NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
22416 | 2joh | 15394 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 6} (( segid " " and resid 218 and name HN )) ( segid " " and resid 217 and name HD% ) 3.500 1.500 1.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.80029E-03 ppm1 8.340 ppm2 6.155 CV 1 ASSI { 8} (( segid " " and resid 182 and name HN )) (( segid " " and resid 182 and name HB )) 2.200 0.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.26897E-02 ppm1 8.097 ppm2 4.495 CV 1 ASSI { 9} (( segid " " and resid 226 and name HN )) ( segid " " and resid 225 and name HD% ) 3.900 1.900 1.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.56822E-03 ppm1 8.104 ppm2 7.108 CV 1 ASSI { 10} (( segid " " and resid 182 and name HN )) (( segid " " and resid 178 and name HA )) 4.400 2.500 1.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.58458E-03 ppm1 8.097 ppm2 4.712 CV 1 ASSI { 13} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB1 )) 3.700 1.700 1.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 8.658 ppm2 1.691 CV 1 ASSI { 15} (( segid " " and resid 129 and name HN )) (( segid " " and resid 159 and name HE21)) 5.400 3.700 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.38842E-03 ppm1 8.048 ppm2 6.737 CV 1 ASSI { 45} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HD1%) 4.700 2.800 1.300 peak 45 spectrum 1 weight 0.10000E+01 volume 0.45674E-03 ppm1 8.522 ppm2 0.645 CV 1 ASSI { 46} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.700 0.900 0.900 peak 46 spectrum 1 weight 0.11000E+01 volume 0.38363E-02 ppm1 8.524 ppm2 4.335 CV 1 ASSI { 47} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB1 )) 3.800 1.800 1.800 peak 47 spectrum 1 weight 0.11000E+01 volume 0.84247E-03 ppm1 8.522 ppm2 1.553 CV 1 ASSI { 49} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HA2 )) 3.000 3.000 3.000 peak 49 spectrum 1 weight 0.11000E+01 volume 0.74961E-02 ppm1 8.524 ppm2 3.876 CV 1 ASSI { 50} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HN )) 2.800 1.000 1.000 peak 50 spectrum 1 weight 0.11000E+01 volume 0.28797E-02 ppm1 8.524 ppm2 8.366 CV 1 ASSI { 51} (( segid " " and resid 126 and name HN )) (( segid " " and resid 124 and name HA )) 4.300 2.300 1.700 peak 51 spectrum 1 weight 0.11000E+01 volume 0.37752E-03 ppm1 8.367 ppm2 4.300 CV 1 ASSI { 52} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA1 )) 2.700 0.900 0.900 peak 52 spectrum 1 weight 0.11000E+01 volume 0.37970E-02 ppm1 8.373 ppm2 3.761 CV 1 ASSI { 53} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA2 )) 2.700 0.900 0.900 peak 53 spectrum 1 weight 0.11000E+01 volume 0.61809E-02 ppm1 8.372 ppm2 3.900 CV 1 ASSI { 54} (( segid " " and resid 126 and name HN )) ( segid " " and resid 127 and name HD% ) 3.900 1.900 1.900 peak 54 spectrum 1 weight 0.11000E+01 volume 0.44385E-03 ppm1 8.373 ppm2 6.838 CV 1 ASSI { 56} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HG2 )) 5.000 5.000 1.000 peak 56 spectrum 1 weight 0.11000E+01 volume 0.26418E-03 ppm1 7.767 ppm2 1.975 CV 1 ASSI { 59} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA1 )) 3.600 1.600 1.600 peak 59 spectrum 1 weight 0.11000E+01 volume 0.18855E-02 ppm1 7.750 ppm2 3.763 CV 1 ASSI { 60} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA2 )) 2.900 1.100 1.100 peak 60 spectrum 1 weight 0.11000E+01 volume 0.22286E-02 ppm1 7.750 ppm2 3.905 CV 1 ASSI { 61} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HN )) 3.000 1.100 1.100 peak 61 spectrum 1 weight 0.11000E+01 volume 0.23829E-02 ppm1 7.756 ppm2 8.373 CV 1 ASSI { 62} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 3.000 1.200 1.200 peak 62 spectrum 1 weight 0.11000E+01 volume 0.17176E-02 ppm1 7.753 ppm2 4.409 CV 1 ASSI { 63} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.600 0.900 0.900 peak 63 spectrum 1 weight 0.11000E+01 volume 0.37684E-02 ppm1 7.753 ppm2 2.903 CV 1 ASSI { 64} (( segid " " and resid 127 and name HN )) ( segid " " and resid 127 and name HD% ) 3.000 1.100 1.100 peak 64 spectrum 1 weight 0.11000E+01 volume 0.36596E-02 ppm1 7.753 ppm2 6.838 CV 1 ASSI { 65} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HB1 )) 5.000 3.100 1.000 peak 65 spectrum 1 weight 0.11000E+01 volume 0.35834E-03 ppm1 7.748 ppm2 1.568 CV 1 ASSI { 66} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) 4.600 2.600 1.400 peak 66 spectrum 1 weight 0.11000E+01 volume 0.30844E-03 ppm1 7.748 ppm2 9.083 CV 1 ASSI { 67} (( segid " " and resid 127 and name HN )) (( segid " " and resid 163 and name HD2 )) 4.800 2.800 1.200 peak 67 spectrum 1 weight 0.11000E+01 volume 0.31970E-03 ppm1 7.748 ppm2 3.042 CV 1 ASSI { 68} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 2.500 0.800 0.800 peak 68 spectrum 1 weight 0.11000E+01 volume 0.36489E-02 ppm1 9.094 ppm2 4.414 CV 1 ASSI { 69} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB1 )) 3.600 1.700 1.700 peak 69 spectrum 1 weight 0.11000E+01 volume 0.12704E-02 ppm1 9.096 ppm2 2.837 CV 1 ASSI { 70} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB2 )) 4.100 2.200 1.900 peak 70 spectrum 1 weight 0.11000E+01 volume 0.10244E-02 ppm1 9.095 ppm2 2.920 CV 1 ASSI { 71} (( segid " " and resid 128 and name HN )) ( segid " " and resid 127 and name HD% ) 4.400 2.400 1.600 peak 71 spectrum 1 weight 0.11000E+01 volume 0.74739E-03 ppm1 9.097 ppm2 6.854 CV 1 ASSI { 74} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.600 2.600 3.400 peak 74 spectrum 1 weight 0.11000E+01 volume 0.36489E-02 ppm1 9.094 ppm2 4.414 CV 1 ASSI { 75} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB1 )) 3.700 1.700 1.700 peak 75 spectrum 1 weight 0.11000E+01 volume 0.88630E-03 ppm1 9.093 ppm2 1.583 CV 1 ASSI { 76} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 2.800 1.000 1.000 peak 76 spectrum 1 weight 0.11000E+01 volume 0.15679E-02 ppm1 9.094 ppm2 1.034 CV 1 ASSI { 77} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HG1 )) 3.800 1.800 1.800 peak 77 spectrum 1 weight 0.11000E+01 volume 0.13485E-02 ppm1 9.095 ppm2 2.202 CV 1 ASSI { 78} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HA )) 4.200 2.200 1.800 peak 78 spectrum 1 weight 0.11000E+01 volume 0.64212E-03 ppm1 9.094 ppm2 4.558 CV 1 ASSI { 79} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 5.200 3.300 0.800 peak 79 spectrum 1 weight 0.11000E+01 volume 0.32024E-03 ppm1 9.094 ppm2 8.046 CV 1 ASSI { 80} (( segid " " and resid 128 and name HN )) (( segid " " and resid 161 and name HA )) 4.400 2.400 1.600 peak 80 spectrum 1 weight 0.11000E+01 volume 0.37049E-03 ppm1 9.087 ppm2 5.561 CV 1 ASSI { 81} (( segid " " and resid 128 and name HN )) ( segid " " and resid 162 and name HD% ) 6.000 6.000 0.000 peak 81 spectrum 1 weight 0.11000E+01 volume 0.21877E-04 ppm1 9.114 ppm2 7.160 CV 1 ASSI { 82} (( segid " " and resid 128 and name HN )) (( segid " " and resid 162 and name HN )) 3.300 1.300 1.300 peak 82 spectrum 1 weight 0.11000E+01 volume 0.10956E-02 ppm1 9.095 ppm2 8.591 CV 1 ASSI { 83} (( segid " " and resid 128 and name HN )) (( segid " " and resid 163 and name HA )) 3.800 1.800 1.800 peak 83 spectrum 1 weight 0.11000E+01 volume 0.39395E-03 ppm1 9.095 ppm2 4.651 CV 1 ASSI { 84} (( segid " " and resid 128 and name HN )) (( segid " " and resid 163 and name HG1 )) 4.700 2.700 1.300 peak 84 spectrum 1 weight 0.11000E+01 volume 0.43942E-03 ppm1 9.095 ppm2 1.655 CV 1 ASSI { 85} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HE% ) 4.900 3.000 1.100 peak 85 spectrum 1 weight 0.11000E+01 volume 0.38503E-03 ppm1 8.052 ppm2 1.939 CV 1 ASSI { 86} (( segid " " and resid 129 and name HN )) ( segid " " and resid 161 and name HD% ) 4.400 2.400 1.600 peak 86 spectrum 1 weight 0.10000E+01 volume 0.32816E-03 ppm1 8.035 ppm2 6.890 CV 1 ASSI { 87} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.500 1.500 1.500 peak 87 spectrum 1 weight 0.11000E+01 volume 0.28047E-02 ppm1 8.046 ppm2 0.993 CV 1 ASSI { 88} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG1 )) 4.700 2.800 1.300 peak 88 spectrum 1 weight 0.11000E+01 volume 0.67465E-03 ppm1 8.051 ppm2 2.190 CV 1 ASSI { 89} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 2.400 0.700 0.700 peak 89 spectrum 1 weight 0.11000E+01 volume 0.63132E-02 ppm1 8.047 ppm2 4.493 CV 1 ASSI { 90} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB1 )) 2.300 2.300 3.700 peak 90 spectrum 1 weight 0.11000E+01 volume 0.44093E-02 ppm1 8.046 ppm2 1.590 CV 1 ASSI { 91} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 3.500 1.500 1.500 peak 91 spectrum 1 weight 0.11000E+01 volume 0.28047E-02 ppm1 8.046 ppm2 0.993 CV 1 ASSI { 92} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD1%) 4.000 2.000 2.000 peak 92 spectrum 1 weight 0.11000E+01 volume 0.83485E-03 ppm1 8.045 ppm2 0.611 CV 1 ASSI { 93} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD2%) 3.500 1.500 1.500 peak 93 spectrum 1 weight 0.11000E+01 volume 0.52104E-03 ppm1 8.045 ppm2 -0.020 CV 1 ASSI { 94} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HG )) 4.600 2.600 1.400 peak 94 spectrum 1 weight 0.11000E+01 volume 0.43757E-03 ppm1 8.031 ppm2 1.432 CV 1 ASSI { 95} (( segid " " and resid 129 and name HN )) (( segid " " and resid 130 and name HN )) 4.100 2.100 1.900 peak 95 spectrum 1 weight 0.11000E+01 volume 0.22112E-03 ppm1 8.049 ppm2 9.349 CV 1 ASSI { 96} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB1 )) 4.500 2.500 1.500 peak 96 spectrum 1 weight 0.11000E+01 volume 0.40852E-03 ppm1 9.331 ppm2 1.613 CV 1 ASSI { 97} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB2 )) 4.300 2.300 1.700 peak 97 spectrum 1 weight 0.11000E+01 volume 0.46673E-03 ppm1 9.333 ppm2 0.984 CV 1 ASSI { 98} (( segid " " and resid 130 and name HN )) ( segid " " and resid 129 and name HD1%) 5.100 3.300 0.900 peak 98 spectrum 1 weight 0.11000E+01 volume 0.35296E-03 ppm1 9.335 ppm2 0.617 CV 1 ASSI { 99} (( segid " " and resid 130 and name HN )) ( segid " " and resid 129 and name HD2%) 3.100 1.200 1.200 peak 99 spectrum 1 weight 0.11000E+01 volume 0.13204E-02 ppm1 9.335 ppm2 -0.018 CV 1 ASSI { 100} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HG )) 4.200 2.200 1.800 peak 100 spectrum 1 weight 0.11000E+01 volume 0.51727E-03 ppm1 9.335 ppm2 1.400 CV 1 ASSI { 101} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA1 )) 2.600 0.900 0.900 peak 101 spectrum 1 weight 0.11000E+01 volume 0.34160E-02 ppm1 9.335 ppm2 4.472 CV 1 ASSI { 102} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA2 )) 2.700 0.900 0.900 peak 102 spectrum 1 weight 0.11000E+01 volume 0.12668E-02 ppm1 9.336 ppm2 4.136 CV 1 ASSI { 104} (( segid " " and resid 130 and name HN )) (( segid " " and resid 159 and name HA )) 4.800 2.900 1.200 peak 104 spectrum 1 weight 0.11000E+01 volume 0.45784E-03 ppm1 9.330 ppm2 4.554 CV 1 ASSI { 105} (( segid " " and resid 130 and name HN )) ( segid " " and resid 162 and name HD% ) 3.800 3.800 2.200 peak 105 spectrum 1 weight 0.11000E+01 volume 0.47162E-03 ppm1 9.335 ppm2 7.163 CV 1 ASSI { 106} (( segid " " and resid 130 and name HN )) ( segid " " and resid 160 and name HG1%) 5.200 5.200 0.800 peak 106 spectrum 1 weight 0.11000E+01 volume 0.46673E-03 ppm1 9.336 ppm2 0.989 CV 1 ASSI { 108} (( segid " " and resid 130 and name HN )) (( segid " " and resid 161 and name HA )) 4.000 2.000 2.000 peak 108 spectrum 1 weight 0.11000E+01 volume 0.42019E-03 ppm1 9.334 ppm2 5.565 CV 1 ASSI { 109} (( segid " " and resid 130 and name HN )) ( segid " " and resid 162 and name HE% ) 3.900 3.900 2.100 peak 109 spectrum 1 weight 0.11000E+01 volume 0.95095E-03 ppm1 9.334 ppm2 6.482 CV 1 ASSI { 110} (( segid " " and resid 131 and name HN )) (( segid " " and resid 133 and name HA )) 3.900 1.900 1.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.84297E-03 ppm1 8.346 ppm2 4.747 CV 1 ASSI { 114} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA2 )) 2.300 0.700 0.700 peak 114 spectrum 1 weight 0.11000E+01 volume 0.30293E-02 ppm1 8.346 ppm2 4.134 CV 1 ASSI { 115} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HN )) 3.400 1.400 1.400 peak 115 spectrum 1 weight 0.11000E+01 volume 0.74182E-03 ppm1 8.346 ppm2 9.333 CV 1 ASSI { 116} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 2.300 0.600 0.600 peak 116 spectrum 1 weight 0.11000E+01 volume 0.74649E-02 ppm1 8.344 ppm2 4.408 CV 1 ASSI { 117} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB1 )) 2.800 1.000 1.000 peak 117 spectrum 1 weight 0.11000E+01 volume 0.38867E-02 ppm1 8.344 ppm2 3.914 CV 1 ASSI { 118} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 3.500 1.500 1.500 peak 118 spectrum 1 weight 0.11000E+01 volume 0.12299E-02 ppm1 8.339 ppm2 8.599 CV 1 ASSI { 119} (( segid " " and resid 131 and name HN )) (( segid " " and resid 159 and name HB2 )) 4.700 2.800 1.300 peak 119 spectrum 1 weight 0.11000E+01 volume 0.30165E-03 ppm1 8.340 ppm2 2.132 CV 1 ASSI { 123} (( segid " " and resid 132 and name HN )) (( segid " " and resid 129 and name HB1 )) 5.200 3.300 0.800 peak 123 spectrum 1 weight 0.11000E+01 volume 0.48769E-03 ppm1 8.612 ppm2 1.599 CV 1 ASSI { 124} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.200 1.300 1.300 peak 124 spectrum 1 weight 0.11000E+01 volume 0.33320E-02 ppm1 8.606 ppm2 3.938 CV 1 ASSI { 126} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 2.100 0.500 0.500 peak 126 spectrum 1 weight 0.11000E+01 volume 0.10694E-01 ppm1 8.606 ppm2 4.388 CV 1 ASSI { 127} (( segid " " and resid 132 and name HN )) ( segid " " and resid 132 and name HB% ) 2.500 0.800 0.800 peak 127 spectrum 1 weight 0.11000E+01 volume 0.82235E-02 ppm1 8.606 ppm2 1.260 CV 1 ASSI { 128} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HB2 )) 4.300 2.400 1.700 peak 128 spectrum 1 weight 0.11000E+01 volume 0.50495E-03 ppm1 8.602 ppm2 1.982 CV 1 ASSI { 129} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) 3.600 1.600 1.600 peak 129 spectrum 1 weight 0.11000E+01 volume 0.52678E-03 ppm1 8.605 ppm2 8.833 CV 1 ASSI { 130} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HA )) 4.300 2.300 1.700 peak 130 spectrum 1 weight 0.11000E+01 volume 0.12281E-02 ppm1 8.572 ppm2 4.746 CV 1 ASSI { 131} (( segid " " and resid 132 and name HN )) (( segid " " and resid 159 and name HB2 )) 3.900 1.900 1.900 peak 131 spectrum 1 weight 0.11000E+01 volume 0.75240E-03 ppm1 8.607 ppm2 2.130 CV 1 ASSI { 133} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 2.400 0.700 0.700 peak 133 spectrum 1 weight 0.11000E+01 volume 0.66899E-02 ppm1 8.822 ppm2 4.360 CV 1 ASSI { 134} (( segid " " and resid 133 and name HN )) ( segid " " and resid 132 and name HB% ) 3.300 1.400 1.400 peak 134 spectrum 1 weight 0.11000E+01 volume 0.21097E-02 ppm1 8.823 ppm2 1.260 CV 1 ASSI { 135} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.900 1.100 1.100 peak 135 spectrum 1 weight 0.11000E+01 volume 0.14756E-02 ppm1 8.817 ppm2 4.715 CV 1 ASSI { 136} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB1 )) 3.700 1.700 1.700 peak 136 spectrum 1 weight 0.11000E+01 volume 0.15423E-02 ppm1 8.823 ppm2 2.082 CV 1 ASSI { 137} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.200 1.300 1.300 peak 137 spectrum 1 weight 0.11000E+01 volume 0.15838E-02 ppm1 8.819 ppm2 1.953 CV 1 ASSI { 138} (( segid " " and resid 133 and name HN )) ( segid " " and resid 133 and name HE% ) 4.300 4.300 1.700 peak 138 spectrum 1 weight 0.11000E+01 volume 0.15146E-02 ppm1 8.830 ppm2 1.988 CV 1 ASSI { 139} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG1 )) 2.800 1.000 1.000 peak 139 spectrum 1 weight 0.11000E+01 volume 0.17370E-02 ppm1 8.820 ppm2 2.427 CV 1 ASSI { 140} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG2 )) 3.700 1.700 1.700 peak 140 spectrum 1 weight 0.11000E+01 volume 0.13541E-02 ppm1 8.823 ppm2 2.498 CV 1 ASSI { 141} (( segid " " and resid 133 and name HN )) (( segid " " and resid 158 and name HA )) 4.000 2.000 2.000 peak 141 spectrum 1 weight 0.11000E+01 volume 0.14756E-02 ppm1 8.817 ppm2 4.715 CV 1 ASSI { 142} (( segid " " and resid 133 and name HN )) (( segid " " and resid 158 and name HB2 )) 4.100 2.100 1.900 peak 142 spectrum 1 weight 0.11000E+01 volume 0.70884E-03 ppm1 8.824 ppm2 3.667 CV 1 ASSI { 143} (( segid " " and resid 133 and name HN )) (( segid " " and resid 159 and name HA )) 4.100 2.100 1.900 peak 143 spectrum 1 weight 0.11000E+01 volume 0.38478E-03 ppm1 8.813 ppm2 4.583 CV 1 ASSI { 144} (( segid " " and resid 133 and name HN )) (( segid " " and resid 159 and name HG2 )) 4.600 2.600 1.400 peak 144 spectrum 1 weight 0.11000E+01 volume 0.85776E-03 ppm1 8.813 ppm2 2.373 CV 1 OR { 144} (( segid " " and resid 133 and name HN )) (( segid " " and resid 159 and name HG1 )) ASSI { 145} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.300 0.700 0.700 peak 145 spectrum 1 weight 0.11000E+01 volume 0.58325E-02 ppm1 8.425 ppm2 4.725 CV 1 ASSI { 146} (( segid " " and resid 134 and name HN )) ( segid " " and resid 132 and name HB% ) 4.900 3.000 1.100 peak 146 spectrum 1 weight 0.11000E+01 volume 0.29611E-03 ppm1 8.423 ppm2 1.244 CV 1 ASSI { 147} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.600 1.600 1.600 peak 147 spectrum 1 weight 0.11000E+01 volume 0.22524E-02 ppm1 8.427 ppm2 1.947 CV 1 ASSI { 148} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HG2 )) 4.100 2.100 1.900 peak 148 spectrum 1 weight 0.11000E+01 volume 0.66280E-03 ppm1 8.426 ppm2 2.513 CV 1 ASSI { 149} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA )) 2.700 0.900 0.900 peak 149 spectrum 1 weight 0.11000E+01 volume 0.33905E-02 ppm1 8.426 ppm2 4.324 CV 1 ASSI { 150} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB2 )) 2.700 0.900 0.900 peak 150 spectrum 1 weight 0.11000E+01 volume 0.40694E-02 ppm1 8.427 ppm2 3.766 CV 1 ASSI { 151} (( segid " " and resid 134 and name HN )) (( segid " " and resid 136 and name HG2 )) 4.000 2.000 2.000 peak 151 spectrum 1 weight 0.11000E+01 volume 0.21711E-02 ppm1 8.430 ppm2 2.082 CV 1 ASSI { 152} (( segid " " and resid 134 and name HN )) ( segid " " and resid 212 and name HE% ) 3.800 1.800 1.800 peak 152 spectrum 1 weight 0.11000E+01 volume 0.75629E-03 ppm1 8.430 ppm2 2.182 CV 1 ASSI { 154} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HB1 )) 3.800 1.800 1.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.26449E-03 ppm1 8.589 ppm2 2.035 CV 1 ASSI { 155} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 2.400 0.700 0.700 peak 155 spectrum 1 weight 0.11000E+01 volume 0.70811E-02 ppm1 8.596 ppm2 4.332 CV 1 ASSI { 156} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB1 )) 4.100 2.100 1.900 peak 156 spectrum 1 weight 0.11000E+01 volume 0.55010E-03 ppm1 8.595 ppm2 3.690 CV 1 ASSI { 157} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB2 )) 3.700 1.800 1.800 peak 157 spectrum 1 weight 0.11000E+01 volume 0.12921E-02 ppm1 8.597 ppm2 3.811 CV 1 ASSI { 158} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 3.200 1.300 1.300 peak 158 spectrum 1 weight 0.11000E+01 volume 0.83513E-03 ppm1 8.593 ppm2 8.425 CV 1 ASSI { 159} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.700 0.900 0.900 peak 159 spectrum 1 weight 0.11000E+01 volume 0.16260E-02 ppm1 8.602 ppm2 4.384 CV 1 ASSI { 160} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB1 )) 2.800 1.000 1.000 peak 160 spectrum 1 weight 0.11000E+01 volume 0.39073E-02 ppm1 8.596 ppm2 1.834 CV 1 ASSI { 161} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HD1 )) 4.600 2.700 1.400 peak 161 spectrum 1 weight 0.11000E+01 volume 0.41027E-03 ppm1 8.595 ppm2 3.021 CV 1 ASSI { 162} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HD2 )) 5.300 3.600 0.700 peak 162 spectrum 1 weight 0.11000E+01 volume 0.20960E-03 ppm1 8.595 ppm2 3.117 CV 1 ASSI { 163} (( segid " " and resid 135 and name HN )) (( segid " " and resid 137 and name HG )) 3.600 3.600 2.400 peak 163 spectrum 1 weight 0.11000E+01 volume 0.23644E-02 ppm1 8.596 ppm2 1.636 CV 1 ASSI { 164} (( segid " " and resid 135 and name HN )) (( segid " " and resid 158 and name HB2 )) 3.900 1.900 1.900 peak 164 spectrum 1 weight 0.11000E+01 volume 0.31947E-03 ppm1 8.596 ppm2 3.636 CV 1 ASSI { 165} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HG )) 2.500 0.800 0.800 peak 165 spectrum 1 weight 0.11000E+01 volume 0.36702E-02 ppm1 8.666 ppm2 1.621 CV 1 ASSI { 166} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HG2 )) 3.600 1.600 1.600 peak 166 spectrum 1 weight 0.11000E+01 volume 0.19982E-03 ppm1 8.659 ppm2 2.029 CV 1 ASSI { 167} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HA )) 2.500 2.500 3.500 peak 167 spectrum 1 weight 0.11000E+01 volume 0.77803E-02 ppm1 8.665 ppm2 4.379 CV 1 ASSI { 168} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB1 )) 4.100 2.100 1.900 peak 168 spectrum 1 weight 0.11000E+01 volume 0.11435E-02 ppm1 8.666 ppm2 2.214 CV 1 ASSI { 169} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.600 0.900 0.900 peak 169 spectrum 1 weight 0.11000E+01 volume 0.19035E-02 ppm1 8.667 ppm2 4.535 CV 1 ASSI { 170} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.000 1.100 1.100 peak 170 spectrum 1 weight 0.11000E+01 volume 0.16509E-02 ppm1 8.665 ppm2 1.507 CV 1 ASSI { 171} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HG12)) 4.400 2.400 1.600 peak 171 spectrum 1 weight 0.11000E+01 volume 0.68456E-03 ppm1 8.665 ppm2 0.878 CV 1 ASSI { 173} (( segid " " and resid 137 and name HN )) (( segid " " and resid 139 and name HN )) 5.000 3.100 1.000 peak 173 spectrum 1 weight 0.11000E+01 volume 0.26300E-03 ppm1 8.664 ppm2 8.285 CV 1 ASSI { 174} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.800 1.800 1.800 peak 174 spectrum 1 weight 0.11000E+01 volume 0.81706E-03 ppm1 6.977 ppm2 1.519 CV 1 ASSI { 175} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB1 )) 3.700 1.700 1.700 peak 175 spectrum 1 weight 0.11000E+01 volume 0.86736E-03 ppm1 6.973 ppm2 1.640 CV 1 ASSI { 176} (( segid " " and resid 138 and name HN )) (( segid " " and resid 136 and name HG2 )) 4.800 2.900 1.200 peak 176 spectrum 1 weight 0.11000E+01 volume 0.28890E-03 ppm1 6.978 ppm2 2.034 CV 1 ASSI { 177} (( segid " " and resid 138 and name HN )) (( segid " " and resid 136 and name HB2 )) 4.100 2.100 1.900 peak 177 spectrum 1 weight 0.11000E+01 volume 0.38202E-03 ppm1 6.967 ppm2 1.770 CV 1 ASSI { 178} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.000 0.500 0.500 peak 178 spectrum 1 weight 0.11000E+01 volume 0.68421E-02 ppm1 6.975 ppm2 4.536 CV 1 ASSI { 179} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HN )) 3.400 1.500 1.500 peak 179 spectrum 1 weight 0.11000E+01 volume 0.68360E-03 ppm1 6.975 ppm2 8.662 CV 1 ASSI { 180} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 2.900 1.000 1.000 peak 180 spectrum 1 weight 0.11000E+01 volume 0.16532E-02 ppm1 6.977 ppm2 3.892 CV 1 ASSI { 181} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HD1%) 3.100 3.100 2.900 peak 181 spectrum 1 weight 0.11000E+01 volume 0.50288E-03 ppm1 6.972 ppm2 0.369 CV 1 ASSI { 182} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HG11)) 3.700 1.700 1.700 peak 182 spectrum 1 weight 0.11000E+01 volume 0.18742E-02 ppm1 6.975 ppm2 0.674 CV 1 ASSI { 183} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HG12)) 2.300 0.600 0.600 peak 183 spectrum 1 weight 0.11000E+01 volume 0.20193E-02 ppm1 6.976 ppm2 0.868 CV 1 ASSI { 184} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HA )) 4.900 3.000 1.100 peak 184 spectrum 1 weight 0.11000E+01 volume 0.28148E-03 ppm1 6.984 ppm2 4.910 CV 1 ASSI { 185} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HD1 )) 3.600 1.600 1.600 peak 185 spectrum 1 weight 0.11000E+01 volume 0.10631E-02 ppm1 6.974 ppm2 12.634 CV 1 ASSI { 186} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HN )) 3.300 1.300 1.300 peak 186 spectrum 1 weight 0.11000E+01 volume 0.59465E-03 ppm1 6.974 ppm2 8.291 CV 1 ASSI { 187} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HE1 )) 3.800 3.800 2.200 peak 187 spectrum 1 weight 0.11000E+01 volume 0.85645E-03 ppm1 6.975 ppm2 7.252 CV 1 ASSI { 188} (( segid " " and resid 138 and name HN )) ( segid " " and resid 208 and name HG1%) 3.400 1.400 1.400 peak 188 spectrum 1 weight 0.11000E+01 volume 0.27907E-02 ppm1 6.975 ppm2 1.085 CV 1 ASSI { 189} (( segid " " and resid 139 and name HN )) (( segid " " and resid 146 and name HA )) 5.500 3.800 0.500 peak 189 spectrum 1 weight 0.10000E+01 volume 0.17569E-03 ppm1 8.284 ppm2 4.675 CV 1 ASSI { 191} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA )) 2.400 2.400 3.600 peak 191 spectrum 1 weight 0.11000E+01 volume 0.76204E-02 ppm1 8.293 ppm2 3.904 CV 1 ASSI { 192} (( segid " " and resid 139 and name HN )) ( segid " " and resid 138 and name HD1%) 4.900 3.000 1.100 peak 192 spectrum 1 weight 0.11000E+01 volume 0.36679E-03 ppm1 8.298 ppm2 0.372 CV 1 ASSI { 193} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG11)) 5.200 3.300 0.800 peak 193 spectrum 1 weight 0.11000E+01 volume 0.34613E-03 ppm1 8.294 ppm2 0.680 CV 1 ASSI { 194} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG12)) 4.300 2.300 1.700 peak 194 spectrum 1 weight 0.11000E+01 volume 0.33005E-03 ppm1 8.296 ppm2 0.870 CV 1 ASSI { 196} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.800 1.000 1.000 peak 196 spectrum 1 weight 0.11000E+01 volume 0.16955E-02 ppm1 8.295 ppm2 4.926 CV 1 ASSI { 197} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB1 )) 3.400 1.500 1.500 peak 197 spectrum 1 weight 0.11000E+01 volume 0.17315E-02 ppm1 8.297 ppm2 3.286 CV 1 ASSI { 198} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.500 1.500 1.500 peak 198 spectrum 1 weight 0.11000E+01 volume 0.24523E-02 ppm1 8.296 ppm2 2.965 CV 1 ASSI { 199} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HD1 )) 3.000 1.100 1.100 peak 199 spectrum 1 weight 0.11000E+01 volume 0.22473E-02 ppm1 8.295 ppm2 12.630 CV 1 ASSI { 200} (( segid " " and resid 139 and name HN )) (( segid " " and resid 142 and name HN )) 4.800 4.800 1.200 peak 200 spectrum 1 weight 0.11000E+01 volume 0.41044E-03 ppm1 8.293 ppm2 7.225 CV 1 ASSI { 201} (( segid " " and resid 139 and name HN )) ( segid " " and resid 208 and name HG1%) 3.900 1.900 1.900 peak 201 spectrum 1 weight 0.11000E+01 volume 0.12633E-02 ppm1 8.297 ppm2 1.086 CV 1 ASSI { 202} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.500 0.800 0.800 peak 202 spectrum 1 weight 0.11000E+01 volume 0.37095E-02 ppm1 10.345 ppm2 4.926 CV 1 ASSI { 203} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB1 )) 3.700 1.700 1.700 peak 203 spectrum 1 weight 0.11000E+01 volume 0.14649E-02 ppm1 10.338 ppm2 3.286 CV 1 ASSI { 204} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HD1 )) 4.600 2.600 1.400 peak 204 spectrum 1 weight 0.11000E+01 volume 0.26797E-03 ppm1 10.349 ppm2 12.629 CV 1 ASSI { 205} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HN )) 3.900 1.900 1.900 peak 205 spectrum 1 weight 0.11000E+01 volume 0.35088E-03 ppm1 10.342 ppm2 8.297 CV 1 ASSI { 206} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 3.200 1.300 1.300 peak 206 spectrum 1 weight 0.11000E+01 volume 0.86716E-03 ppm1 10.344 ppm2 4.190 CV 1 ASSI { 207} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB1 )) 3.400 3.400 2.600 peak 207 spectrum 1 weight 0.11000E+01 volume 0.14948E-02 ppm1 10.350 ppm2 3.278 CV 1 ASSI { 208} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) 2.900 1.000 1.000 peak 208 spectrum 1 weight 0.11000E+01 volume 0.16844E-02 ppm1 10.345 ppm2 2.830 CV 1 ASSI { 209} (( segid " " and resid 140 and name HN )) ( segid " " and resid 140 and name HD% ) 4.000 2.000 2.000 peak 209 spectrum 1 weight 0.11000E+01 volume 0.14435E-02 ppm1 10.344 ppm2 7.353 CV 1 ASSI { 211} (( segid " " and resid 140 and name HN )) (( segid " " and resid 146 and name HA )) 4.800 2.800 1.200 peak 211 spectrum 1 weight 0.11000E+01 volume 0.24632E-03 ppm1 10.346 ppm2 4.660 CV 1 ASSI { 212} (( segid " " and resid 140 and name HN )) (( segid " " and resid 146 and name HB1 )) 4.600 2.600 1.400 peak 212 spectrum 1 weight 0.11000E+01 volume 0.62162E-03 ppm1 10.339 ppm2 2.963 CV 1 ASSI { 213} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HB1 )) 4.200 2.200 1.800 peak 213 spectrum 1 weight 0.11000E+01 volume 0.13436E-02 ppm1 9.016 ppm2 3.279 CV 1 ASSI { 215} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HA )) 3.800 1.800 1.800 peak 215 spectrum 1 weight 0.11000E+01 volume 0.77580E-03 ppm1 9.014 ppm2 4.918 CV 1 ASSI { 216} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 2.900 1.100 1.100 peak 216 spectrum 1 weight 0.11000E+01 volume 0.20381E-02 ppm1 9.020 ppm2 4.172 CV 1 ASSI { 217} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.800 1.800 1.800 peak 217 spectrum 1 weight 0.11000E+01 volume 0.10935E-02 ppm1 9.016 ppm2 2.824 CV 1 ASSI { 218} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 2.900 1.100 1.100 peak 218 spectrum 1 weight 0.11000E+01 volume 0.16982E-02 ppm1 9.015 ppm2 10.338 CV 1 ASSI { 219} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA1 )) 3.100 1.200 1.200 peak 219 spectrum 1 weight 0.11000E+01 volume 0.29579E-02 ppm1 9.015 ppm2 4.107 CV 1 ASSI { 220} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA2 )) 2.600 0.800 0.800 peak 220 spectrum 1 weight 0.11000E+01 volume 0.35007E-02 ppm1 9.016 ppm2 3.708 CV 1 ASSI { 223} (( segid " " and resid 142 and name HN )) (( segid " " and resid 139 and name HB1 )) 4.000 2.000 2.000 peak 223 spectrum 1 weight 0.11000E+01 volume 0.13162E-02 ppm1 7.231 ppm2 3.272 CV 1 ASSI { 224} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.600 1.600 1.600 peak 224 spectrum 1 weight 0.11000E+01 volume 0.29431E-02 ppm1 7.232 ppm2 2.801 CV 1 ASSI { 225} (( segid " " and resid 142 and name HN )) ( segid " " and resid 140 and name HD% ) 3.600 1.600 1.600 peak 225 spectrum 1 weight 0.11000E+01 volume 0.14795E-02 ppm1 7.231 ppm2 7.376 CV 1 ASSI { 226} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HN )) 4.100 2.100 1.900 peak 226 spectrum 1 weight 0.11000E+01 volume 0.57381E-03 ppm1 7.230 ppm2 10.344 CV 1 ASSI { 227} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA1 )) 3.400 1.400 1.400 peak 227 spectrum 1 weight 0.11000E+01 volume 0.15731E-02 ppm1 7.231 ppm2 4.115 CV 1 ASSI { 228} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA2 )) 3.300 1.400 1.400 peak 228 spectrum 1 weight 0.11000E+01 volume 0.16998E-02 ppm1 7.232 ppm2 3.709 CV 1 ASSI { 229} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HN )) 2.500 0.800 0.800 peak 229 spectrum 1 weight 0.11000E+01 volume 0.48684E-02 ppm1 7.232 ppm2 9.019 CV 1 ASSI { 230} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA )) 2.900 1.000 1.000 peak 230 spectrum 1 weight 0.11000E+01 volume 0.23909E-02 ppm1 7.232 ppm2 4.841 CV 1 ASSI { 231} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) 3.100 1.200 1.200 peak 231 spectrum 1 weight 0.11000E+01 volume 0.28207E-02 ppm1 7.229 ppm2 8.960 CV 1 ASSI { 232} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HA )) 4.500 4.500 1.500 peak 232 spectrum 1 weight 0.11000E+01 volume 0.73057E-03 ppm1 7.213 ppm2 3.498 CV 1 ASSI { 233} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HB1 )) 4.800 2.900 1.200 peak 233 spectrum 1 weight 0.11000E+01 volume 0.55841E-03 ppm1 7.229 ppm2 1.865 CV 1 ASSI { 234} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HN )) 4.800 2.900 1.200 peak 234 spectrum 1 weight 0.11000E+01 volume 0.26063E-03 ppm1 7.237 ppm2 8.317 CV 1 ASSI { 235} (( segid " " and resid 142 and name HN )) (( segid " " and resid 146 and name HA )) 4.800 2.900 1.200 peak 235 spectrum 1 weight 0.11000E+01 volume 0.22766E-03 ppm1 7.222 ppm2 4.700 CV 1 ASSI { 239} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA )) 2.300 0.700 0.700 peak 239 spectrum 1 weight 0.11000E+01 volume 0.70518E-02 ppm1 8.968 ppm2 4.838 CV 1 ASSI { 240} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB1 )) 2.900 2.900 3.100 peak 240 spectrum 1 weight 0.11000E+01 volume 0.56461E-02 ppm1 8.967 ppm2 2.724 CV 1 ASSI { 242} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.700 0.900 0.900 peak 242 spectrum 1 weight 0.11000E+01 volume 0.24890E-02 ppm1 8.967 ppm2 4.414 CV 1 ASSI { 243} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HB1 )) 5.400 3.600 0.600 peak 243 spectrum 1 weight 0.11000E+01 volume 0.26017E-03 ppm1 8.967 ppm2 3.211 CV 1 ASSI { 244} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HN )) 3.000 1.100 1.100 peak 244 spectrum 1 weight 0.11000E+01 volume 0.17586E-02 ppm1 8.967 ppm2 8.348 CV 1 ASSI { 245} (( segid " " and resid 143 and name HN )) (( segid " " and resid 146 and name HA )) 5.000 5.000 1.000 peak 245 spectrum 1 weight 0.11000E+01 volume 0.55283E-03 ppm1 8.956 ppm2 4.709 CV 1 ASSI { 246} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HD% ) 4.300 2.300 1.700 peak 246 spectrum 1 weight 0.11000E+01 volume 0.11047E-02 ppm1 8.359 ppm2 7.049 CV 1 ASSI { 247} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HA )) 4.100 2.100 1.900 peak 247 spectrum 1 weight 0.11000E+01 volume 0.48004E-03 ppm1 8.368 ppm2 4.844 CV 1 ASSI { 248} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 3.300 1.400 1.400 peak 248 spectrum 1 weight 0.11000E+01 volume 0.92169E-03 ppm1 8.363 ppm2 4.401 CV 1 ASSI { 250} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HB1 )) 5.500 3.800 0.500 peak 250 spectrum 1 weight 0.11000E+01 volume 0.52085E-03 ppm1 8.359 ppm2 1.882 CV 1 ASSI { 251} (( segid " " and resid 144 and name HN )) (( segid " " and resid 147 and name HN )) 3.700 1.700 1.700 peak 251 spectrum 1 weight 0.11000E+01 volume 0.91463E-03 ppm1 8.351 ppm2 8.059 CV 1 ASSI { 252} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.000 1.100 1.100 peak 252 spectrum 1 weight 0.11000E+01 volume 0.10578E-02 ppm1 8.313 ppm2 2.812 CV 1 ASSI { 253} (( segid " " and resid 145 and name HN )) ( segid " " and resid 144 and name HD% ) 3.700 1.700 1.700 peak 253 spectrum 1 weight 0.11000E+01 volume 0.10492E-02 ppm1 8.315 ppm2 7.051 CV 1 ASSI { 255} (( segid " " and resid 145 and name HN )) ( segid " " and resid 140 and name HD% ) 5.100 3.300 0.900 peak 255 spectrum 1 weight 0.11000E+01 volume 0.36796E-03 ppm1 8.321 ppm2 7.389 CV 1 ASSI { 256} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 3.900 1.900 1.900 peak 256 spectrum 1 weight 0.11000E+01 volume 0.49636E-03 ppm1 8.318 ppm2 4.207 CV 1 ASSI { 257} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB1 )) 2.800 1.000 1.000 peak 257 spectrum 1 weight 0.11000E+01 volume 0.15713E-02 ppm1 8.312 ppm2 3.220 CV 1 ASSI { 258} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB2 )) 3.600 1.600 1.600 peak 258 spectrum 1 weight 0.11000E+01 volume 0.20370E-02 ppm1 8.312 ppm2 3.030 CV 1 ASSI { 259} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA )) 2.800 1.000 1.000 peak 259 spectrum 1 weight 0.11000E+01 volume 0.17107E-02 ppm1 8.314 ppm2 3.522 CV 1 ASSI { 260} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.500 1.500 1.500 peak 260 spectrum 1 weight 0.11000E+01 volume 0.28270E-02 ppm1 8.313 ppm2 1.854 CV 1 ASSI { 261} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB2 )) 2.700 0.900 0.900 peak 261 spectrum 1 weight 0.11000E+01 volume 0.13628E-02 ppm1 8.315 ppm2 1.368 CV 1 ASSI { 262} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG1 )) 3.300 1.400 1.400 peak 262 spectrum 1 weight 0.11000E+01 volume 0.21642E-02 ppm1 8.315 ppm2 2.424 CV 1 ASSI { 264} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB1 )) 4.900 3.000 1.100 peak 264 spectrum 1 weight 0.11000E+01 volume 0.49273E-03 ppm1 8.313 ppm2 2.893 CV 1 ASSI { 265} (( segid " " and resid 146 and name HN )) ( segid " " and resid 140 and name HD% ) 4.700 2.800 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.56588E-03 ppm1 8.042 ppm2 7.348 CV 1 ASSI { 266} (( segid " " and resid 146 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.400 1.500 1.500 peak 266 spectrum 1 weight 0.11000E+01 volume 0.25709E-02 ppm1 8.039 ppm2 2.834 CV 1 ASSI { 267} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 3.600 1.600 1.600 peak 267 spectrum 1 weight 0.11000E+01 volume 0.65992E-03 ppm1 8.038 ppm2 3.525 CV 1 ASSI { 268} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.400 1.500 1.500 peak 268 spectrum 1 weight 0.11000E+01 volume 0.14057E-02 ppm1 8.042 ppm2 1.875 CV 1 ASSI { 269} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB2 )) 3.400 1.500 1.500 peak 269 spectrum 1 weight 0.11000E+01 volume 0.52450E-03 ppm1 8.037 ppm2 1.369 CV 1 ASSI { 270} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HN )) 2.600 0.800 0.800 peak 270 spectrum 1 weight 0.11000E+01 volume 0.24233E-02 ppm1 8.040 ppm2 8.327 CV 1 ASSI { 271} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 2.900 1.000 1.000 peak 271 spectrum 1 weight 0.11000E+01 volume 0.17802E-02 ppm1 8.041 ppm2 4.664 CV 1 ASSI { 272} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB1 )) 2.800 1.000 1.000 peak 272 spectrum 1 weight 0.11000E+01 volume 0.27559E-02 ppm1 8.041 ppm2 2.918 CV 1 ASSI { 273} (( segid " " and resid 146 and name HN )) (( segid " " and resid 147 and name HD1 )) 4.400 2.500 1.600 peak 273 spectrum 1 weight 0.11000E+01 volume 0.71267E-03 ppm1 8.050 ppm2 3.191 CV 1 ASSI { 274} (( segid " " and resid 147 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.900 3.900 2.100 peak 274 spectrum 1 weight 0.11000E+01 volume 0.16672E-02 ppm1 8.065 ppm2 2.831 CV 1 ASSI { 275} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG1 )) 4.700 2.800 1.300 peak 275 spectrum 1 weight 0.11000E+01 volume 0.10021E-02 ppm1 8.068 ppm2 1.733 CV 1 ASSI { 277} (( segid " " and resid 147 and name HN )) (( segid " " and resid 143 and name HA )) 3.800 1.800 1.800 peak 277 spectrum 1 weight 0.11000E+01 volume 0.52451E-03 ppm1 8.062 ppm2 4.414 CV 1 ASSI { 278} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HA )) 3.800 1.800 1.800 peak 278 spectrum 1 weight 0.11000E+01 volume 0.65368E-03 ppm1 8.071 ppm2 4.207 CV 1 ASSI { 280} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HA )) 4.600 2.600 1.400 peak 280 spectrum 1 weight 0.11000E+01 volume 0.27632E-03 ppm1 8.061 ppm2 3.524 CV 1 ASSI { 281} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HB1 )) 2.900 2.900 3.100 peak 281 spectrum 1 weight 0.11000E+01 volume 0.63207E-02 ppm1 8.063 ppm2 1.888 CV 1 ASSI { 282} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 3.500 1.500 1.500 peak 282 spectrum 1 weight 0.11000E+01 volume 0.71092E-03 ppm1 8.065 ppm2 4.663 CV 1 ASSI { 283} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB1 )) 2.800 1.000 1.000 peak 283 spectrum 1 weight 0.11000E+01 volume 0.16425E-02 ppm1 8.061 ppm2 2.918 CV 1 ASSI { 284} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB2 )) 4.200 2.200 1.800 peak 284 spectrum 1 weight 0.11000E+01 volume 0.45132E-03 ppm1 8.060 ppm2 2.726 CV 1 ASSI { 285} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 2.900 1.100 1.100 peak 285 spectrum 1 weight 0.11000E+01 volume 0.18656E-02 ppm1 8.063 ppm2 3.982 CV 1 ASSI { 286} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HD1 )) 4.100 2.100 1.900 peak 286 spectrum 1 weight 0.11000E+01 volume 0.73619E-03 ppm1 8.065 ppm2 3.186 CV 1 ASSI { 287} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG2 )) 4.800 2.900 1.200 peak 287 spectrum 1 weight 0.11000E+01 volume 0.49912E-03 ppm1 8.065 ppm2 1.517 CV 1 ASSI { 289} (( segid " " and resid 147 and name HN )) (( segid " " and resid 149 and name HN )) 4.600 2.600 1.400 peak 289 spectrum 1 weight 0.11000E+01 volume 0.30489E-03 ppm1 8.061 ppm2 8.818 CV 1 ASSI { 291} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HG1 )) 5.100 3.300 0.900 peak 291 spectrum 1 weight 0.11000E+01 volume 0.37340E-03 ppm1 8.438 ppm2 1.730 CV 1 ASSI { 292} (( segid " " and resid 148 and name HN )) (( segid " " and resid 144 and name HA )) 4.000 2.000 2.000 peak 292 spectrum 1 weight 0.11000E+01 volume 0.54044E-03 ppm1 8.445 ppm2 4.219 CV 1 ASSI { 293} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HA )) 3.000 1.200 1.200 peak 293 spectrum 1 weight 0.11000E+01 volume 0.11311E-02 ppm1 8.439 ppm2 3.523 CV 1 ASSI { 294} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.200 1.300 1.300 peak 294 spectrum 1 weight 0.11000E+01 volume 0.29992E-02 ppm1 8.443 ppm2 1.887 CV 1 ASSI { 295} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HA )) 4.000 2.000 2.000 peak 295 spectrum 1 weight 0.11000E+01 volume 0.42455E-03 ppm1 8.438 ppm2 4.666 CV 1 ASSI { 296} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.600 1.700 1.700 peak 296 spectrum 1 weight 0.11000E+01 volume 0.26684E-02 ppm1 8.442 ppm2 2.719 CV 1 ASSI { 297} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA )) 3.500 1.500 1.500 peak 297 spectrum 1 weight 0.11000E+01 volume 0.81443E-03 ppm1 8.439 ppm2 4.007 CV 1 ASSI { 298} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HD1 )) 3.000 1.100 1.100 peak 298 spectrum 1 weight 0.11000E+01 volume 0.89954E-03 ppm1 8.445 ppm2 3.182 CV 1 ASSI { 299} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HG2 )) 3.800 1.800 1.800 peak 299 spectrum 1 weight 0.11000E+01 volume 0.68476E-03 ppm1 8.446 ppm2 1.502 CV 1 ASSI { 300} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HN )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.11000E+01 volume 0.24652E-02 ppm1 8.447 ppm2 8.062 CV 1 ASSI { 301} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 2.800 1.000 1.000 peak 301 spectrum 1 weight 0.11000E+01 volume 0.17221E-02 ppm1 8.443 ppm2 3.837 CV 1 ASSI { 302} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.500 0.800 0.800 peak 302 spectrum 1 weight 0.11000E+01 volume 0.33187E-02 ppm1 8.452 ppm2 2.577 CV 1 ASSI { 303} (( segid " " and resid 148 and name HN )) ( segid " " and resid 149 and name HD% ) 3.900 1.900 1.900 peak 303 spectrum 1 weight 0.11000E+01 volume 0.10570E-02 ppm1 8.433 ppm2 6.846 CV 1 ASSI { 304} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HN )) 2.900 1.000 1.000 peak 304 spectrum 1 weight 0.11000E+01 volume 0.15610E-02 ppm1 8.443 ppm2 8.827 CV 1 ASSI { 306} (( segid " " and resid 148 and name HN )) (( segid " " and resid 152 and name HD21)) 4.800 2.900 1.200 peak 306 spectrum 1 weight 0.11000E+01 volume 0.49368E-03 ppm1 8.435 ppm2 6.723 CV 1 ASSI { 308} (( segid " " and resid 149 and name HN )) (( segid " " and resid 145 and name HA )) 3.800 1.800 1.800 peak 308 spectrum 1 weight 0.11000E+01 volume 0.10865E-02 ppm1 8.820 ppm2 3.571 CV 1 ASSI { 309} (( segid " " and resid 149 and name HN )) (( segid " " and resid 146 and name HB2 )) 2.300 2.300 3.700 peak 309 spectrum 1 weight 0.11000E+01 volume 0.11786E-02 ppm1 8.824 ppm2 2.725 CV 1 ASSI { 310} (( segid " " and resid 149 and name HN )) (( segid " " and resid 147 and name HD1 )) 3.200 1.300 1.300 peak 310 spectrum 1 weight 0.11000E+01 volume 0.36202E-02 ppm1 8.825 ppm2 3.199 CV 1 ASSI { 311} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 3.600 1.700 1.700 peak 311 spectrum 1 weight 0.11000E+01 volume 0.62040E-03 ppm1 8.825 ppm2 3.829 CV 1 ASSI { 312} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB2 )) 4.200 2.200 1.800 peak 312 spectrum 1 weight 0.11000E+01 volume 0.82468E-03 ppm1 8.825 ppm2 2.560 CV 1 ASSI { 313} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 3.000 1.100 1.100 peak 313 spectrum 1 weight 0.11000E+01 volume 0.11610E-02 ppm1 8.825 ppm2 4.242 CV 1 ASSI { 314} (( segid " " and resid 149 and name HN )) ( segid " " and resid 149 and name HD% ) 3.200 1.300 1.300 peak 314 spectrum 1 weight 0.11000E+01 volume 0.10994E-02 ppm1 8.824 ppm2 6.849 CV 1 ASSI { 316} (( segid " " and resid 149 and name HN )) (( segid " " and resid 152 and name HA )) 4.600 4.600 1.400 peak 316 spectrum 1 weight 0.11000E+01 volume 0.53150E-03 ppm1 8.823 ppm2 4.661 CV 1 ASSI { 318} (( segid " " and resid 149 and name HN )) (( segid " " and resid 204 and name HG11)) 5.000 3.100 1.000 peak 318 spectrum 1 weight 0.11000E+01 volume 0.52085E-03 ppm1 8.823 ppm2 1.569 CV 1 ASSI { 319} (( segid " " and resid 149 and name HN )) ( segid " " and resid 204 and name HD1%) 3.800 1.800 1.800 peak 319 spectrum 1 weight 0.11000E+01 volume 0.12284E-02 ppm1 8.823 ppm2 0.665 CV 1 ASSI { 320} (( segid " " and resid 149 and name HN )) ( segid " " and resid 204 and name HG2%) 5.300 3.400 0.700 peak 320 spectrum 1 weight 0.11000E+01 volume 0.22662E-03 ppm1 8.823 ppm2 0.777 CV 1 ASSI { 321} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HG2 )) 4.000 2.000 2.000 peak 321 spectrum 1 weight 0.11000E+01 volume 0.90358E-03 ppm1 7.640 ppm2 1.666 CV 1 ASSI { 322} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB1 )) 2.200 0.600 0.600 peak 322 spectrum 1 weight 0.11000E+01 volume 0.60911E-02 ppm1 7.638 ppm2 1.912 CV 1 ASSI { 323} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HG2 )) 5.200 5.200 0.800 peak 323 spectrum 1 weight 0.11000E+01 volume 0.31706E-03 ppm1 7.636 ppm2 2.435 CV 1 ASSI { 324} (( segid " " and resid 150 and name HN )) (( segid " " and resid 147 and name HA )) 3.400 1.500 1.500 peak 324 spectrum 1 weight 0.11000E+01 volume 0.91160E-03 ppm1 7.639 ppm2 3.989 CV 1 ASSI { 325} (( segid " " and resid 150 and name HN )) (( segid " " and resid 147 and name HD1 )) 3.300 3.300 2.700 peak 325 spectrum 1 weight 0.11000E+01 volume 0.25586E-02 ppm1 7.641 ppm2 3.208 CV 1 ASSI { 326} (( segid " " and resid 150 and name HN )) ( segid " " and resid 149 and name HD% ) 4.400 2.400 1.600 peak 326 spectrum 1 weight 0.11000E+01 volume 0.49137E-03 ppm1 7.637 ppm2 6.879 CV 1 ASSI { 327} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HN )) 4.100 2.100 1.900 peak 327 spectrum 1 weight 0.11000E+01 volume 0.40654E-03 ppm1 7.621 ppm2 8.442 CV 1 ASSI { 328} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HN )) 2.900 1.100 1.100 peak 328 spectrum 1 weight 0.11000E+01 volume 0.15016E-02 ppm1 7.639 ppm2 8.828 CV 1 ASSI { 329} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 2.800 2.800 3.200 peak 329 spectrum 1 weight 0.11000E+01 volume 0.25443E-02 ppm1 7.634 ppm2 3.650 CV 1 ASSI { 330} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HN )) 2.700 0.900 0.900 peak 330 spectrum 1 weight 0.11000E+01 volume 0.16250E-02 ppm1 7.639 ppm2 7.948 CV 1 ASSI { 331} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB1 )) 2.300 2.300 3.700 peak 331 spectrum 1 weight 0.11000E+01 volume 0.69273E-02 ppm1 7.948 ppm2 1.893 CV 1 ASSI { 332} (( segid " " and resid 151 and name HN )) (( segid " " and resid 148 and name HA )) 3.900 1.900 1.900 peak 332 spectrum 1 weight 0.11000E+01 volume 0.65583E-03 ppm1 7.948 ppm2 3.835 CV 1 ASSI { 333} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 3.000 1.100 1.100 peak 333 spectrum 1 weight 0.11000E+01 volume 0.19128E-02 ppm1 7.947 ppm2 4.086 CV 1 ASSI { 334} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG1 )) 3.800 3.800 2.200 peak 334 spectrum 1 weight 0.11000E+01 volume 0.17649E-02 ppm1 7.949 ppm2 2.233 CV 1 ASSI { 335} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG2 )) 3.200 3.200 2.800 peak 335 spectrum 1 weight 0.11000E+01 volume 0.26561E-02 ppm1 7.948 ppm2 2.428 CV 1 ASSI { 336} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HD21)) 5.100 5.100 0.900 peak 336 spectrum 1 weight 0.11000E+01 volume 0.32227E-03 ppm1 7.946 ppm2 6.771 CV 1 ASSI { 337} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HD22)) 4.900 3.000 1.100 peak 337 spectrum 1 weight 0.11000E+01 volume 0.34656E-03 ppm1 7.948 ppm2 6.544 CV 1 ASSI { 338} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HN )) 2.300 0.700 0.700 peak 338 spectrum 1 weight 0.11000E+01 volume 0.26985E-02 ppm1 7.948 ppm2 7.579 CV 1 ASSI { 339} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HA )) 4.300 2.400 1.700 peak 339 spectrum 1 weight 0.11000E+01 volume 0.99849E-03 ppm1 7.950 ppm2 3.656 CV 1 ASSI { 340} (( segid " " and resid 151 and name HN )) (( segid " " and resid 155 and name HD2 )) 5.500 5.500 0.500 peak 340 spectrum 1 weight 0.11000E+01 volume 0.40909E-03 ppm1 7.951 ppm2 3.237 CV 1 ASSI { 341} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HB1 )) 3.800 1.800 1.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.18241E-02 ppm1 7.555 ppm2 1.889 CV 1 ASSI { 342} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB2 )) 3.000 1.100 1.100 peak 342 spectrum 1 weight 0.11000E+01 volume 0.10774E-02 ppm1 7.549 ppm2 2.324 CV 1 ASSI { 345} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HB1 )) 5.400 3.700 0.600 peak 345 spectrum 1 weight 0.11000E+01 volume 0.34009E-03 ppm1 7.558 ppm2 1.583 CV 1 ASSI { 346} (( segid " " and resid 152 and name HN )) (( segid " " and resid 148 and name HA )) 4.700 2.800 1.300 peak 346 spectrum 1 weight 0.11000E+01 volume 0.34549E-03 ppm1 7.552 ppm2 3.832 CV 1 ASSI { 347} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 4.100 2.100 1.900 peak 347 spectrum 1 weight 0.11000E+01 volume 0.53044E-03 ppm1 7.555 ppm2 4.087 CV 1 ASSI { 348} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HG1 )) 3.300 3.300 2.700 peak 348 spectrum 1 weight 0.11000E+01 volume 0.18150E-02 ppm1 7.557 ppm2 2.247 CV 1 ASSI { 350} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.800 1.000 1.000 peak 350 spectrum 1 weight 0.11000E+01 volume 0.13297E-02 ppm1 7.554 ppm2 4.625 CV 1 ASSI { 351} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HD21)) 3.500 3.500 2.500 peak 351 spectrum 1 weight 0.11000E+01 volume 0.10137E-02 ppm1 7.557 ppm2 6.769 CV 1 ASSI { 352} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HD22)) 3.900 1.900 1.900 peak 352 spectrum 1 weight 0.11000E+01 volume 0.79852E-03 ppm1 7.556 ppm2 6.549 CV 1 ASSI { 353} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HA )) 4.100 2.100 1.900 peak 353 spectrum 1 weight 0.11000E+01 volume 0.70192E-03 ppm1 7.555 ppm2 3.673 CV 1 ASSI { 354} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HG2 )) 4.400 2.400 1.600 peak 354 spectrum 1 weight 0.11000E+01 volume 0.36454E-03 ppm1 7.565 ppm2 2.077 CV 1 ASSI { 355} (( segid " " and resid 152 and name HN )) (( segid " " and resid 149 and name HA )) 3.300 1.300 1.300 peak 355 spectrum 1 weight 0.11000E+01 volume 0.47067E-03 ppm1 7.553 ppm2 4.239 CV 1 ASSI { 356} (( segid " " and resid 152 and name HN )) (( segid " " and resid 155 and name HD1 )) 5.400 3.600 0.600 peak 356 spectrum 1 weight 0.11000E+01 volume 0.18707E-03 ppm1 7.544 ppm2 3.158 CV 1 ASSI { 357} (( segid " " and resid 153 and name HN )) (( segid " " and resid 151 and name HA )) 4.400 2.400 1.600 peak 357 spectrum 1 weight 0.11000E+01 volume 0.19200E-03 ppm1 7.477 ppm2 4.069 CV 1 ASSI { 358} (( segid " " and resid 153 and name HN )) (( segid " " and resid 149 and name HB1 )) 4.300 4.300 1.700 peak 358 spectrum 1 weight 0.11000E+01 volume 0.71293E-03 ppm1 7.495 ppm2 2.236 CV 1 ASSI { 359} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB1 )) 4.200 4.200 1.800 peak 359 spectrum 1 weight 0.11000E+01 volume 0.41692E-03 ppm1 7.495 ppm2 2.337 CV 1 ASSI { 360} (( segid " " and resid 153 and name HN )) (( segid " " and resid 150 and name HB1 )) 3.900 1.900 1.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.17181E-02 ppm1 7.496 ppm2 1.888 CV 1 ASSI { 361} (( segid " " and resid 153 and name HN )) (( segid " " and resid 150 and name HG2 )) 3.600 3.600 2.400 peak 361 spectrum 1 weight 0.11000E+01 volume 0.20820E-02 ppm1 7.495 ppm2 1.704 CV 1 ASSI { 363} (( segid " " and resid 153 and name HN )) (( segid " " and resid 151 and name HN )) 4.200 2.200 1.800 peak 363 spectrum 1 weight 0.11000E+01 volume 0.45084E-03 ppm1 7.496 ppm2 7.954 CV 1 ASSI { 364} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 3.000 1.100 1.100 peak 364 spectrum 1 weight 0.11000E+01 volume 0.12171E-02 ppm1 7.493 ppm2 4.626 CV 1 ASSI { 365} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 2.500 0.800 0.800 peak 365 spectrum 1 weight 0.11000E+01 volume 0.32168E-02 ppm1 7.495 ppm2 3.680 CV 1 ASSI { 366} (( segid " " and resid 153 and name HN )) ( segid " " and resid 153 and name HE% ) 3.500 3.500 2.500 peak 366 spectrum 1 weight 0.11000E+01 volume 0.48862E-03 ppm1 7.487 ppm2 1.778 CV 1 ASSI { 367} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HG2 )) 2.400 0.700 0.700 peak 367 spectrum 1 weight 0.11000E+01 volume 0.17255E-02 ppm1 7.494 ppm2 2.105 CV 1 ASSI { 368} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HA )) 4.800 2.900 1.200 peak 368 spectrum 1 weight 0.11000E+01 volume 0.30672E-03 ppm1 7.496 ppm2 4.235 CV 1 ASSI { 369} (( segid " " and resid 153 and name HN )) (( segid " " and resid 155 and name HE )) 4.600 2.700 1.400 peak 369 spectrum 1 weight 0.11000E+01 volume 0.36566E-03 ppm1 7.493 ppm2 6.877 CV 1 ASSI { 370} (( segid " " and resid 153 and name HN )) ( segid " " and resid 156 and name HD% ) 4.400 4.400 1.600 peak 370 spectrum 1 weight 0.11000E+01 volume 0.59152E-03 ppm1 7.496 ppm2 7.045 CV 1 ASSI { 372} (( segid " " and resid 154 and name HN )) (( segid " " and resid 157 and name HB2 )) 4.800 2.900 1.200 peak 372 spectrum 1 weight 0.11000E+01 volume 0.46912E-03 ppm1 7.629 ppm2 1.720 CV 1 ASSI { 373} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 4.100 4.100 1.900 peak 373 spectrum 1 weight 0.11000E+01 volume 0.25178E-03 ppm1 7.633 ppm2 0.795 CV 1 ASSI { 374} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 3.100 1.200 1.200 peak 374 spectrum 1 weight 0.11000E+01 volume 0.76836E-03 ppm1 7.628 ppm2 3.677 CV 1 ASSI { 375} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HG2 )) 4.300 2.300 1.700 peak 375 spectrum 1 weight 0.11000E+01 volume 0.64965E-03 ppm1 7.630 ppm2 2.097 CV 1 ASSI { 376} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 2.900 1.000 1.000 peak 376 spectrum 1 weight 0.11000E+01 volume 0.23649E-02 ppm1 7.630 ppm2 4.196 CV 1 ASSI { 377} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB1 )) 3.600 1.600 1.600 peak 377 spectrum 1 weight 0.11000E+01 volume 0.29726E-02 ppm1 7.630 ppm2 3.024 CV 1 ASSI { 378} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HA )) 4.400 2.400 1.600 peak 378 spectrum 1 weight 0.11000E+01 volume 0.66164E-03 ppm1 7.605 ppm2 4.015 CV 1 ASSI { 379} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HE )) 3.600 1.700 1.700 peak 379 spectrum 1 weight 0.11000E+01 volume 0.78911E-03 ppm1 7.630 ppm2 6.866 CV 1 ASSI { 380} (( segid " " and resid 154 and name HN )) ( segid " " and resid 156 and name HD% ) 3.500 3.500 2.500 peak 380 spectrum 1 weight 0.11000E+01 volume 0.40441E-02 ppm1 7.630 ppm2 7.078 CV 1 ASSI { 381} (( segid " " and resid 155 and name HN )) (( segid " " and resid 152 and name HB2 )) 4.900 3.100 1.100 peak 381 spectrum 1 weight 0.11000E+01 volume 0.24727E-03 ppm1 7.602 ppm2 2.326 CV 1 ASSI { 382} (( segid " " and resid 155 and name HN )) ( segid " " and resid 204 and name HG2%) 4.200 2.200 1.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 7.603 ppm2 0.787 CV 1 ASSI { 383} (( segid " " and resid 155 and name HN )) (( segid " " and resid 152 and name HA )) 4.700 2.800 1.300 peak 383 spectrum 1 weight 0.11000E+01 volume 0.36686E-03 ppm1 7.599 ppm2 4.625 CV 1 ASSI { 384} (( segid " " and resid 155 and name HN )) (( segid " " and resid 153 and name HA )) 3.600 1.600 1.600 peak 384 spectrum 1 weight 0.11000E+01 volume 0.43468E-03 ppm1 7.604 ppm2 3.660 CV 1 ASSI { 385} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 3.400 1.400 1.400 peak 385 spectrum 1 weight 0.11000E+01 volume 0.83481E-03 ppm1 7.603 ppm2 4.200 CV 1 ASSI { 386} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB1 )) 3.900 1.900 1.900 peak 386 spectrum 1 weight 0.11000E+01 volume 0.10738E-02 ppm1 7.598 ppm2 3.029 CV 1 ASSI { 387} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 3.000 1.100 1.100 peak 387 spectrum 1 weight 0.11000E+01 volume 0.14083E-02 ppm1 7.604 ppm2 4.037 CV 1 ASSI { 388} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB1 )) 3.300 1.400 1.400 peak 388 spectrum 1 weight 0.11000E+01 volume 0.13532E-02 ppm1 7.602 ppm2 1.775 CV 1 ASSI { 389} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HD1 )) 4.300 2.300 1.700 peak 389 spectrum 1 weight 0.11000E+01 volume 0.60385E-03 ppm1 7.601 ppm2 3.154 CV 1 ASSI { 390} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HD2 )) 3.300 1.300 1.300 peak 390 spectrum 1 weight 0.11000E+01 volume 0.59576E-03 ppm1 7.611 ppm2 3.063 CV 1 ASSI { 391} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HE )) 4.300 2.300 1.700 peak 391 spectrum 1 weight 0.11000E+01 volume 0.29929E-03 ppm1 7.601 ppm2 6.895 CV 1 ASSI { 392} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HG1 )) 4.000 4.000 2.000 peak 392 spectrum 1 weight 0.11000E+01 volume 0.24989E-02 ppm1 7.603 ppm2 1.223 CV 1 ASSI { 393} (( segid " " and resid 155 and name HN )) ( segid " " and resid 156 and name HD% ) 4.300 2.400 1.700 peak 393 spectrum 1 weight 0.11000E+01 volume 0.71064E-03 ppm1 7.599 ppm2 7.056 CV 1 ASSI { 394} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HN )) 2.200 0.600 0.600 peak 394 spectrum 1 weight 0.11000E+01 volume 0.32235E-02 ppm1 7.599 ppm2 7.318 CV 1 ASSI { 395} (( segid " " and resid 156 and name HN )) ( segid " " and resid 204 and name HG2%) 4.900 3.000 1.100 peak 395 spectrum 1 weight 0.10000E+01 volume 0.46098E-03 ppm1 7.317 ppm2 0.781 CV 1 ASSI { 397} (( segid " " and resid 156 and name HN )) (( segid " " and resid 153 and name HA )) 3.400 1.400 1.400 peak 397 spectrum 1 weight 0.11000E+01 volume 0.54190E-03 ppm1 7.319 ppm2 3.685 CV 1 ASSI { 398} (( segid " " and resid 156 and name HN )) ( segid " " and resid 153 and name HE% ) 3.800 3.800 2.200 peak 398 spectrum 1 weight 0.11000E+01 volume 0.68751E-03 ppm1 7.317 ppm2 1.769 CV 1 ASSI { 399} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HA )) 4.500 2.500 1.500 peak 399 spectrum 1 weight 0.11000E+01 volume 0.69342E-03 ppm1 7.316 ppm2 4.198 CV 1 ASSI { 400} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HB1 )) 4.100 2.100 1.900 peak 400 spectrum 1 weight 0.11000E+01 volume 0.24052E-02 ppm1 7.317 ppm2 3.002 CV 1 ASSI { 401} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HA )) 3.800 1.800 1.800 peak 401 spectrum 1 weight 0.11000E+01 volume 0.70416E-03 ppm1 7.319 ppm2 4.038 CV 1 ASSI { 402} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HD2 )) 3.400 1.500 1.500 peak 402 spectrum 1 weight 0.11000E+01 volume 0.10073E-02 ppm1 7.311 ppm2 3.102 CV 1 ASSI { 403} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HE )) 4.500 2.500 1.500 peak 403 spectrum 1 weight 0.11000E+01 volume 0.59148E-03 ppm1 7.317 ppm2 6.875 CV 1 ASSI { 404} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HG1 )) 4.400 4.400 1.600 peak 404 spectrum 1 weight 0.11000E+01 volume 0.74228E-03 ppm1 7.316 ppm2 1.218 CV 1 ASSI { 406} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 2.800 2.800 3.200 peak 406 spectrum 1 weight 0.11000E+01 volume 0.11579E-02 ppm1 7.317 ppm2 4.927 CV 1 ASSI { 407} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB1 )) 3.000 1.100 1.100 peak 407 spectrum 1 weight 0.11000E+01 volume 0.18281E-02 ppm1 7.318 ppm2 3.192 CV 1 ASSI { 408} (( segid " " and resid 156 and name HN )) ( segid " " and resid 156 and name HD% ) 2.900 1.000 1.000 peak 408 spectrum 1 weight 0.11000E+01 volume 0.12242E-02 ppm1 7.317 ppm2 7.030 CV 1 ASSI { 410} (( segid " " and resid 158 and name HN )) (( segid " " and resid 153 and name HB1 )) 3.500 1.500 1.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.51999E-03 ppm1 8.473 ppm2 1.635 CV 1 ASSI { 411} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA )) 2.200 0.600 0.600 peak 411 spectrum 1 weight 0.10000E+01 volume 0.58270E-02 ppm1 8.474 ppm2 4.400 CV 1 ASSI { 412} (( segid " " and resid 158 and name HN )) (( segid " " and resid 132 and name HA )) 4.800 2.900 1.200 peak 412 spectrum 1 weight 0.11000E+01 volume 0.21960E-03 ppm1 8.474 ppm2 4.378 CV 1 ASSI { 413} (( segid " " and resid 158 and name HN )) (( segid " " and resid 133 and name HB2 )) 4.500 2.600 1.500 peak 413 spectrum 1 weight 0.11000E+01 volume 0.36358E-03 ppm1 8.474 ppm2 1.961 CV 1 ASSI { 415} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HG1 )) 4.600 2.600 1.400 peak 415 spectrum 1 weight 0.11000E+01 volume 0.85510E-03 ppm1 8.471 ppm2 1.767 CV 1 ASSI { 416} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 3.400 1.400 1.400 peak 416 spectrum 1 weight 0.11000E+01 volume 0.61970E-03 ppm1 8.468 ppm2 4.727 CV 1 ASSI { 417} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 3.800 1.800 1.800 peak 417 spectrum 1 weight 0.11000E+01 volume 0.53534E-03 ppm1 8.469 ppm2 3.656 CV 1 ASSI { 418} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HA )) 4.100 2.100 1.900 peak 418 spectrum 1 weight 0.11000E+01 volume 0.52849E-03 ppm1 8.474 ppm2 4.592 CV 1 ASSI { 419} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HG2 )) 3.400 1.400 1.400 peak 419 spectrum 1 weight 0.11000E+01 volume 0.15657E-02 ppm1 8.471 ppm2 2.368 CV 1 OR { 419} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HG1 )) ASSI { 422} (( segid " " and resid 159 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.400 1.400 1.400 peak 422 spectrum 1 weight 0.11000E+01 volume 0.11494E-02 ppm1 7.183 ppm2 1.949 CV 1 ASSI { 423} (( segid " " and resid 159 and name HN )) ( segid " " and resid 133 and name HE% ) 3.500 1.600 1.600 peak 423 spectrum 1 weight 0.11000E+01 volume 0.12065E-02 ppm1 7.196 ppm2 1.909 CV 1 ASSI { 424} (( segid " " and resid 159 and name HN )) (( segid " " and resid 157 and name HA )) 3.300 1.300 1.300 peak 424 spectrum 1 weight 0.11000E+01 volume 0.16248E-02 ppm1 7.190 ppm2 4.436 CV 1 ASSI { 425} (( segid " " and resid 159 and name HN )) (( segid " " and resid 157 and name HG1 )) 4.200 2.300 1.800 peak 425 spectrum 1 weight 0.11000E+01 volume 0.15711E-02 ppm1 7.187 ppm2 1.774 CV 1 ASSI { 426} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) 3.200 1.300 1.300 peak 426 spectrum 1 weight 0.11000E+01 volume 0.83137E-03 ppm1 7.189 ppm2 4.731 CV 1 ASSI { 427} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB2 )) 4.800 2.900 1.200 peak 427 spectrum 1 weight 0.11000E+01 volume 0.25985E-03 ppm1 7.188 ppm2 3.656 CV 1 ASSI { 429} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HN )) 2.600 0.800 0.800 peak 429 spectrum 1 weight 0.11000E+01 volume 0.50548E-02 ppm1 7.190 ppm2 8.476 CV 1 ASSI { 430} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HA )) 2.800 1.000 1.000 peak 430 spectrum 1 weight 0.11000E+01 volume 0.16662E-02 ppm1 7.190 ppm2 4.583 CV 1 ASSI { 431} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) 3.800 1.900 1.900 peak 431 spectrum 1 weight 0.11000E+01 volume 0.81243E-03 ppm1 7.191 ppm2 2.127 CV 1 ASSI { 432} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HG2 )) 3.200 1.300 1.300 peak 432 spectrum 1 weight 0.11000E+01 volume 0.14270E-02 ppm1 7.189 ppm2 2.367 CV 1 OR { 432} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HG1 )) ASSI { 433} (( segid " " and resid 159 and name HN )) ( segid " " and resid 160 and name HG1%) 3.700 1.800 1.800 peak 433 spectrum 1 weight 0.11000E+01 volume 0.40368E-03 ppm1 7.191 ppm2 0.956 CV 1 ASSI { 435} (( segid " " and resid 160 and name HN )) (( segid " " and resid 129 and name HA )) 2.800 2.800 3.200 peak 435 spectrum 1 weight 0.11000E+01 volume 0.25221E-02 ppm1 8.519 ppm2 4.552 CV 1 ASSI { 436} (( segid " " and resid 160 and name HN )) (( segid " " and resid 131 and name HN )) 4.300 2.300 1.700 peak 436 spectrum 1 weight 0.11000E+01 volume 0.86021E-03 ppm1 8.519 ppm2 8.370 CV 1 ASSI { 438} (( segid " " and resid 160 and name HN )) (( segid " " and resid 129 and name HB1 )) 4.200 2.200 1.800 peak 438 spectrum 1 weight 0.11000E+01 volume 0.83372E-03 ppm1 8.519 ppm2 1.654 CV 1 ASSI { 439} (( segid " " and resid 160 and name HN )) ( segid " " and resid 182 and name HG2%) 4.900 3.000 1.100 peak 439 spectrum 1 weight 0.10000E+01 volume 0.34413E-03 ppm1 8.516 ppm2 1.479 CV 1 ASSI { 440} (( segid " " and resid 160 and name HN )) ( segid " " and resid 209 and name HG2%) 5.400 3.