1%) 3.500 1.500 1.500 peak 609 spectrum 1 weight 0.11000E+01 volume 0.59053E-03 ppm1 8.644 ppm2 0.943 CV 1 ASSI { 613} (( segid " " and resid 52 and name HN )) ( segid " " and resid 51 and name HD1%) 4.000 2.000 2.000 peak 613 spectrum 1 weight 0.11000E+01 volume 0.25938E-03 ppm1 8.900 ppm2 0.699 CV 1 ASSI { 614} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB )) 3.700 1.700 1.700 peak 614 spectrum 1 weight 0.11000E+01 volume 0.38143E-03 ppm1 8.900 ppm2 1.751 CV 1 ASSI { 617} (( segid " " and resid 53 and name HN )) ( segid " " and resid 54 and name HD2%) 3.800 1.800 1.800 peak 617 spectrum 1 weight 0.11000E+01 volume 0.33327E-03 ppm1 9.106 ppm2 0.727 CV 1 ASSI { 618} (( segid " " and resid 53 and name HN )) (( segid " " and resid 78 and name HA )) 3.400 1.400 1.400 peak 618 spectrum 1 weight 0.11000E+01 volume 0.71840E-03 ppm1 9.106 ppm2 5.105 CV 1 ASSI { 619} (( segid " " and resid 53 and name HN )) (( segid " " and resid 76 and name HA )) 4.000 2.000 2.000 peak 619 spectrum 1 weight 0.11000E+01 volume 0.23882E-03 ppm1 9.106 ppm2 5.030 CV 1 ASSI { 620} (( segid " " and resid 53 and name HN )) (( segid " " and resid 58 and name HA )) 4.100 2.100 1.900 peak 620 spectrum 1 weight 0.11000E+01 volume 0.21352E-03 ppm1 9.106 ppm2 4.623 CV 1 ASSI { 623} (( segid " " and resid 54 and name HN )) (( segid " " and resid 57 and name HA )) 3.900 1.900 1.900 peak 623 spectrum 1 weight 0.11000E+01 volume 0.29485E-03 ppm1 8.847 ppm2 4.763 CV 1 ASSI { 625} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HA1 )) 4.200 2.200 1.800 peak 625 spectrum 1 weight 0.11000E+01 volume 0.18216E-03 ppm1 10.248 ppm2 4.243 CV 1 ASSI { 633} (( segid " " and resid 59 and name HN )) (( segid " " and resid 52 and name HB )) 3.300 1.400 1.400 peak 633 spectrum 1 weight 0.11000E+01 volume 0.75088E-03 ppm1 8.688 ppm2 1.728 CV 1 ASSI { 635} (( segid " " and resid 60 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.500 1.500 1.500 peak 635 spectrum 1 weight 0.11000E+01 volume 0.55504E-03 ppm1 8.058 ppm2 2.455 CV 1 ASSI { 638} (( segid " " and resid 60 and name HN )) (( segid " " and resid 63 and name HD2 )) 3.600 3.600 2.400 peak 638 spectrum 1 weight 0.11000E+01 volume 0.45422E-03 ppm1 8.058 ppm2 1.381 CV 1 ASSI { 639} (( segid " " and resid 61 and name HN )) ( segid " " and resid 32 and name HG2%) 3.800 1.800 1.800 peak 639 spectrum 1 weight 0.11000E+01 volume 0.31922E-03 ppm1 8.539 ppm2 0.732 CV 1 ASSI { 640} (( segid " " and resid 63 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.100 1.200 1.200 peak 640 spectrum 1 weight 0.11000E+01 volume 0.12707E-02 ppm1 7.489 ppm2 2.153 CV 1 ASSI { 643} (( segid " " and resid 64 and name HN )) (( segid " " and resid 31 and name HA )) 3.800 1.900 1.900 peak 643 spectrum 1 weight 0.11000E+01 volume 0.31565E-03 ppm1 9.187 ppm2 5.130 CV 1 ASSI { 644} (( segid " " and resid 64 and name HN )) (( segid " " and resid 67 and name HB2 )) 3.100 1.200 1.200 peak 644 spectrum 1 weight 0.11000E+01 volume 0.12107E-02 ppm1 9.187 ppm2 2.788 CV 1 ASSI { 649} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HA )) 3.600 1.700 1.700 peak 649 spectrum 1 weight 0.11000E+01 volume 0.44429E-03 ppm1 8.931 ppm2 4.044 CV 1 ASSI { 651} (( segid " " and resid 65 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.600 1.600 1.600 peak 651 spectrum 1 weight 