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.13652E-03 ppm1 8.517 ppm2 1.217 CV 1 ASSI { 441} (( segid " " and resid 160 and name HN )) ( segid " " and resid 129 and name HD2%) 4.400 2.400 1.600 peak 441 spectrum 1 weight 0.11000E+01 volume 0.35473E-03 ppm1 8.511 ppm2 -0.014 CV 1 ASSI { 442} (( segid " " and resid 160 and name HN )) (( segid " " and resid 130 and name HN )) 4.400 2.400 1.600 peak 442 spectrum 1 weight 0.11000E+01 volume 0.42508E-03 ppm1 8.520 ppm2 9.329 CV 1 ASSI { 443} (( segid " " and resid 160 and name HN )) (( segid " " and resid 131 and name HA )) 5.100 3.300 0.900 peak 443 spectrum 1 weight 0.11000E+01 volume 0.26599E-03 ppm1 8.528 ppm2 4.413 CV 1 ASSI { 444} (( segid " " and resid 160 and name HN )) (( segid " " and resid 158 and name HA )) 4.500 2.500 1.500 peak 444 spectrum 1 weight 0.11000E+01 volume 0.57277E-03 ppm1 8.533 ppm2 4.746 CV 1 ASSI { 445} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) 2.300 0.700 0.700 peak 445 spectrum 1 weight 0.11000E+01 volume 0.33556E-02 ppm1 8.518 ppm2 4.586 CV 1 ASSI { 446} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB2 )) 3.300 1.400 1.400 peak 446 spectrum 1 weight 0.11000E+01 volume 0.53924E-03 ppm1 8.522 ppm2 2.124 CV 1 ASSI { 447} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HN )) 4.400 2.400 1.600 peak 447 spectrum 1 weight 0.11000E+01 volume 0.37218E-03 ppm1 8.521 ppm2 7.182 CV 1 ASSI { 448} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 3.300 1.300 1.300 peak 448 spectrum 1 weight 0.11000E+01 volume 0.61213E-03 ppm1 8.510 ppm2 4.904 CV 1 ASSI { 449} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HG1%) 3.600 1.600 1.600 peak 449 spectrum 1 weight 0.11000E+01 volume 0.93774E-03 ppm1 8.527 ppm2 0.936 CV 1 ASSI { 450} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HG2%) 2.800 1.000 1.000 peak 450 spectrum 1 weight 0.11000E+01 volume 0.22426E-02 ppm1 8.519 ppm2 0.734 CV 1 ASSI { 451} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HB1 )) 4.500 4.500 1.500 peak 451 spectrum 1 weight 0.11000E+01 volume 0.44025E-03 ppm1 8.516 ppm2 2.577 CV 1 ASSI { 452} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HN )) 4.000 2.000 2.000 peak 452 spectrum 1 weight 0.11000E+01 volume 0.50618E-03 ppm1 8.526 ppm2 8.395 CV 1 ASSI { 453} (( segid " " and resid 161 and name HN )) (( segid " " and resid 182 and name HA )) 4.300 2.300 1.700 peak 453 spectrum 1 weight 0.11000E+01 volume 0.51556E-03 ppm1 8.421 ppm2 4.082 CV 1 ASSI { 454} (( segid " " and resid 161 and name HN )) ( segid " " and resid 209 and name HG2%) 5.700 4.000 0.300 peak 454 spectrum 1 weight 0.10000E+01 volume 0.30343E-03 ppm1 8.424 ppm2 1.194 CV 1 ASSI { 455} (( segid " " and resid 161 and name HN )) (( segid " " and resid 129 and name HA )) 3.800 1.800 1.800 peak 455 spectrum 1 weight 0.11000E+01 volume 0.70035E-03 ppm1 8.423 ppm2 4.490 CV 1 ASSI { 457} (( segid " " and resid 161 and name HN )) ( segid " " and resid 160 and name HG1%) 3.800 1.800 1.800 peak 457 spectrum 1 weight 0.11000E+01 volume 0.99909E-03 ppm1 8.423 ppm2 0.950 CV 1 ASSI { 458} (( segid " " and resid 161 and name HN )) ( segid " " and resid 160 and name HG2%) 4.300 2.400 1.700 peak 458 spectrum 1 weight 0.11000E+01 volume 0.54287E-03 ppm1 8.429 ppm2 0.732 CV 1 ASSI { 459} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HA )) 3.200 1.300 1.300 peak 459 spectrum 1 weight 0.11000E+01 volume 0.64899E-03 ppm1 8.424 ppm2 5.565 CV 1 ASSI { 460} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB1 )) 2.800 0.900 0.900 peak 460 spectrum 1 weight 0.11000E+01 volume 0.45804E-02 ppm1 8.429 ppm2 2.577 CV 1 ASSI { 461} (( segid " " and resid 161 and name HN )) ( segid " " and resid 161 and name HE% ) 4.000 2.000 2.000 peak 461 spectrum 1 weight 0.11000E+01 volume 0.13488E-02 ppm1 8.423 ppm2 6.325 CV 1 ASSI { 462} (( segid " " and resid 161 and name HN )) (( segid " " and resid 162 and name HA )) 3.500 3.500 2.500 peak 462 spectrum 1 weight 0.11000E+01 volume 0.13373E-02 ppm1 8.418 ppm2 4.891 CV 1 ASSI { 463} (( segid " " and resid 161 and name HN )) ( segid " " and resid 181 and name HG2%) 6.000 5.400 0.000 peak 463 spectrum 1 weight 0.11000E+01 volume 0.17295E-03 ppm1 8.431 ppm2 0.208 CV 1 ASSI { 464} (( segid " " and resid 161 and name HN )) (( segid " " and resid 182 and name HN )) 4.500 2.500 1.500 peak 464 spectrum 1 weight 0.11000E+01 volume 0.12743E-02 ppm1 8.425 ppm2 8.067 CV 1 ASSI { 465} (( segid " " and resid 161 and name HN )) ( segid " " and resid 182 and name HG2%) 3.900 1.900 1.900 peak 465 spectrum 1 weight 0.11000E+01 volume 0.16202E-02 ppm1 8.425 ppm2 1.501 CV 1 ASSI { 466} (( segid " " and resid 162 and name HN )) (( segid " " and resid 128 and name HA )) 3.800 1.800 1.800 peak 466 spectrum 1 weight 0.11000E+01 volume 0.62065E-03 ppm1 8.588 ppm2 4.465 CV 1 ASSI { 467} (( segid " " and resid 162 and name HN )) (( segid " " and resid 127 and name HB1 )) 3.300 1.300 1.300 peak 467 spectrum 1 weight 0.11000E+01 volume 0.69535E-03 ppm1 8.587 ppm2 2.866 CV 1 ASSI { 468} (( segid " " and resid 162 and name HN )) ( segid " " and resid 127 and name HD% ) 4.200 2.200 1.800 peak 468 spectrum 1 weight 0.11000E+01 volume 0.71972E-03 ppm1 8.588 ppm2 6.863 CV 1 ASSI { 469} (( segid " " and resid 162 and name HN )) (( segid " " and resid 128 and name HB1 )) 3.800 1.800 1.800 peak 469 spectrum 1 weight 0.11000E+01 volume 0.36420E-03 ppm1 8.583 ppm2 1.574 CV 1 ASSI { 470} (( segid " " and resid 162 and name HN )) (( segid " " and resid 128 and name HB2 )) 4.100 2.100 1.900 peak 470 spectrum 1 weight 0.11000E+01 volume 0.38837E-03 ppm1 8.589 ppm2 1.007 CV 1 ASSI { 472} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) 2.400 0.700 0.700 peak 472 spectrum 1 weight 0.11000E+01 volume 0.34385E-02 ppm1 8.588 ppm2 5.564 CV 1 ASSI { 473} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB1 )) 4.100 2.200 1.900 peak 473 spectrum 1 weight 0.11000E+01 volume 0.73763E-03 ppm1 8.588 ppm2 2.580 CV 1 ASSI { 474} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA )) 4.600 2.700 1.400 peak 474 spectrum 1 weight 0.11000E+01 volume 0.10345E-03 ppm1 8.611 ppm2 4.850 CV 1 ASSI { 475} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD% ) 2.900 2.900 3.100 peak 475 spectrum 1 weight 0.11000E+01 volume 0.13470E-02 ppm1 8.587 ppm2 7.162 CV 1 ASSI { 476} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HE% ) 5.100 5.100 0.900 peak 476 spectrum 1 weight 0.11000E+01 volume 0.30318E-03 ppm1 8.585 ppm2 6.470 CV 1 ASSI { 477} (( segid " " and resid 162 and name HN )) (( segid " " and resid 163 and name HN )) 4.600 2.600 1.400 peak 477 spectrum 1 weight 0.11000E+01 volume 0.39283E-03 ppm1 8.597 ppm2 7.928 CV 1 ASSI { 478} (( segid " " and resid 162 and name HN )) (( segid " " and resid 181 and name HG12)) 4.000 4.000 2.000 peak 478 spectrum 1 weight 0.11000E+01 volume 0.43955E-03 ppm1 8.616 ppm2 0.953 CV 1 ASSI { 479} (( segid " " and resid 163 and name HN )) (( segid " " and resid 128 and name HB2 )) 4.700 2.700 1.300 peak 479 spectrum 1 weight 0.11000E+01 volume 0.28419E-03 ppm1 7.937 ppm2 1.055 CV 1 ASSI { 481} (( segid " " and resid 163 and name HN )) (( segid " " and resid 127 and name HB2 )) 5.100 3.200 0.900 peak 481 spectrum 1 weight 0.11000E+01 volume 0.68706E-03 ppm1 7.934 ppm2 2.899 CV 1 ASSI { 483} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.11000E+01 volume 0.23992E-02 ppm1 7.946 ppm2 4.853 CV 1 ASSI { 484} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB1 )) 4.200 2.200 1.800 peak 484 spectrum 1 weight 0.11000E+01 volume 0.13087E-02 ppm1 7.944 ppm2 2.860 CV 1 ASSI { 485} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB2 )) 3.200 1.300 1.300 peak 485 spectrum 1 weight 0.11000E+01 volume 0.80992E-03 ppm1 7.941 ppm2 2.703 CV 1 ASSI { 486} (( segid " " and resid 163 and name HN )) ( segid " " and resid 162 and name HD% ) 3.800 1.800 1.800 peak 486 spectrum 1 weight 0.11000E+01 volume 0.54034E-03 ppm1 7.935 ppm2 7.165 CV 1 ASSI { 487} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HG1 )) 4.100 2.100 1.900 peak 487 spectrum 1 weight 0.11000E+01 volume 0.86217E-03 ppm1 7.954 ppm2 1.634 CV 1 ASSI { 489} (( segid " " and resid 163 and name HN )) (( segid " " and resid 178 and name HA )) 4.400 4.400 1.600 peak 489 spectrum 1 weight 0.11000E+01 volume 0.77506E-03 ppm1 7.942 ppm2 4.631 CV 1 ASSI { 490} (( segid " " and resid 163 and name HN )) (( segid " " and resid 178 and name HB2 )) 3.600 3.600 2.400 peak 490 spectrum 1 weight 0.11000E+01 volume 0.43055E-02 ppm1 7.943 ppm2 3.172 CV 1 ASSI { 492} (( segid " " and resid 165 and name HN )) (( segid " " and resid 220 and name HB1 )) 3.200 1.300 1.300 peak 492 spectrum 1 weight 0.11000E+01 volume 0.27616E-02 ppm1 8.580 ppm2 2.097 CV 1 ASSI { 493} (( segid " " and resid 165 and name HN )) (( segid " " and resid 220 and name HG1 )) 3.400 1.400 1.400 peak 493 spectrum 1 weight 0.11000E+01 volume 0.83876E-03 ppm1 8.580 ppm2 2.200 CV 1 ASSI { 494} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HB1 )) 3.500 1.500 1.500 peak 494 spectrum 1 weight 0.11000E+01 volume 0.10716E-02 ppm1 8.578 ppm2 2.002 CV 1 ASSI { 496} (( segid " " and resid 165 and name HN )) ( segid " " and resid 162 and name HE% ) 4.200 2.200 1.800 peak 496 spectrum 1 weight 0.11000E+01 volume 0.39882E-03 ppm1 8.578 ppm2 6.507 CV 1 ASSI { 497} (( segid " " and resid 165 and name HN )) (( segid " " and resid 163 and name HG1 )) 4.400 2.400 1.600 peak 497 spectrum 1 weight 0.11000E+01 volume 0.27351E-03 ppm1 8.585 ppm2 1.670 CV 1 ASSI { 498} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HA )) 2.000 0.500 0.500 peak 498 spectrum 1 weight 0.11000E+01 volume 0.79350E-02 ppm1 8.579 ppm2 4.573 CV 1 ASSI { 499} (( segid " " and resid 165 and name HN )) (( segid " " and resid 165 and name HA )) 2.900 1.000 1.000 peak 499 spectrum 1 weight 0.11000E+01 volume 0.15527E-02 ppm1 8.587 ppm2 4.295 CV 1 ASSI { 500} (( segid " " and resid 165 and name HN )) ( segid " " and resid 165 and name HG1%) 2.200 0.600 0.600 peak 500 spectrum 1 weight 0.11000E+01 volume 0.49120E-02 ppm1 8.581 ppm2 0.828 CV 1 ASSI { 501} (( segid " " and resid 165 and name HN )) (( segid " " and resid 166 and name HN )) 3.600 1.600 1.600 peak 501 spectrum 1 weight 0.11000E+01 volume 0.15313E-02 ppm1 8.580 ppm2 8.311 CV 1 ASSI { 502} (( segid " " and resid 165 and name HN )) ( segid " " and resid 168 and name HD% ) 4.700 4.700 1.300 peak 502 spectrum 1 weight 0.11000E+01 volume 0.61471E-03 ppm1 8.580 ppm2 7.324 CV 1 ASSI { 503} (( segid " " and resid 165 and name HN )) (( segid " " and resid 168 and name HN )) 5.300 3.500 0.700 peak 503 spectrum 1 weight 0.11000E+01 volume 0.50975E-03 ppm1 8.582 ppm2 7.885 CV 1 ASSI { 504} (( segid " " and resid 165 and name HN )) ( segid " " and resid 174 and name HE% ) 3.200 3.200 2.800 peak 504 spectrum 1 weight 0.11000E+01 volume 0.23218E-02 ppm1 8.572 ppm2 7.190 CV 1 ASSI { 506} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HA )) 3.000 1.100 1.100 peak 506 spectrum 1 weight 0.11000E+01 volume 0.13516E-02 ppm1 8.296 ppm2 4.293 CV 1 ASSI { 507} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HB )) 4.600 2.600 1.400 peak 507 spectrum 1 weight 0.11000E+01 volume 0.79255E-03 ppm1 8.287 ppm2 2.070 CV 1 ASSI { 508} (( segid " " and resid 166 and name HN )) ( segid " " and resid 165 and name HG1%) 3.500 1.600 1.600 peak 508 spectrum 1 weight 0.11000E+01 volume 0.24985E-02 ppm1 8.294 ppm2 0.834 CV 1 ASSI { 510} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HA )) 2.800 1.000 1.000 peak 510 spectrum 1 weight 0.11000E+01 volume 0.27097E-02 ppm1 8.294 ppm2 4.599 CV 1 ASSI { 511} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HB1 )) 3.200 1.300 1.300 peak 511 spectrum 1 weight 0.11000E+01 volume 0.16108E-02 ppm1 8.294 ppm2 2.896 CV 1 ASSI { 512} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HB2 )) 2.900 1.100 1.100 peak 512 spectrum 1 weight 0.11000E+01 volume 0.21752E-02 ppm1 8.293 ppm2 2.692 CV 1 ASSI { 513} (( segid " " and resid 166 and name HN )) (( segid " " and resid 167 and name HG2 )) 3.800 1.800 1.800 peak 513 spectrum 1 weight 0.11000E+01 volume 0.95114E-03 ppm1 8.291 ppm2 2.219 CV 1 ASSI { 514} (( segid " " and resid 166 and name HN )) ( segid " " and resid 168 and name HD% ) 4.300 2.300 1.700 peak 514 spectrum 1 weight 0.11000E+01 volume 0.37899E-03 ppm1 8.301 ppm2 7.338 CV 1 ASSI { 516} (( segid " " and resid 167 and name HN )) (( segid " " and resid 165 and name HA )) 4.100 2.100 1.900 peak 516 spectrum 1 weight 0.11000E+01 volume 0.68010E-03 ppm1 8.258 ppm2 4.288 CV 1 ASSI { 517} (( segid " " and resid 167 and name HN )) ( segid " " and resid 165 and name HG1%) 3.700 1.700 1.700 peak 517 spectrum 1 weight 0.11000E+01 volume 0.81620E-03 ppm1 8.254 ppm2 0.832 CV 1 ASSI { 518} (( segid " " and resid 167 and name HN )) (( segid " " and resid 166 and name HA )) 3.000 1.100 1.100 peak 518 spectrum 1 weight 0.11000E+01 volume 0.16824E-02 ppm1 8.254 ppm2 4.595 CV 1 ASSI { 519} (( segid " " and resid 167 and name HN )) (( segid " " and resid 166 and name HB1 )) 3.300 1.400 1.400 peak 519 spectrum 1 weight 0.11000E+01 volume 0.10624E-02 ppm1 8.260 ppm2 2.892 CV 1 ASSI { 520} (( segid " " and resid 167 and name HN )) (( segid " " and resid 166 and name HB2 )) 3.600 1.600 1.600 peak 520 spectrum 1 weight 0.11000E+01 volume 0.12110E-02 ppm1 8.262 ppm2 2.694 CV 1 ASSI { 521} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HA )) 2.900 1.000 1.000 peak 521 spectrum 1 weight 0.11000E+01 volume 0.16341E-02 ppm1 8.244 ppm2 4.108 CV 1 ASSI { 522} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB1 )) 3.000 1.100 1.100 peak 522 spectrum 1 weight 0.11000E+01 volume 0.19749E-02 ppm1 8.250 ppm2 1.903 CV 1 ASSI { 523} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB2 )) 3.400 1.400 1.400 peak 523 spectrum 1 weight 0.11000E+01 volume 0.27293E-02 ppm1 8.251 ppm2 1.727 CV 1 ASSI { 524} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HG2 )) 2.900 1.100 1.100 peak 524 spectrum 1 weight 0.11000E+01 volume 0.26433E-02 ppm1 8.253 ppm2 2.195 CV 1 ASSI { 525} (( segid " " and resid 167 and name HN )) (( segid " " and resid 168 and name HA )) 5.600 3.900 0.400 peak 525 spectrum 1 weight 0.11000E+01 volume 0.17285E-03 ppm1 8.257 ppm2 4.950 CV 1 ASSI { 526} (( segid " " and resid 167 and name HN )) (( segid " " and resid 168 and name HB1 )) 5.100 3.300 0.900 peak 526 spectrum 1 weight 0.11000E+01 volume 0.31606E-03 ppm1 8.251 ppm2 3.307 CV 1 ASSI { 527} (( segid " " and resid 167 and name HN )) ( segid " " and resid 168 and name HD% ) 4.100 2.100 1.900 peak 527 spectrum 1 weight 0.11000E+01 volume 0.96205E-03 ppm1 8.250 ppm2 7.317 CV 1 ASSI { 528} (( segid " " and resid 167 and name HN )) (( segid " " and resid 168 and name HN )) 2.600 0.800 0.800 peak 528 spectrum 1 weight 0.11000E+01 volume 0.25316E-02 ppm1 8.251 ppm2 7.884 CV 1 ASSI { 529} (( segid " " and resid 167 and name HN )) (( segid " " and resid 170 and name HN )) 5.500 3.700 0.500 peak 529 spectrum 1 weight 0.11000E+01 volume 0.35182E-03 ppm1 8.258 ppm2 7.575 CV 1 ASSI { 531} (( segid " " and resid 168 and name HN )) (( segid " " and resid 165 and name HA )) 4.700 2.800 1.300 peak 531 spectrum 1 weight 0.11000E+01 volume 0.52140E-03 ppm1 7.893 ppm2 4.298 CV 1 ASSI { 533} (( segid " " and resid 168 and name HN )) (( segid " " and resid 166 and name HA )) 4.000 2.000 2.000 peak 533 spectrum 1 weight 0.11000E+01 volume 0.11056E-02 ppm1 7.894 ppm2 4.598 CV 1 ASSI { 534} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HA )) 3.100 1.200 1.200 peak 534 spectrum 1 weight 0.11000E+01 volume 0.12391E-02 ppm1 7.890 ppm2 4.102 CV 1 ASSI { 535} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HB1 )) 4.400 2.500 1.600 peak 535 spectrum 1 weight 0.11000E+01 volume 0.53260E-03 ppm1 7.891 ppm2 1.896 CV 1 ASSI { 536} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HB2 )) 4.200 2.200 1.800 peak 536 spectrum 1 weight 0.11000E+01 volume 0.71120E-03 ppm1 7.891 ppm2 1.724 CV 1 ASSI { 537} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HG2 )) 4.200 2.200 1.800 peak 537 spectrum 1 weight 0.11000E+01 volume 0.54801E-03 ppm1 7.891 ppm2 2.192 CV 1 ASSI { 539} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HA )) 3.000 1.100 1.100 peak 539 spectrum 1 weight 0.11000E+01 volume 0.14508E-02 ppm1 7.891 ppm2 4.928 CV 1 ASSI { 540} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HB1 )) 3.000 1.200 1.200 peak 540 spectrum 1 weight 0.11000E+01 volume 0.12285E-02 ppm1 7.893 ppm2 3.300 CV 1 ASSI { 541} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HB2 )) 3.000 1.100 1.100 peak 541 spectrum 1 weight 0.11000E+01 volume 0.18463E-02 ppm1 7.890 ppm2 3.047 CV 1 ASSI { 542} (( segid " " and resid 168 and name HN )) ( segid " " and resid 168 and name HD% ) 3.000 1.200 1.200 peak 542 spectrum 1 weight 0.11000E+01 volume 0.24476E-02 ppm1 7.890 ppm2 7.319 CV 1 ASSI { 543} (( segid " " and resid 168 and name HN )) (( segid " " and resid 169 and name HN )) 3.400 1.500 1.500 peak 543 spectrum 1 weight 0.11000E+01 volume 0.58059E-03 ppm1 7.887 ppm2 9.146 CV 1 ASSI { 544} (( segid " " and resid 168 and name HN )) (( segid " " and resid 170 and name HN )) 4.300 2.300 1.700 peak 544 spectrum 1 weight 0.11000E+01 volume 0.46385E-03 ppm1 7.892 ppm2 7.624 CV 1 ASSI { 545} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HA )) 3.200 1.200 1.200 peak 545 spectrum 1 weight 0.11000E+01 volume 0.16802E-02 ppm1 9.154 ppm2 4.928 CV 1 ASSI { 546} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HB1 )) 4.000 2.000 2.000 peak 546 spectrum 1 weight 0.11000E+01 volume 0.49182E-03 ppm1 9.155 ppm2 3.297 CV 1 ASSI { 547} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HB2 )) 4.200 2.200 1.800 peak 547 spectrum 1 weight 0.11000E+01 volume 0.32764E-03 ppm1 9.152 ppm2 3.048 CV 1 ASSI { 548} (( segid " " and resid 169 and name HN )) ( segid " " and resid 168 and name HD% ) 4.600 2.700 1.400 peak 548 spectrum 1 weight 0.11000E+01 volume 0.31830E-03 ppm1 9.163 ppm2 7.328 CV 1 ASSI { 549} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HA )) 3.400 1.500 1.500 peak 549 spectrum 1 weight 0.11000E+01 volume 0.83470E-03 ppm1 9.154 ppm2 4.537 CV 1 ASSI { 550} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HB1 )) 3.900 1.900 1.900 peak 550 spectrum 1 weight 0.11000E+01 volume 0.66337E-03 ppm1 9.153 ppm2 3.974 CV 1 OR { 550} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HB2 )) ASSI { 551} (( segid " " and resid 169 and name HN )) (( segid " " and resid 170 and name HA )) 4.500 2.500 1.500 peak 551 spectrum 1 weight 0.11000E+01 volume 0.65015E-03 ppm1 9.156 ppm2 4.749 CV 1 ASSI { 554} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HA )) 4.300 2.300 1.700 peak 554 spectrum 1 weight 0.11000E+01 volume 0.57931E-03 ppm1 7.607 ppm2 4.928 CV 1 ASSI { 555} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HB1 )) 3.400 1.400 1.400 peak 555 spectrum 1 weight 0.11000E+01 volume 0.13158E-02 ppm1 7.605 ppm2 3.302 CV 1 ASSI { 556} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HB2 )) 3.200 3.200 2.800 peak 556 spectrum 1 weight 0.11000E+01 volume 0.16578E-02 ppm1 7.604 ppm2 3.001 CV 1 ASSI { 557} (( segid " " and resid 170 and name HN )) ( segid " " and resid 168 and name HD% ) 3.600 1.600 1.600 peak 557 spectrum 1 weight 0.11000E+01 volume 0.74929E-03 ppm1 7.619 ppm2 7.330 CV 1 ASSI { 559} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HA )) 3.100 1.200 1.200 peak 559 spectrum 1 weight 0.11000E+01 volume 0.15317E-02 ppm1 7.609 ppm2 4.542 CV 1 ASSI { 560} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HN )) 3.000 1.100 1.100 peak 560 spectrum 1 weight 0.11000E+01 volume 0.17463E-02 ppm1 7.607 ppm2 9.151 CV 1 ASSI { 561} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HA )) 3.400 1.400 1.400 peak 561 spectrum 1 weight 0.11000E+01 volume 0.10218E-02 ppm1 7.603 ppm2 4.738 CV 1 ASSI { 563} (( segid " " and resid 170 and name HN )) (( segid " " and resid 174 and name HN )) 4.200 4.200 1.800 peak 563 spectrum 1 weight 0.11000E+01 volume 0.85263E-03 ppm1 7.623 ppm2 7.235 CV 1 ASSI { 567} (( segid " " and resid 171 and name HN )) (( segid " " and resid 216 and name HB2 )) 3.800 3.800 2.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.23368E-02 ppm1 8.586 ppm2 1.662 CV 1 ASSI { 569} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HA )) 3.000 1.200 1.200 peak 569 spectrum 1 weight 0.11000E+01 volume 0.15810E-02 ppm1 8.576 ppm2 4.744 CV 1 ASSI { 570} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HB1 )) 3.600 1.600 1.600 peak 570 spectrum 1 weight 0.11000E+01 volume 0.17601E-02 ppm1 8.584 ppm2 3.164 CV 1 ASSI { 571} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HB2 )) 3.400 1.500 1.500 peak 571 spectrum 1 weight 0.11000E+01 volume 0.20759E-02 ppm1 8.586 ppm2 2.998 CV 1 ASSI { 572} (( segid " " and resid 171 and name HN )) (( segid " " and resid 172 and name HA )) 4.700 2.800 1.300 peak 572 spectrum 1 weight 0.11000E+01 volume 0.36203E-03 ppm1 8.595 ppm2 4.249 CV 1 ASSI { 573} (( segid " " and resid 171 and name HN )) (( segid " " and resid 172 and name HN )) 2.500 0.800 0.800 peak 573 spectrum 1 weight 0.11000E+01 volume 0.27002E-02 ppm1 8.582 ppm2 8.426 CV 1 ASSI { 574} (( segid " " and resid 171 and name HN )) (( segid " " and resid 174 and name HB1 )) 4.300 2.300 1.700 peak 574 spectrum 1 weight 0.11000E+01 volume 0.15948E-02 ppm1 8.586 ppm2 2.760 CV 1 ASSI { 575} (( segid " " and resid 172 and name HN )) (( segid " " and resid 170 and name HN )) 5.100 3.300 0.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.39335E-03 ppm1 8.414 ppm2 7.566 CV 1 ASSI { 578} (( segid " " and resid 172 and name HN )) (( segid " " and resid 216 and name HB2 )) 4.000 2.000 2.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.12661E-02 ppm1 8.413 ppm2 1.643 CV 1 ASSI { 581} (( segid " " and resid 172 and name HN )) (( segid " " and resid 170 and name HA )) 3.900 1.900 1.900 peak 581 spectrum 1 weight 0.11000E+01 volume 0.39486E-03 ppm1 8.414 ppm2 4.747 CV 1 ASSI { 582} (( segid " " and resid 172 and name HN )) (( segid " " and resid 170 and name HB1 )) 3.900 1.900 1.900 peak 582 spectrum 1 weight 0.11000E+01 volume 0.93711E-03 ppm1 8.410 ppm2 3.170 CV 1 ASSI { 583} (( segid " " and resid 172 and name HN )) (( segid " " and resid 170 and name HB2 )) 4.000 2.000 2.000 peak 583 spectrum 1 weight 0.11000E+01 volume 0.12380E-02 ppm1 8.413 ppm2 2.973 CV 1 ASSI { 584} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HA )) 2.500 0.800 0.800 peak 584 spectrum 1 weight 0.11000E+01 volume 0.27977E-02 ppm1 8.413 ppm2 4.187 CV 1 ASSI { 585} (( segid " " and resid 172 and name HN )) (( segid " " and resid 173 and name HN )) 2.200 0.600 0.600 peak 585 spectrum 1 weight 0.11000E+01 volume 0.71107E-02 ppm1 8.411 ppm2 8.568 CV 1 ASSI { 586} (( segid " " and resid 172 and name HN )) (( segid " " and resid 174 and name HB1 )) 3.300 3.300 2.700 peak 586 spectrum 1 weight 0.11000E+01 volume 0.52628E-02 ppm1 8.413 ppm2 2.719 CV 1 ASSI { 587} (( segid " " and resid 172 and name HN )) (( segid " " and resid 174 and name HN )) 4.600 2.600 1.400 peak 587 spectrum 1 weight 0.11000E+01 volume 0.35242E-03 ppm1 8.413 ppm2 7.201 CV 1 ASSI { 588} (( segid " " and resid 172 and name HN )) (( segid " " and resid 175 and name HB )) 4.800 2.900 1.200 peak 588 spectrum 1 weight 0.11000E+01 volume 0.36784E-03 ppm1 8.414 ppm2 2.175 CV 1 ASSI { 592} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HB1 )) 3.400 1.500 1.500 peak 592 spectrum 1 weight 0.11000E+01 volume 0.18582E-02 ppm1 8.570 ppm2 3.192 CV 1 ASSI { 593} (( segid " " and resid 173 and name HN )) (( segid " " and resid 217 and name HA )) 3.700 3.700 2.300 peak 593 spectrum 1 weight 0.11000E+01 volume 0.28348E-02 ppm1 8.570 ppm2 2.917 CV 1 ASSI { 594} (( segid " " and resid 173 and name HN )) (( segid " " and resid 170 and name HN )) 4.200 2.200 1.800 peak 594 spectrum 1 weight 0.11000E+01 volume 0.72503E-03 ppm1 8.571 ppm2 7.607 CV 1 ASSI { 595} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HG1 )) 3.400 1.400 1.400 peak 595 spectrum 1 weight 0.11000E+01 volume 0.14407E-02 ppm1 8.580 ppm2 2.477 CV 1 ASSI { 596} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HA )) 3.300 1.300 1.300 peak 596 spectrum 1 weight 0.11000E+01 volume 0.66405E-03 ppm1 8.572 ppm2 4.236 CV 1 ASSI { 599} (( segid " " and resid 174 and name HN )) (( segid " " and resid 178 and name HB2 )) 3.900 3.900 2.100 peak 599 spectrum 1 weight 0.11000E+01 volume 0.15915E-02 ppm1 7.195 ppm2 3.074 CV 1 ASSI { 601} (( segid " " and resid 174 and name HN )) (( segid " " and resid 170 and name HB2 )) 5.000 3.100 1.000 peak 601 spectrum 1 weight 0.11000E+01 volume 0.38090E-03 ppm1 7.198 ppm2 2.978 CV 1 ASSI { 603} (( segid " " and resid 174 and name HN )) (( segid " " and resid 171 and name HG1 )) 3.500 1.600 1.600 peak 603 spectrum 1 weight 0.11000E+01 volume 0.11656E-02 ppm1 7.194 ppm2 2.485 CV 1 ASSI { 604} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HN )) 3.100 1.200 1.200 peak 604 spectrum 1 weight 0.11000E+01 volume 0.10738E-02 ppm1 7.194 ppm2 8.574 CV 1 ASSI { 605} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HB1 )) 4.100 2.100 1.900 peak 605 spectrum 1 weight 0.11000E+01 volume 0.11271E-02 ppm1 7.195 ppm2 2.747 CV 1 ASSI { 606} (( segid " " and resid 174 and name HN )) ( segid " " and resid 175 and name HG1%) 5.200 3.400 0.800 peak 606 spectrum 1 weight 0.11000E+01 volume 0.39105E-03 ppm1 7.191 ppm2 1.033 CV 1 ASSI { 608} (( segid " " and resid 174 and name HN )) (( segid " " and resid 176 and name HB2 )) 4.500 2.600 1.500 peak 608 spectrum 1 weight 0.11000E+01 volume 0.41278E-03 ppm1 7.199 ppm2 3.309 CV 1 OR { 608} (( segid " " and resid 174 and name HN )) (( segid " " and resid 176 and name HB1 )) ASSI { 610} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HA )) 4.200 2.200 1.800 peak 610 spectrum 1 weight 0.11000E+01 volume 0.43247E-03 ppm1 7.188 ppm2 4.568 CV 1 ASSI { 611} (( segid " " and resid 175 and name HN )) (( segid " " and resid 171 and name HG1 )) 3.600 1.600 1.600 peak 611 spectrum 1 weight 0.11000E+01 volume 0.82981E-03 ppm1 8.888 ppm2 2.490 CV 1 ASSI { 612} (( segid " " and resid 175 and name HN )) (( segid " " and resid 172 and name HA )) 3.900 1.900 1.900 peak 612 spectrum 1 weight 0.11000E+01 volume 0.57523E-03 ppm1 8.887 ppm2 4.190 CV 1 ASSI { 613} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HB1 )) 3.800 1.800 1.800 peak 613 spectrum 1 weight 0.11000E+01 volume 0.71621E-03 ppm1 8.888 ppm2 2.754 CV 1 ASSI { 614} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HN )) 2.800 1.000 1.000 peak 614 spectrum 1 weight 0.11000E+01 volume 0.17822E-02 ppm1 8.887 ppm2 7.195 CV 1 ASSI { 615} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HA )) 3.200 1.300 1.300 peak 615 spectrum 1 weight 0.11000E+01 volume 0.87759E-03 ppm1 8.886 ppm2 3.385 CV 1 ASSI { 616} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HB )) 2.700 0.900 0.900 peak 616 spectrum 1 weight 0.11000E+01 volume 0.23744E-02 ppm1 8.888 ppm2 2.174 CV 1 ASSI { 617} (( segid " " and resid 175 and name HN )) ( segid " " and resid 175 and name HG1%) 3.600 1.600 1.600 peak 617 spectrum 1 weight 0.11000E+01 volume 0.27546E-02 ppm1 8.888 ppm2 1.033 CV 1 ASSI { 619} (( segid " " and resid 175 and name HN )) (( segid " " and resid 177 and name HB1 )) 3.700 3.700 2.300 peak 619 spectrum 1 weight 0.11000E+01 volume 0.11516E-02 ppm1 8.886 ppm2 3.078 CV 1 ASSI { 620} (( segid " " and resid 176 and name HN )) (( segid " " and resid 177 and name HB2 )) 4.700 2.800 1.300 peak 620 spectrum 1 weight 0.11000E+01 volume 0.51343E-03 ppm1 8.393 ppm2 2.958 CV 1 ASSI { 621} (( segid " " and resid 176 and name HN )) (( segid " " and resid 210 and name HG2 )) 4.400 2.400 1.600 peak 621 spectrum 1 weight 0.11000E+01 volume 0.62065E-03 ppm1 8.384 ppm2 2.033 CV 1 ASSI { 622} (( segid " " and resid 176 and name HN )) (( segid " " and resid 174 and name HN )) 4.200 2.300 1.800 peak 622 spectrum 1 weight 0.11000E+01 volume 0.62476E-03 ppm1 8.387 ppm2 7.189 CV 1 ASSI { 623} (( segid " " and resid 176 and name HN )) ( segid " " and resid 175 and name HG1%) 3.300 1.400 1.400 peak 623 spectrum 1 weight 0.11000E+01 volume 0.18246E-02 ppm1 8.388 ppm2 1.030 CV 1 ASSI { 624} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HN )) 3.200 1.300 1.300 peak 624 spectrum 1 weight 0.11000E+01 volume 0.14260E-02 ppm1 8.388 ppm2 8.883 CV 1 ASSI { 625} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HB1 )) 2.500 0.800 0.800 peak 625 spectrum 1 weight 0.11000E+01 volume 0.48891E-02 ppm1 8.387 ppm2 3.351 CV 1 OR { 625} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HB2 )) ASSI { 626} (( segid " " and resid 176 and name HN )) (( segid " " and resid 177 and name HA )) 3.800 1.800 1.800 peak 626 spectrum 1 weight 0.11000E+01 volume 0.13720E-02 ppm1 8.386 ppm2 4.555 CV 1 ASSI { 627} (( segid " " and resid 176 and name HN )) (( segid " " and resid 177 and name HN )) 2.900 1.100 1.100 peak 627 spectrum 1 weight 0.11000E+01 volume 0.16797E-02 ppm1 8.387 ppm2 7.401 CV 1 ASSI { 630} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HB2 )) 2.500 0.800 0.800 peak 630 spectrum 1 weight 0.11000E+01 volume 0.51265E-02 ppm1 7.402 ppm2 2.957 CV 1 ASSI { 632} (( segid " " and resid 177 and name HN )) (( segid " " and resid 179 and name HB )) 4.800 2.800 1.200 peak 632 spectrum 1 weight 0.11000E+01 volume 0.29248E-03 ppm1 7.407 ppm2 2.170 CV 1 ASSI { 633} (( segid " " and resid 177 and name HN )) (( segid " " and resid 175 and name HA )) 3.200 1.200 1.200 peak 633 spectrum 1 weight 0.11000E+01 volume 0.23140E-02 ppm1 7.407 ppm2 3.375 CV 1 ASSI { 634} (( segid " " and resid 177 and name HN )) ( segid " " and resid 175 and name HG1%) 4.400 2.400 1.600 peak 634 spectrum 1 weight 0.11000E+01 volume 0.47187E-03 ppm1 7.402 ppm2 1.039 CV 1 ASSI { 635} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HB2 )) 2.900 1.100 1.100 peak 635 spectrum 1 weight 0.11000E+01 volume 0.23607E-02 ppm1 7.402 ppm2 3.336 CV 1 OR { 635} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HB1 )) ASSI { 637} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HA )) 2.800 1.000 1.000 peak 637 spectrum 1 weight 0.11000E+01 volume 0.27082E-02 ppm1 7.402 ppm2 4.563 CV 1 ASSI { 639} (( segid " " and resid 177 and name HN )) (( segid " " and resid 178 and name HB2 )) 5.300 5.300 0.700 peak 639 spectrum 1 weight 0.11000E+01 volume 0.35566E-03 ppm1 7.409 ppm2 3.163 CV 1 ASSI { 640} (( segid " " and resid 177 and name HN )) (( segid " " and resid 178 and name HN )) 2.900 1.000 1.000 peak 640 spectrum 1 weight 0.11000E+01 volume 0.19596E-02 ppm1 7.402 ppm2 8.110 CV 1 ASSI { 641} (( segid " " and resid 177 and name HN )) (( segid " " and resid 179 and name HN )) 4.500 2.500 1.500 peak 641 spectrum 1 weight 0.11000E+01 