0.11000E+01 volume 0.50531E-03 ppm1 8.803 ppm2 4.005 CV 1 ASSI { 652} (( segid " " and resid 65 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.800 1.800 1.800 peak 652 spectrum 1 weight 0.11000E+01 volume 0.33377E-03 ppm1 8.803 ppm2 4.598 CV 1 ASSI { 653} (( segid " " and resid 65 and name HN )) (( segid " " and resid 30 and name HA )) 4.200 2.200 1.800 peak 653 spectrum 1 weight 0.11000E+01 volume 0.19896E-03 ppm1 8.803 ppm2 4.629 CV 1 ASSI { 655} (( segid " " and resid 65 and name HN )) (( segid " " and resid 32 and name HA )) 4.200 2.200 1.800 peak 655 spectrum 1 weight 0.11000E+01 volume 0.19540E-03 ppm1 8.803 ppm2 3.551 CV 1 ASSI { 657} (( segid " " and resid 66 and name HN )) (( segid " " and resid 28 and name HA )) 3.600 1.600 1.600 peak 657 spectrum 1 weight 0.11000E+01 volume 0.46915E-03 ppm1 8.887 ppm2 3.805 CV 1 ASSI { 658} (( segid " " and resid 66 and name HN )) (( segid " " and resid 29 and name HA )) 3.400 1.500 1.500 peak 658 spectrum 1 weight 0.11000E+01 volume 0.61107E-03 ppm1 8.887 ppm2 4.411 CV 1 ASSI { 660} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HB2 )) 3.900 1.900 1.900 peak 660 spectrum 1 weight 0.11000E+01 volume 0.27392E-03 ppm1 8.887 ppm2 2.788 CV 1 ASSI { 661} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HG2 )) 3.500 1.500 1.500 peak 661 spectrum 1 weight 0.11000E+01 volume 0.59333E-03 ppm1 8.887 ppm2 2.770 CV 1 ASSI { 663} (( segid " " and resid 67 and name HN )) (( segid " " and resid 64 and name HA )) 4.300 2.300 1.700 peak 663 spectrum 1 weight 0.11000E+01 volume 0.16480E-03 ppm1 7.804 ppm2 5.259 CV 1 ASSI { 665} (( segid " " and resid 67 and name HN )) (( segid " " and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 665 spectrum 1 weight 0.11000E+01 volume 0.21552E-02 ppm1 7.804 ppm2 2.269 CV 1 ASSI { 666} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HB2 )) 4.000 2.000 2.000 peak 666 spectrum 1 weight 0.11000E+01 volume 0.26081E-03 ppm1 7.804 ppm2 3.352 CV 1 ASSI { 667} (( segid " " and resid 67 and name HN )) (( segid " " and resid 64 and name HG2 )) 3.600 1.600 1.600 peak 667 spectrum 1 weight 0.11000E+01 volume 0.46277E-03 ppm1 7.804 ppm2 2.770 CV 1 ASSI { 670} (( segid " " and resid 68 and name HN )) ( segid " " and resid 66 and name HB% ) 3.500 1.600 1.600 peak 670 spectrum 1 weight 0.11000E+01 volume 0.53161E-03 ppm1 7.737 ppm2 1.470 CV 1 ASSI { 672} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 672 spectrum 1 weight 0.11000E+01 volume 0.23139E-02 ppm1 7.737 ppm2 2.788 CV 1 ASSI { 673} (( segid " " and resid 65 and name HN )) (( segid " " and resid 67 and name HB2 )) 4.100 2.100 1.900 peak 673 spectrum 1 weight 0.11000E+01 volume 0.21826E-03 ppm1 8.803 ppm2 2.788 CV 1 ASSI { 674} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.900 1.900 1.900 peak 674 spectrum 1 weight 0.11000E+01 volume 0.27286E-03 ppm1 7.776 ppm2 3.352 CV 1 ASSI { 678} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HA )) 3.100 1.200 1.200 peak 678 spectrum 1 weight 0.11000E+01 volume 0.11738E-02 ppm1 7.986 ppm2 4.654 CV 1 ASSI { 679} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.000 1.200 1.200 peak 679 spectrum 1 weight 0.11000E+01 volume 0.12888E-02 ppm1 7.986 ppm2 2.823 CV 1 ASSI { 680} (( segid " " and resid 71 and name HN )) ( segid " " and resid 70 and name HG2%) 2.800 1.000 1.000 peak 