volume 0.36160E-03 ppm1 7.399 ppm2 9.199 CV 1 ASSI { 642} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HA )) 3.600 1.600 1.600 peak 642 spectrum 1 weight 0.10000E+01 volume 0.88017E-03 ppm1 7.400 ppm2 4.295 CV 1 ASSI { 643} (( segid " " and resid 177 and name HN )) (( segid " " and resid 180 and name HB1 )) 6.000 4.600 0.000 peak 643 spectrum 1 weight 0.11000E+01 volume 0.31533E-03 ppm1 7.403 ppm2 2.790 CV 1 ASSI { 645} (( segid " " and resid 178 and name HN )) ( segid " " and resid 175 and name HG1%) 4.100 2.100 1.900 peak 645 spectrum 1 weight 0.11000E+01 volume 0.65659E-03 ppm1 8.114 ppm2 1.042 CV 1 ASSI { 646} (( segid " " and resid 178 and name HN )) (( segid " " and resid 181 and name HG11)) 4.300 2.300 1.700 peak 646 spectrum 1 weight 0.11000E+01 volume 0.53376E-03 ppm1 8.112 ppm2 0.866 CV 1 ASSI { 647} (( segid " " and resid 178 and name HN )) (( segid " " and resid 180 and name HB1 )) 3.900 1.900 1.900 peak 647 spectrum 1 weight 0.11000E+01 volume 0.28370E-02 ppm1 8.111 ppm2 2.832 CV 1 ASSI { 648} (( segid " " and resid 178 and name HN )) (( segid " " and resid 177 and name HB2 )) 3.600 1.600 1.600 peak 648 spectrum 1 weight 0.11000E+01 volume 0.21744E-02 ppm1 8.111 ppm2 2.956 CV 1 ASSI { 649} (( segid " " and resid 178 and name HN )) (( segid " " and resid 176 and name HB2 )) 4.200 2.200 1.800 peak 649 spectrum 1 weight 0.11000E+01 volume 0.10390E-02 ppm1 8.111 ppm2 3.379 CV 1 OR { 649} (( segid " " and resid 178 and name HN )) (( segid " " and resid 176 and name HB1 )) ASSI { 650} (( segid " " and resid 178 and name HN )) (( segid " " and resid 179 and name HA )) 5.000 3.100 1.000 peak 650 spectrum 1 weight 0.11000E+01 volume 0.25285E-03 ppm1 8.117 ppm2 3.654 CV 1 ASSI { 651} (( segid " " and resid 178 and name HN )) (( segid " " and resid 174 and name HN )) 4.700 2.800 1.300 peak 651 spectrum 1 weight 0.11000E+01 volume 0.29824E-03 ppm1 8.107 ppm2 7.213 CV 1 ASSI { 653} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HA )) 3.000 1.200 1.200 peak 653 spectrum 1 weight 0.11000E+01 volume 0.12982E-02 ppm1 8.115 ppm2 4.658 CV 1 ASSI { 655} (( segid " " and resid 178 and name HN )) (( segid " " and resid 179 and name HN )) 2.900 1.000 1.000 peak 655 spectrum 1 weight 0.11000E+01 volume 0.17108E-02 ppm1 8.113 ppm2 9.204 CV 1 ASSI { 656} (( segid " " and resid 178 and name HN )) (( segid " " and resid 176 and name HA )) 3.700 1.700 1.700 peak 656 spectrum 1 weight 0.11000E+01 volume 0.96137E-03 ppm1 8.112 ppm2 4.329 CV 1 ASSI { 657} (( segid " " and resid 179 and name HN )) (( segid " " and resid 177 and name HB1 )) 5.200 3.400 0.800 peak 657 spectrum 1 weight 0.11000E+01 volume 0.22338E-03 ppm1 9.201 ppm2 2.940 CV 1 ASSI { 658} (( segid " " and resid 179 and name HN )) (( segid " " and resid 175 and name HA )) 3.500 1.500 1.500 peak 658 spectrum 1 weight 0.11000E+01 volume 0.67536E-03 ppm1 9.207 ppm2 3.386 CV 1 ASSI { 660} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HA )) 3.800 1.800 1.800 peak 660 spectrum 1 weight 0.11000E+01 volume 0.47658E-03 ppm1 9.206 ppm2 4.650 CV 1 ASSI { 661} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HB2 )) 3.300 3.300 2.700 peak 661 spectrum 1 weight 0.11000E+01 volume 0.11560E-02 ppm1 9.206 ppm2 3.178 CV 1 ASSI { 663} (( segid " " and resid 179 and name HN )) (( segid " " and resid 179 and name HA )) 2.800 1.000 1.000 peak 663 spectrum 1 weight 0.11000E+01 volume 0.16810E-02 ppm1 9.206 ppm2 3.662 CV 1 ASSI { 664} (( segid " " and resid 179 and name HN )) (( segid " " and resid 179 and name HB )) 2.800 0.900 0.900 peak 664 spectrum 1 weight 0.11000E+01 volume 0.36862E-02 ppm1 9.206 ppm2 2.128 CV 1 ASSI { 665} (( segid " " and resid 179 and name HN )) ( segid " " and resid 179 and name HG1%) 3.200 1.300 1.300 peak 665 spectrum 1 weight 0.11000E+01 volume 0.39025E-02 ppm1 9.207 ppm2 1.055 CV 1 ASSI { 666} (( segid " " and resid 179 and name HN )) (( segid " " and resid 180 and name HA )) 4.300 2.300 1.700 peak 666 spectrum 1 weight 0.11000E+01 volume 0.84706E-03 ppm1 9.202 ppm2 4.295 CV 1 ASSI { 667} (( segid " " and resid 179 and name HN )) (( segid " " and resid 180 and name HB1 )) 4.600 2.600 1.400 peak 667 spectrum 1 weight 0.11000E+01 volume 0.13972E-02 ppm1 9.205 ppm2 2.834 CV 1 ASSI { 668} (( segid " " and resid 179 and name HN )) (( segid " " and resid 180 and name HN )) 2.900 1.000 1.000 peak 668 spectrum 1 weight 0.11000E+01 volume 0.18240E-02 ppm1 9.205 ppm2 7.661 CV 1 ASSI { 669} (( segid " " and resid 179 and name HN )) (( segid " " and resid 181 and name HN )) 4.500 2.500 1.500 peak 669 spectrum 1 weight 0.11000E+01 volume 0.24999E-03 ppm1 9.206 ppm2 8.652 CV 1 ASSI { 670} (( segid " " and resid 179 and name HN )) ( segid " " and resid 183 and name HG1%) 3.600 1.600 1.600 peak 670 spectrum 1 weight 0.11000E+01 volume 0.19360E-02 ppm1 9.204 ppm2 0.999 CV 1 ASSI { 671} (( segid " " and resid 179 and name HN )) ( segid " " and resid 209 and name HG1%) 3.500 1.500 1.500 peak 671 spectrum 1 weight 0.11000E+01 volume 0.14892E-02 ppm1 9.202 ppm2 0.950 CV 1 ASSI { 672} (( segid " " and resid 179 and name HN )) ( segid " " and resid 209 and name HG2%) 4.900 4.900 1.100 peak 672 spectrum 1 weight 0.11000E+01 volume 0.60134E-03 ppm1 9.202 ppm2 1.157 CV 1 ASSI { 673} (( segid " " and resid 179 and name HN )) (( segid " " and resid 210 and name HA )) 5.500 3.800 0.500 peak 673 spectrum 1 weight 0.11000E+01 volume 0.19817E-03 ppm1 9.201 ppm2 3.586 CV 1 ASSI { 674} (( segid " " and resid 179 and name HN )) (( segid " " and resid 213 and name HB1 )) 4.400 2.500 1.600 peak 674 spectrum 1 weight 0.11000E+01 volume 0.38202E-03 ppm1 9.201 ppm2 3.523 CV 1 ASSI { 675} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HB )) 2.600 0.900 0.900 peak 675 spectrum 1 weight 0.11000E+01 volume 0.31564E-02 ppm1 7.666 ppm2 2.130 CV 1 ASSI { 676} (( segid " " and resid 180 and name HN )) (( segid " " and resid 177 and name HA )) 3.800 1.800 1.800 peak 676 spectrum 1 weight 0.11000E+01 volume 0.12711E-02 ppm1 7.665 ppm2 4.563 CV 1 ASSI { 677} (( segid " " and resid 180 and name HN )) ( segid " " and resid 179 and name HG1%) 3.700 1.700 1.700 peak 677 spectrum 1 weight 0.11000E+01 volume 0.12837E-02 ppm1 7.668 ppm2 1.041 CV 1 ASSI { 679} (( segid " " and resid 180 and name HN )) (( segid " " and resid 180 and name HA )) 2.700 0.900 0.900 peak 679 spectrum 1 weight 0.11000E+01 volume 0.35862E-02 ppm1 7.665 ppm2 4.288 CV 1 ASSI { 680} (( segid " " and resid 180 and name HN )) (( segid " " and resid 180 and name HB1 )) 3.400 1.400 1.400 peak 680 spectrum 1 weight 0.11000E+01 volume 0.46974E-02 ppm1 7.666 ppm2 2.837 CV 1 ASSI { 681} (( segid " " and resid 180 and name HN )) (( segid " " and resid 181 and name HN )) 2.800 1.000 1.000 peak 681 spectrum 1 weight 0.11000E+01 volume 0.17170E-02 ppm1 7.666 ppm2 8.645 CV 1 ASSI { 682} (( segid " " and resid 180 and name HN )) (( segid " " and resid 182 and name HN )) 3.800 1.800 1.800 peak 682 spectrum 1 weight 0.11000E+01 volume 0.55510E-03 ppm1 7.664 ppm2 8.098 CV 1 ASSI { 683} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HA )) 2.800 1.000 1.000 peak 683 spectrum 1 weight 0.11000E+01 volume 0.22078E-02 ppm1 7.653 ppm2 3.674 CV 1 ASSI { 684} (( segid " " and resid 180 and name HN )) ( segid " " and resid 183 and name HG2%) 3.400 1.400 1.400 peak 684 spectrum 1 weight 0.11000E+01 volume 0.18203E-02 ppm1 7.665 ppm2 0.934 CV 1 ASSI { 685} (( segid " " and resid 180 and name HN )) (( segid " " and resid 184 and name HB1 )) 3.600 3.600 2.400 peak 685 spectrum 1 weight 0.11000E+01 volume 0.34438E-02 ppm1 7.653 ppm2 1.944 CV 1 ASSI { 686} (( segid " " and resid 181 and name HN )) (( segid " " and resid 177 and name HA )) 4.400 2.400 1.600 peak 686 spectrum 1 weight 0.11000E+01 volume 0.53321E-03 ppm1 8.655 ppm2 4.536 CV 1 ASSI { 687} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HA )) 3.500 1.500 1.500 peak 687 spectrum 1 weight 0.11000E+01 volume 0.70155E-03 ppm1 8.650 ppm2 4.301 CV 1 ASSI { 688} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HB1 )) 3.100 1.200 1.200 peak 688 spectrum 1 weight 0.11000E+01 volume 0.16780E-02 ppm1 8.650 ppm2 2.819 CV 1 ASSI { 690} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HA )) 2.900 1.100 1.100 peak 690 spectrum 1 weight 0.11000E+01 volume 0.14614E-02 ppm1 8.650 ppm2 3.736 CV 1 ASSI { 691} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HB )) 3.200 1.300 1.300 peak 691 spectrum 1 weight 0.11000E+01 volume 0.26791E-02 ppm1 8.651 ppm2 1.564 CV 1 ASSI { 692} (( segid " " and resid 181 and name HN )) ( segid " " and resid 181 and name HD1%) 4.200 2.200 1.800 peak 692 spectrum 1 weight 0.11000E+01 volume 0.76525E-03 ppm1 8.648 ppm2 0.386 CV 1 ASSI { 693} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HG11)) 2.500 2.500 3.500 peak 693 spectrum 1 weight 0.11000E+01 volume 0.11383E-02 ppm1 8.653 ppm2 0.810 CV 1 ASSI { 694} (( segid " " and resid 181 and name HN )) ( segid " " and resid 181 and name HG2%) 3.500 1.500 1.500 peak 694 spectrum 1 weight 0.11000E+01 volume 0.10739E-02 ppm1 8.651 ppm2 0.228 CV 1 ASSI { 696} (( segid " " and resid 181 and name HN )) ( segid " " and resid 183 and name HG2%) 3.300 3.300 2.700 peak 696 spectrum 1 weight 0.11000E+01 volume 0.17398E-02 ppm1 8.652 ppm2 0.900 CV 1 ASSI { 697} (( segid " " and resid 181 and name HN )) (( segid " " and resid 183 and name HN )) 3.700 1.700 1.700 peak 697 spectrum 1 weight 0.11000E+01 volume 0.44621E-03 ppm1 8.651 ppm2 8.803 CV 1 ASSI { 698} (( segid " " and resid 181 and name HN )) (( segid " " and resid 185 and name HN )) 3.400 3.400 2.600 peak 698 spectrum 1 weight 0.11000E+01 volume 0.19438E-02 ppm1 8.636 ppm2 8.368 CV 1 ASSI { 699} (( segid " " and resid 182 and name HN )) ( segid " " and resid 161 and name HD% ) 5.100 3.200 0.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.47799E-03 ppm1 8.096 ppm2 6.873 CV 1 ASSI { 700} (( segid " " and resid 215 and name HN )) (( segid " " and resid 214 and name HN )) 2.400 0.700 0.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.37435E-02 ppm1 8.098 ppm2 8.362 CV 1 ASSI { 701} (( segid " " and resid 182 and name HN )) ( segid " " and resid 161 and name HE% ) 3.900 3.900 2.100 peak 701 spectrum 1 weight 0.11000E+01 volume 0.29400E-02 ppm1 8.095 ppm2 6.327 CV 1 ASSI { 702} (( segid " " and resid 182 and name HN )) (( segid " " and resid 161 and name HB1 )) 5.900 4.300 0.100 peak 702 spectrum 1 weight 0.11000E+01 volume 0.67971E-03 ppm1 8.095 ppm2 2.559 CV 1 ASSI { 703} (( segid " " and resid 182 and name HN )) (( segid " " and resid 178 and name HB2 )) 3.400 3.400 2.600 peak 703 spectrum 1 weight 0.11000E+01 volume 0.31326E-02 ppm1 8.102 ppm2 3.172 CV 1 ASSI { 705} (( segid " " and resid 182 and name HN )) ( segid " " and resid 181 and name HG2%) 4.300 2.300 1.700 peak 705 spectrum 1 weight 0.11000E+01 volume 0.10600E-02 ppm1 8.094 ppm2 0.228 CV 1 ASSI { 706} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HN )) 2.600 0.800 0.800 peak 706 spectrum 1 weight 0.11000E+01 volume 0.18459E-02 ppm1 8.095 ppm2 8.658 CV 1 ASSI { 708} (( segid " " and resid 182 and name HN )) ( segid " " and resid 183 and name HG1%) 3.700 1.700 1.700 peak 708 spectrum 1 weight 0.11000E+01 volume 0.72413E-03 ppm1 8.097 ppm2 0.981 CV 1 ASSI { 709} (( segid " " and resid 182 and name HN )) (( segid " " and resid 183 and name HN )) 2.300 0.600 0.600 peak 709 spectrum 1 weight 0.11000E+01 volume 0.20196E-02 ppm1 8.096 ppm2 8.796 CV 1 ASSI { 710} (( segid " " and resid 182 and name HN )) ( segid " " and resid 209 and name HG1%) 4.400 2.500 1.600 peak 710 spectrum 1 weight 0.11000E+01 volume 0.59904E-03 ppm1 8.096 ppm2 0.962 CV 1 ASSI { 712} (( segid " " and resid 183 and name HN )) (( segid " " and resid 180 and name HA )) 4.000 2.000 2.000 peak 712 spectrum 1 weight 0.11000E+01 volume 0.36651E-03 ppm1 8.795 ppm2 4.309 CV 1 ASSI { 713} (( segid " " and resid 183 and name HN )) (( segid " " and resid 182 and name HA )) 3.300 1.300 1.300 peak 713 spectrum 1 weight 0.11000E+01 volume 0.77025E-03 ppm1 8.802 ppm2 4.049 CV 1 ASSI { 714} (( segid " " and resid 183 and name HN )) (( segid " " and resid 182 and name HB )) 2.900 1.000 1.000 peak 714 spectrum 1 weight 0.11000E+01 volume 0.13921E-02 ppm1 8.801 ppm2 4.490 CV 1 ASSI { 716} (( segid " " and resid 183 and name HN )) (( segid " " and resid 183 and name HA )) 2.800 1.000 1.000 peak 716 spectrum 1 weight 0.11000E+01 volume 0.21165E-02 ppm1 8.801 ppm2 3.625 CV 1 ASSI { 717} (( segid " " and resid 183 and name HN )) (( segid " " and resid 183 and name HB )) 3.100 1.200 1.200 peak 717 spectrum 1 weight 0.11000E+01 volume 0.34353E-02 ppm1 8.803 ppm2 2.277 CV 1 ASSI { 718} (( segid " " and resid 183 and name HN )) ( segid " " and resid 183 and name HG1%) 2.000 0.500 0.500 peak 718 spectrum 1 weight 0.11000E+01 volume 0.30642E-02 ppm1 8.805 ppm2 1.033 CV 1 ASSI { 719} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HA )) 4.100 2.100 1.900 peak 719 spectrum 1 weight 0.11000E+01 volume 0.77025E-03 ppm1 8.802 ppm2 4.049 CV 1 ASSI { 720} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HB2 )) 4.500 4.500 1.500 peak 720 spectrum 1 weight 0.11000E+01 volume 0.31999E-03 ppm1 8.802 ppm2 1.958 CV 1 ASSI { 721} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HG1 )) 4.900 4.900 1.100 peak 721 spectrum 1 weight 0.11000E+01 volume 0.81433E-03 ppm1 8.803 ppm2 1.500 CV 1 ASSI { 722} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HN )) 2.400 0.700 0.700 peak 722 spectrum 1 weight 0.11000E+01 volume 0.17181E-02 ppm1 8.802 ppm2 7.889 CV 1 ASSI { 723} (( segid " " and resid 183 and name HN )) ( segid " " and resid 209 and name HG1%) 3.700 1.700 1.700 peak 723 spectrum 1 weight 0.11000E+01 volume 0.22233E-02 ppm1 8.801 ppm2 0.965 CV 1 ASSI { 724} (( segid " " and resid 183 and name HN )) ( segid " " and resid 209 and name HG2%) 5.300 3.500 0.700 peak 724 spectrum 1 weight 0.11000E+01 volume 0.72328E-03 ppm1 8.803 ppm2 1.201 CV 1 ASSI { 725} (( segid " " and resid 184 and name HN )) (( segid " " and resid 181 and name HA )) 3.700 1.700 1.700 peak 725 spectrum 1 weight 0.11000E+01 volume 0.10489E-02 ppm1 7.883 ppm2 3.733 CV 1 ASSI { 726} (( segid " " and resid 184 and name HN )) (( segid " " and resid 181 and name HB )) 3.900 1.900 1.900 peak 726 spectrum 1 weight 0.11000E+01 volume 0.81921E-03 ppm1 7.883 ppm2 1.575 CV 1 ASSI { 727} (( segid " " and resid 184 and name HN )) (( segid " " and resid 182 and name HB )) 4.600 2.700 1.400 peak 727 spectrum 1 weight 0.11000E+01 volume 0.36052E-03 ppm1 7.883 ppm2 4.471 CV 1 ASSI { 728} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HA )) 3.400 1.400 1.400 peak 728 spectrum 1 weight 0.11000E+01 volume 0.78844E-03 ppm1 7.884 ppm2 3.616 CV 1 ASSI { 729} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HB )) 3.400 1.500 1.500 peak 729 spectrum 1 weight 0.11000E+01 volume 0.23270E-02 ppm1 7.882 ppm2 2.278 CV 1 ASSI { 730} (( segid " " and resid 184 and name HN )) ( segid " " and resid 183 and name HG2%) 3.100 1.200 1.200 peak 730 spectrum 1 weight 0.11000E+01 volume 0.15829E-02 ppm1 7.887 ppm2 0.950 CV 1 ASSI { 732} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HA )) 2.500 0.800 0.800 peak 732 spectrum 1 weight 0.11000E+01 volume 0.28940E-02 ppm1 7.882 ppm2 4.041 CV 1 ASSI { 733} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HB1 )) 3.200 1.300 1.300 peak 733 spectrum 1 weight 0.11000E+01 volume 0.40443E-02 ppm1 7.886 ppm2 1.931 CV 1 ASSI { 734} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HB2 )) 2.200 2.200 3.800 peak 734 spectrum 1 weight 0.11000E+01 volume 0.32766E-02 ppm1 7.885 ppm2 1.860 CV 1 ASSI { 735} (( segid " " and resid 184 and name HN )) (( segid " " and resid 185 and name HB1 )) 4.700 2.800 1.300 peak 735 spectrum 1 weight 0.11000E+01 volume 0.46709E-03 ppm1 7.883 ppm2 2.120 CV 1 OR { 735} (( segid " " and resid 184 and name HN )) (( segid " " and resid 185 and name HB2 )) ASSI { 736} (( segid " " and resid 184 and name HN )) (( segid " " and resid 185 and name HN )) 2.800 1.000 1.000 peak 736 spectrum 1 weight 0.11000E+01 volume 0.13669E-02 ppm1 7.883 ppm2 8.348 CV 1 ASSI { 738} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HD2 )) 4.500 2.500 1.500 peak 738 spectrum 1 weight 0.11000E+01 volume 0.56340E-03 ppm1 8.325 ppm2 1.651 CV 1 OR { 738} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HD1 )) ASSI { 739} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HB2 )) 2.500 0.800 0.800 peak 739 spectrum 1 weight 0.11000E+01 volume 0.29603E-02 ppm1 8.335 ppm2 1.931 CV 1 ASSI { 741} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HB2 )) 3.100 1.200 1.200 peak 741 spectrum 1 weight 0.11000E+01 volume 0.15687E-02 ppm1 8.337 ppm2 2.107 CV 1 OR { 741} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HB1 )) ASSI { 742} (( segid " " and resid 185 and name HN )) (( segid " " and resid 186 and name HB1 )) 4.600 2.600 1.400 peak 742 spectrum 1 weight 0.11000E+01 volume 0.62188E-03 ppm1 8.333 ppm2 3.332 CV 1 OR { 742} (( segid " " and resid 185 and name HN )) (( segid " " and resid 186 and name HB2 )) ASSI { 743} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HA )) 2.600 0.900 0.900 peak 743 spectrum 1 weight 0.11000E+01 volume 0.24761E-02 ppm1 8.334 ppm2 4.020 CV 1 ASSI { 744} (( segid " " and resid 187 and name HN )) ( segid " " and resid 183 and name HG1%) 4.900 4.900 1.100 peak 744 spectrum 1 weight 0.11000E+01 volume 0.41083E-03 ppm1 8.111 ppm2 0.993 CV 1 ASSI { 745} (( segid " " and resid 187 and name HN )) (( segid " " and resid 184 and name HB2 )) 5.200 3.300 0.800 peak 745 spectrum 1 weight 0.11000E+01 volume 0.22218E-03 ppm1 8.116 ppm2 1.936 CV 1 ASSI { 746} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HA )) 3.300 1.400 1.400 peak 746 spectrum 1 weight 0.11000E+01 volume 0.88939E-03 ppm1 8.117 ppm2 4.597 CV 1 ASSI { 747} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HB1 )) 3.600 1.600 1.600 peak 747 spectrum 1 weight 0.11000E+01 volume 0.11411E-02 ppm1 8.115 ppm2 3.294 CV 1 OR { 747} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HB2 )) ASSI { 748} (( segid " " and resid 187 and name HN )) ( segid " " and resid 188 and name HG1%) 3.100 1.200 1.200 peak 748 spectrum 1 weight 0.11000E+01 volume 0.16184E-02 ppm1 8.116 ppm2 1.186 CV 1 ASSI { 749} (( segid " " and resid 187 and name HN )) (( segid " " and resid 188 and name HN )) 2.500 0.800 0.800 peak 749 spectrum 1 weight 0.11000E+01 volume 0.21654E-02 ppm1 8.114 ppm2 7.986 CV 1 ASSI { 750} (( segid " " and resid 187 and name HN )) (( segid " " and resid 190 and name HA )) 4.000 4.000 2.000 peak 750 spectrum 1 weight 0.11000E+01 volume 0.18795E-02 ppm1 8.115 ppm2 4.210 CV 1 ASSI { 751} (( segid " " and resid 187 and name HN )) (( segid " " and resid 190 and name HN )) 3.700 1.700 1.700 peak 751 spectrum 1 weight 0.11000E+01 volume 0.19737E-02 ppm1 8.108 ppm2 7.999 CV 1 ASSI { 752} (( segid " " and resid 187 and name HN )) (( segid " " and resid 191 and name HA )) 3.700 3.700 2.300 peak 752 spectrum 1 weight 0.11000E+01 volume 0.16651E-02 ppm1 8.113 ppm2 4.392 CV 1 ASSI { 753} (( segid " " and resid 188 and name HN )) (( segid " " and resid 187 and name HA )) 2.800 1.000 1.000 peak 753 spectrum 1 weight 0.11000E+01 volume 0.20757E-02 ppm1 7.977 ppm2 4.209 CV 1 ASSI { 754} (( segid " " and resid 188 and name HN )) (( segid " " and resid 184 and name HG1 )) 5.400 5.400 0.600 peak 754 spectrum 1 weight 0.11000E+01 volume 0.34662E-03 ppm1 7.997 ppm2 1.448 CV 1 ASSI { 755} (( segid " " and resid 188 and name HN )) ( segid " " and resid 190 and name HG2%) 2.900 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.48473E-02 ppm1 7.979 ppm2 0.996 CV 1 ASSI { 756} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HA )) 2.500 0.800 0.800 peak 756 spectrum 1 weight 0.11000E+01 volume 0.40130E-02 ppm1 7.979 ppm2 4.016 CV 1 ASSI { 757} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HB )) 3.100 1.200 1.200 peak 757 spectrum 1 weight 0.11000E+01 volume 0.39463E-02 ppm1 7.980 ppm2 2.190 CV 1 ASSI { 758} (( segid " " and resid 188 and name HN )) ( segid " " and resid 188 and name HG1%) 3.100 1.200 1.200 peak 758 spectrum 1 weight 0.11000E+01 volume 0.10843E-02 ppm1 7.980 ppm2 1.188 CV 1 ASSI { 759} (( segid " " and resid 188 and name HN )) (( segid " " and resid 191 and name HA )) 3.600 1.600 1.600 peak 759 spectrum 1 weight 0.11000E+01 volume 0.18379E-02 ppm1 7.977 ppm2 4.389 CV 1 ASSI { 761} (( segid " " and resid 189 and name HN )) (( segid " " and resid 186 and name HA )) 4.200 2.200 1.800 peak 761 spectrum 1 weight 0.11000E+01 volume 0.62664E-03 ppm1 8.108 ppm2 4.612 CV 1 ASSI { 762} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HA )) 2.900 1.000 1.000 peak 762 spectrum 1 weight 0.11000E+01 volume 0.34293E-02 ppm1 8.103 ppm2 4.017 CV 1 ASSI { 763} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HB )) 3.500 1.500 1.500 peak 763 spectrum 1 weight 0.11000E+01 volume 0.24699E-02 ppm1 8.104 ppm2 2.199 CV 1 ASSI { 764} (( segid " " and resid 189 and name HN )) (( segid " " and resid 190 and name HA )) 3.200 3.200 2.800 peak 764 spectrum 1 weight 0.11000E+01 volume 0.42819E-02 ppm1 8.104 ppm2 4.233 CV 1 ASSI { 765} (( segid " " and resid 189 and name HN )) ( segid " " and resid 190 and name HG2%) 3.800 1.800 1.800 peak 765 spectrum 1 weight 0.11000E+01 volume 0.18285E-02 ppm1 8.103 ppm2 0.973 CV 1 ASSI { 766} (( segid " " and resid 189 and name HN )) ( segid " " and resid 192 and name HG2%) 3.600 3.600 2.400 peak 766 spectrum 1 weight 0.11000E+01 volume 0.22223E-02 ppm1 8.104 ppm2 1.247 CV 1 ASSI { 768} (( segid " " and resid 190 and name HN )) (( segid " " and resid 186 and name HA )) 4.300 2.300 1.700 peak 768 spectrum 1 weight 0.11000E+01 volume 0.50576E-03 ppm1 7.993 ppm2 4.603 CV 1 ASSI { 769} (( segid " " and resid 190 and name HN )) ( segid " " and resid 189 and name HG2%) 3.500 1.600 1.600 peak 769 spectrum 1 weight 0.11000E+01 volume 0.16799E-02 ppm1 7.995 ppm2 1.254 CV 1 ASSI { 770} (( segid " " and resid 190 and name HN )) (( segid " " and resid 189 and name HN )) 2.200 0.600 0.600 peak 770 spectrum 1 weight 0.11000E+01 volume 0.49997E-02 ppm1 7.996 ppm2 8.110 CV 1 ASSI { 771} (( segid " " and resid 190 and name HN )) (( segid " " and resid 190 and name HA )) 2.200 0.600 0.600 peak 771 spectrum 1 weight 0.11000E+01 volume 0.88911E-02 ppm1 7.994 ppm2 4.212 CV 1 ASSI { 772} (( segid " " and resid 190 and name HN )) ( segid " " and resid 190 and name HG2%) 2.900 1.100 1.100 peak 772 spectrum 1 weight 0.11000E+01 volume 0.35796E-02 ppm1 7.994 ppm2 0.990 CV 1 ASSI { 773} (( segid " " and resid 191 and name HN )) ( segid " " and resid 192 and name HG2%) 3.400 1.400 1.400 peak 773 spectrum 1 weight 0.11000E+01 volume 0.26120E-02 ppm1 8.149 ppm2 1.261 CV 1 ASSI { 778} (( segid " " and resid 191 and name HN )) (( segid " " and resid 188 and name HA )) 4.000 2.000 2.000 peak 778 spectrum 1 weight 0.11000E+01 volume 0.41666E-03 ppm1 8.153 ppm2 4.017 CV 1 ASSI { 779} (( segid " " and resid 191 and name HN )) (( segid " " and resid 190 and name HA )) 2.800 1.000 1.000 peak 779 spectrum 1 weight 0.11000E+01 volume 0.43142E-02 ppm1 8.150 ppm2 4.190 CV 1 ASSI { 780} (( segid " " and resid 191 and name HN )) ( segid " " and resid 190 and name HG2%) 3.300 1.400 1.400 peak 780 spectrum 1 weight 0.11000E+01 volume 0.11205E-02 ppm1 8.149 ppm2 0.991 CV 1 ASSI { 781} (( segid " " and resid 191 and name HN )) (( segid " " and resid 191 and name HA )) 2.300 0.700 0.700 peak 781 spectrum 1 weight 0.11000E+01 volume 0.59430E-02 ppm1 8.149 ppm2 4.365 CV 1 ASSI { 784} (( segid " " and resid 192 and name HN )) ( segid " " and resid 190 and name HG2%) 4.200 2.300 1.800 peak 784 spectrum 1 weight 0.11000E+01 volume 0.45275E-03 ppm1 7.990 ppm2 0.982 CV 1 ASSI { 785} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HA )) 2.500 2.500 3.500 peak 785 spectrum 1 weight 0.11000E+01 volume 0.55150E-02 ppm1 7.990 ppm2 4.358 CV 1 ASSI { 786} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HN )) 2.400 0.700 0.700 peak 786 spectrum 1 weight 0.11000E+01 volume 0.39208E-02 ppm1 7.988 ppm2 8.142 CV 1 ASSI { 787} (( segid " " and resid 192 and name HN )) ( segid " " and resid 192 and name HG2%) 2.700 0.900 0.900 peak 787 spectrum 1 weight 0.11000E+01 volume 0.36624E-02 ppm1 7.990 ppm2 1.261 CV 1 ASSI { 788} (( segid " " and resid 192 and name HN )) (( segid " " and resid 193 and name HD2 )) 5.100 3.200 0.900 peak 788 spectrum 1 weight 0.11000E+01 volume 0.25466E-03 ppm1 7.985 ppm2 1.685 CV 1 OR { 788} (( segid " " and resid 192 and name HN )) (( segid " " and resid 193 and name HD1 )) ASSI { 789} (( segid " " and resid 192 and name HN )) (( segid " " and resid 193 and name HN )) 2.600 0.900 0.900 peak 789 spectrum 1 weight 0.11000E+01 volume 0.30456E-02 ppm1 7.989 ppm2 7.844 CV 1 ASSI { 790} (( segid " " and resid 193 and name HN )) (( segid " " and resid 191 and name HN )) 2.800 2.800 3.200 peak 790 spectrum 1 weight 0.11000E+01 volume 0.34436E-02 ppm1 7.858 ppm2 8.115 CV 1 ASSI { 791} (( segid " " and resid 193 and name HN )) (( segid " " and resid 190 and name HA )) 2.800 1.000 1.000 peak 791 spectrum 1 weight 0.11000E+01 volume 0.33222E-02 ppm1 7.859 ppm2 4.241 CV 1 ASSI { 792} (( segid " " and resid 193 and name HN )) (( segid " " and resid 190 and name HN )) 3.500 3.500 2.500 peak 792 spectrum 1 weight 0.11000E+01 volume 0.20736E-02 ppm1 7.856 ppm2 8.029 CV 1 ASSI { 793} (( segid " " and resid 193 and name HN )) (( segid " " and resid 191 and name HB )) 3.300 3.300 2.700 peak 793 spectrum 1 weight 0.11000E+01 volume 0.29253E-02 ppm1 7.856 ppm2 4.316 CV 1 ASSI { 794} (( segid " " and resid 193 and name HN )) ( segid " " and resid 192 and name HG2%) 3.400 1.400 1.400 peak 794 spectrum 1 weight 0.11000E+01 volume 0.96087E-03 ppm1 7.859 ppm2 1.254 CV 1 ASSI { 795} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HB2 )) 3.600 1.600 1.600 peak 795 spectrum 1 weight 0.11000E+01 volume 0.22429E-02 ppm1 7.857 ppm2 1.802 CV 1 ASSI { 796} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HG1 )) 3.900 1.900 1.900 peak 796 spectrum 1 weight 0.11000E+01 volume 0.14521E-02 ppm1 7.858 ppm2 1.476 CV 1 ASSI { 797} (( segid " " and resid 193 and name HN )) (( segid " " and resid 195 and name HG2 )) 4.000 4.000 2.000 peak 797 spectrum 1 weight 0.11000E+01 volume 0.96357E-03 ppm1 7.852 ppm2 1.903 CV 1 ASSI { 798} (( segid " " and resid 194 and name HN )) (( segid " " and resid 193 and name HD2 )) 4.700 2.800 1.300 peak 798 spectrum 1 weight 0.11000E+01 volume 0.14013E-03 ppm1 8.096 ppm2 1.703 CV 1 OR { 798} (( segid " " and resid 194 and name HN )) (( segid " " and resid 193 and name HD1 )) ASSI { 799} (( segid " " and resid 194 and name HN )) (( segid " " and resid 191 and name HB )) 3.400 3.400 2.600 peak 799 spectrum 1 weight 0.11000E+01 volume 0.30746E-02 ppm1 8.100 ppm2 4.329 CV 1 ASSI { 800} (( segid " " and resid 194 and name HN )) ( segid " " and resid 192 and name HG2%) 4.900 3.000 1.100 peak 800 spectrum 1 weight 0.11000E+01 volume 0.30007E-03 ppm1 8.106 ppm2 1.261 CV 1 ASSI { 801} (( segid " " and resid 194 and name HN )) (( segid " " and resid 193 and name HB2 )) 4.500 2.500 1.500 peak 801 spectrum 1 weight 0.11000E+01 volume 0.59370E-03 ppm1 8.104 ppm2 1.803 CV 1 ASSI { 802} (( segid " " and resid 194 and name HN )) (( segid " " and resid 193 and name HG1 )) 4.600 2.600 1.400 peak 802 spectrum 1 weight 0.11000E+01 volume 0.40970E-03 ppm1 8.097 ppm2 1.460 CV 1 ASSI { 803} (( segid " " and resid 194 and name HN )) (( segid " " and resid 193 and name HN )) 2.600 0.800 0.800 peak 803 spectrum 1 weight 0.11000E+01 volume 0.27108E-02 ppm1 8.100 ppm2 7.844 CV 1 ASSI { 804} (( segid " " and resid 194 and name HN )) (( segid " " and resid 194 and name HA1 )) 2.900 1.100 1.100 peak 804 spectrum 1 weight 0.11000E+01 volume 0.35002E-02 ppm1 8.100 ppm2 4.060 CV 1 ASSI { 805} (( segid " " and resid 194 and name HN )) (( segid " " and resid 194 and name HA2 )) 2.500 0.800 0.800 peak 805 spectrum 1 weight 0.11000E+01 volume 0.44656E-02 ppm1 8.101 ppm2 3.837 CV 1 ASSI { 806} (( segid " " and resid 194 and name HN )) (( segid " " and resid 195 and name HG2 )) 5.300 3.500 0.700 peak 806 spectrum 1 weight 0.11000E+01 volume 0.46303E-03 ppm1 8.103 ppm2 1.942 CV 1 ASSI { 807} (( segid " " and resid 194 and name HN )) (( segid " " and resid 195 and name HN )) 2.400 0.700 0.700 peak 807 spectrum 1 weight 0.11000E+01 volume 0.26221E-02 ppm1 8.099 ppm2 7.726 CV 1 ASSI { 808} (( segid " " and resid 195 and name HN )) ( segid " " and resid 190 and name HG2%) 4.200 2.200 1.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.53105E-03 ppm1 7.749 ppm2 0.988 CV 1 ASSI { 809} (( segid " " and resid 195 and name HN )) (( segid " " and resid 192 and name HB )) 2.200 2.200 3.800 peak 809 spectrum 1 weight 0.11000E+01 volume 0.12593E-02 ppm1 7.747 ppm2 4.335 CV 1 ASSI { 810} (( segid " " and resid 195 and name HN )) ( segid " " and resid 191 and name HG2%) 4.400 4.400 1.600 peak 810 spectrum 1 weight 0.11000E+01 volume 0.24864E-03 ppm1 7.744 ppm2 1.255 CV 1 ASSI { 811} (( segid " " and resid 195 and name HN )) (( segid " " and resid 193 and name HD2 )) 2.600 0.900 0.900 peak 811 spectrum 1 weight 0.11000E+01 volume 0.46549E-02 ppm1 7.749 ppm2 1.710 CV 1 OR { 811} (( segid " " and resid 195 and name HN )) (( segid " " and resid 193 and name HD1 )) ASSI { 812} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HA1 )) 3.800 1.900 1.900 peak 812 spectrum 1 weight 0.11000E+01 volume 0.12929E-02 ppm1 7.751 ppm2 4.075 CV 1 ASSI { 813} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HA2 )) 3.300 1.300 1.300 peak 813 spectrum 1 weight 0.11000E+01 volume 0.16013E-02 ppm1 7.750 ppm2 3.834 CV 1 ASSI { 815} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HA )) 2.700 0.900 0.900 peak 815 spectrum 1 weight 0.11000E+01 volume 0.27082E-02 ppm1 7.750 ppm2 4.257 CV 1 ASSI { 816} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HG2 )) 4.400 2.400 1.600 peak 816 spectrum 1 weight 0.11000E+01 volume 0.52082E-03 ppm1 7.747 ppm2 1.909 CV 1 ASSI { 818} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HG1 )) 3.600 1.600 1.600 peak 818 spectrum 1 weight 0.10000E+01 volume 0.16597E-02 ppm1 7.750 ppm2 2.112 CV 1 ASSI { 819} (( segid " " and resid 196 and name HN )) (( segid " " and resid 193 and name HD2 )) 1.900 1.900 4.100 peak 819 spectrum 1 weight 0.11000E+01 volume 0.39115E-02 ppm1 8.435 ppm2 1.712 CV 1 OR { 819} (( segid " " and resid 196 and name HN )) (( segid " " and resid 193 and name HD1 )) ASSI { 820} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HA )) 2.200 0.600 0.600 peak 820 spectrum 1 weight 0.11000E+01 volume 0.11063E-01 ppm1 8.434 ppm2 4.257 CV 1 ASSI { 821} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HN )) 3.800 1.800 1.800 peak 821 spectrum 1 weight 0.11000E+01 volume 0.12683E-02 ppm1 8.435 ppm2 7.748 CV 1 ASSI { 822} (( segid " " and resid 196 and name HN )) (( segid " " and resid 196 and name HA )) 3.200 1.300 1.300 peak 822 spectrum 1 weight 0.11000E+01 volume 0.12078E-02 ppm1 8.434 ppm2 4.669 CV 1 ASSI { 823} (( segid " " and resid 196 and name HN )) (( segid " " and resid 196 and name HB1 )) 3.200 1.200 1.200 peak 823 spectrum 1 weight 0.11000E+01 volume 0.38275E-02 ppm1 8.434 ppm2 2.643 CV 1 ASSI { 824} (( segid " " and resid 196 and name HN )) (( segid " " and resid 197 and name HB2 )) 4.600 2.600 1.400 peak 824 spectrum 1 weight 0.11000E+01 volume 0.42816E-03 ppm1 8.429 ppm2 2.955 CV 1 ASSI { 825} (( segid " " and resid 196 and name HN )) ( segid " " and resid 197 and name HD% ) 4.500 4.500 1.500 peak 825 spectrum 1 weight 0.11000E+01 volume 0.36017E-03 ppm1 8.437 ppm2 7.337 CV 1 ASSI { 826} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HG1 )) 3.000 1.100 1.100 peak 826 spectrum 1 weight 0.10000E+01 volume 0.20857E-02 ppm1 8.434 ppm2 2.109 CV 1 ASSI { 827} (( segid " " and resid 197 and name HN )) (( segid " " and resid 202 and name HG12)) 4.600 2.700 1.