680 spectrum 1 weight 0.11000E+01 volume 0.21977E-02 ppm1 7.986 ppm2 0.893 CV 1 ASSI { 682} (( segid " " and resid 73 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.800 1.800 1.800 peak 682 spectrum 1 weight 0.11000E+01 volume 0.36788E-03 ppm1 9.213 ppm2 1.698 CV 1 ASSI { 683} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HB2 )) 4.200 2.200 1.800 peak 683 spectrum 1 weight 0.11000E+01 volume 0.19946E-03 ppm1 9.213 ppm2 2.823 CV 1 ASSI { 685} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.800 1.800 1.800 peak 685 spectrum 1 weight 0.11000E+01 volume 0.36838E-03 ppm1 7.727 ppm2 1.944 CV 1 ASSI { 686} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.800 3.800 2.200 peak 686 spectrum 1 weight 0.11000E+01 volume 0.33527E-03 ppm1 7.727 ppm2 1.870 CV 1 ASSI { 687} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HG )) 3.900 1.900 1.900 peak 687 spectrum 1 weight 0.11000E+01 volume 0.31516E-03 ppm1 7.727 ppm2 1.578 CV 1 ASSI { 688} (( segid " " and resid 74 and name HN )) ( segid " " and resid 54 and name HD1%) 3.700 1.700 1.700 peak 688 spectrum 1 weight 0.11000E+01 volume 0.42061E-03 ppm1 7.727 ppm2 0.957 CV 1 ASSI { 689} (( segid " " and resid 75 and name HN )) ( segid " " and resid 54 and name HD1%) 3.400 1.400 1.400 peak 689 spectrum 1 weight 0.11000E+01 volume 0.72090E-03 ppm1 8.287 ppm2 0.957 CV 1 ASSI { 690} (( segid " " and resid 76 and name HN )) ( segid " " and resid 54 and name HD1%) 3.600 1.600 1.600 peak 690 spectrum 1 weight 0.11000E+01 volume 0.48545E-03 ppm1 9.035 ppm2 0.957 CV 1 ASSI { 692} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HG )) 3.900 1.900 1.900 peak 692 spectrum 1 weight 0.11000E+01 volume 0.27468E-03 ppm1 8.287 ppm2 1.578 CV 1 ASSI { 693} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG )) 3.900 1.900 1.900 peak 693 spectrum 1 weight 0.11000E+01 volume 0.27324E-03 ppm1 9.035 ppm2 1.770 CV 1 ASSI { 694} (( segid " " and resid 76 and name HN )) (( segid " " and resid 13 and name HB )) 4.100 2.100 1.900 peak 694 spectrum 1 weight 0.11000E+01 volume 0.21626E-03 ppm1 9.035 ppm2 1.690 CV 1 ASSI { 695} (( segid " " and resid 76 and name HN )) (( segid " " and resid 12 and name HA )) 2.800 1.000 1.000 peak 695 spectrum 1 weight 0.11000E+01 volume 0.20615E-02 ppm1 9.035 ppm2 5.057 CV 1 ASSI { 696} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HA )) 4.300 2.400 1.700 peak 696 spectrum 1 weight 0.11000E+01 volume 0.15399E-03 ppm1 9.035 ppm2 5.038 CV 1 ASSI { 697} (( segid " " and resid 77 and name HN )) (( segid " " and resid 54 and name HA )) 3.900 1.900 1.900 peak 697 spectrum 1 weight 0.11000E+01 volume 0.30054E-03 ppm1 8.924 ppm2 4.937 CV 1 ASSI { 698} (( segid " " and resid 77 and name HN )) (( segid " " and resid 52 and name HA )) 3.900 1.900 1.900 peak 698 spectrum 1 weight 0.11000E+01 volume 0.27392E-03 ppm1 8.924 ppm2 5.284 CV 1 ASSI { 700} (( segid " " and resid 78 and name HN )) (( segid " " and resid 15 and name HA )) 4.100 2.200 1.900 peak 700 spectrum 1 weight 0.11000E+01 volume 0.20172E-03 ppm1 8.604 ppm2 4.459 CV 1 ASSI { 702} (( segid " " and resid 78 and name HN )) (( segid " " and resid 15 and name HB2 )) 4.000 2.000 2.000 peak 702 spectrum 1 weight 0.11000E+01 volume 0.23701E-03 ppm1 8.604 ppm2 3.975 CV 1 ASSI { 703} (( segid " " and resid 78 and name HN )) ( segid " " and resid 