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.37717E-03 ppm1 8.552 ppm2 1.245 CV 1 ASSI { 828} (( segid " " and resid 197 and name HN )) (( segid " " and resid 196 and name HA )) 2.200 0.600 0.600 peak 828 spectrum 1 weight 0.11000E+01 volume 0.90668E-02 ppm1 8.556 ppm2 4.674 CV 1 ASSI { 829} (( segid " " and resid 197 and name HN )) (( segid " " and resid 196 and name HB1 )) 3.100 1.200 1.200 peak 829 spectrum 1 weight 0.11000E+01 volume 0.18561E-02 ppm1 8.556 ppm2 2.664 CV 1 ASSI { 830} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HA )) 2.900 2.900 3.100 peak 830 spectrum 1 weight 0.11000E+01 volume 0.17842E-02 ppm1 8.557 ppm2 5.177 CV 1 ASSI { 831} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HB1 )) 2.900 1.100 1.100 peak 831 spectrum 1 weight 0.11000E+01 volume 0.21879E-02 ppm1 8.555 ppm2 3.183 CV 1 ASSI { 832} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HB2 )) 2.800 0.900 0.900 peak 832 spectrum 1 weight 0.11000E+01 volume 0.42651E-02 ppm1 8.555 ppm2 2.977 CV 1 ASSI { 833} (( segid " " and resid 197 and name HN )) ( segid " " and resid 197 and name HD% ) 2.900 2.900 3.100 peak 833 spectrum 1 weight 0.11000E+01 volume 0.17388E-02 ppm1 8.556 ppm2 7.326 CV 1 ASSI { 834} (( segid " " and resid 197 and name HN )) (( segid " " and resid 198 and name HB )) 4.000 2.000 2.000 peak 834 spectrum 1 weight 0.11000E+01 volume 0.64619E-03 ppm1 8.542 ppm2 4.787 CV 1 ASSI { 835} (( segid " " and resid 197 and name HN )) ( segid " " and resid 198 and name HG2%) 5.400 3.600 0.600 peak 835 spectrum 1 weight 0.11000E+01 volume 0.29403E-03 ppm1 8.561 ppm2 1.420 CV 1 ASSI { 836} (( segid " " and resid 197 and name HN )) (( segid " " and resid 198 and name HN )) 4.200 2.200 1.800 peak 836 spectrum 1 weight 0.11000E+01 volume 0.57297E-03 ppm1 8.555 ppm2 9.539 CV 1 ASSI { 838} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HA )) 2.400 2.400 3.600 peak 838 spectrum 1 weight 0.11000E+01 volume 0.29290E-02 ppm1 9.542 ppm2 5.177 CV 1 ASSI { 839} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HB1 )) 3.500 3.500 2.500 peak 839 spectrum 1 weight 0.11000E+01 volume 0.15666E-02 ppm1 9.544 ppm2 3.254 CV 1 ASSI { 840} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HB2 )) 3.900 1.900 1.900 peak 840 spectrum 1 weight 0.11000E+01 volume 0.46147E-03 ppm1 9.547 ppm2 2.994 CV 1 ASSI { 841} (( segid " " and resid 198 and name HN )) ( segid " " and resid 197 and name HD% ) 3.600 1.600 1.600 peak 841 spectrum 1 weight 0.11000E+01 volume 0.75438E-03 ppm1 9.544 ppm2 7.326 CV 1 ASSI { 844} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HA )) 3.000 1.200 1.200 peak 844 spectrum 1 weight 0.11000E+01 volume 0.94823E-03 ppm1 9.542 ppm2 4.602 CV 1 ASSI { 845} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HB )) 3.700 1.700 1.700 peak 845 spectrum 1 weight 0.11000E+01 volume 0.48248E-03 ppm1 9.544 ppm2 4.773 CV 1 ASSI { 846} (( segid " " and resid 198 and name HN )) ( segid " " and resid 198 and name HG2%) 2.500 0.800 0.800 peak 846 spectrum 1 weight 0.11000E+01 volume 0.25043E-02 ppm1 9.543 ppm2 1.408 CV 1 ASSI { 847} (( segid " " and resid 198 and name HN )) (( segid " " and resid 202 and name HN )) 4.600 2.600 1.400 peak 847 spectrum 1 weight 0.11000E+01 volume 0.25085E-03 ppm1 9.543 ppm2 8.073 CV 1 ASSI { 848} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HA )) 2.500 0.800 0.800 peak 848 spectrum 1 weight 0.11000E+01 volume 0.49979E-02 ppm1 9.055 ppm2 4.605 CV 1 ASSI { 849} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HB )) 3.200 1.300 1.300 peak 849 spectrum 1 weight 0.11000E+01 volume 0.43644E-02 ppm1 9.054 ppm2 4.793 CV 1 ASSI { 850} (( segid " " and resid 199 and name HN )) ( segid " " and resid 198 and name HG2%) 3.700 1.700 1.700 peak 850 spectrum 1 weight 0.11000E+01 volume 0.15092E-02 ppm1 9.056 ppm2 1.407 CV 1 ASSI { 851} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HN )) 4.500 2.600 1.500 peak 851 spectrum 1 weight 0.11000E+01 volume 0.30441E-03 ppm1 9.048 ppm2 9.514 CV 1 ASSI { 852} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HA )) 2.800 1.000 1.000 peak 852 spectrum 1 weight 0.11000E+01 volume 0.25330E-02 ppm1 9.054 ppm2 4.042 CV 1 ASSI { 853} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HB2 )) 2.400 0.700 0.700 peak 853 spectrum 1 weight 0.11000E+01 volume 0.44927E-02 ppm1 9.056 ppm2 2.095 CV 1 ASSI { 854} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HG2 )) 4.400 2.400 1.600 peak 854 spectrum 1 weight 0.11000E+01 volume 0.13498E-02 ppm1 9.055 ppm2 2.377 CV 1 ASSI { 855} (( segid " " and resid 199 and name HN )) (( segid " " and resid 200 and name HA )) 4.500 2.500 1.500 peak 855 spectrum 1 weight 0.11000E+01 volume 0.41544E-03 ppm1 9.053 ppm2 3.724 CV 1 ASSI { 856} (( segid " " and resid 199 and name HN )) (( segid " " and resid 200 and name HN )) 2.800 1.000 1.000 peak 856 spectrum 1 weight 0.11000E+01 volume 0.20120E-02 ppm1 9.055 ppm2 7.914 CV 1 ASSI { 857} (( segid " " and resid 199 and name HN )) (( segid " " and resid 201 and name HN )) 4.500 2.600 1.500 peak 857 spectrum 1 weight 0.11000E+01 volume 0.39503E-03 ppm1 9.055 ppm2 7.489 CV 1 ASSI { 858} (( segid " " and resid 199 and name HN )) ( segid " " and resid 202 and name HD1%) 4.900 4.900 1.100 peak 858 spectrum 1 weight 0.11000E+01 volume 0.35937E-03 ppm1 9.048 ppm2 0.761 CV 1 ASSI { 859} (( segid " " and resid 200 and name HN )) (( segid " " and resid 198 and name HA )) 4.000 2.000 2.000 peak 859 spectrum 1 weight 0.11000E+01 volume 0.72704E-03 ppm1 7.919 ppm2 4.605 CV 1 ASSI { 860} (( segid " " and resid 200 and name HN )) (( segid " " and resid 198 and name HB )) 3.700 1.700 1.700 peak 860 spectrum 1 weight 0.11000E+01 volume 0.24594E-02 ppm1 7.917 ppm2 4.770 CV 1 ASSI { 861} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HB1 )) 2.800 1.000 1.000 peak 861 spectrum 1 weight 0.11000E+01 volume 0.20103E-02 ppm1 7.913 ppm2 2.082 CV 1 ASSI { 862} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HG2 )) 4.300 2.300 1.700 peak 862 spectrum 1 weight 0.11000E+01 volume 0.44872E-03 ppm1 7.923 ppm2 2.377 CV 1 ASSI { 864} (( segid " " and resid 200 and name HN )) (( segid " " and resid 200 and name HA )) 2.200 0.600 0.600 peak 864 spectrum 1 weight 0.11000E+01 volume 0.54385E-02 ppm1 7.917 ppm2 3.724 CV 1 ASSI { 865} (( segid " " and resid 200 and name HN )) ( segid " " and resid 200 and name HG2%) 4.000 2.000 2.000 peak 865 spectrum 1 weight 0.11000E+01 volume 0.12914E-02 ppm1 7.915 ppm2 0.631 CV 1 ASSI { 866} (( segid " " and resid 200 and name HN )) (( segid " " and resid 201 and name HN )) 2.400 0.700 0.700 peak 866 spectrum 1 weight 0.11000E+01 volume 0.30311E-02 ppm1 7.917 ppm2 7.482 CV 1 ASSI { 867} (( segid " " and resid 200 and name HN )) (( segid " " and resid 203 and name HA )) 4.200 4.200 1.800 peak 867 spectrum 1 weight 0.11000E+01 volume 0.11175E-02 ppm1 7.917 ppm2 4.048 CV 1 ASSI { 868} (( segid " " and resid 200 and name HN )) (( segid " " and resid 203 and name HG2 )) 4.300 4.300 1.700 peak 868 spectrum 1 weight 0.11000E+01 volume 0.66075E-03 ppm1 7.919 ppm2 1.406 CV 1 ASSI { 870} (( segid " " and resid 201 and name HN )) (( segid " " and resid 197 and name HA )) 5.700 5.700 0.300 peak 870 spectrum 1 weight 0.11000E+01 volume 0.29311E-03 ppm1 7.476 ppm2 5.179 CV 1 ASSI { 871} (( segid " " and resid 201 and name HN )) (( segid " " and resid 198 and name HB )) 4.400 2.500 1.600 peak 871 spectrum 1 weight 0.11000E+01 volume 0.12412E-02 ppm1 7.483 ppm2 4.762 CV 1 ASSI { 872} (( segid " " and resid 201 and name HN )) (( segid " " and resid 198 and name HN )) 3.300 1.400 1.400 peak 872 spectrum 1 weight 0.11000E+01 volume 0.86653E-03 ppm1 7.479 ppm2 9.539 CV 1 ASSI { 874} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HA )) 2.700 2.700 3.300 peak 874 spectrum 1 weight 0.11000E+01 volume 0.27965E-02 ppm1 7.480 ppm2 3.716 CV 1 ASSI { 876} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HA )) 2.600 0.800 0.800 peak 876 spectrum 1 weight 0.11000E+01 volume 0.15814E-02 ppm1 7.481 ppm2 4.489 CV 1 ASSI { 877} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HB2 )) 2.600 2.600 3.400 peak 877 spectrum 1 weight 0.11000E+01 volume 0.14634E-02 ppm1 7.481 ppm2 2.489 CV 1 ASSI { 878} (( segid " " and resid 201 and name HN )) (( segid " " and resid 202 and name HB )) 4.100 2.100 1.900 peak 878 spectrum 1 weight 0.11000E+01 volume 0.58616E-03 ppm1 7.480 ppm2 1.925 CV 1 ASSI { 879} (( segid " " and resid 201 and name HN )) (( segid " " and resid 202 and name HG12)) 5.300 3.500 0.700 peak 879 spectrum 1 weight 0.11000E+01 volume 0.32892E-03 ppm1 7.482 ppm2 1.244 CV 1 ASSI { 880} (( segid " " and resid 201 and name HN )) (( segid " " and resid 202 and name HN )) 2.300 0.600 0.600 peak 880 spectrum 1 weight 0.11000E+01 volume 0.21558E-02 ppm1 7.482 ppm2 8.084 CV 1 ASSI { 881} (( segid " " and resid 201 and name HN )) (( segid " " and resid 203 and name HA )) 4.800 4.800 1.200 peak 881 spectrum 1 weight 0.11000E+01 volume 0.52659E-03 ppm1 7.485 ppm2 4.030 CV 1 ASSI { 882} (( segid " " and resid 201 and name HN )) (( segid " " and resid 203 and name HD1 )) 5.100 3.300 0.900 peak 882 spectrum 1 weight 0.11000E+01 volume 0.30854E-03 ppm1 7.485 ppm2 1.597 CV 1 OR { 882} (( segid " " and resid 201 and name HN )) (( segid " " and resid 203 and name HD2 )) ASSI { 883} (( segid " " and resid 201 and name HN )) (( segid " " and resid 203 and name HG2 )) 4.100 2.100 1.900 peak 883 spectrum 1 weight 0.11000E+01 volume 0.42631E-03 ppm1 7.472 ppm2 1.407 CV 1 ASSI { 884} (( segid " " and resid 201 and name HN )) (( segid " " and resid 204 and name HB )) 4.000 2.000 2.000 peak 884 spectrum 1 weight 0.11000E+01 volume 0.58616E-03 ppm1 7.481 ppm2 1.945 CV 1 ASSI { 885} (( segid " " and resid 201 and name HN )) ( segid " " and resid 204 and name HD1%) 3.800 1.800 1.800 peak 885 spectrum 1 weight 0.11000E+01 volume 0.11712E-02 ppm1 7.480 ppm2 0.638 CV 1 ASSI { 889} (( segid " " and resid 202 and name HN )) (( segid " " and resid 200 and name HA )) 4.200 2.200 1.800 peak 889 spectrum 1 weight 0.11000E+01 volume 0.34701E-03 ppm1 8.083 ppm2 3.727 CV 1 ASSI { 890} (( segid " " and resid 202 and name HN )) (( segid " " and resid 201 and name HA )) 3.500 1.500 1.500 peak 890 spectrum 1 weight 0.11000E+01 volume 0.44871E-03 ppm1 8.079 ppm2 4.503 CV 1 ASSI { 891} (( segid " " and resid 202 and name HN )) (( segid " " and resid 201 and name HB2 )) 2.900 2.900 3.100 peak 891 spectrum 1 weight 0.11000E+01 volume 0.14506E-02 ppm1 8.068 ppm2 2.485 CV 1 ASSI { 892} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HG12)) 4.100 2.100 1.900 peak 892 spectrum 1 weight 0.11000E+01 volume 0.14926E-02 ppm1 8.080 ppm2 1.249 CV 1 ASSI { 893} (( segid " " and resid 202 and name HN )) (( segid " " and resid 203 and name HN )) 2.000 0.500 0.500 peak 893 spectrum 1 weight 0.11000E+01 volume 0.58130E-02 ppm1 8.070 ppm2 7.729 CV 1 ASSI { 894} (( segid " " and resid 202 and name HN )) ( segid " " and resid 204 and name HG2%) 4.300 2.300 1.700 peak 894 spectrum 1 weight 0.11000E+01 volume 0.10642E-02 ppm1 8.082 ppm2 0.831 CV 1 ASSI { 895} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HA )) 2.700 0.900 0.900 peak 895 spectrum 1 weight 0.10000E+01 volume 0.16510E-02 ppm1 8.080 ppm2 3.465 CV 1 ASSI { 897} (( segid " " and resid 203 and name HN )) ( segid " " and resid 202 and name HG2%) 3.000 1.100 1.100 peak 897 spectrum 1 weight 0.10000E+01 volume 0.11010E-02 ppm1 7.739 ppm2 0.842 CV 1 ASSI { 898} (( segid " " and resid 203 and name HN )) (( segid " " and resid 200 and name HA )) 3.000 1.100 1.100 peak 898 spectrum 1 weight 0.11000E+01 volume 0.10180E-02 ppm1 7.749 ppm2 3.753 CV 1 ASSI { 899} (( segid " " and resid 203 and name HN )) (( segid " " and resid 201 and name HN )) 3.800 1.800 1.800 peak 899 spectrum 1 weight 0.11000E+01 volume 0.73135E-03 ppm1 7.747 ppm2 7.482 CV 1 ASSI { 901} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HA )) 2.600 0.800 0.800 peak 901 spectrum 1 weight 0.11000E+01 volume 0.29543E-02 ppm1 7.749 ppm2 4.007 CV 1 ASSI { 902} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HD2 )) 3.800 1.800 1.800 peak 902 spectrum 1 weight 0.11000E+01 volume 0.17190E-02 ppm1 7.745 ppm2 1.631 CV 1 OR { 902} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HD1 )) ASSI { 903} (( segid " " and resid 203 and name HN )) (( segid " " and resid 204 and name HN )) 2.500 0.800 0.800 peak 903 spectrum 1 weight 0.11000E+01 volume 0.20201E-02 ppm1 7.745 ppm2 7.968 CV 1 ASSI { 904} (( segid " " and resid 203 and name HN )) (( segid " " and resid 202 and name HA )) 3.300 1.400 1.400 peak 904 spectrum 1 weight 0.10000E+01 volume 0.84019E-03 ppm1 7.747 ppm2 3.465 CV 1 ASSI { 907} (( segid " " and resid 204 and name HN )) (( segid " " and resid 200 and name HA )) 4.400 2.500 1.600 peak 907 spectrum 1 weight 0.11000E+01 volume 0.42180E-03 ppm1 7.963 ppm2 3.751 CV 1 ASSI { 908} (( segid " " and resid 204 and name HN )) (( segid " " and resid 201 and name HA )) 3.900 1.900 1.900 peak 908 spectrum 1 weight 0.11000E+01 volume 0.59588E-03 ppm1 7.973 ppm2 4.487 CV 1 ASSI { 909} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HA )) 3.400 1.500 1.500 peak 909 spectrum 1 weight 0.11000E+01 volume 0.72139E-03 ppm1 7.979 ppm2 4.025 CV 1 ASSI { 910} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HG1 )) 2.900 1.100 1.100 peak 910 spectrum 1 weight 0.11000E+01 volume 0.23190E-02 ppm1 7.977 ppm2 1.546 CV 1 ASSI { 912} (( segid " " and resid 204 and name HN )) (( segid " " and resid 205 and name HG1 )) 4.600 4.600 1.400 peak 912 spectrum 1 weight 0.11000E+01 volume 0.72305E-03 ppm1 7.984 ppm2 2.014 CV 1 ASSI { 913} (( segid " " and resid 204 and name HN )) (( segid " " and resid 205 and name HN )) 2.800 1.000 1.000 peak 913 spectrum 1 weight 0.11000E+01 volume 0.20940E-02 ppm1 7.977 ppm2 8.817 CV 1 ASSI { 914} (( segid " " and resid 204 and name HN )) (( segid " " and resid 206 and name HA )) 3.800 3.800 2.200 peak 914 spectrum 1 weight 0.11000E+01 volume 0.15047E-02 ppm1 7.978 ppm2 3.589 CV 1 ASSI { 915} (( segid " " and resid 204 and name HN )) (( segid " " and resid 207 and name HB1 )) 2.900 2.900 3.100 peak 915 spectrum 1 weight 0.11000E+01 volume 0.46470E-02 ppm1 7.976 ppm2 1.873 CV 1 ASSI { 916} (( segid " " and resid 205 and name HN )) (( segid " " and resid 201 and name HA )) 4.800 2.900 1.200 peak 916 spectrum 1 weight 0.11000E+01 volume 0.42044E-03 ppm1 8.822 ppm2 4.491 CV 1 ASSI { 917} (( segid " " and resid 205 and name HN )) (( segid " " and resid 203 and name HA )) 4.300 2.300 1.700 peak 917 spectrum 1 weight 0.11000E+01 volume 0.38353E-03 ppm1 8.825 ppm2 4.012 CV 1 ASSI { 918} (( segid " " and resid 205 and name HN )) (( segid " " and resid 203 and name HG1 )) 4.400 2.400 1.600 peak 918 spectrum 1 weight 0.11000E+01 volume 0.59601E-03 ppm1 8.818 ppm2 1.566 CV 1 ASSI { 919} (( segid " " and resid 205 and name HN )) ( segid " " and resid 204 and name HD1%) 4.200 2.200 1.800 peak 919 spectrum 1 weight 0.11000E+01 volume 0.13542E-02 ppm1 8.820 ppm2 0.668 CV 1 ASSI { 921} (( segid " " and resid 205 and name HN )) (( segid " " and resid 205 and name HA )) 2.500 0.800 0.800 peak 921 spectrum 1 weight 0.11000E+01 volume 0.27832E-02 ppm1 8.818 ppm2 3.464 CV 1 ASSI { 922} (( segid " " and resid 205 and name HN )) (( segid " " and resid 205 and name HB1 )) 2.900 1.100 1.100 peak 922 spectrum 1 weight 0.11000E+01 volume 0.38912E-02 ppm1 8.817 ppm2 1.997 CV 1 ASSI { 923} (( segid " " and resid 205 and name HN )) (( segid " " and resid 206 and name HN )) 2.600 0.800 0.800 peak 923 spectrum 1 weight 0.11000E+01 volume 0.18183E-02 ppm1 8.821 ppm2 8.475 CV 1 ASSI { 924} (( segid " " and resid 205 and name HN )) (( segid " " and resid 207 and name HB1 )) 3.500 3.500 2.500 peak 924 spectrum 1 weight 0.11000E+01 volume 0.28245E-02 ppm1 8.821 ppm2 1.882 CV 1 ASSI { 925} (( segid " " and resid 205 and name HN )) (( segid " " and resid 209 and name HB )) 4.500 2.500 1.500 peak 925 spectrum 1 weight 0.11000E+01 volume 0.46523E-03 ppm1 8.810 ppm2 2.153 CV 1 ASSI { 926} (( segid " " and resid 205 and name HN )) ( segid " " and resid 209 and name HG1%) 4.800 4.800 1.200 peak 926 spectrum 1 weight 0.11000E+01 volume 0.58651E-03 ppm1 8.821 ppm2 0.977 CV 1 ASSI { 928} (( segid " " and resid 206 and name HN )) (( segid " " and resid 203 and name HA )) 3.600 1.600 1.600 peak 928 spectrum 1 weight 0.11000E+01 volume 0.78169E-03 ppm1 8.504 ppm2 4.023 CV 1 ASSI { 929} (( segid " " and resid 206 and name HN )) (( segid " " and resid 203 and name HG1 )) 4.500 2.500 1.500 peak 929 spectrum 1 weight 0.11000E+01 volume 0.30782E-03 ppm1 8.502 ppm2 1.591 CV 1 ASSI { 930} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HA )) 3.100 1.200 1.200 peak 930 spectrum 1 weight 0.11000E+01 volume 0.10366E-02 ppm1 8.506 ppm2 3.466 CV 1 ASSI { 931} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HB1 )) 2.600 2.600 3.400 peak 931 spectrum 1 weight 0.11000E+01 volume 0.37203E-02 ppm1 8.505 ppm2 2.003 CV 1 ASSI { 933} (( segid " " and resid 206 and name HN )) (( segid " " and resid 206 and name HB1 )) 3.200 1.300 1.300 peak 933 spectrum 1 weight 0.11000E+01 volume 0.41047E-02 ppm1 8.506 ppm2 2.208 CV 1 ASSI { 934} (( segid " " and resid 206 and name HN )) (( segid " " and resid 206 and name HG1 )) 2.700 0.900 0.900 peak 934 spectrum 1 weight 0.11000E+01 volume 0.22035E-02 ppm1 8.505 ppm2 2.593 CV 1 ASSI { 935} (( segid " " and resid 206 and name HN )) (( segid " " and resid 207 and name HN )) 2.600 0.800 0.800 peak 935 spectrum 1 weight 0.11000E+01 volume 0.16761E-02 ppm1 8.507 ppm2 7.212 CV 1 ASSI { 936} (( segid " " and resid 206 and name HN )) (( segid " " and resid 208 and name HA )) 5.400 5.400 0.600 peak 936 spectrum 1 weight 0.11000E+01 volume 0.30030E-03 ppm1 8.506 ppm2 3.493 CV 1 ASSI { 937} (( segid " " and resid 206 and name HN )) ( segid " " and resid 208 and name HG2%) 4.600 2.600 1.400 peak 937 spectrum 1 weight 0.11000E+01 volume 0.52471E-03 ppm1 8.514 ppm2 1.035 CV 1 ASSI { 938} (( segid " " and resid 206 and name HN )) (( segid " " and resid 204 and name HA )) 2.900 1.100 1.100 peak 938 spectrum 1 weight 0.11000E+01 volume 0.28677E-02 ppm1 8.505 ppm2 3.620 CV 1 ASSI { 939} (( segid " " and resid 206 and name HN )) ( segid " " and resid 209 and name HG1%) 4.200 2.200 1.800 peak 939 spectrum 1 weight 0.11000E+01 volume 0.77169E-03 ppm1 8.507 ppm2 0.951 CV 1 ASSI { 940} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HE )) 4.900 3.000 1.100 peak 940 spectrum 1 weight 0.11000E+01 volume 0.51957E-03 ppm1 7.216 ppm2 7.364 CV 1 ASSI { 941} (( segid " " and resid 207 and name HN )) (( segid " " and resid 204 and name HA )) 3.200 1.300 1.300 peak 941 spectrum 1 weight 0.11000E+01 volume 0.14021E-02 ppm1 7.215 ppm2 3.600 CV 1 ASSI { 942} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HD2 )) 4.500 2.500 1.500 peak 942 spectrum 1 weight 0.11000E+01 volume 0.30388E-03 ppm1 7.217 ppm2 3.180 CV 1 ASSI { 943} (( segid " " and resid 207 and name HN )) (( segid " " and resid 206 and name HG1 )) 4.900 3.000 1.100 peak 943 spectrum 1 weight 0.11000E+01 volume 0.36614E-03 ppm1 7.212 ppm2 2.577 CV 1 ASSI { 944} (( segid " " and resid 207 and name HN )) ( segid " " and resid 204 and name HD1%) 5.500 5.500 0.500 peak 944 spectrum 1 weight 0.11000E+01 volume 0.26671E-03 ppm1 7.210 ppm2 0.698 CV 1 ASSI { 945} (( segid " " and resid 207 and name HN )) (( segid " " and resid 205 and name HA )) 3.800 1.800 1.800 peak 945 spectrum 1 weight 0.11000E+01 volume 0.70307E-03 ppm1 7.214 ppm2 3.462 CV 1 ASSI { 946} (( segid " " and resid 207 and name HN )) (( segid " " and resid 205 and name HG1 )) 3.400 3.400 2.600 peak 946 spectrum 1 weight 0.11000E+01 volume 0.41426E-02 ppm1 7.215 ppm2 2.033 CV 1 ASSI { 947} (( segid " " and resid 207 and name HN )) (( segid " " and resid 206 and name HB1 )) 3.500 1.600 1.600 peak 947 spectrum 1 weight 0.11000E+01 volume 0.21148E-02 ppm1 7.214 ppm2 2.190 CV 1 ASSI { 949} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HA )) 2.800 1.000 1.000 peak 949 spectrum 1 weight 0.11000E+01 volume 0.21005E-02 ppm1 7.214 ppm2 4.148 CV 1 ASSI { 950} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HB1 )) 2.700 0.900 0.900 peak 950 spectrum 1 weight 0.11000E+01 volume 0.20489E-02 ppm1 7.217 ppm2 1.922 CV 1 ASSI { 951} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HG2 )) 3.500 1.500 1.500 peak 951 spectrum 1 weight 0.11000E+01 volume 0.12191E-02 ppm1 7.213 ppm2 1.712 CV 1 ASSI { 952} (( segid " " and resid 207 and name HN )) (( segid " " and resid 208 and name HN )) 2.400 0.700 0.700 peak 952 spectrum 1 weight 0.11000E+01 volume 0.24579E-02 ppm1 7.216 ppm2 8.265 CV 1 ASSI { 953} (( segid " " and resid 207 and name HN )) ( segid " " and resid 209 and name HG1%) 4.700 2.700 1.300 peak 953 spectrum 1 weight 0.11000E+01 volume 0.57551E-03 ppm1 7.217 ppm2 0.987 CV 1 ASSI { 954} (( segid " " and resid 207 and name HN )) (( segid " " and resid 209 and name HN )) 5.000 3.100 1.000 peak 954 spectrum 1 weight 0.11000E+01 volume 0.27459E-03 ppm1 7.211 ppm2 8.968 CV 1 ASSI { 955} (( segid " " and resid 208 and name HN )) (( segid " " and resid 207 and name HD1 )) 3.700 1.700 1.700 peak 955 spectrum 1 weight 0.11000E+01 volume 0.33393E-03 ppm1 8.268 ppm2 3.187 CV 1 ASSI { 957} (( segid " " and resid 208 and name HN )) ( segid " " and resid 138 and name HD1%) 4.900 3.000 1.100 peak 957 spectrum 1 weight 0.11000E+01 volume 0.34922E-03 ppm1 8.268 ppm2 0.377 CV 1 ASSI { 958} (( segid " " and resid 208 and name HN )) (( segid " " and resid 138 and name HG11)) 4.400 2.400 1.600 peak 958 spectrum 1 weight 0.11000E+01 volume 0.32478E-03 ppm1 8.268 ppm2 0.687 CV 1 ASSI { 959} (( segid " " and resid 208 and name HN )) (( segid " " and resid 204 and name HB )) 3.800 1.800 1.800 peak 959 spectrum 1 weight 0.11000E+01 volume 0.13015E-02 ppm1 8.264 ppm2 1.934 CV 1 ASSI { 960} (( segid " " and resid 208 and name HN )) (( segid " " and resid 205 and name HA )) 2.700 0.900 0.900 peak 960 spectrum 1 weight 0.11000E+01 volume 0.26897E-02 ppm1 8.268 ppm2 3.467 CV 1 ASSI { 961} (( segid " " and resid 208 and name HN )) (( segid " " and resid 205 and name HG1 )) 3.300 3.300 2.700 peak 961 spectrum 1 weight 0.11000E+01 volume 0.45087E-02 ppm1 8.269 ppm2 2.076 CV 1 OR { 961} (( segid " " and resid 208 and name HN )) (( segid " " and resid 205 and name HG2 )) ASSI { 963} (( segid " " and resid 208 and name HN )) (( segid " " and resid 207 and name HA )) 3.500 1.500 1.500 peak 963 spectrum 1 weight 0.11000E+01 volume 0.89848E-03 ppm1 8.265 ppm2 4.130 CV 1 ASSI { 964} (( segid " " and resid 208 and name HN )) (( segid " " and resid 207 and name HG2 )) 4.500 2.600 1.500 peak 964 spectrum 1 weight 0.11000E+01 volume 0.41704E-03 ppm1 8.264 ppm2 1.711 CV 1 ASSI { 966} (( segid " " and resid 208 and name HN )) (( segid " " and resid 208 and name HA )) 2.500 0.800 0.800 peak 966 spectrum 1 weight 0.11000E+01 volume 0.26897E-02 ppm1 8.268 ppm2 3.467 CV 1 ASSI { 967} (( segid " " and resid 208 and name HN )) ( segid " " and resid 208 and name HG1%) 3.500 1.500 1.500 peak 967 spectrum 1 weight 0.11000E+01 volume 0.12359E-02 ppm1 8.264 ppm2 1.080 CV 1 ASSI { 969} (( segid " " and resid 208 and name HN )) ( segid " " and resid 208 and name HG2%) 2.900 1.100 1.100 peak 969 spectrum 1 weight 0.11000E+01 volume 0.20333E-02 ppm1 8.264 ppm2 1.030 CV 1 ASSI { 970} (( segid " " and resid 208 and name HN )) (( segid " " and resid 209 and name HA )) 4.100 2.100 1.900 peak 970 spectrum 1 weight 0.11000E+01 volume 0.87992E-03 ppm1 8.271 ppm2 3.611 CV 1 ASSI { 971} (( segid " " and resid 208 and name HN )) (( segid " " and resid 209 and name HB )) 4.000 2.000 2.000 peak 971 spectrum 1 weight 0.11000E+01 volume 0.13332E-02 ppm1 8.269 ppm2 2.181 CV 1 ASSI { 972} (( segid " " and resid 208 and name HN )) ( segid " " and resid 209 and name HG1%) 3.600 1.600 1.600 peak 972 spectrum 1 weight 0.11000E+01 volume 0.34581E-02 ppm1 8.269 ppm2 0.983 CV 1 ASSI { 973} (( segid " " and resid 208 and name HN )) (( segid " " and resid 209 and name HN )) 2.600 0.800 0.800 peak 973 spectrum 1 weight 0.11000E+01 volume 0.18845E-02 ppm1 8.268 ppm2 8.987 CV 1 ASSI { 974} (( segid " " and resid 209 and name HN )) (( segid " " and resid 212 and name HA )) 5.200 5.200 0.800 peak 974 spectrum 1 weight 0.11000E+01 volume 0.26370E-03 ppm1 8.985 ppm2 4.132 CV 1 ASSI { 975} (( segid " " and resid 209 and name HN )) (( segid " " and resid 209 and name HB )) 2.500 0.800 0.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.28689E-02 ppm1 8.989 ppm2 2.152 CV 1 ASSI { 977} (( segid " " and resid 209 and name HN )) (( segid " " and resid 205 and name HA )) 3.000 1.100 1.100 peak 977 spectrum 1 weight 0.11000E+01 volume 0.11391E-02 ppm1 8.988 ppm2 3.461 CV 1 ASSI { 978} (( segid " " and resid 209 and name HN )) (( segid " " and resid 205 and name HN )) 3.700 1.700 1.700 peak 978 spectrum 1 weight 0.11000E+01 volume 0.11193E-02 ppm1 8.982 ppm2 8.819 CV 1 ASSI { 979} (( segid " " and resid 209 and name HN )) (( segid " " and resid 206 and name HA )) 3.100 1.200 1.200 peak 979 spectrum 1 weight 0.11000E+01 volume 0.19087E-02 ppm1 8.989 ppm2 3.617 CV 1 ASSI { 980} (( segid " " and resid 209 and name HN )) (( segid " " and resid 207 and name HB1 )) 5.200 3.300 0.800 peak 980 spectrum 1 weight 0.11000E+01 volume 0.43217E-03 ppm1 8.993 ppm2 1.895 CV 1 ASSI { 981} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HA )) 3.100 1.200 1.200 peak 981 spectrum 1 weight 0.11000E+01 volume 0.11391E-02 ppm1 8.991 ppm2 3.470 CV 1 ASSI { 982} (( segid " " and resid 209 and name HN )) ( segid " " and resid 208 and name HG1%) 3.300 1.300 1.300 peak 982 spectrum 1 weight 0.11000E+01 volume 0.11124E-02 ppm1 8.990 ppm2 1.083 CV 1 ASSI { 983} (( segid " " and resid 209 and name HN )) ( segid " " and resid 208 and name HG2%) 3.700 1.700 1.700 peak 983 spectrum 1 weight 0.11000E+01 volume 0.11769E-02 ppm1 8.985 ppm2 1.022 CV 1 ASSI { 985} (( segid " " and resid 209 and name HN )) (( segid " " and resid 209 and name HA )) 2.700 0.900 0.900 peak 985 spectrum 1 weight 0.11000E+01 volume 0.19087E-02 ppm1 8.989 ppm2 3.617 CV 1 ASSI { 986} (( segid " " and resid 209 and name HN )) ( segid " " and resid 209 and name HG1%) 3.300 1.300 1.300 peak 986 spectrum 1 weight 0.11000E+01 volume 0.30904E-02 ppm1 8.990 ppm2 0.957 CV 1 ASSI { 987} (( segid " " and resid 209 and name HN )) ( segid " " and resid 209 and name HG2%) 3.600 1.600 1.600 peak 987 spectrum 1 weight 0.11000E+01 volume 0.85079E-03 ppm1 8.985 ppm2 1.203 CV 1 ASSI { 988} (( segid " " and resid 209 and name HN )) (( segid " " and resid 210 and name HN )) 2.900 1.000 1.000 peak 988 spectrum 1 weight 0.11000E+01 volume 0.12359E-02 ppm1 8.989 ppm2 8.134 CV 1 ASSI { 991} (( segid " " and resid 210 and name HN )) (( segid " " and resid 206 and name HG1 )) 5.400 3.700 0.600 peak 991 spectrum 1 weight 0.11000E+01 volume 0.36865E-03 ppm1 8.139 ppm2 2.576 CV 1 ASSI { 992} (( segid " " and resid 210 and name HN )) (( segid " " and resid 207 and name HA )) 3.600 1.600 1.600 peak 992 spectrum 1 weight 0.11000E+01 volume 0.79135E-03 ppm1 8.135 ppm2 4.149 CV 1 ASSI { 993} (( segid " " and resid 210 and name HN )) (( segid " " and resid 208 and name HA )) 3.100 3.100 2.900 peak 993 spectrum 1 weight 0.11000E+01 volume 0.19055E-02 ppm1 8.132 ppm2 3.518 CV 1 ASSI { 994} (( segid " " and resid 210 and name HN )) ( segid " " and resid 208 and name HG2%) 2.100 2.100 3.900 peak 994 spectrum 1 weight 0.11000E+01 volume 0.18158E-02 ppm1 8.134 ppm2 1.040 CV 1 ASSI { 995} (( segid " " and resid 210 and name HN )) (( segid " " and resid 209 and name HA )) 3.100 1.200 1.200 peak 995 spectrum 1 weight 0.11000E+01 volume 0.13477E-02 ppm1 8.128 ppm2 3.605 CV 1 ASSI { 996} (( segid " " and resid 210 and name HN )) ( segid " " and resid 209 and name HG2%) 4.300 2.300 1.700 peak 996 spectrum 1 weight 0.11000E+01 volume 0.82769E-03 ppm1 8.131 ppm2 1.189 CV 1 ASSI { 998} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HA )) 2.800 1.000 1.000 peak 998 spectrum 1 weight 0.11000E+01 volume 0.20185E-02 ppm1 8.134 ppm2 3.548 CV 1 ASSI { 999} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HB1 )) 2.400 0.700 0.700 peak 999 spectrum 1 weight 0.11000E+01 volume 0.54272E-02 ppm1 8.134 ppm2 2.166 CV 1 ASSI { 1000} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HG1 )) 3.200 1.300 1.300 peak 1000 spectrum 1 weight 0.11000E+01 volume 0.54272E-02 ppm1 8.134 ppm2 2.166 CV 1 ASSI { 1001} (( segid " " and resid 210 and name HN )) (( segid " " and resid 211 and name HN )) 2.900 1.000 1.000 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.15007E-02 ppm1 8.134 ppm2 7.211 CV 1 ASSI { 1002} (( segid " " and resid 211 and name HN )) ( segid " " and resid 138 and name HD1%) 4.600 2.700 1.400 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.32002E-03 ppm1 7.221 ppm2 0.381 CV 1 ASSI { 1003} (( segid " " and resid 211 and name HN )) (( segid " " and resid 208 and name HA )) 3.500 1.500 1.500 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.73558E-03 ppm1 7.222 ppm2 3.515 CV 1 ASSI { 1004} (( segid " " and resid 211 and name HN )) ( segid " " and resid 208 and name HG2%) 2.600 2.600 3.400 peak 1004 spectrum 1 weight 0.11000E+01 volume 0.49801E-03 ppm1 7.218 ppm2 1.039 CV 1 ASSI { 1005} (( segid " " and resid 211 and name HN )) (( segid " " and resid 210 and name HB1 )) 2.300 0.700 0.700 peak 1005 spectrum 1 weight 0.11000E+01 volume 0.46348E-02 ppm1 7.217 ppm2 2.131 CV 1 ASSI { 1007} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HA )) 2.900 1.100 1.100 peak 1007 spectrum 1 weight 0.11000E+01 volume 0.16679E-02 ppm1 7.217 ppm2 3.953 CV 1 ASSI { 1008} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HB1 )) 3.000 1.100 1.100 peak 1008 spectrum 1 weight 0.11000E+01 volume 0.14438E-02 ppm1 7.214 ppm2 2.409 CV 1 ASSI { 1009} (( segid " " and resid 211 and name HN )) (( segid " " and resid 212 and name HA )) 3.900 1.900 1.900 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.15731E-02 ppm1 7.231 ppm2 4.115 CV 1 ASSI { 1010} (( segid " " and resid 211 and name HN )) (( segid " " and resid 212 and name HN )) 3.000 1.100 1.100 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.13007E-02 ppm1 7.217 ppm2 7.987 CV 1 ASSI { 1011} (( segid " " and resid 211 and name HN )) (( segid " " and resid 213 and name HN )) 4.600 2.600 1.400 peak 1011 spectrum 1 weight 0.11000E+01 volume 0.30569E-03 ppm1 7.215 ppm2 9.256 CV 1 ASSI { 1012} (( segid " " and resid 211 and name HN )) ( segid " " and resid 214 and name HD1%) 4.700 2.700 1.300 peak 1012 spectrum 1 weight 0.11000E+01 volume 0.26233E-03 ppm1 7.216 ppm2 0.822 CV 1 ASSI { 1013} (( segid " " and resid 211 and name HN )) (( segid " " and resid 214 and name HN )) 4.200 2.200 1.800 peak 1013 spectrum 1 weight 0.11000E+01 volume 0.45340E-03 ppm1 7.225 ppm2 8.312 CV 1 ASSI { 1015} (( segid " " and resid 212 and name HN )) ( segid " " and resid 208 and name HG1%) 4.500 2.500 1.500 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.35043E-03 ppm1 7.988 ppm2 1.061 CV 1 ASSI { 1016} (( segid " " and resid 212 and name HN )) (( segid " " and resid 209 and name HA )) 3.100 1.200 1.200 peak 1016 spectrum 1 weight 0.11000E+01 volume 0.12370E-02 ppm1 7.984 ppm2 3.614 CV 1 ASSI { 1017} (( segid " " and resid 212 and name HN )) ( segid " " and resid 209 and name HG1%) 3.900 1.900 1.900 peak 1017 spectrum 1 weight 0.11000E+01 volume 0.66528E-03 ppm1 7.986 ppm2 0.951 CV 1 ASSI { 1018} (( segid " " and resid 212 and name HN )) (( segid " " and resid 210 and name HB1 )) 3.500 1.500 1.500 peak 1018 spectrum 1 weight 0.11000E+01 volume 0.29591E-02 ppm1 7.983 ppm2 2.145 CV 1 ASSI { 1019} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HA )) 4.000 2.000 2.000 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.43614E-03 ppm1 7.984 ppm2 3.970 CV 1 ASSI { 1020} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HG1 )) 3.800 1.800 1.800 peak 1020 spectrum 1 weight 0.11000E+01 volume 0.11210E-02 ppm1 7.985 ppm2 2.449 CV 1 ASSI { 1022} (( segid " " and resid 212 and name HN )) (( segid " " and resid 212 and name HA )) 3.100 1.200 1.200 peak 1022 spectrum 1 weight 0.11000E+01 volume 0.13215E-02 ppm1 7.986 ppm2 4.111 CV 1 ASSI { 1023} (( segid " " and resid 212 and name HN )) (( segid " " and resid 212 and name HG1 )) 3.400 1.500 1.500 peak 1023 spectrum 1 weight 0.11000E+01 volume 0.15738E-02 ppm1 7.982 ppm2 2.740 CV 1 ASSI { 1024} (( segid " " and resid 212 and name HN )) (( segid " " and resid 213 and name HA )) 4.900 3.000 1.100 peak 1024 spectrum 1 weight 0.11000E+01 volume 0.28298E-03 ppm1 7.984 ppm2 4.333 CV 1 ASSI { 1026} (( segid " " and resid 213 and name HN )) (( segid " " and resid 211 and name HA )) 5.200 3.400 0.