13 and name HG1%) 3.400 1.500 1.500 peak 703 spectrum 1 weight 0.11000E+01 volume 0.64718E-03 ppm1 8.604 ppm2 0.914 CV 1 ASSI { 704} (( segid " " and resid 79 and name HN )) ( segid " " and resid 51 and name HG2%) 3.800 1.800 1.800 peak 704 spectrum 1 weight 0.11000E+01 volume 0.33527E-03 ppm1 8.991 ppm2 0.784 CV 1 ASSI { 705} (( segid " " and resid 79 and name HN )) ( segid " " and resid 52 and name HG2%) 3.600 1.600 1.600 peak 705 spectrum 1 weight 0.11000E+01 volume 0.45065E-03 ppm1 8.991 ppm2 0.734 CV 1 ASSI { 706} (( segid " " and resid 52 and name HN )) ( segid " " and resid 78 and name HD1%) 4.100 2.100 1.900 peak 706 spectrum 1 weight 0.11000E+01 volume 0.20321E-03 ppm1 8.900 ppm2 0.884 CV 1 ASSI { 708} (( segid " " and resid 79 and name HN )) (( segid " " and resid 50 and name HA )) 4.100 2.100 1.900 peak 708 spectrum 1 weight 0.11000E+01 volume 0.20921E-03 ppm1 8.991 ppm2 4.010 CV 1 ASSI { 709} (( segid " " and resid 79 and name HN )) (( segid " " and resid 51 and name HA )) 4.000 2.000 2.000 peak 709 spectrum 1 weight 0.11000E+01 volume 0.26081E-03 ppm1 8.991 ppm2 4.112 CV 1 ASSI { 710} (( segid " " and resid 80 and name HN )) (( segid " " and resid 15 and name HB2 )) 4.300 2.300 1.700 peak 710 spectrum 1 weight 0.11000E+01 volume 0.16960E-03 ppm1 8.356 ppm2 3.975 CV 1 ASSI { 714} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.300 0.600 0.600 peak 714 spectrum 1 weight 0.11000E+01 volume 0.73276E-02 ppm1 8.530 ppm2 2.008 CV 1 ASSI { 715} (( segid " " and resid 7 and name HN )) (( segid " " and resid 27 and name HG2 )) 3.500 1.500 1.500 peak 715 spectrum 1 weight 0.11000E+01 volume 0.56353E-03 ppm1 8.530 ppm2 1.455 CV 1 ASSI { 716} (( segid " " and resid 8 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.400 2.500 1.600 peak 716 spectrum 1 weight 0.11000E+01 volume 0.13250E-03 ppm1 9.087 ppm2 1.843 CV 1 ASSI { 717} (( segid " " and resid 8 and name HN )) (( segid " " and resid 26 and name HB )) 3.900 1.900 1.900 peak 717 spectrum 1 weight 0.11000E+01 volume 0.27255E-03 ppm1 9.087 ppm2 1.940 CV 1 ASSI { 719} (( segid " " and resid 10 and name HN )) (( segid " " and resid 73 and name HA1 )) 2.800 1.000 1.000 peak 719 spectrum 1 weight 0.11000E+01 volume 0.21465E-02 ppm1 8.712 ppm2 4.326 CV 1 ASSI { 721} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HA )) 3.400 1.400 1.400 peak 721 spectrum 1 weight 0.11000E+01 volume 0.71089E-03 ppm1 8.712 ppm2 5.360 CV 1 ASSI { 722} (( segid " " and resid 10 and name HN )) (( segid " " and resid 23 and name HG )) 3.600 1.600 1.600 peak 722 spectrum 1 weight 0.11000E+01 volume 0.49613E-03 ppm1 8.712 ppm2 1.223 CV 1 ASSI { 724} (( segid " " and resid 12 and name HN )) (( segid " " and resid 23 and name HB2 )) 4.200 2.200 1.800 peak 724 spectrum 1 weight 0.11000E+01 volume 0.18341E-03 ppm1 9.316 ppm2 1.728 CV 1 ASSI { 725} (( segid " " and resid 13 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.700 1.800 1.800 peak 725 spectrum 1 weight 0.11000E+01 volume 0.37088E-03 ppm1 9.161 ppm2 1.901 CV 1 ASSI { 726} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HA )) 4.500 2.500 1.500 peak 726 spectrum 1 weight 0.11000E+01 volume 0.12294E-03 ppm1 9.161 ppm2 4.542 CV 1 ASSI { 727} (( segid " " and resid 14 and name HN )) (( segid " " and resid 18 and name HA )) 4.000 2.000 2.000 peak 727 spectrum 1 weight 0.11000E+01 volume 0.25512E-03 ppm1 8.730 ppm2 4.143 CV 1 ASSI { 728} (( segid " " and resid 14 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.600 1.700 1.700 peak 728 spectrum 1 weight 0.11000E+01 volume 0.44641E-03 ppm1 8.730 ppm2 1.772 CV 1 ASSI { 729} (( segid " " and resid 15 and name HN )) ( segid " " and resid 78 and name HD1%) 4.300 2.300 1.700 peak 729 spectrum 1 weight 0.11000E+01 volume 0.15580E-03 ppm1 8.633 ppm2 0.884 CV 1 ASSI { 730} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HB2 )) 4.600 2.600 1.400 peak 730 spectrum 1 weight 0.11000E+01 volume 0.11051E-03 ppm1 8.586 ppm2 2.784 CV 1 ASSI { 731} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HB2 )) 4.300 2.300 1.700 peak 731 spectrum 1 weight 0.11000E+01 volume 0.16229E-03 ppm1 8.586 ppm2 2.326 CV 1 ASSI { 732} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HB2 )) 4.000 2.000 2.000 peak 732 spectrum 1 weight 0.11000E+01 volume 0.23419E-03 ppm1 8.201 ppm2 2.326 CV 1 ASSI { 734} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HB2 )) 4.000 2.000 2.000 peak 734 spectrum 1 weight 0.11000E+01 volume 0.24413E-03 ppm1 7.991 ppm2 1.772 CV 1 ASSI { 735} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA )) 4.100 2.100 1.900 peak 735 spectrum 1 weight 0.11000E+01 volume 0.21652E-03 ppm1 7.991 ppm2 4.183 CV 1 ASSI { 736} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.700 2.700 3.300 peak 736 spectrum 1 weight 0.11000E+01 volume 0.24332E-02 ppm1 7.886 ppm2 1.772 CV 1 ASSI { 738} (( segid " " and resid 23 and name HN )) (( segid " " and resid 11 and name HA )) 4.300 2.300 1.700 peak 738 spectrum 1 weight 0.11000E+01 volume 0.16054E-03 ppm1 8.904 ppm2 5.360 CV 1 ASSI { 739} (( segid " " and resid 24 and name HN )) (( segid " " and resid 10 and name HB2 )) 4.100 2.100 1.900 peak 739 spectrum 1 weight 0.11000E+01 volume 0.22920E-03 ppm1 9.086 ppm2 1.436 CV 1 ASSI { 740} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HB )) 3.800 1.800 1.800 peak 740 spectrum 1 weight 0.11000E+01 volume 0.33527E-03 ppm1 8.845 ppm2 3.827 CV 1 ASSI { 744} (( segid " " and resid 77 and name HN )) (( segid " " and resid 53 and name HB )) 3.500 1.500 1.500 peak 744 spectrum 1 weight 0.11000E+01 volume 0.58272E-03 ppm1 8.924 ppm2 3.827 CV 1 ASSI { 749} (( segid " " and resid 25 and name HN )) ( segid " " and resid 23 and name HD1%) 4.100 2.100 1.900 peak 749 spectrum 1 weight 0.11000E+01 volume 0.23245E-03 ppm1 8.212 ppm2 0.751 CV 1 ASSI { 751} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HB2 )) 4.000 2.000 2.000 peak 751 spectrum 1 weight 0.11000E+01 volume 0.24200E-03 ppm1 8.212 ppm2 1.728 CV 1 ASSI { 754} (( segid " " and resid 50 and name HN )) ( segid " " and resid 46 and name HD1%) 4.400 2.400 1.600 peak 754 spectrum 1 weight 0.11000E+01 volume 0.14973E-03 ppm1 7.289 ppm2 0.929 CV 1 ASSI { 757} (( segid " " and resid 28 and name HN )) ( segid " " and resid 35 and name HG1%) 4.200 4.200 1.800 peak 757 spectrum 1 weight 0.11000E+01 volume 0.19946E-03 ppm1 9.272 ppm2 1.114 CV 1 ASSI { 758} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HG2 )) 4.300 2.300 1.700 peak 758 spectrum 1 weight 0.11000E+01 volume 0.16835E-03 ppm1 7.969 ppm2 2.295 CV 1 ASSI { 761} (( segid " " and resid 53 and name HN )) ( segid " " and resid 78 and name HD1%) 4.000 2.000 2.000 peak 761 