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.20632E-03 ppm1 9.233 ppm2 3.935 CV 1 ASSI { 1027} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HG2 )) 4.700 2.800 1.300 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.34977E-03 ppm1 9.231 ppm2 2.450 CV 1 ASSI { 1028} (( segid " " and resid 213 and name HN )) ( segid " " and resid 160 and name HG2%) 4.000 2.000 2.000 peak 1028 spectrum 1 weight 0.11000E+01 volume 0.40145E-03 ppm1 9.242 ppm2 0.777 CV 1 ASSI { 1029} (( segid " " and resid 213 and name HN )) ( segid " " and resid 175 and name HG1%) 3.600 1.700 1.700 peak 1029 spectrum 1 weight 0.11000E+01 volume 0.10824E-02 ppm1 9.242 ppm2 1.043 CV 1 ASSI { 1030} (( segid " " and resid 213 and name HN )) (( segid " " and resid 215 and name HN )) 4.300 2.300 1.700 peak 1030 spectrum 1 weight 0.11000E+01 volume 0.41340E-03 ppm1 9.231 ppm2 8.119 CV 1 ASSI { 1031} (( segid " " and resid 213 and name HN )) ( segid " " and resid 209 and name HG1%) 3.100 1.200 1.200 peak 1031 spectrum 1 weight 0.11000E+01 volume 0.12644E-02 ppm1 9.239 ppm2 0.956 CV 1 ASSI { 1032} (( segid " " and resid 213 and name HN )) ( segid " " and resid 209 and name HG2%) 4.300 2.300 1.700 peak 1032 spectrum 1 weight 0.11000E+01 volume 0.51947E-03 ppm1 9.251 ppm2 1.200 CV 1 ASSI { 1033} (( segid " " and resid 213 and name HN )) (( segid " " and resid 209 and name HN )) 4.800 2.800 1.200 peak 1033 spectrum 1 weight 0.11000E+01 volume 0.26365E-03 ppm1 9.254 ppm2 8.989 CV 1 ASSI { 1034} (( segid " " and resid 213 and name HN )) (( segid " " and resid 210 and name HA )) 3.000 1.100 1.100 peak 1034 spectrum 1 weight 0.11000E+01 volume 0.24859E-02 ppm1 9.240 ppm2 3.538 CV 1 ASSI { 1035} (( segid " " and resid 213 and name HN )) (( segid " " and resid 210 and name HB1 )) 3.600 3.600 2.400 peak 1035 spectrum 1 weight 0.11000E+01 volume 0.19884E-02 ppm1 9.240 ppm2 2.155 CV 1 ASSI { 1037} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HA )) 3.600 1.600 1.600 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.68283E-03 ppm1 9.239 ppm2 4.118 CV 1 ASSI { 1038} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HG1 )) 3.300 3.300 2.700 peak 1038 spectrum 1 weight 0.11000E+01 volume 0.79382E-03 ppm1 9.229 ppm2 2.796 CV 1 ASSI { 1039} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HN )) 2.900 1.000 1.000 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.17160E-02 ppm1 9.240 ppm2 7.984 CV 1 ASSI { 1040} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HA )) 2.900 1.100 1.100 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.15037E-02 ppm1 9.241 ppm2 4.349 CV 1 ASSI { 1041} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HB1 )) 2.800 1.000 1.000 peak 1041 spectrum 1 weight 0.11000E+01 volume 0.24859E-02 ppm1 9.240 ppm2 3.532 CV 1 ASSI { 1042} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HB2 )) 2.800 1.000 1.000 peak 1042 spectrum 1 weight 0.11000E+01 volume 0.13932E-02 ppm1 9.240 ppm2 2.839 CV 1 ASSI { 1043} (( segid " " and resid 213 and name HN )) (( segid " " and resid 214 and name HB )) 4.600 2.700 1.400 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.53564E-03 ppm1 9.235 ppm2 1.974 CV 1 ASSI { 1044} (( segid " " and resid 213 and name HN )) ( segid " " and resid 214 and name HD1%) 5.400 3.700 0.600 peak 1044 spectrum 1 weight 0.11000E+01 volume 0.24351E-03 ppm1 9.248 ppm2 0.818 CV 1 ASSI { 1045} (( segid " " and resid 213 and name HN )) (( segid " " and resid 214 and name HN )) 2.900 1.000 1.000 peak 1045 spectrum 1 weight 0.11000E+01 volume 0.14380E-02 ppm1 9.240 ppm2 8.322 CV 1 ASSI { 1046} (( segid " " and resid 214 and name HN )) ( segid " " and resid 175 and name HG1%) 3.100 1.200 1.200 peak 1046 spectrum 1 weight 0.11000E+01 volume 0.11947E-02 ppm1 8.327 ppm2 1.034 CV 1 ASSI { 1047} (( segid " " and resid 214 and name HN )) (( segid " " and resid 211 and name HA )) 4.100 2.100 1.900 peak 1047 spectrum 1 weight 0.11000E+01 volume 0.83528E-03 ppm1 8.330 ppm2 3.946 CV 1 ASSI { 1048} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HA )) 4.000 2.000 2.000 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.30150E-03 ppm1 8.325 ppm2 4.339 CV 1 ASSI { 1049} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HB2 )) 4.100 2.100 1.900 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.63701E-03 ppm1 8.326 ppm2 2.835 CV 1 ASSI { 1051} (( segid " " and resid 214 and name HN )) (( segid " " and resid 214 and name HA )) 2.900 1.100 1.100 peak 1051 spectrum 1 weight 0.11000E+01 volume 0.14486E-02 ppm1 8.326 ppm2 3.488 CV 1 ASSI { 1052} (( segid " " and resid 214 and name HN )) (( segid " " and resid 214 and name HB )) 2.400 0.700 0.700 peak 1052 spectrum 1 weight 0.11000E+01 volume 0.33479E-02 ppm1 8.327 ppm2 1.959 CV 1 ASSI { 1053} (( segid " " and resid 214 and name HN )) ( segid " " and resid 214 and name HD1%) 3.000 1.100 1.100 peak 1053 spectrum 1 weight 0.11000E+01 volume 0.29566E-02 ppm1 8.328 ppm2 0.833 CV 1 ASSI { 1055} (( segid " " and resid 214 and name HN )) (( segid " " and resid 217 and name HB2 )) 4.500 2.500 1.500 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.56177E-03 ppm1 8.334 ppm2 2.105 CV 1 ASSI { 1056} (( segid " " and resid 215 and name HN )) (( segid " " and resid 214 and name HB )) 3.000 1.100 1.100 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.20375E-02 ppm1 8.091 ppm2 1.956 CV 1 ASSI { 1057} (( segid " " and resid 215 and name HN )) ( segid " " and resid 214 and name HD1%) 3.700 1.700 1.700 peak 1057 spectrum 1 weight 0.11000E+01 volume 0.20183E-02 ppm1 8.095 ppm2 0.840 CV 1 ASSI { 1058} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HA )) 2.500 0.800 0.800 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.48253E-02 ppm1 8.099 ppm2 3.882 CV 1 ASSI { 1059} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HB )) 2.400 0.700 0.700 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.35975E-02 ppm1 8.092 ppm2 4.279 CV 1 ASSI { 1060} (( segid " " and resid 215 and name HN )) ( segid " " and resid 215 and name HG2%) 3.500 1.600 1.600 peak 1060 spectrum 1 weight 0.11000E+01 volume 0.12569E-02 ppm1 8.094 ppm2 1.217 CV 1 ASSI { 1061} (( segid " " and resid 215 and name HN )) (( segid " " and resid 216 and name HN )) 2.600 0.800 0.800 peak 1061 spectrum 1 weight 0.11000E+01 volume 0.22469E-02 ppm1 8.093 ppm2 8.774 CV 1 ASSI { 1062} (( segid " " and resid 215 and name HN )) (( segid " " and resid 216 and name HA )) 4.200 2.200 1.800 peak 1062 spectrum 1 weight 0.11000E+01 volume 0.83576E-03 ppm1 8.097 ppm2 3.703 CV 1 ASSI { 1063} (( segid " " and resid 216 and name HN )) ( segid " " and resid 160 and name HG2%) 4.700 2.700 1.300 peak 1063 spectrum 1 weight 0.11000E+01 volume 0.42737E-03 ppm1 8.766 ppm2 0.745 CV 1 ASSI { 1064} (( segid " " and resid 216 and name HN )) (( segid " " and resid 212 and name HA )) 4.400 2.400 1.600 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.47007E-03 ppm1 8.770 ppm2 4.100 CV 1 ASSI { 1065} (( segid " " and resid 216 and name HN )) (( segid " " and resid 212 and name HB2 )) 2.100 2.100 3.900 peak 1065 spectrum 1 weight 0.11000E+01 volume 0.19258E-02 ppm1 8.767 ppm2 2.300 CV 1 ASSI { 1066} (( segid " " and resid 216 and name HN )) (( segid " " and resid 215 and name HA )) 3.700 1.700 1.700 peak 1066 spectrum 1 weight 0.11000E+01 volume 0.51937E-03 ppm1 8.767 ppm2 3.857 CV 1 ASSI { 1067} (( segid " " and resid 216 and name HN )) (( segid " " and resid 215 and name HB )) 3.400 1.400 1.400 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.16531E-02 ppm1 8.766 ppm2 4.289 CV 1 ASSI { 1070} (( segid " " and resid 216 and name HN )) (( segid " " and resid 216 and name HA )) 2.800 0.900 0.900 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.15868E-02 ppm1 8.766 ppm2 3.680 CV 1 ASSI { 1071} (( segid " " and resid 216 and name HN )) (( segid " " and resid 216 and name HG1 )) 4.400 2.400 1.600 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.38090E-03 ppm1 8.766 ppm2 1.589 CV 1 ASSI { 1072} (( segid " " and resid 216 and name HN )) (( segid " " and resid 217 and name HA )) 4.900 3.000 1.100 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.31553E-03 ppm1 8.772 ppm2 2.933 CV 1 ASSI { 1073} (( segid " " and resid 216 and name HN )) (( segid " " and resid 218 and name HG1 )) 5.000 5.000 1.000 peak 1073 spectrum 1 weight 0.11000E+01 volume 0.16195E-03 ppm1 8.745 ppm2 2.635 CV 1 ASSI { 1074} (( segid " " and resid 216 and name HN )) (( segid " " and resid 219 and name HB1 )) 3.800 1.900 1.900 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.15771E-02 ppm1 8.768 ppm2 2.085 CV 1 ASSI { 1075} (( segid " " and resid 216 and name HN )) (( segid " " and resid 220 and name HN )) 4.200 2.200 1.800 peak 1075 spectrum 1 weight 0.11000E+01 volume 0.96104E-03 ppm1 8.768 ppm2 8.481 CV 1 ASSI { 1076} (( segid " " and resid 217 and name HN )) ( segid " " and resid 175 and name HG1%) 2.700 2.700 3.300 peak 1076 spectrum 1 weight 0.11000E+01 volume 0.42912E-03 ppm1 8.488 ppm2 1.008 CV 1 ASSI { 1077} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HB2 )) 3.500 1.500 1.500 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.36469E-03 ppm1 8.491 ppm2 1.674 CV 1 ASSI { 1079} (( segid " " and resid 217 and name HN )) (( segid " " and resid 213 and name HA )) 4.500 2.500 1.500 peak 1079 spectrum 1 weight 0.11000E+01 volume 0.48719E-03 ppm1 8.503 ppm2 4.314 CV 1 ASSI { 1080} (( segid " " and resid 217 and name HN )) (( segid " " and resid 214 and name HA )) 3.200 1.300 1.300 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.79555E-03 ppm1 8.495 ppm2 3.460 CV 1 ASSI { 1081} (( segid " " and resid 217 and name HN )) ( segid " " and resid 214 and name HD1%) 4.700 2.800 1.300 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.48624E-03 ppm1 8.495 ppm2 0.835 CV 1 ASSI { 1082} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HA )) 3.400 1.500 1.500 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.60985E-03 ppm1 8.493 ppm2 3.687 CV 1 ASSI { 1083} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HB1 )) 4.000 2.000 2.000 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.80260E-03 ppm1 8.494 ppm2 2.296 CV 1 ASSI { 1084} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HN )) 2.900 1.000 1.000 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.12980E-02 ppm1 8.493 ppm2 8.761 CV 1 ASSI { 1085} (( segid " " and resid 217 and name HN )) (( segid " " and resid 217 and name HA )) 2.700 0.900 0.900 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.26719E-02 ppm1 8.492 ppm2 2.938 CV 1 ASSI { 1086} (( segid " " and resid 217 and name HN )) (( segid " " and resid 217 and name HB2 )) 3.300 1.400 1.400 peak 1086 spectrum 1 weight 0.11000E+01 volume 0.99688E-03 ppm1 8.489 ppm2 2.072 CV 1 ASSI { 1087} (( segid " " and resid 217 and name HN )) ( segid " " and resid 217 and name HD% ) 4.300 2.300 1.700 peak 1087 spectrum 1 weight 0.11000E+01 volume 0.94688E-03 ppm1 8.493 ppm2 6.156 CV 1 ASSI { 1088} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HB2 )) 4.900 3.100 1.100 peak 1088 spectrum 1 weight 0.11000E+01 volume 0.69278E-03 ppm1 8.483 ppm2 2.021 CV 1 ASSI { 1089} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HG1 )) 3.600 1.600 1.600 peak 1089 spectrum 1 weight 0.11000E+01 volume 0.20494E-02 ppm1 8.495 ppm2 2.674 CV 1 ASSI { 1090} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HN )) 2.900 1.000 1.000 peak 1090 spectrum 1 weight 0.11000E+01 volume 0.16288E-02 ppm1 8.498 ppm2 8.357 CV 1 ASSI { 1091} (( segid " " and resid 217 and name HN )) (( segid " " and resid 220 and name HB1 )) 4.200 2.200 1.800 peak 1091 spectrum 1 weight 0.11000E+01 volume 0.53476E-03 ppm1 8.483 ppm2 2.107 CV 1 ASSI { 1093} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB2 )) 2.500 0.800 0.800 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.39955E-02 ppm1 8.356 ppm2 3.027 CV 1 ASSI { 1094} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB1 )) 2.800 1.000 1.000 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.38964E-02 ppm1 8.358 ppm2 3.216 CV 1 ASSI { 1096} (( segid " " and resid 218 and name HN )) (( segid " " and resid 214 and name HA )) 4.300 2.300 1.700 peak 1096 spectrum 1 weight 0.11000E+01 volume 0.45494E-03 ppm1 8.349 ppm2 3.493 CV 1 ASSI { 1097} (( segid " " and resid 218 and name HN )) ( segid " " and resid 214 and name HD1%) 2.600 2.600 3.400 peak 1097 spectrum 1 weight 0.11000E+01 volume 0.49298E-03 ppm1 8.340 ppm2 0.839 CV 1 ASSI { 1098} (( segid " " and resid 218 and name HN )) (( segid " " and resid 215 and name HA )) 3.500 1.500 1.500 peak 1098 spectrum 1 weight 0.11000E+01 volume 0.97300E-03 ppm1 8.341 ppm2 3.864 CV 1 ASSI { 1099} (( segid " " and resid 218 and name HN )) (( segid " " and resid 216 and name HB1 )) 3.600 3.600 2.400 peak 1099 spectrum 1 weight 0.11000E+01 volume 0.22805E-02 ppm1 8.337 ppm2 2.323 CV 1 ASSI { 1100} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HA )) 2.900 1.100 1.100 peak 1100 spectrum 1 weight 0.11000E+01 volume 0.21448E-02 ppm1 8.338 ppm2 3.725 CV 1 ASSI { 1101} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HB1 )) 3.000 3.000 3.000 peak 1101 spectrum 1 weight 0.11000E+01 volume 0.14720E-02 ppm1 8.335 ppm2 2.473 CV 1 ASSI { 1102} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HG1 )) 2.500 0.800 0.800 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.40088E-02 ppm1 8.352 ppm2 2.705 CV 1 ASSI { 1103} (( segid " " and resid 218 and name HN )) (( segid " " and resid 219 and name HB1 )) 3.400 1.400 1.400 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.21278E-02 ppm1 8.338 ppm2 2.081 CV 1 ASSI { 1104} (( segid " " and resid 218 and name HN )) (( segid " " and resid 219 and name HA )) 4.900 3.000 1.100 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.37882E-03 ppm1 8.340 ppm2 4.000 CV 1 ASSI { 1105} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 3.000 1.100 1.100 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.22448E-02 ppm1 8.362 ppm2 4.201 CV 1 ASSI { 1108} (( segid " " and resid 219 and name HN )) ( segid " " and resid 215 and name HG2%) 4.900 3.000 1.100 peak 1108 spectrum 1 weight 0.11000E+01 volume 0.35621E-03 ppm1 8.241 ppm2 1.222 CV 1 ASSI { 1110} (( segid " " and resid 219 and name HN )) (( segid " " and resid 215 and name HN )) 3.600 3.600 2.400 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.16564E-02 ppm1 8.236 ppm2 8.067 CV 1 ASSI { 1111} (( segid " " and resid 219 and name HN )) (( segid " " and resid 216 and name HB1 )) 3.500 3.500 2.500 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.25220E-02 ppm1 8.232 ppm2 2.332 CV 1 ASSI { 1112} (( segid " " and resid 219 and name HN )) (( segid " " and resid 217 and name HA )) 4.400 2.400 1.600 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.26674E-03 ppm1 8.230 ppm2 2.935 CV 1 ASSI { 1113} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HA )) 3.300 1.300 1.300 peak 1113 spectrum 1 weight 0.11000E+01 volume 0.12125E-02 ppm1 8.234 ppm2 3.699 CV 1 ASSI { 1114} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HG1 )) 3.500 1.600 1.600 peak 1114 spectrum 1 weight 0.11000E+01 volume 0.42543E-03 ppm1 8.234 ppm2 2.690 CV 1 ASSI { 1115} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HN )) 2.700 0.900 0.900 peak 1115 spectrum 1 weight 0.11000E+01 volume 0.17206E-02 ppm1 8.227 ppm2 8.351 CV 1 ASSI { 1116} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HA )) 2.800 1.000 1.000 peak 1116 spectrum 1 weight 0.11000E+01 volume 0.22629E-02 ppm1 8.234 ppm2 3.994 CV 1 ASSI { 1117} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HB1 )) 2.200 0.600 0.600 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.59673E-02 ppm1 8.233 ppm2 2.087 CV 1 ASSI { 1118} (( segid " " and resid 219 and name HN )) (( segid " " and resid 220 and name HN )) 2.400 0.700 0.700 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.24729E-02 ppm1 8.231 ppm2 8.480 CV 1 ASSI { 1119} (( segid " " and resid 219 and name HN )) (( segid " " and resid 221 and name HA )) 3.800 3.800 2.200 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.22629E-02 ppm1 8.234 ppm2 3.994 CV 1 ASSI { 1122} (( segid " " and resid 220 and name HN )) ( segid " " and resid 165 and name HG1%) 4.500 2.600 1.500 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.50496E-03 ppm1 8.493 ppm2 0.842 CV 1 ASSI { 1123} (( segid " " and resid 220 and name HN )) (( segid " " and resid 216 and name HA )) 3.100 1.200 1.200 peak 1123 spectrum 1 weight 0.11000E+01 volume 0.47940E-03 ppm1 8.495 ppm2 3.697 CV 1 ASSI { 1124} (( segid " " and resid 220 and name HN )) (( segid " " and resid 216 and name HB1 )) 3.100 3.100 2.900 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.20960E-02 ppm1 8.494 ppm2 2.390 CV 1 ASSI { 1125} (( segid " " and resid 220 and name HN )) (( segid " " and resid 217 and name HA )) 3.800 1.800 1.800 peak 1125 spectrum 1 weight 0.11000E+01 volume 0.43707E-03 ppm1 8.491 ppm2 2.923 CV 1 ASSI { 1127} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HA )) 2.700 0.900 0.900 peak 1127 spectrum 1 weight 0.11000E+01 volume 0.20988E-02 ppm1 8.493 ppm2 4.058 CV 1 ASSI { 1128} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HB1 )) 2.300 0.700 0.700 peak 1128 spectrum 1 weight 0.11000E+01 volume 0.39641E-02 ppm1 8.497 ppm2 2.109 CV 1 ASSI { 1129} (( segid " " and resid 220 and name HN )) (( segid " " and resid 222 and name HN )) 3.900 1.900 1.900 peak 1129 spectrum 1 weight 0.11000E+01 volume 0.56100E-03 ppm1 8.494 ppm2 7.828 CV 1 ASSI { 1130} (( segid " " and resid 220 and name HN )) ( segid " " and resid 223 and name HB% ) 5.100 3.200 0.900 peak 1130 spectrum 1 weight 0.11000E+01 volume 0.31947E-03 ppm1 8.490 ppm2 1.497 CV 1 ASSI { 1132} (( segid " " and resid 221 and name HN )) ( segid " " and resid 165 and name HG1%) 3.700 1.700 1.700 peak 1132 spectrum 1 weight 0.11000E+01 volume 0.99824E-03 ppm1 8.444 ppm2 0.829 CV 1 ASSI { 1133} (( segid " " and resid 221 and name HN )) (( segid " " and resid 217 and name HA )) 4.000 2.000 2.000 peak 1133 spectrum 1 weight 0.11000E+01 volume 0.33029E-03 ppm1 8.446 ppm2 2.926 CV 1 ASSI { 1134} (( segid " " and resid 221 and name HN )) (( segid " " and resid 219 and name HG2 )) 5.400 3.600 0.600 peak 1134 spectrum 1 weight 0.11000E+01 volume 0.59611E-03 ppm1 8.444 ppm2 2.411 CV 1 ASSI { 1135} (( segid " " and resid 221 and name HN )) (( segid " " and resid 220 and name HA )) 3.500 1.600 1.600 peak 1135 spectrum 1 weight 0.11000E+01 volume 0.84267E-03 ppm1 8.444 ppm2 4.063 CV 1 ASSI { 1136} (( segid " " and resid 221 and name HN )) (( segid " " and resid 220 and name HB1 )) 2.900 1.000 1.000 peak 1136 spectrum 1 weight 0.11000E+01 volume 0.17524E-02 ppm1 8.443 ppm2 2.118 CV 1 ASSI { 1137} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HA )) 2.700 0.900 0.900 peak 1137 spectrum 1 weight 0.11000E+01 volume 0.22363E-02 ppm1 8.445 ppm2 3.946 CV 1 ASSI { 1138} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HB1 )) 2.800 1.000 1.000 peak 1138 spectrum 1 weight 0.11000E+01 volume 0.20112E-02 ppm1 8.446 ppm2 3.560 CV 1 ASSI { 1139} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HB2 )) 3.200 1.300 1.300 peak 1139 spectrum 1 weight 0.11000E+01 volume 0.20611E-02 ppm1 8.437 ppm2 3.361 CV 1 ASSI { 1141} (( segid " " and resid 221 and name HN )) ( segid " " and resid 223 and name HB% ) 5.300 3.500 0.700 peak 1141 spectrum 1 weight 0.11000E+01 volume 0.39662E-03 ppm1 8.443 ppm2 1.469 CV 1 ASSI { 1142} (( segid " " and resid 222 and name HN )) (( segid " " and resid 218 and name HA )) 4.000 2.000 2.000 peak 1142 spectrum 1 weight 0.11000E+01 volume 0.57817E-03 ppm1 7.820 ppm2 3.721 CV 1 ASSI { 1143} (( segid " " and resid 222 and name HN )) (( segid " " and resid 219 and name HG2 )) 3.900 1.900 1.900 peak 1143 spectrum 1 weight 0.11000E+01 volume 0.21762E-02 ppm1 7.821 ppm2 2.445 CV 1 ASSI { 1144} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HA )) 2.800 1.000 1.000 peak 1144 spectrum 1 weight 0.11000E+01 volume 0.19990E-02 ppm1 7.825 ppm2 3.979 CV 1 ASSI { 1145} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HB1 )) 3.500 1.500 1.500 peak 1145 spectrum 1 weight 0.11000E+01 volume 0.14477E-02 ppm1 7.821 ppm2 3.552 CV 1 ASSI { 1146} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HB2 )) 3.500 1.600 1.600 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.11856E-02 ppm1 7.821 ppm2 3.352 CV 1 ASSI { 1147} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HN )) 2.600 0.800 0.800 peak 1147 spectrum 1 weight 0.11000E+01 volume 0.28794E-02 ppm1 7.822 ppm2 8.448 CV 1 ASSI { 1148} (( segid " " and resid 222 and name HN )) (( segid " " and resid 222 and name HA )) 2.400 0.700 0.700 peak 1148 spectrum 1 weight 0.11000E+01 volume 0.64649E-02 ppm1 7.834 ppm2 4.163 CV 1 ASSI { 1149} (( segid " " and resid 222 and name HN )) (( segid " " and resid 222 and name HB1 )) 2.200 0.600 0.600 peak 1149 spectrum 1 weight 0.11000E+01 volume 0.93097E-02 ppm1 7.824 ppm2 2.132 CV 1 ASSI { 1150} (( segid " " and resid 222 and name HN )) (( segid " " and resid 225 and name HB1 )) 3.900 1.900 1.900 peak 1150 spectrum 1 weight 0.11000E+01 volume 0.50821E-03 ppm1 7.832 ppm2 3.173 CV 1 ASSI { 1151} (( segid " " and resid 222 and name HN )) (( segid " " and resid 225 and name HN )) 2.800 1.000 1.000 peak 1151 spectrum 1 weight 0.11000E+01 volume 0.33197E-02 ppm1 7.827 ppm2 7.968 CV 1 ASSI { 1152} (( segid " " and resid 223 and name HN )) ( segid " " and resid 223 and name HB% ) 2.300 0.600 0.600 peak 1152 spectrum 1 weight 0.11000E+01 volume 0.84217E-02 ppm1 7.843 ppm2 1.486 CV 1 ASSI { 1153} (( segid " " and resid 223 and name HN )) (( segid " " and resid 227 and name HG1 )) 5.400 3.600 0.600 peak 1153 spectrum 1 weight 0.11000E+01 volume 0.44648E-03 ppm1 7.840 ppm2 1.606 CV 1 ASSI { 1156} (( segid " " and resid 224 and name HN )) ( segid " " and resid 165 and name HG1%) 5.100 3.300 0.900 peak 1156 spectrum 1 weight 0.11000E+01 volume 0.34420E-03 ppm1 8.004 ppm2 0.838 CV 1 ASSI { 1157} (( segid " " and resid 224 and name HN )) (( segid " " and resid 167 and name HB1 )) 4.500 2.500 1.500 peak 1157 spectrum 1 weight 0.11000E+01 volume 0.38796E-03 ppm1 8.004 ppm2 1.894 CV 1 ASSI { 1158} (( segid " " and resid 224 and name HN )) (( segid " " and resid 220 and name HB1 )) 4.100 2.100 1.900 peak 1158 spectrum 1 weight 0.11000E+01 volume 0.81219E-03 ppm1 8.003 ppm2 2.130 CV 1 ASSI { 1159} (( segid " " and resid 224 and name HN )) (( segid " " and resid 221 and name HA )) 3.200 1.200 1.200 peak 1159 spectrum 1 weight 0.11000E+01 volume 0.15114E-02 ppm1 8.007 ppm2 3.982 CV 1 ASSI { 1160} (( segid " " and resid 224 and name HN )) (( segid " " and resid 222 and name HA )) 3.500 3.500 2.500 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.23123E-02 ppm1 8.004 ppm2 4.166 CV 1 ASSI { 1161} (( segid " " and resid 224 and name HN )) (( segid " " and resid 222 and name HG1 )) 5.200 3.400 0.800 peak 1161 spectrum 1 weight 0.11000E+01 volume 0.23922E-03 ppm1 8.004 ppm2 2.445 CV 1 ASSI { 1162} (( segid " " and resid 224 and name HN )) (( segid " " and resid 222 and name HN )) 3.000 1.100 1.100 peak 1162 spectrum 1 weight 0.11000E+01 volume 0.35779E-02 ppm1 7.994 ppm2 7.819 CV 1 ASSI { 1163} (( segid " " and resid 224 and name HN )) ( segid " " and resid 224 and name HB% ) 2.100 0.500 0.500 peak 1163 spectrum 1 weight 0.11000E+01 volume 0.11125E-01 ppm1 8.004 ppm2 1.456 CV 1 ASSI { 1164} (( segid " " and resid 224 and name HN )) (( segid " " and resid 225 and name HA )) 4.100 2.100 1.900 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.99284E-03 ppm1 8.002 ppm2 4.292 CV 1 ASSI { 1165} (( segid " " and resid 224 and name HN )) (( segid " " and resid 225 and name HB1 )) 3.700 1.700 1.700 peak 1165 spectrum 1 weight 0.11000E+01 volume 0.18271E-02 ppm1 8.002 ppm2 3.178 CV 1 ASSI { 1168} (( segid " " and resid 225 and name HN )) (( segid " " and resid 221 and name HA )) 3.100 3.100 2.900 peak 1168 spectrum 1 weight 0.11000E+01 volume 0.13202E-02 ppm1 7.965 ppm2 4.019 CV 1 ASSI { 1169} (( segid " " and resid 225 and name HN )) (( segid " " and resid 225 and name HA )) 2.700 0.900 0.900 peak 1169 spectrum 1 weight 0.11000E+01 volume 0.35330E-02 ppm1 7.964 ppm2 4.299 CV 1 ASSI { 1170} (( segid " " and resid 225 and name HN )) (( segid " " and resid 225 and name HB1 )) 2.200 0.600 0.600 peak 1170 spectrum 1 weight 0.11000E+01 volume 0.56791E-02 ppm1 7.965 ppm2 3.165 CV 1 ASSI { 1171} (( segid " " and resid 225 and name HN )) ( segid " " and resid 225 and name HD% ) 4.400 2.400 1.600 peak 1171 spectrum 1 weight 0.11000E+01 volume 0.10312E-02 ppm1 7.961 ppm2 7.129 CV 1 ASSI { 1172} (( segid " " and resid 225 and name HN )) (( segid " " and resid 226 and name HA )) 5.000 3.100 1.000 peak 1172 spectrum 1 weight 0.11000E+01 volume 0.55187E-03 ppm1 7.965 ppm2 3.933 CV 1 ASSI { 1173} (( segid " " and resid 225 and name HN )) (( segid " " and resid 226 and name HG1 )) 5.300 3.500 0.700 peak 1173 spectrum 1 weight 0.11000E+01 volume 0.45282E-03 ppm1 7.964 ppm2 2.494 CV 1 ASSI { 1174} (( segid " " and resid 225 and name HN )) (( segid " " and resid 228 and name HN )) 4.100 2.100 1.900 peak 1174 spectrum 1 weight 0.11000E+01 volume 0.44608E-03 ppm1 7.969 ppm2 7.745 CV 1 ASSI { 1175} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HA )) 2.600 0.800 0.800 peak 1175 spectrum 1 weight 0.11000E+01 volume 0.48253E-02 ppm1 8.099 ppm2 3.882 CV 1 ASSI { 1176} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HB1 )) 2.000 0.500 0.500 peak 1176 spectrum 1 weight 0.11000E+01 volume 0.69127E-02 ppm1 8.103 ppm2 2.169 CV 1 ASSI { 1177} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HG1 )) 3.400 1.400 1.400 peak 1177 spectrum 1 weight 0.11000E+01 volume 0.32772E-02 ppm1 8.102 ppm2 2.495 CV 1 ASSI { 1178} (( segid " " and resid 226 and name HN )) (( segid " " and resid 227 and name HA )) 3.600 3.600 2.400 peak 1178 spectrum 1 weight 0.11000E+01 volume 0.24082E-02 ppm1 8.102 ppm2 4.155 CV 1 ASSI { 1179} (( segid " " and resid 226 and name HN )) (( segid " " and resid 228 and name HN )) 3.700 1.700 1.700 peak 1179 spectrum 1 weight 0.11000E+01 volume 0.79566E-03 ppm1 8.103 ppm2 7.723 CV 1 ASSI { 1180} (( segid " " and resid 227 and name HN )) (( segid " " and resid 225 and name HA )) 4.400 2.400 1.600 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.37100E-03 ppm1 8.067 ppm2 4.303 CV 1 ASSI { 1181} (( segid " " and resid 227 and name HN )) (( segid " " and resid 224 and name HA )) 3.000 1.200 1.200 peak 1181 spectrum 1 weight 0.11000E+01 volume 0.59445E-02 ppm1 8.066 ppm2 4.069 CV 1 ASSI { 1182} (( segid " " and resid 227 and name HN )) (( segid " " and resid 225 and name HB1 )) 4.200 2.200 1.800 peak 1182 spectrum 1 weight 0.11000E+01 volume 0.91071E-03 ppm1 8.070 ppm2 3.172 CV 1 ASSI { 1183} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HA )) 3.400 1.500 1.500 peak 1183 spectrum 1 weight 0.11000E+01 volume 0.10885E-02 ppm1 8.066 ppm2 3.899 CV 1 ASSI { 1184} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HB1 )) 2.500 0.800 0.800 peak 1184 spectrum 1 weight 0.11000E+01 volume 0.37133E-02 ppm1 8.068 ppm2 2.169 CV 1 ASSI { 1185} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HG1 )) 3.000 1.100 1.100 peak 1185 spectrum 1 weight 0.11000E+01 volume 0.14506E-02 ppm1 8.068 ppm2 2.485 CV 1 ASSI { 1186} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HA )) 2.700 0.900 0.900 peak 1186 spectrum 1 weight 0.11000E+01 volume 0.34865E-02 ppm1 8.063 ppm2 4.118 CV 1 ASSI { 1187} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HB1 )) 2.200 0.600 0.600 peak 1187 spectrum 1 weight 0.11000E+01 volume 0.69932E-02 ppm1 8.069 ppm2 1.932 CV 1 ASSI { 1188} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HB2 )) 3.100 1.200 1.200 peak 1188 spectrum 1 weight 0.11000E+01 volume 0.49899E-02 ppm1 8.067 ppm2 1.804 CV 1 ASSI { 1189} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HG1 )) 3.400 1.400 1.400 peak 1189 spectrum 1 weight 0.11000E+01 volume 0.31593E-02 ppm1 8.075 ppm2 1.597 CV 1 ASSI { 1190} (( segid " " and resid 227 and name HN )) ( segid " " and resid 228 and name HB% ) 3.800 1.800 1.800 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.15604E-02 ppm1 8.067 ppm2 1.434 CV 1 ASSI { 1192} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HG1 )) 3.100 1.200 1.200 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.13085E-02 ppm1 7.726 ppm2 1.585 CV 1 ASSI { 1194} (( segid " " and resid 228 and name HN )) (( segid " " and resid 225 and name HA )) 3.300 1.300 1.300 peak 1194 spectrum 1 weight 0.11000E+01 volume 0.11562E-02 ppm1 7.728 ppm2 4.292 CV 1 ASSI { 1195} (( segid " " and resid 228 and name HN )) (( segid " " and resid 226 and name HA )) 4.200 2.200 1.800 peak 1195 spectrum 1 weight 0.11000E+01 volume 0.46315E-03 ppm1 7.730 ppm2 3.914 CV 1 ASSI { 1196} (( segid " " and resid 228 and name HN )) (( segid " " and resid 226 and name HB1 )) 4.400 2.500 1.600 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.67250E-03 ppm1 7.726 ppm2 2.175 CV 1 ASSI { 1197} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HA )) 2.600 0.900 0.900 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.60498E-02 ppm1 7.726 ppm2 4.113 CV 1 ASSI { 1198} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HB1 )) 3.500 1.500 1.500 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.23518E-02 ppm1 7.728 ppm2 1.925 CV 1 ASSI { 1199} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HB2 )) 3.400 1.500 1.500 peak 1199 spectrum 1 weight 0.11000E+01 volume 0.21847E-02 ppm1 7.725 ppm2 1.806 CV 1 ASSI { 1200} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HD2 )) 5.000 3.100 1.000 peak 1200 spectrum 1 weight 0.11000E+01 volume 0.56436E-03 ppm1 7.727 ppm2 3.156 CV 1 ASSI { 1201} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HN )) 2.300 0.600 0.600 peak 1201 spectrum 1 weight 0.11000E+01 volume 0.64871E-02 ppm1 7.726 ppm2 8.072 CV 1 ASSI { 1202} (( segid " " and resid 228 and name HN )) ( segid " " and resid 228 and name HB% ) 2.400 0.700 0.700 peak 1202 spectrum 1 weight 0.11000E+01 volume 0.10962E-01 ppm1 7.726 ppm2 1.432 CV 1 ASSI { 14} ( segid " " and resid 137 and name HD2%) ( segid " " and resid 149 and name HD% ) 3.400 1.500 1.500 peak 14 spectrum 1 weight 0.10000E+01 volume 0.86090E-03 ppm1 0.875 ppm2 6.876 CV 1 ASSI { 15} (( segid " " and resid 210 and name HG2 )) ( segid " " and resid 175 and name HG1%) 3.300 1.300 1.300 peak 15 spectrum 1 weight 0.11000E+01 volume 0.21082E-02 ppm1 2.062 ppm2 1.045 CV 1 ASSI { 18} (( segid " " and resid 207 and name HG1 )) (( segid " " and resid 207 and name HD1 )) 2.800 1.000 1.000 peak 18 spectrum 1 weight 0.11000E+01 volume 0.19345E-02 ppm1 1.789 ppm2 3.181 CV 1 ASSI { 32} (( segid " " and resid 165 and name HB )) (( segid " " and resid 165 and name HA )) 2.900 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.17536E-02 ppm1 2.128 ppm2 4.319 CV 1 ASSI { 34} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 205 and name HG1 )) 3.000 1.100 1.100 peak 34 spectrum 1 weight 0.10000E+01 volume 0.19318E-02 ppm1 1.496 ppm2 2.111 CV 1 ASSI { 44} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 136 and name HA )) 2.700 0.900 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.24335E-02 ppm1 2.238 ppm2 4.398 CV 1 ASSI { 45} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 136 and name HB2 )) 2.100 0.500 0.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.36787E-02 ppm1 2.239 ppm2 1.769 CV 1 OR { 45} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 136 and name HG1 )) ASSI { 47} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 220 and name HB2 )) 3.100 1.200 1.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 2.179 ppm2 1.701 CV 1 ASSI { 48} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 220 and name HB2 )) 2.900 1.000 1.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.15934E-02 ppm1 2.410 ppm2 1.710 CV 1 ASSI { 50} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HG11)) 5.500 3.800 0.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.47643E-03 ppm1 4.589 ppm2 0.699 CV 1 ASSI { 66} (( segid " " and resid 217 and name HA )) ( segid " " and resid 175 and name HG2%) 5.100 3.300 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.27065E-03 ppm1 2.937 ppm2 1.028 CV 1 ASSI { 67} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 216 and name HG1 )) 4.800 2.800 1.200 peak 67 spectrum 1 weight 0.10000E+01 volume 0.56358E-03 ppm1 1.237 ppm2 1.627 CV 1 ASSI { 69} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 153 and name HG2 )) 2.500 0.800 0.800 peak 69 spectrum 1 weight 0.10000E+01 volume 0.51345E-02 ppm1 1.826 ppm2 2.137 CV 1 ASSI { 71} (( segid " " and resid 173 and name HA )) (( segid " " and resid 176 and name HB1 )) 3.000 1.100 1.100 peak 71 spectrum 1 weight 0.11000E+01 volume 0.24263E-02 ppm1 4.574 ppm2 3.313 CV 1 OR { 71} (( segid " " and resid 173 and name HA )) (( segid " " and resid 176 and name HB2 )) ASSI { 88} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB1 )) 2.400 0.700 0.700 peak 88 spectrum 1 weight 0.11000E+01 volume 0.47614E-02 ppm1 4.334 ppm2 1.553 CV 1 ASSI { 90} (( segid " " and resid 124 and name HA )) (( segid " " and resid 125 and name HA1 )) 4.100 2.100 1.900 peak 90 spectrum 1 weight 0.11000E+01 volume 0.10324E-02 ppm1 4.338 ppm2 3.919 CV 1 ASSI { 91} (( segid " " and resid 124 and name HA )) (( segid " " and resid 127 and name HB1 )) 4.500 2.500 1.500 peak 91 spectrum 1 weight 0.11000E+01 volume 0.51801E-03 ppm1 4.336 ppm2 2.883 CV 1 ASSI { 92} (( segid " " and resid 124 and name HA )) ( segid " " and resid 161 and name HD% ) 3.200 3.200 2.800 peak 92 spectrum 1 weight 0.11000E+01 volume 0.16595E-02 ppm1 4.336 ppm2 6.854 CV 1 ASSI { 94} (( segid " " and resid 124 and name HA )) ( segid " " and resid 181 and name HD1%) 4.000 2.000 2.000 peak 94 spectrum 1 weight 0.11000E+01 volume 0.96154E-03 ppm1 4.337 ppm2 0.413 CV 1 ASSI { 95} (( segid " " and resid 124 and name HA )) ( segid " " and resid 181 and name HG2%) 4.200 2.200 1.800 peak 95 spectrum 1 weight 0.11000E+01 volume 0.56681E-03 ppm1 4.335 ppm2 0.227 CV 1 ASSI { 102} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HA )) 3.000 1.200 1.200 peak 102 spectrum 1 weight 0.11000E+01 volume 0.22631E-02 ppm1 0.627 ppm2 4.345 CV 1 ASSI { 103} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB1 )) 2.500 0.800 0.800 peak 103 spectrum 1 weight 0.11000E+01 volume 0.65175E-02 ppm1 0.626 ppm2 1.556 CV 1 ASSI { 104} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB2 )) 2.600 0.800 0.800 peak 104 spectrum 1 weight 0.11000E+01 volume 0.60515E-02 ppm1 0.625 ppm2 1.510 CV 1 ASSI { 105} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 127 and name HB1 )) 4.400 2.400 1.600 peak 105 spectrum 1 weight 0.11000E+01 volume 0.58145E-03 ppm1 0.626 ppm2 2.893 CV 1 ASSI { 106} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 127 and name HD% ) 3.700 3.700 2.300 peak 106 spectrum 1 weight 0.11000E+01 volume 0.13107E-02 ppm1 0.629 ppm2 6.818 CV 1 ASSI { 108} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 184 and name HB2 )) 4.100 2.100 1.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.72288E-03 ppm1 0.626 ppm2 1.853 CV 1 ASSI { 110} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 181 and name HD1%) 2.500 0.800 0.800 peak 110 spectrum 1 weight 0.11000E+01 volume 0.49814E-02 ppm1 0.624 ppm2 0.425 CV 1 ASSI { 111} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 181 and name HG11)) 3.300 1.400 1.400 peak 111 spectrum 1 weight 0.11000E+01 volume 0.46363E-02 ppm1 0.627 ppm2 0.810 CV 1 ASSI { 112} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 181 and name HG2%) 3.500 1.600 1.600 peak 112 spectrum 1 weight 0.11000E+01 volume 0.20997E-02 ppm1 0.624 ppm2 0.249 CV 1 ASSI { 113} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 181 and name HN )) 3.900 1.900 1.900 peak 113 spectrum 1 weight 0.11000E+01 volume 0.25335E-02 ppm1 0.625 ppm2 8.652 CV 1 ASSI { 115} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 184 and name HB1 )) 4.000 2.000 2.000 peak 115 spectrum 1 weight 0.11000E+01 volume 0.80628E-03 ppm1 0.626 ppm2 1.950 CV 1 ASSI { 116} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 185 and name HA )) 4.800 2.800 1.200 peak 116 spectrum 1 weight 0.11000E+01 volume 0.33192E-03 ppm1 0.617 ppm2 4.031 CV 1 ASSI { 117} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 185 and name HB2 )) 3.300 1.400 1.400 peak 117 spectrum 1 weight 0.11000E+01 volume 0.10983E-02 ppm1 0.625 ppm2 2.116 CV 1 OR { 117} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 185 and name HB1 )) ASSI { 118} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 185 and name HN )) 3.800 1.800 1.800 peak 118 spectrum 1 weight 0.11000E+01 volume 0.89295E-03 ppm1 0.617 ppm2 8.319 CV 1 ASSI { 119} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 184 and name HB2 )) 4.000 2.000 2.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.92861E-03 ppm1 0.519 ppm2 1.872 CV 1 ASSI { 123} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name HA )) 2.500 0.800 0.800 peak 123 spectrum 1 weight 0.11000E+01 volume 0.66574E-02 ppm1 0.521 ppm2 4.344 CV 1 ASSI { 124} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name HB1 )) 2.500 0.800 0.800 peak 124 spectrum 1 weight 0.11000E+01 volume 0.68022E-02 ppm1 0.520 ppm2 1.559 CV 1 ASSI { 125} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name HB2 )) 2.500 0.800 0.800 peak 125 spectrum 1 weight 0.11000E+01 volume 0.72976E-02 ppm1 0.522 ppm2 1.503 CV 1 ASSI { 126} ( segid " " and resid 124 and name HD2%) ( segid " " and resid 124 and name HD1%) 2.100 0.500 0.500 peak 126 spectrum 1 weight 0.11000E+01 volume 0.17077E-01 ppm1 0.521 ppm2 0.635 CV 1 ASSI { 128} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 127 and name HB1 )) 3.900 1.900 1.900 peak 128 spectrum 1 weight 0.11000E+01 volume 0.95606E-03 ppm1 0.521 ppm2 2.894 CV 1 ASSI { 129} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 127 and name HB2 )) 3.700 1.700 1.700 peak 129 spectrum 1 weight 0.11000E+01 volume 0.75811E-03 ppm1 0.521 ppm2 2.941 CV 1 ASSI { 130} ( segid " " and resid 124 and name HD2%) ( segid " " and resid 127 and name HD% ) 3.400 3.400 2.600 peak 130 spectrum 1 weight 0.11000E+01 volume 0.15820E-02 ppm1 0.519 ppm2 6.848 CV 1 ASSI { 131} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 127 and name HN )) 4.600 2.700 1.400 peak 131 spectrum 1 weight 0.11000E+01 volume 0.34717E-03 ppm1 0.521 ppm2 7.747 CV 1 ASSI { 133} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 181 and name HG11)) 3.800 1.800 1.800 peak 133 spectrum 1 weight 0.11000E+01 volume 0.21604E-02 ppm1 0.521 ppm2 0.838 CV 1 ASSI { 134} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 181 and name HN )) 3.400 1.500 1.500 peak 134 spectrum 1 weight 0.11000E+01 volume 0.60757E-02 ppm1 0.524 ppm2 8.680 CV 1 ASSI { 135} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 184 and name HB1 )) 3.900 1.900 1.900 peak 135 spectrum 1 weight 0.11000E+01 volume 0.10185E-02 ppm1 0.520 ppm2 1.969 CV 1 ASSI { 136} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 185 and name HB2 )) 3.300 1.400 1.400 peak 136 spectrum 1 weight 0.11000E+01 volume 0.13926E-02 ppm1 0.522 ppm2 2.104 CV 1 OR { 136} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 185 and name HB1 )) ASSI { 137} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 185 and name HN )) 3.700 1.700 1.700 peak 137 spectrum 1 weight 0.11000E+01 volume 0.88946E-03 ppm1 0.524 ppm2 8.339 CV 1 ASSI { 139} (( segid " " and resid 124 and name HG )) (( segid " " and resid 124 and name HA )) 3.500 1.600 1.600 peak 139 spectrum 1 weight 0.11000E+01 volume 0.93092E-03 ppm1 1.463 ppm2 4.339 CV 1 ASSI { 140} (( segid " " and resid 124 and name HG )) ( segid " " and resid 124 and name HD2%) 2.800 1.000 1.000 peak 140 spectrum 1 weight 0.11000E+01 volume 0.19998E-02 ppm1 1.467 ppm2 0.522 CV 1 ASSI { 141} (( segid " " and resid 124 and name HG )) (( segid " " and resid 181 and name HG11)) 4.300 2.400 1.700 peak 141 spectrum 1 weight 0.11000E+01 volume 0.12014E-02 ppm1 1.467 ppm2 0.816 CV 1 ASSI { 142} (( segid " " and resid 124 and name HG )) (( segid " " and resid 185 and name HE22)) 4.400 2.400 1.600 peak 142 spectrum 1 weight 0.11000E+01 volume 0.37579E-03 ppm1 1.468 ppm2 6.819 CV 1 ASSI { 144} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB1 )) 2.800 1.000 1.000 peak 144 spectrum 1 weight 0.11000E+01 volume 0.18707E-02 ppm1 4.410 ppm2 2.873 CV 1 ASSI { 145} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB2 )) 3.300 1.300 1.300 peak 145 spectrum 1 weight 0.11000E+01 volume 0.15458E-02 ppm1 4.411 ppm2 2.941 CV 1 ASSI { 146} (( segid " " and resid 127 and name HA )) ( segid " " and resid 127 and name HD% ) 3.100 1.200 1.200 peak 146 spectrum 1 weight 0.11000E+01 volume 0.13297E-02 ppm1 4.409 ppm2 6.858 CV 1 ASSI { 147} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HB2 )) 4.700 2.700 1.300 peak 147 spectrum 1 weight 0.11000E+01 volume 0.64280E-03 ppm1 4.409 ppm2 1.021 CV 1 ASSI { 149} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HG1 )) 5.000 3.100 1.000 peak 149 spectrum 1 weight 0.11000E+01 volume 0.63441E-03 ppm1 4.408 ppm2 2.169 CV 1 ASSI { 150} (( segid " " and resid 127 and name HA )) (( segid " " and resid 163 and name HA )) 3.000 1.100 1.100 peak 150 spectrum 1 weight 0.11000E+01 volume 0.15150E-02 ppm1 4.413 ppm2 4.656 CV 1 ASSI { 151} (( segid " " and resid 127 and name HA )) (( segid " " and resid 163 and name HG1 )) 4.400 2.400 1.600 peak 151 spectrum 1 weight 0.11000E+01 volume 0.60035E-03 ppm1 4.415 ppm2 1.684 CV 1 ASSI { 152} (( segid " " and resid 127 and name HA )) ( segid " " and resid 128 and name HE% ) 5.300 3.500 0.700 peak 152 spectrum 1 weight 0.11000E+01 volume 0.65548E-03 ppm1 4.408 ppm2 1.989 CV 1 ASSI { 155} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 127 and name HD% ) 3.500 1.600 1.600 peak 155 spectrum 1 weight 0.11000E+01 volume 0.69024E-03 ppm1 2.852 ppm2 6.851 CV 1 ASSI { 156} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 161 and name HB1 )) 3.800 1.800 1.800 peak 156 spectrum 1 weight 0.11000E+01 volume 0.58606E-03 ppm1 2.857 ppm2 2.565 CV 1 ASSI { 157} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 161 and name HB2 )) 3.500 1.500 1.500 peak 157 spectrum 1 weight 0.11000E+01 volume 0.18336E-02 ppm1 2.862 ppm2 2.624 CV 1 ASSI { 158} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 163 and name HA )) 3.400 1.500 1.500 peak 158 spectrum 1 weight 0.11000E+01 volume 0.95164E-03 ppm1 2.859 ppm2 4.637 CV 1 ASSI { 160} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 127 and name HD% ) 3.400 1.500 1.500 peak 160 spectrum 1 weight 0.11000E+01 volume 0.75734E-03 ppm1 2.937 ppm2 6.863 CV 1 ASSI { 161} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 161 and name HB1 )) 3.200 1.300 1.300 peak 161 spectrum 1 weight 0.11000E+01 volume 0.80861E-03 ppm1 2.930 ppm2 2.565 CV 1 ASSI { 162} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 161 and name HB2 )) 3.100 1.200 1.200 peak 162 spectrum 1 weight 0.11000E+01 volume 0.24318E-02 ppm1 2.930 ppm2 2.634 CV 1 ASSI { 163} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB2 )) 2.900 1.000 1.000 peak 163 spectrum 1 weight 0.11000E+01 volume 0.20083E-02 ppm1 4.495 ppm2 1.023 CV 1 ASSI { 165} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HB1 )) 3.700 3.700 2.300 peak 165 spectrum 1 weight 0.11000E+01 volume 0.27461E-02 ppm1 4.500 ppm2 1.596 CV 1 ASSI { 166} (( segid " " and resid 128 and name HA )) ( segid " " and resid 129 and name HD2%) 3.700 3.700 2.300 peak 166 spectrum 1 weight 0.11000E+01 volume 0.22250E-02 ppm1 4.529 ppm2 -0.026 CV 1 ASSI { 167} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HN )) 3.700 1.700 1.700 peak 167 spectrum 1 weight 0.11000E+01 volume 0.31030E-03 ppm1 4.492 ppm2 8.051 CV 1 ASSI { 168} (( segid " " and resid 128 and name HA )) (( segid " " and resid 131 and name HN )) 4.300 2.400 1.700 peak 168 spectrum 1 weight 0.11000E+01 volume 0.62373E-03 ppm1 4.492 ppm2 8.314 CV 1 ASSI { 170} (( segid " " and resid 128 and name HA )) ( segid " " and resid 162 and name HE% ) 5.300 5.300 0.700 peak 170 spectrum 1 weight 0.11000E+01 volume 0.36473E-03 ppm1 4.514 ppm2 6.507 CV 1 ASSI { 171} (( segid " " and resid 128 and name HA )) (( segid " " and resid 163 and name HA )) 4.200 2.200 1.800 peak 171 spectrum 1 weight 0.11000E+01 volume 0.81623E-03 ppm1 4.501 ppm2 4.671 CV 1 ASSI { 172} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HA )) 3.200 1.200 1.200 peak 172 spectrum 1 weight 0.11000E+01 volume 0.13353E-02 ppm1 1.592 ppm2 4.499 CV 1 ASSI { 173} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HB2 )) 2.000 0.500 0.500 peak 173 spectrum 1 weight 0.11000E+01 volume 0.40722E-02 ppm1 1.595 ppm2 1.030 CV 1 ASSI { 178} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 128 and name HE% ) 4.400 4.400 1.600 peak 178 spectrum 1 weight 0.11000E+01 volume 0.39177E-03 ppm1 1.032 ppm2 1.965 CV 1 ASSI { 179} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HG1 )) 2.800 1.000 1.000 peak 179 spectrum 1 weight 0.11000E+01 volume 0.14704E-02 ppm1 1.031 ppm2 2.213 CV 1 ASSI { 181} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 227 and name HG2 )) 2.700 2.700 3.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.11048E-01 ppm1 1.972 ppm2 1.818 CV 1 OR { 181} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 227 and name HB2 )) ASSI { 183} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 127 and name HB1 )) 4.200 2.300 1.800 peak 183 spectrum 1 weight 0.11000E+01 volume 0.79122E-03 ppm1 1.972 ppm2 2.853 CV 1 ASSI { 184} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 128 and name HA )) 3.800 1.800 1.800 peak 184 spectrum 1 weight 0.11000E+01 volume 0.24088E-02 ppm1 1.972 ppm2 4.495 CV 1 ASSI { 185} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 128 and name HB1 )) 2.300 0.600 0.600 peak 185 spectrum 1 weight 0.11000E+01 volume 0.48336E-02 ppm1 1.973 ppm2 1.581 CV 1 ASSI { 187} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 128 and name HG1 )) 2.800 2.800 3.200 peak 187 spectrum 1 weight 0.11000E+01 volume 0.35265E-02 ppm1 1.973 ppm2 2.266 CV 1 ASSI { 188} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 129 and name HA )) 3.600 3.600 2.400 peak 188 spectrum 1 weight 0.11000E+01 volume 0.24088E-02 ppm1 1.972 ppm2 4.485 CV 1 ASSI { 189} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 129 and name HG )) 4.000 2.000 2.000 peak 189 spectrum 1 weight 0.11000E+01 volume 0.13857E-02 ppm1 1.970 ppm2 1.368 CV 1 ASSI { 190} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 131 and name HB2 )) 3.500 1.500 1.500 peak 190 spectrum 1 weight 0.11000E+01 volume 0.92565E-03 ppm1 1.974 ppm2 3.955 CV 1 ASSI { 191} ( segid " " and resid 128 and name HE% ) ( segid " " and resid 162 and name HD% ) 3.700 1.700 1.700 peak 191 spectrum 1 weight 0.11000E+01 volume 0.11868E-02 ppm1 1.974 ppm2 7.189 CV 1 ASSI { 192} ( segid " " and resid 128 and name HE% ) ( segid " " and resid 162 and name HE% ) 2.800 1.000 1.000 peak 192 spectrum 1 weight 0.11000E+01 volume 0.21611E-02 ppm1 1.974 ppm2 6.511 CV 1 ASSI { 193} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 163 and name HA )) 3.800 1.800 1.800 peak 193 spectrum 1 weight 0.11000E+01 volume 0.17210E-02 ppm1 1.972 ppm2 4.671 CV 1 ASSI { 194} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 163 and name HG1 )) 3.600 3.600 2.400 peak 194 spectrum 1 weight 0.11000E+01 volume 0.39305E-02 ppm1 1.975 ppm2 1.632 CV 1 ASSI { 195} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 164 and name HA )) 3.500 1.500 1.500 peak 195 spectrum 1 weight 0.11000E+01 volume 0.34127E-02 ppm1 1.974 ppm2 4.596 CV 1 ASSI { 196} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 164 and name HB2 )) 4.100 2.100 1.900 peak 196 spectrum 1 weight 0.11000E+01 volume 0.14484E-02 ppm1 1.975 ppm2 2.511 CV 1 ASSI { 197} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 164 and name HD1 )) 4.000 2.000 2.000 peak 197 spectrum 1 weight 0.11000E+01 volume 0.11499E-02 ppm1 1.972 ppm2 3.411 CV 1 ASSI { 198} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 164 and name HD2 )) 4.400 2.400 1.600 peak 198 spectrum 1 weight 0.11000E+01 volume 0.17553E-02 ppm1 1.973 ppm2 3.670 CV 1 ASSI { 199} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 128 and name HG2 )) 2.500 2.500 3.500 peak 199 spectrum 1 weight 0.11000E+01 volume 0.12905E-01 ppm1 1.973 ppm2 2.148 CV 1 ASSI { 200} ( segid " " and resid 128 and name HE% ) ( segid " " and resid 165 and name HG1%) 4.500 2.500 1.500 peak 200 spectrum 1 weight 0.11000E+01 volume 0.11175E-02 ppm1 1.972 ppm2 0.811 CV 1 ASSI { 203} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 130 and name HA2 )) 3.200 1.300 1.300 peak 203 spectrum 1 weight 0.10000E+01 volume 0.82355E-03 ppm1 1.973 ppm2 4.093 CV 1 ASSI { 204} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 162 and name HB2 )) 4.600 2.600 1.400 peak 204 spectrum 1 weight 0.11000E+01 volume 0.72490E-03 ppm1 1.973 ppm2 2.748 CV 1 ASSI { 206} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HA )) 3.400 1.400 1.400 peak 206 spectrum 1 weight 0.11000E+01 volume 0.27516E-02 ppm1 2.210 ppm2 4.497 CV 1 ASSI { 207} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HB1 )) 2.900 1.100 1.100 peak 207 spectrum 1 weight 0.11000E+01 volume 0.27944E-02 ppm1 2.207 ppm2 1.593 CV 1 ASSI { 210} (( segid " " and resid 128 and name HG1 )) ( segid " " and resid 162 and name HE% ) 4.800 2.800 1.200 peak 210 spectrum 1 weight 0.11000E+01 volume 0.42092E-03 ppm1 2.223 ppm2 6.532 CV 1 ASSI { 211} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 164 and name HD1 )) 3.800 1.900 1.900 peak 211 spectrum 1 weight 0.11000E+01 volume 0.53308E-03 ppm1 2.204 ppm2 3.415 CV 1 ASSI { 212} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 164 and name HD2 )) 4.600 2.600 1.400 peak 212 spectrum 1 weight 0.11000E+01 volume 0.60308E-03 ppm1 2.204 ppm2 3.660 CV 1 ASSI { 213} (( segid " " and resid 129 and name HA )) (( segid " " and resid 128 and name HG2 )) 4.900 3.000 1.100 peak 213 spectrum 1 weight 0.11000E+01 volume 0.31143E-03 ppm1 4.525 ppm2 1.998 CV 1 ASSI { 214} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB1 )) 3.200 1.200 1.200 peak 214 spectrum 1 weight 0.11000E+01 volume 0.12318E-02 ppm1 4.522 ppm2 1.593 CV 1 ASSI { 215} (( segid " " and resid 129 and name HA )) ( segid " " and resid 129 and name HD1%) 4.400 2.400 1.600 peak 215 spectrum 1 weight 0.11000E+01 volume 0.10480E-02 ppm1 4.522 ppm2 0.602 CV 1 ASSI { 217} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HG )) 4.200 2.200 1.800 peak 217 spectrum 1 weight 0.11000E+01 volume 0.62967E-03 ppm1 4.525 ppm2 1.388 CV 1 ASSI { 218} (( segid " " and resid 129 and name HA )) (( segid " " and resid 131 and name HN )) 3.500 1.600 1.600 peak 218 spectrum 1 weight 0.11000E+01 volume 0.19920E-02 ppm1 4.528 ppm2 8.353 CV 1 ASSI { 219} (( segid " " and resid 129 and name HA )) (( segid " " and resid 161 and name HA )) 2.900 1.100 1.100 peak 219 spectrum 1 weight 0.11000E+01 volume 0.12160E-02 ppm1 4.528 ppm2 5.585 CV 1 ASSI { 220} (( segid " " and resid 129 and name HA )) ( segid " " and resid 161 and name HD% ) 3.800 1.800 1.800 peak 220 spectrum 1 weight 0.11000E+01 volume 0.43401E-03 ppm1 4.542 ppm2 6.916 CV 1 ASSI { 221} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 159 and name HE21)) 5.000 3.100 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.35440E-03 ppm1 1.613 ppm2 6.786 CV 1 ASSI { 223} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HB2 )) 2.200 0.600 0.600 peak 223 spectrum 1 weight 0.11000E+01 volume 0.27761E-02 ppm1 1.611 ppm2 0.996 CV 1 ASSI { 226} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HG )) 3.300 1.400 1.400 peak 226 spectrum 1 weight 0.11000E+01 volume 0.14688E-02 ppm1 1.614 ppm2 1.420 CV 1 ASSI { 227} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 159 and name HE21)) 3.400 1.400 1.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.31771E-03 ppm1 1.002 ppm2 6.796 CV 1 ASSI { 228} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HA )) 3.200 1.300 1.300 peak 228 spectrum 1 weight 0.11000E+01 volume 0.76591E-03 ppm1 0.994 ppm2 4.527 CV 1 ASSI { 232} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HG )) 2.900 1.100 1.100 peak 232 spectrum 1 weight 0.11000E+01 volume 0.10525E-02 ppm1 0.999 ppm2 1.390 CV 1 ASSI { 233} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 128 and name HE% ) 4.200 2.200 1.800 peak 233 spectrum 1 weight 0.11000E+01 volume 0.11788E-02 ppm1 0.608 ppm2 1.988 CV 1 ASSI { 235} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HB1 )) 2.500 0.800 0.800 peak 235 spectrum 1 weight 0.11000E+01 volume 0.46410E-02 ppm1 0.609 ppm2 1.617 CV 1 ASSI { 236} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HB2 )) 2.900 1.000 1.000 peak 236 spectrum 1 weight 0.11000E+01 volume 0.39586E-02 ppm1 0.610 ppm2 0.996 CV 1 ASSI { 237} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 129 and name HD2%) 2.400 0.700 0.700 peak 237 spectrum 1 weight 0.11000E+01 volume 0.81851E-02 ppm1 0.609 ppm2 -0.006 CV 1 ASSI { 238} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HG )) 2.300 0.700 0.700 peak 238 spectrum 1 weight 0.11000E+01 volume 0.72047E-02 ppm1 0.609 ppm2 1.410 CV 1 ASSI { 239} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 159 and name HB2 )) 4.500 2.500 1.500 peak 239 spectrum 1 weight 0.11000E+01 volume 0.55082E-03 ppm1 0.607 ppm2 2.135 CV 1 ASSI { 240} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 159 and name HE21)) 3.600 1.700 1.700 peak 240 spectrum 1 weight 0.11000E+01 volume 0.74277E-03 ppm1 0.608 ppm2 6.773 CV 1 ASSI { 241} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 160 and name HN )) 4.200 2.200 1.800 peak 241 spectrum 1 weight 0.11000E+01 volume 0.90896E-03 ppm1 0.612 ppm2 8.509 CV 1 ASSI { 242} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 161 and name HA )) 5.500 3.700 0.500 peak 242 spectrum 1 weight 0.11000E+01 volume 0.40280E-03 ppm1 0.608 ppm2 5.589 CV 1 ASSI { 243} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 159 and name HB1 )) 4.200 2.200 1.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.10467E-02 ppm1 0.606 ppm2 2.057 CV 1 ASSI { 248} (( segid " " and resid 129 and name HG )) (( segid " " and resid 159 and name HA )) 4.400 2.400 1.600 peak 248 spectrum 1 weight 0.11000E+01 volume 0.36430E-03 ppm1 1.412 ppm2 4.560 CV 1 ASSI { 249} (( segid " " and resid 129 and name HG )) (( segid " " and resid 159 and name HE21)) 2.900 1.100 1.100 peak 249 spectrum 1 weight 0.11000E+01 volume 0.17145E-02 ppm1 1.412 ppm2 6.752 CV 1 ASSI { 250} (( segid " " and resid 130 and name HA1 )) (( segid " " and resid 130 and name HA2 )) 2.000 0.500 0.500 peak 250 spectrum 1 weight 0.11000E+01 volume 0.24401E-02 ppm1 4.418 ppm2 4.145 CV 1 ASSI { 251} (( segid " " and resid 130 and name HA1 )) ( segid " " and resid 162 and name HE% ) 3.900 3.900 2.100 peak 251 spectrum 1 weight 0.11000E+01 volume 0.91357E-03 ppm1 4.423 ppm2 6.506 CV 1 ASSI { 253} (( segid " " and resid 130 and name HA2 )) ( segid " " and resid 162 and name HE% ) 2.700 2.700 3.300 peak 253 spectrum 1 weight 0.11000E+01 volume 0.67258E-03 ppm1 4.147 ppm2 6.504 CV 1 ASSI { 254} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB1 )) 2.500 0.800 0.800 peak 254 spectrum 1 weight 0.11000E+01 volume 0.62679E-02 ppm1 4.405 ppm2 3.931 CV 1 ASSI { 255} (( segid " " and resid 131 and name HA )) (( segid " " and resid 133 and name HA )) 4.500 2.500 1.500 peak 255 spectrum 1 weight 0.11000E+01 volume 0.53633E-03 ppm1 4.410 ppm2 4.754 CV 1 ASSI { 256} (( segid " " and resid 131 and name HA )) (( segid " " and resid 159 and name HA )) 3.700 3.700 2.300 peak 256 spectrum 1 weight 0.11000E+01 volume 0.16832E-02 ppm1 4.408 ppm2 4.607 CV 1 ASSI { 257} (( segid " " and resid 131 and name HA )) (( segid " " and resid 159 and name HB2 )) 4.600 2.700 1.400 peak 257 spectrum 1 weight 0.11000E+01 volume 0.56258E-03 ppm1 4.408 ppm2 2.165 CV 1 ASSI { 259} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HA )) 2.500 0.800 0.800 peak 259 spectrum 1 weight 0.11000E+01 volume 0.47688E-02 ppm1 3.964 ppm2 4.412 CV 1 ASSI { 261} (( segid " " and resid 132 and name HA )) (( segid " " and resid 159 and name HA )) 3.100 1.200 1.200 peak 261 spectrum 1 weight 0.11000E+01 volume 0.15517E-02 ppm1 4.392 ppm2 4.544 CV 1 ASSI { 262} (( segid " " and resid 132 and name HA )) (( segid " " and resid 129 and name HB1 )) 5.000 5.000 1.000 peak 262 spectrum 1 weight 0.11000E+01 volume 0.73726E-03 ppm1 4.388 ppm2 1.670 CV 1 ASSI { 264} (( segid " " and resid 132 and name HA )) (( segid " " and resid 133 and name HG1 )) 4.200 2.200 1.800 peak 264 spectrum 1 weight 0.11000E+01 volume 0.44826E-03 ppm1 4.380 ppm2 2.462 CV 1 ASSI { 266} (( segid " " and resid 132 and name HA )) (( segid " " and resid 158 and name HA )) 4.300 2.300 1.700 peak 266 spectrum 1 weight 0.11000E+01 volume 0.46235E-03 ppm1 4.391 ppm2 4.705 CV 1 ASSI { 268} (( segid " " and resid 132 and name HA )) (( segid " " and resid 159 and name HB1 )) 2.400 0.700 0.700 peak 268 spectrum 1 weight 0.11000E+01 volume 0.27190E-02 ppm1 4.381 ppm2 2.016 CV 1 ASSI { 269} (( segid " " and resid 132 and name HA )) (( segid " " and resid 159 and name HB2 )) 3.400 1.400 1.400 peak 269 spectrum 1 weight 0.11000E+01 volume 0.22964E-02 ppm1 4.388 ppm2 2.121 CV 1 ASSI { 270} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 129 and name HB2 )) 4.300 2.300 1.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.99488E-03 ppm1 1.266 ppm2 0.968 CV 1 ASSI { 271} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 129 and name HB1 )) 4.500 2.600 1.500 peak 271 spectrum 1 weight 0.11000E+01 volume 0.98091E-03 ppm1 1.264 ppm2 1.647 CV 1 ASSI { 272} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 129 and name HG )) 3.200 1.300 1.300 peak 272 spectrum 1 weight 0.11000E+01 volume 0.29045E-02 ppm1 1.262 ppm2 1.417 CV 1 ASSI { 273} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 131 and name HB2 )) 4.200 2.200 1.800 peak 273 spectrum 1 weight 0.11000E+01 volume 0.64335E-03 ppm1 1.268 ppm2 3.940 CV 1 ASSI { 274} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 132 and name HA )) 2.300 0.600 0.600 peak 274 spectrum 1 weight 0.11000E+01 volume 0.92097E-02 ppm1 1.265 ppm2 4.391 CV 1 ASSI { 276} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 133 and name HA )) 4.400 2.400 1.600 peak 276 spectrum 1 weight 0.11000E+01 volume 0.63493E-03 ppm1 1.266 ppm2 4.723 CV 1 ASSI { 278} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 158 and name HB1 )) 4.200 2.200 1.800 peak 278 spectrum 1 weight 0.11000E+01 volume 0.68837E-03 ppm1 1.263 ppm2 2.442 CV 1 ASSI { 279} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 158 and name HB2 )) 4.000 2.000 2.000 peak 279 spectrum 1 weight 0.11000E+01 volume 0.39599E-03 ppm1 1.269 ppm2 3.639 CV 1 ASSI { 280} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 159 and name HA )) 4.600 2.600 1.400 peak 280 spectrum 1 weight 0.11000E+01 volume 0.70305E-03 ppm1 1.259 ppm2 4.573 CV 1 ASSI { 281} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 159 and name HB1 )) 3.700 1.700 1.700 peak 281 spectrum 1 weight 0.11000E+01 volume 0.20940E-02 ppm1 1.263 ppm2 2.008 CV 1 ASSI { 282} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 159 and name HB2 )) 4.200 2.200 1.800 peak 282 spectrum 1 weight 0.11000E+01 volume 0.20231E-02 ppm1 1.265 ppm2 2.105 CV 1 ASSI { 283} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB1 )) 2.400 0.700 0.700 peak 283 spectrum 1 weight 0.11000E+01 volume 0.32459E-02 ppm1 4.747 ppm2 2.106 CV 1 ASSI { 284} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HG2 )) 2.800 1.000 1.000 peak 284 spectrum 1 weight 0.11000E+01 volume 0.15286E-02 ppm1 4.742 ppm2 2.497 CV 1 ASSI { 285} (( segid " " and resid 133 and name HA )) (( segid " " and resid 159 and name HB1 )) 3.900 3.900 2.100 peak 285 spectrum 1 weight 0.11000E+01 volume 0.25251E-02 ppm1 4.747 ppm2 2.008 CV 1 ASSI { 288} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 158 and name HA )) 3.500 1.600 1.600 peak 288 spectrum 1 weight 0.11000E+01 volume 0.14569E-02 ppm1 2.069 ppm2 4.741 CV 1 ASSI { 289} (( segid " " and resid 133 and name HB1 )) ( segid " " and resid 212 and name HE% ) 2.700 0.900 0.900 peak 289 spectrum 1 weight 0.11000E+01 volume 0.39806E-02 ppm1 2.068 ppm2 2.174 CV 1 ASSI { 290} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 212 and name HG2 )) 3.100 1.200 1.200 peak 290 spectrum 1 weight 0.11000E+01 volume 0.20416E-02 ppm1 2.068 ppm2 2.487 CV 1 ASSI { 295} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 132 and name HB% ) 3.600 1.600 1.600 peak 295 spectrum 1 weight 0.11000E+01 volume 0.99397E-03 ppm1 1.949 ppm2 1.292 CV 1 ASSI { 296} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HA )) 3.300 1.300 1.300 peak 296 spectrum 1 weight 0.11000E+01 volume 0.13584E-02 ppm1 1.958 ppm2 4.742 CV 1 ASSI { 298} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 136 and name HG2 )) 3.300 3.300 2.700 peak 298 spectrum 1 weight 0.11000E+01 volume 0.68327E-02 ppm1 1.953 ppm2 2.047 CV 1 ASSI { 299} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 158 and name HA )) 2.800 1.000 1.000 peak 299 spectrum 1 weight 0.11000E+01 volume 0.14501E-02 ppm1 1.952 ppm2 4.753 CV 1 ASSI { 300} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 158 and name HB1 )) 3.500 1.500 1.500 peak 300 spectrum 1 weight 0.11000E+01 volume 0.13791E-02 ppm1 1.955 ppm2 2.428 CV 1 ASSI { 301} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 158 and name HB2 )) 3.100 1.200 1.200 peak 301 spectrum 1 weight 0.11000E+01 volume 0.51812E-03 ppm1 1.948 ppm2 3.632 CV 1 ASSI { 303} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 212 and name HE% ) 3.900 1.900 1.900 peak 303 spectrum 1 weight 0.11000E+01 volume 0.24602E-02 ppm1 1.955 ppm2 2.184 CV 1 ASSI { 304} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 212 and name HG2 )) 3.900 1.900 1.900 peak 304 spectrum 1 weight 0.11000E+01 volume 0.15702E-02 ppm1 1.955 ppm2 2.487 CV 1 ASSI { 306} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 133 and name HG2 )) 2.400 0.700 0.