spectrum 1 weight 0.11000E+01 volume 0.25725E-03 ppm1 9.106 ppm2 0.884 CV 1 ASSI { 763} (( segid " " and resid 70 and name HN )) (( segid " " and resid 28 and name HD2 )) 4.100 2.100 1.900 peak 763 spectrum 1 weight 0.11000E+01 volume 0.20496E-03 ppm1 6.709 ppm2 3.300 CV 1 ASSI { 764} (( segid " " and resid 70 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.800 1.800 1.800 peak 764 spectrum 1 weight 0.11000E+01 volume 0.36132E-03 ppm1 6.709 ppm2 1.959 CV 1 ASSI { 765} (( segid " " and resid 28 and name HN )) ( segid " " and resid 70 and name HD1%) 4.100 2.100 1.900 peak 765 spectrum 1 weight 0.11000E+01 volume 0.21652E-03 ppm1 9.272 ppm2 0.725 CV 1 ASSI { 766} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HB2 )) 4.100 2.100 1.900 peak 766 spectrum 1 weight 0.11000E+01 volume 0.20846E-03 ppm1 9.272 ppm2 4.173 CV 1 ASSI { 767} (( segid " " and resid 31 and name HN )) ( segid " " and resid 35 and name HG1%) 4.200 2.200 1.800 peak 767 spectrum 1 weight 0.11000E+01 volume 0.19515E-03 ppm1 9.270 ppm2 1.114 CV 1 ASSI { 769} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HB2 )) 2.500 0.800 0.800 peak 769 spectrum 1 weight 0.11000E+01 volume 0.39574E-02 ppm1 6.709 ppm2 3.352 CV 1 ASSI { 770} (( segid " " and resid 68 and name HN )) (( segid " " and resid 64 and name HB2 )) 4.100 2.100 1.900 peak 770 spectrum 1 weight 0.11000E+01 volume 0.22745E-03 ppm1 7.737 ppm2 2.269 CV 1 ASSI { 771} (( segid " " and resid 68 and name HN )) (( segid " " and resid 65 and name HB2 )) 4.400 2.400 1.600 peak 771 spectrum 1 weight 0.11000E+01 volume 0.15130E-03 ppm1 7.737 ppm2 2.432 CV 1 ASSI { 772} (( segid " " and resid 69 and name HN )) ( segid " " and resid 66 and name HB% ) 4.500 2.600 1.500 peak 772 spectrum 1 weight 0.11000E+01 volume 0.12044E-03 ppm1 7.776 ppm2 1.470 CV 1 ASSI { 773} (( segid " " and resid 77 and name HN )) ( segid " " and resid 53 and name HG2%) 3.500 3.500 2.500 peak 773 spectrum 1 weight 0.11000E+01 volume 0.57915E-03 ppm1 8.924 ppm2 0.955 CV 1 ASSI { 774} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HA )) 4.100 2.100 1.900 peak 774 spectrum 1 weight 0.11000E+01 volume 0.22032E-03 ppm1 8.931 ppm2 4.275 CV 1 ASSI { 775} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.900 1.900 1.900 peak 775 spectrum 1 weight 0.11000E+01 volume 0.30516E-03 ppm1 8.931 ppm2 1.544 CV 1 ASSI { 777} (( segid " " and resid 36 and name HN )) ( segid " " and resid 39 and name HD1%) 4.100 2.100 1.900 peak 777 spectrum 1 weight 0.11000E+01 volume 0.21377E-03 ppm1 9.025 ppm2 0.758 CV 1 ASSI { 778} (( segid " " and resid 41 and name HN )) (( segid " " and resid 38 and name HA )) 4.400 2.400 1.600 peak 778 spectrum 1 weight 0.11000E+01 volume 0.14655E-03 ppm1 7.917 ppm2 4.223 CV 1 ASSI { 779} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HB )) 4.500 2.500 1.500 peak 779 spectrum 1 weight 0.11000E+01 volume 0.12913E-03 ppm1 8.477 ppm2 4.284 CV 1 ASSI { 780} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HA1 )) 4.300 2.400 1.700 peak 780 spectrum 1 weight 0.11000E+01 volume 0.15255E-03 ppm1 7.230 ppm2 4.239 CV 1 ASSI { 781} (( segid " " and resid 10 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.100 3.100 2.900 peak 781 spectrum 1 weight 0.11000E+01 volume 0.11795E-02 ppm1 8.712 ppm2 1.475 CV 1
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