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.44296E-02 ppm1 1.892 ppm2 2.570 CV 1 ASSI { 308} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 132 and name HA )) 3.400 3.400 2.600 peak 308 spectrum 1 weight 0.11000E+01 volume 0.32569E-02 ppm1 1.896 ppm2 4.381 CV 1 ASSI { 309} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 133 and name HA )) 3.200 1.300 1.300 peak 309 spectrum 1 weight 0.11000E+01 volume 0.59187E-02 ppm1 1.895 ppm2 4.713 CV 1 ASSI { 310} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 133 and name HG1 )) 2.800 1.000 1.000 peak 310 spectrum 1 weight 0.11000E+01 volume 0.59250E-02 ppm1 1.894 ppm2 2.414 CV 1 ASSI { 311} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 135 and name HA )) 3.200 1.200 1.200 peak 311 spectrum 1 weight 0.11000E+01 volume 0.32569E-02 ppm1 1.896 ppm2 4.381 CV 1 ASSI { 312} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 135 and name HD1 )) 3.800 3.800 2.200 peak 312 spectrum 1 weight 0.11000E+01 volume 0.15512E-02 ppm1 1.894 ppm2 3.068 CV 1 ASSI { 313} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 135 and name HD2 )) 3.900 3.900 2.100 peak 313 spectrum 1 weight 0.11000E+01 volume 0.16641E-02 ppm1 1.892 ppm2 3.176 CV 1 ASSI { 314} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 136 and name HD1 )) 3.100 1.200 1.200 peak 314 spectrum 1 weight 0.11000E+01 volume 0.15678E-02 ppm1 1.892 ppm2 3.806 CV 1 ASSI { 315} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 136 and name HD2 )) 1.900 0.500 0.500 peak 315 spectrum 1 weight 0.11000E+01 volume 0.83090E-02 ppm1 1.895 ppm2 3.651 CV 1 ASSI { 316} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 136 and name HG2 )) 2.300 0.700 0.700 peak 316 spectrum 1 weight 0.11000E+01 volume 0.10559E-01 ppm1 1.894 ppm2 2.052 CV 1 ASSI { 317} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 137 and name HA )) 3.900 1.900 1.900 peak 317 spectrum 1 weight 0.11000E+01 volume 0.21842E-02 ppm1 1.894 ppm2 4.544 CV 1 ASSI { 318} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 137 and name HB1 )) 3.000 3.000 3.000 peak 318 spectrum 1 weight 0.11000E+01 volume 0.11105E-01 ppm1 1.894 ppm2 1.730 CV 1 ASSI { 319} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 211 and name HN )) 4.900 3.000 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.50368E-03 ppm1 1.895 ppm2 7.259 CV 1 ASSI { 320} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 158 and name HA )) 2.200 0.600 0.600 peak 320 spectrum 1 weight 0.11000E+01 volume 0.59187E-02 ppm1 1.895 ppm2 4.713 CV 1 ASSI { 321} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 158 and name HB2 )) 2.800 1.000 1.000 peak 321 spectrum 1 weight 0.11000E+01 volume 0.83090E-02 ppm1 1.895 ppm2 3.651 CV 1 ASSI { 322} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 159 and name HA )) 3.700 1.700 1.700 peak 322 spectrum 1 weight 0.11000E+01 volume 0.21423E-02 ppm1 1.897 ppm2 4.588 CV 1 ASSI { 323} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 159 and name HG2 )) 3.100 3.100 2.900 peak 323 spectrum 1 weight 0.11000E+01 volume 0.49356E-02 ppm1 1.894 ppm2 2.360 CV 1 OR { 323} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 159 and name HG1 )) ASSI { 324} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 160 and name HA )) 3.700 3.700 2.300 peak 324 spectrum 1 weight 0.11000E+01 volume 0.11866E-02 ppm1 1.897 ppm2 4.932 CV 1 ASSI { 326} ( segid " " and resid 133 and name HE% ) ( segid " " and resid 160 and name HG2%) 3.000 1.100 1.100 peak 326 spectrum 1 weight 0.11000E+01 volume 0.36814E-02 ppm1 1.894 ppm2 0.772 CV 1 ASSI { 327} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 160 and name HN )) 4.500 2.500 1.500 peak 327 spectrum 1 weight 0.11000E+01 volume 0.64440E-03 ppm1 1.894 ppm2 8.546 CV 1 ASSI { 328} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 138 and name HN )) 4.800 2.900 1.200 peak 328 spectrum 1 weight 0.10000E+01 volume 0.56243E-03 ppm1 1.894 ppm2 6.934 CV 1 ASSI { 330} ( segid " " and resid 133 and name HE% ) ( segid " " and resid 208 and name HG1%) 2.200 0.600 0.600 peak 330 spectrum 1 weight 0.11000E+01 volume 0.86205E-02 ppm1 1.892 ppm2 1.075 CV 1 ASSI { 331} ( segid " " and resid 133 and name HE% ) ( segid " " and resid 209 and name HG2%) 2.300 0.700 0.700 peak 331 spectrum 1 weight 0.11000E+01 volume 0.68293E-02 ppm1 1.894 ppm2 1.163 CV 1 ASSI { 332} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 210 and name HN )) 4.500 2.500 1.500 peak 332 spectrum 1 weight 0.11000E+01 volume 0.59024E-03 ppm1 1.898 ppm2 8.147 CV 1 ASSI { 333} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 211 and name HG1 )) 3.100 3.100 2.900 peak 333 spectrum 1 weight 0.11000E+01 volume 0.69190E-02 ppm1 1.894 ppm2 2.461 CV 1 ASSI { 334} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 212 and name HA )) 3.900 1.900 1.900 peak 334 spectrum 1 weight 0.11000E+01 volume 0.19060E-02 ppm1 1.895 ppm2 4.116 CV 1 ASSI { 335} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 212 and name HB2 )) 2.000 0.500 0.500 peak 335 spectrum 1 weight 0.11000E+01 volume 0.46183E-02 ppm1 1.892 ppm2 2.296 CV 1 ASSI { 336} ( segid " " and resid 133 and name HE% ) ( segid " " and resid 212 and name HE% ) 2.200 0.600 0.600 peak 336 spectrum 1 weight 0.11000E+01 volume 0.11732E-01 ppm1 1.894 ppm2 2.185 CV 1 ASSI { 337} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 212 and name HG1 )) 2.800 1.000 1.000 peak 337 spectrum 1 weight 0.11000E+01 volume 0.34972E-02 ppm1 1.895 ppm2 2.726 CV 1 ASSI { 339} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 213 and name HB1 )) 3.800 1.800 1.800 peak 339 spectrum 1 weight 0.11000E+01 volume 0.24401E-02 ppm1 1.892 ppm2 3.547 CV 1 ASSI { 342} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 216 and name HN )) 4.700 4.700 1.300 peak 342 spectrum 1 weight 0.11000E+01 volume 0.82476E-03 ppm1 1.895 ppm2 8.752 CV 1 ASSI { 343} (( segid " " and resid 133 and name HG1 )) ( segid " " and resid 215 and name HG2%) 5.800 4.200 0.200 peak 343 spectrum 1 weight 0.11000E+01 volume 0.47719E-03 ppm1 2.460 ppm2 1.262 CV 1 ASSI { 344} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 133 and name HA )) 3.400 1.400 1.400 peak 344 spectrum 1 weight 0.11000E+01 volume 0.89288E-03 ppm1 2.456 ppm2 4.726 CV 1 ASSI { 345} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 133 and name HB2 )) 2.500 0.800 0.800 peak 345 spectrum 1 weight 0.11000E+01 volume 0.21070E-02 ppm1 2.449 ppm2 1.957 CV 1 ASSI { 346} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 159 and name HA )) 3.100 1.200 1.200 peak 346 spectrum 1 weight 0.11000E+01 volume 0.33894E-03 ppm1 2.451 ppm2 4.568 CV 1 ASSI { 347} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 159 and name HB2 )) 3.800 1.800 1.800 peak 347 spectrum 1 weight 0.11000E+01 volume 0.19303E-02 ppm1 2.453 ppm2 2.137 CV 1 ASSI { 348} (( segid " " and resid 133 and name HG1 )) ( segid " " and resid 212 and name HE% ) 4.100 2.100 1.900 peak 348 spectrum 1 weight 0.11000E+01 volume 0.17860E-02 ppm1 2.451 ppm2 2.184 CV 1 ASSI { 350} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HB2 )) 3.000 1.100 1.100 peak 350 spectrum 1 weight 0.11000E+01 volume 0.21484E-02 ppm1 2.546 ppm2 1.959 CV 1 ASSI { 352} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 159 and name HA )) 5.200 3.300 0.800 peak 352 spectrum 1 weight 0.11000E+01 volume 0.36539E-03 ppm1 2.544 ppm2 4.568 CV 1 ASSI { 353} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 159 and name HB2 )) 4.100 2.100 1.900 peak 353 spectrum 1 weight 0.11000E+01 volume 0.34426E-02 ppm1 2.546 ppm2 2.125 CV 1 ASSI { 354} (( segid " " and resid 133 and name HG2 )) ( segid " " and resid 212 and name HE% ) 2.400 0.700 0.700 peak 354 spectrum 1 weight 0.11000E+01 volume 0.25095E-02 ppm1 2.544 ppm2 2.184 CV 1 ASSI { 355} (( segid " " and resid 134 and name HA )) (( segid " " and resid 133 and name HA )) 4.100 2.200 1.900 peak 355 spectrum 1 weight 0.11000E+01 volume 0.54510E-03 ppm1 4.344 ppm2 4.715 CV 1 ASSI { 356} (( segid " " and resid 134 and name HA )) ( segid " " and resid 133 and name HE% ) 5.000 3.100 1.000 peak 356 spectrum 1 weight 0.11000E+01 volume 0.55077E-03 ppm1 4.344 ppm2 1.901 CV 1 ASSI { 357} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB2 )) 2.600 0.800 0.800 peak 357 spectrum 1 weight 0.11000E+01 volume 0.52889E-02 ppm1 4.344 ppm2 3.792 CV 1 ASSI { 360} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HA )) 2.900 1.000 1.000 peak 360 spectrum 1 weight 0.11000E+01 volume 0.36053E-02 ppm1 3.743 ppm2 4.345 CV 1 ASSI { 361} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 133 and name HA )) 4.200 4.200 1.800 peak 361 spectrum 1 weight 0.11000E+01 volume 0.67959E-03 ppm1 3.837 ppm2 4.777 CV 1 ASSI { 364} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB1 )) 2.900 1.100 1.100 peak 364 spectrum 1 weight 0.11000E+01 volume 0.19070E-02 ppm1 4.389 ppm2 1.839 CV 1 ASSI { 365} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HD2 )) 4.400 2.400 1.600 peak 365 spectrum 1 weight 0.11000E+01 volume 0.20428E-03 ppm1 4.400 ppm2 3.132 CV 1 ASSI { 366} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HD1 )) 3.700 3.700 2.300 peak 366 spectrum 1 weight 0.11000E+01 volume 0.13194E-02 ppm1 4.388 ppm2 3.890 CV 1 ASSI { 367} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HD2 )) 2.500 0.800 0.800 peak 367 spectrum 1 weight 0.11000E+01 volume 0.12718E-02 ppm1 4.387 ppm2 3.641 CV 1 ASSI { 368} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HG2 )) 4.000 2.000 2.000 peak 368 spectrum 1 weight 0.11000E+01 volume 0.71884E-03 ppm1 4.388 ppm2 2.018 CV 1 ASSI { 369} (( segid " " and resid 135 and name HA )) (( segid " " and resid 137 and name HB1 )) 4.200 2.200 1.800 peak 369 spectrum 1 weight 0.11000E+01 volume 0.10123E-02 ppm1 4.386 ppm2 1.686 CV 1 ASSI { 372} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 136 and name HD1 )) 5.200 3.300 0.800 peak 372 spectrum 1 weight 0.11000E+01 volume 0.32654E-03 ppm1 1.865 ppm2 3.845 CV 1 ASSI { 373} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 136 and name HG2 )) 2.800 2.800 3.200 peak 373 spectrum 1 weight 0.11000E+01 volume 0.10182E-01 ppm1 1.884 ppm2 2.054 CV 1 ASSI { 374} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HA )) 3.400 1.500 1.500 peak 374 spectrum 1 weight 0.11000E+01 volume 0.48674E-03 ppm1 1.804 ppm2 4.402 CV 1 ASSI { 375} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HD2 )) 3.900 3.900 2.100 peak 375 spectrum 1 weight 0.11000E+01 volume 0.77636E-03 ppm1 1.806 ppm2 3.084 CV 1 ASSI { 376} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 136 and name HG2 )) 2.800 2.800 3.200 peak 376 spectrum 1 weight 0.11000E+01 volume 0.10822E-01 ppm1 1.810 ppm2 2.063 CV 1 ASSI { 378} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HB1 )) 3.200 1.300 1.300 peak 378 spectrum 1 weight 0.11000E+01 volume 0.24459E-02 ppm1 3.025 ppm2 1.850 CV 1 ASSI { 379} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 136 and name HA )) 4.400 2.500 1.600 peak 379 spectrum 1 weight 0.11000E+01 volume 0.36697E-03 ppm1 3.038 ppm2 4.363 CV 1 ASSI { 380} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 136 and name HD2 )) 4.300 2.300 1.700 peak 380 spectrum 1 weight 0.11000E+01 volume 0.37390E-03 ppm1 3.022 ppm2 3.665 CV 1 ASSI { 381} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 137 and name HB1 )) 4.300 2.400 1.700 peak 381 spectrum 1 weight 0.11000E+01 volume 0.12149E-02 ppm1 3.025 ppm2 1.681 CV 1 ASSI { 383} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HB1 )) 3.100 1.200 1.200 peak 383 spectrum 1 weight 0.11000E+01 volume 0.25962E-02 ppm1 3.147 ppm2 1.850 CV 1 ASSI { 384} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 136 and name HB1 )) 4.800 2.900 1.200 peak 384 spectrum 1 weight 0.11000E+01 volume 0.32642E-03 ppm1 3.155 ppm2 2.213 CV 1 ASSI { 385} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 136 and name HD2 )) 4.500 2.500 1.500 peak 385 spectrum 1 weight 0.11000E+01 volume 0.34265E-03 ppm1 3.147 ppm2 3.650 CV 1 ASSI { 386} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 137 and name HB1 )) 4.000 2.000 2.000 peak 386 spectrum 1 weight 0.11000E+01 volume 0.12927E-02 ppm1 3.147 ppm2 1.681 CV 1 ASSI { 388} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HD1 )) 3.800 1.800 1.800 peak 388 spectrum 1 weight 0.11000E+01 volume 0.39751E-03 ppm1 4.383 ppm2 3.806 CV 1 ASSI { 390} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HG1 )) 3.700 1.700 1.700 peak 390 spectrum 1 weight 0.11000E+01 volume 0.19399E-02 ppm1 4.385 ppm2 1.774 CV 1 ASSI { 391} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HG )) 4.300 2.300 1.700 peak 391 spectrum 1 weight 0.11000E+01 volume 0.44734E-03 ppm1 4.386 ppm2 1.637 CV 1 ASSI { 392} (( segid " " and resid 136 and name HA )) (( segid " " and resid 138 and name HA )) 4.000 2.000 2.000 peak 392 spectrum 1 weight 0.11000E+01 volume 0.63658E-03 ppm1 4.379 ppm2 3.890 CV 1 ASSI { 394} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 136 and name HD1 )) 3.000 3.000 3.000 peak 394 spectrum 1 weight 0.11000E+01 volume 0.11930E-02 ppm1 2.297 ppm2 3.831 CV 1 ASSI { 396} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 137 and name HB2 )) 4.400 4.400 1.600 peak 396 spectrum 1 weight 0.11000E+01 volume 0.65348E-03 ppm1 2.239 ppm2 1.603 CV 1 ASSI { 397} (( segid " " and resid 136 and name HB1 )) ( segid " " and resid 208 and name HG2%) 3.600 1.600 1.600 peak 397 spectrum 1 weight 0.11000E+01 volume 0.45721E-02 ppm1 2.239 ppm2 1.041 CV 1 ASSI { 398} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HA )) 3.100 1.200 1.200 peak 398 spectrum 1 weight 0.11000E+01 volume 0.21726E-02 ppm1 1.770 ppm2 4.389 CV 1 ASSI { 399} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HB1 )) 2.000 0.500 0.500 peak 399 spectrum 1 weight 0.11000E+01 volume 0.40065E-02 ppm1 1.775 ppm2 2.237 CV 1 ASSI { 400} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HD2 )) 4.100 2.100 1.900 peak 400 spectrum 1 weight 0.11000E+01 volume 0.77515E-03 ppm1 1.765 ppm2 3.649 CV 1 ASSI { 402} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 208 and name HA )) 4.900 4.900 1.100 peak 402 spectrum 1 weight 0.11000E+01 volume 0.55742E-03 ppm1 3.824 ppm2 3.434 CV 1 ASSI { 403} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 135 and name HB1 )) 3.600 1.600 1.600 peak 403 spectrum 1 weight 0.11000E+01 volume 0.22679E-02 ppm1 3.634 ppm2 1.842 CV 1 ASSI { 404} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 136 and name HA )) 3.500 1.500 1.500 peak 404 spectrum 1 weight 0.11000E+01 volume 0.16185E-02 ppm1 3.630 ppm2 4.411 CV 1 ASSI { 405} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 136 and name HB1 )) 4.000 2.000 2.000 peak 405 spectrum 1 weight 0.11000E+01 volume 0.84480E-03 ppm1 3.633 ppm2 2.289 CV 1 ASSI { 406} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 136 and name HG2 )) 2.000 0.500 0.500 peak 406 spectrum 1 weight 0.11000E+01 volume 0.72758E-02 ppm1 3.631 ppm2 2.015 CV 1 ASSI { 407} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 208 and name HA )) 4.200 2.200 1.800 peak 407 spectrum 1 weight 0.11000E+01 volume 0.10515E-02 ppm1 3.643 ppm2 3.454 CV 1 ASSI { 408} (( segid " " and resid 136 and name HD2 )) ( segid " " and resid 208 and name HG1%) 4.300 2.300 1.700 peak 408 spectrum 1 weight 0.11000E+01 volume 0.51062E-03 ppm1 3.648 ppm2 1.093 CV 1 ASSI { 410} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HA )) 3.700 1.700 1.700 peak 410 spectrum 1 weight 0.11000E+01 volume 0.15125E-02 ppm1 2.043 ppm2 4.387 CV 1 ASSI { 411} (( segid " " and resid 136 and name HG2 )) ( segid " " and resid 137 and name HD1%) 4.800 2.900 1.200 peak 411 spectrum 1 weight 0.11000E+01 volume 0.61258E-03 ppm1 2.036 ppm2 0.899 CV 1 ASSI { 413} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 138 and name HG11)) 5.000 3.200 1.000 peak 413 spectrum 1 weight 0.11000E+01 volume 0.50703E-03 ppm1 2.014 ppm2 0.705 CV 1 ASSI { 414} (( segid " " and resid 136 and name HG2 )) ( segid " " and resid 208 and name HG1%) 3.000 1.100 1.100 peak 414 spectrum 1 weight 0.11000E+01 volume 0.10782E-02 ppm1 2.041 ppm2 1.102 CV 1 ASSI { 420} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB2 )) 2.800 1.000 1.000 peak 420 spectrum 1 weight 0.11000E+01 volume 0.28538E-02 ppm1 4.561 ppm2 1.544 CV 1 ASSI { 421} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HG )) 2.600 0.900 0.900 peak 421 spectrum 1 weight 0.11000E+01 volume 0.36979E-02 ppm1 4.562 ppm2 1.648 CV 1 ASSI { 422} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HG12)) 3.300 1.400 1.400 peak 422 spectrum 1 weight 0.11000E+01 volume 0.26087E-02 ppm1 4.558 ppm2 0.885 CV 1 ASSI { 423} (( segid " " and resid 137 and name HA )) ( segid " " and resid 149 and name HD% ) 2.800 2.800 3.200 peak 423 spectrum 1 weight 0.11000E+01 volume 0.16925E-02 ppm1 4.558 ppm2 6.939 CV 1 ASSI { 424} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 137 and name HA )) 2.900 1.100 1.100 peak 424 spectrum 1 weight 0.11000E+01 volume 0.15354E-02 ppm1 1.658 ppm2 4.558 CV 1 ASSI { 425} (( segid " " and resid 137 and name HB1 )) ( segid " " and resid 137 and name HD1%) 3.100 1.200 1.200 peak 425 spectrum 1 weight 0.11000E+01 volume 0.18158E-02 ppm1 1.657 ppm2 0.915 CV 1 ASSI { 427} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 137 and name HD1%) 3.100 1.200 1.200 peak 427 spectrum 1 weight 0.11000E+01 volume 0.18226E-02 ppm1 1.525 ppm2 0.907 CV 1 ASSI { 429} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 137 and name HA )) 2.600 0.800 0.800 peak 429 spectrum 1 weight 0.11000E+01 volume 0.26957E-02 ppm1 0.868 ppm2 4.552 CV 1 ASSI { 430} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 137 and name HG )) 2.400 2.400 3.600 peak 430 spectrum 1 weight 0.11000E+01 volume 0.49238E-02 ppm1 0.865 ppm2 1.562 CV 1 ASSI { 431} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 138 and name HA )) 4.900 3.000 1.100 peak 431 spectrum 1 weight 0.11000E+01 volume 0.42064E-03 ppm1 0.866 ppm2 3.933 CV 1 ASSI { 432} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 139 and name HB1 )) 4.400 2.400 1.600 peak 432 spectrum 1 weight 0.11000E+01 volume 0.34217E-03 ppm1 0.866 ppm2 3.249 CV 1 ASSI { 434} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB )) 3.100 1.200 1.200 peak 434 spectrum 1 weight 0.11000E+01 volume 0.17978E-02 ppm1 3.940 ppm2 1.173 CV 1 ASSI { 437} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HG12)) 3.900 1.900 1.900 peak 437 spectrum 1 weight 0.11000E+01 volume 0.82125E-03 ppm1 3.936 ppm2 0.872 CV 1 ASSI { 439} (( segid " " and resid 138 and name HA )) (( segid " " and resid 139 and name HB1 )) 4.400 2.500 1.600 peak 439 spectrum 1 weight 0.11000E+01 volume 0.35687E-03 ppm1 3.929 ppm2 3.243 CV 1 ASSI { 442} (( segid " " and resid 138 and name HB )) ( segid " " and resid 138 and name HD1%) 3.800 1.800 1.800 peak 442 spectrum 1 weight 0.11000E+01 volume 0.11658E-02 ppm1 1.166 ppm2 0.407 CV 1 ASSI { 443} (( segid " " and resid 138 and name HB )) (( segid " " and resid 138 and name HG11)) 3.000 1.100 1.100 peak 443 spectrum 1 weight 0.11000E+01 volume 0.12248E-02 ppm1 1.166 ppm2 0.706 CV 1 ASSI { 444} (( segid " " and resid 138 and name HB )) (( segid " " and resid 138 and name HG12)) 2.800 1.000 1.000 peak 444 spectrum 1 weight 0.11000E+01 volume 0.15380E-02 ppm1 1.165 ppm2 0.873 CV 1 ASSI { 447} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 135 and name HA )) 4.800 2.900 1.200 peak 447 spectrum 1 weight 0.11000E+01 volume 0.65573E-03 ppm1 0.408 ppm2 4.385 CV 1 ASSI { 448} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 136 and name HB1 )) 3.300 3.300 2.700 peak 448 spectrum 1 weight 0.11000E+01 volume 0.34867E-02 ppm1 0.402 ppm2 2.219 CV 1 ASSI { 449} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 136 and name HG1 )) 3.300 1.400 1.400 peak 449 spectrum 1 weight 0.11000E+01 volume 0.28316E-02 ppm1 0.406 ppm2 1.767 CV 1 ASSI { 450} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 136 and name HG2 )) 2.700 0.900 0.900 peak 450 spectrum 1 weight 0.11000E+01 volume 0.53317E-02 ppm1 0.407 ppm2 2.079 CV 1 ASSI { 451} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 137 and name HD2%) 3.400 1.400 1.400 peak 451 spectrum 1 weight 0.11000E+01 volume 0.65333E-02 ppm1 0.406 ppm2 0.878 CV 1 ASSI { 452} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HA )) 2.900 1.100 1.100 peak 452 spectrum 1 weight 0.11000E+01 volume 0.24717E-02 ppm1 0.406 ppm2 3.939 CV 1 ASSI { 454} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HG11)) 2.200 0.600 0.600 peak 454 spectrum 1 weight 0.11000E+01 volume 0.75127E-02 ppm1 0.407 ppm2 0.706 CV 1 ASSI { 455} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HG12)) 2.200 0.600 0.600 peak 455 spectrum 1 weight 0.11000E+01 volume 0.65333E-02 ppm1 0.406 ppm2 0.878 CV 1 ASSI { 456} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 138 and name HG2%) 2.300 0.700 0.700 peak 456 spectrum 1 weight 0.11000E+01 volume 0.66766E-02 ppm1 0.407 ppm2 0.038 CV 1 ASSI { 457} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 139 and name HE2 )) 3.700 3.700 2.300 peak 457 spectrum 1 weight 0.11000E+01 volume 0.13781E-02 ppm1 0.406 ppm2 6.575 CV 1 ASSI { 458} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 140 and name HA )) 4.800 4.800 1.200 peak 458 spectrum 1 weight 0.11000E+01 volume 0.60381E-03 ppm1 0.401 ppm2 4.169 CV 1 ASSI { 459} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 140 and name HD% ) 4.300 4.300 1.700 peak 459 spectrum 1 weight 0.11000E+01 volume 0.86917E-03 ppm1 0.407 ppm2 7.348 CV 1 ASSI { 461} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 207 and name HA )) 4.200 2.200 1.800 peak 461 spectrum 1 weight 0.11000E+01 volume 0.60381E-03 ppm1 0.401 ppm2 4.174 CV 1 ASSI { 462} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 207 and name HB1 )) 4.000 2.000 2.000 peak 462 spectrum 1 weight 0.11000E+01 volume 0.18538E-02 ppm1 0.394 ppm2 1.906 CV 1 ASSI { 463} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 207 and name HD1 )) 3.400 1.500 1.500 peak 463 spectrum 1 weight 0.11000E+01 volume 0.10661E-02 ppm1 0.406 ppm2 3.178 CV 1 ASSI { 464} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 208 and name HA )) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.11000E+01 volume 0.38742E-02 ppm1 0.407 ppm2 3.525 CV 1 ASSI { 465} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 208 and name HG1%) 2.700 0.900 0.900 peak 465 spectrum 1 weight 0.11000E+01 volume 0.54217E-02 ppm1 0.405 ppm2 1.089 CV 1 ASSI { 466} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 208 and name HG2%) 2.600 0.900 0.900 peak 466 spectrum 1 weight 0.11000E+01 volume 0.51475E-02 ppm1 0.407 ppm2 1.021 CV 1 ASSI { 467} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 211 and name HB1 )) 2.600 0.800 0.800 peak 467 spectrum 1 weight 0.11000E+01 volume 0.30318E-02 ppm1 0.406 ppm2 2.402 CV 1 ASSI { 468} (( segid " " and resid 138 and name HG11)) (( segid " " and resid 136 and name HG1 )) 5.200 5.200 0.800 peak 468 spectrum 1 weight 0.11000E+01 volume 0.46483E-03 ppm1 0.696 ppm2 1.792 CV 1 ASSI { 470} (( segid " " and resid 138 and name HG11)) (( segid " " and resid 138 and name HA )) 4.300 2.300 1.700 peak 470 spectrum 1 weight 0.11000E+01 volume 0.68619E-03 ppm1 0.704 ppm2 3.930 CV 1 ASSI { 473} (( segid " " and resid 138 and name HG11)) (( segid " " and resid 138 and name HG12)) 1.900 0.400 0.400 peak 473 spectrum 1 weight 0.11000E+01 volume 0.54450E-02 ppm1 0.701 ppm2 0.878 CV 1 ASSI { 476} (( segid " " and resid 138 and name HG11)) ( segid " " and resid 208 and name HG1%) 4.000 2.000 2.000 peak 476 spectrum 1 weight 0.11000E+01 volume 0.11958E-02 ppm1 0.700 ppm2 1.099 CV 1 ASSI { 477} (( segid " " and resid 138 and name HG12)) ( segid " " and resid 149 and name HD% ) 3.700 1.700 1.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.51162E-03 ppm1 0.872 ppm2 6.872 CV 1 ASSI { 484} (( segid " " and resid 138 and name HG12)) ( segid " " and resid 208 and name HG1%) 3.700 1.700 1.700 peak 484 spectrum 1 weight 0.11000E+01 volume 0.11525E-02 ppm1 0.883 ppm2 1.109 CV 1 ASSI { 485} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HA )) 4.400 2.400 1.600 peak 485 spectrum 1 weight 0.11000E+01 volume 0.75907E-03 ppm1 0.040 ppm2 4.944 CV 1 ASSI { 486} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 208 and name HA )) 5.100 3.200 0.900 peak 486 spectrum 1 weight 0.11000E+01 volume 0.84317E-03 ppm1 0.039 ppm2 3.509 CV 1 ASSI { 487} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 207 and name HD2 )) 4.300 4.300 1.700 peak 487 spectrum 1 weight 0.11000E+01 volume 0.12634E-02 ppm1 0.039 ppm2 3.192 CV 1 ASSI { 488} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 136 and name HB1 )) 4.500 2.600 1.500 peak 488 spectrum 1 weight 0.11000E+01 volume 0.81808E-03 ppm1 0.044 ppm2 2.244 CV 1 ASSI { 489} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 136 and name HG2 )) 4.300 2.300 1.700 peak 489 spectrum 1 weight 0.11000E+01 volume 0.16053E-02 ppm1 0.038 ppm2 2.038 CV 1 ASSI { 490} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HA )) 2.600 0.900 0.900 peak 490 spectrum 1 weight 0.11000E+01 volume 0.40213E-02 ppm1 0.039 ppm2 3.942 CV 1 ASSI { 491} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HB )) 2.300 0.700 0.700 peak 491 spectrum 1 weight 0.11000E+01 volume 0.68663E-02 ppm1 0.040 ppm2 1.162 CV 1 ASSI { 493} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HG11)) 2.600 0.800 0.800 peak 493 spectrum 1 weight 0.11000E+01 volume 0.37373E-02 ppm1 0.039 ppm2 0.706 CV 1 ASSI { 494} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HG12)) 3.300 1.300 1.300 peak 494 spectrum 1 weight 0.11000E+01 volume 0.32922E-02 ppm1 0.040 ppm2 0.880 CV 1 ASSI { 495} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HE2 )) 3.500 1.600 1.600 peak 495 spectrum 1 weight 0.11000E+01 volume 0.13020E-02 ppm1 0.042 ppm2 6.577 CV 1 ASSI { 496} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 140 and name HA )) 4.200 2.200 1.800 peak 496 spectrum 1 weight 0.11000E+01 volume 0.78561E-03 ppm1 0.039 ppm2 4.239 CV 1 ASSI { 497} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 140 and name HD% ) 3.900 1.900 1.900 peak 497 spectrum 1 weight 0.11000E+01 volume 0.14638E-02 ppm1 0.040 ppm2 7.371 CV 1 ASSI { 499} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 211 and name HB1 )) 3.600 1.600 1.600 peak 499 spectrum 1 weight 0.11000E+01 volume 0.10645E-02 ppm1 0.036 ppm2 2.396 CV 1 ASSI { 504} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB1 )) 2.500 0.800 0.800 peak 504 spectrum 1 weight 0.11000E+01 volume 0.27536E-02 ppm1 4.937 ppm2 3.284 CV 1 ASSI { 505} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB2 )) 3.000 1.100 1.100 peak 505 spectrum 1 weight 0.11000E+01 volume 0.23293E-02 ppm1 4.935 ppm2 2.972 CV 1 ASSI { 506} (( segid " " and resid 139 and name HA )) ( segid " " and resid 140 and name HD% ) 4.800 2.900 1.200 peak 506 spectrum 1 weight 0.11000E+01 volume 0.43895E-03 ppm1 4.935 ppm2 7.388 CV 1 ASSI { 507} (( segid " " and resid 139 and name HA )) (( segid " " and resid 143 and name HA )) 5.600 4.000 0.400 peak 507 spectrum 1 weight 0.11000E+01 volume 0.32959E-03 ppm1 4.937 ppm2 4.475 CV 1 ASSI { 509} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 139 and name HB2 )) 2.100 0.500 0.500 peak 509 spectrum 1 weight 0.11000E+01 volume 0.57401E-02 ppm1 3.286 ppm2 2.977 CV 1 ASSI { 512} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB1 )) 3.000 1.200 1.200 peak 512 spectrum 1 weight 0.11000E+01 volume 0.21280E-02 ppm1 4.240 ppm2 3.351 CV 1 ASSI { 513} (( segid " " and resid 140 and name HA )) ( segid " " and resid 140 and name HD% ) 3.000 1.100 1.100 peak 513 spectrum 1 weight 0.11000E+01 volume 0.12703E-02 ppm1 4.231 ppm2 7.387 CV 1 ASSI { 514} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB2 )) 2.800 1.000 1.000 peak 514 spectrum 1 weight 0.11000E+01 volume 0.15644E-02 ppm1 4.236 ppm2 2.856 CV 1 ASSI { 516} (( segid " " and resid 140 and name HA )) (( segid " " and resid 145 and name HB1 )) 4.900 3.000 1.100 peak 516 spectrum 1 weight 0.11000E+01 volume 0.59263E-03 ppm1 4.235 ppm2 1.908 CV 1 ASSI { 518} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 140 and name HB2 )) 2.300 0.600 0.600 peak 518 spectrum 1 weight 0.11000E+01 volume 0.20062E-02 ppm1 3.350 ppm2 2.859 CV 1 ASSI { 519} (( segid " " and resid 140 and name HB1 )) ( segid " " and resid 140 and name HD% ) 3.000 1.200 1.200 peak 519 spectrum 1 weight 0.11000E+01 volume 0.10001E-02 ppm1 3.350 ppm2 7.388 CV 1 ASSI { 520} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 142 and name HB1 )) 3.500 3.500 2.500 peak 520 spectrum 1 weight 0.11000E+01 volume 0.17504E-02 ppm1 3.348 ppm2 2.819 CV 1 ASSI { 521} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 142 and name HB2 )) 2.900 2.900 3.100 peak 521 spectrum 1 weight 0.11000E+01 volume 0.17676E-02 ppm1 3.350 ppm2 2.888 CV 1 ASSI { 522} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 145 and name HB1 )) 3.600 1.700 1.700 peak 522 spectrum 1 weight 0.11000E+01 volume 0.49373E-03 ppm1 3.356 ppm2 1.887 CV 1 ASSI { 523} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 145 and name HB2 )) 3.300 1.300 1.300 peak 523 spectrum 1 weight 0.11000E+01 volume 0.33258E-03 ppm1 3.361 ppm2 1.392 CV 1 ASSI { 524} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 146 and name HB1 )) 4.300 2.300 1.700 peak 524 spectrum 1 weight 0.11000E+01 volume 0.70588E-03 ppm1 3.353 ppm2 2.956 CV 1 ASSI { 528} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 140 and name HD% ) 3.300 1.400 1.400 peak 528 spectrum 1 weight 0.11000E+01 volume 0.10300E-02 ppm1 2.844 ppm2 7.388 CV 1 ASSI { 531} (( segid " " and resid 142 and name HA )) (( segid " " and resid 140 and name HB2 )) 3.700 1.700 1.700 peak 531 spectrum 1 weight 0.11000E+01 volume 0.49554E-02 ppm1 4.865 ppm2 2.817 CV 1 ASSI { 532} (( segid " " and resid 142 and name HA )) (( segid " " and resid 141 and name HA2 )) 4.400 2.500 1.600 peak 532 spectrum 1 weight 0.11000E+01 volume 0.27714E-03 ppm1 4.847 ppm2 3.711 CV 1 ASSI { 534} (( segid " " and resid 142 and name HA )) (( segid " " and resid 146 and name HB1 )) 4.400 2.500 1.600 peak 534 spectrum 1 weight 0.11000E+01 volume 0.14393E-02 ppm1 4.865 ppm2 2.912 CV 1 ASSI { 535} (( segid " " and resid 142 and name HA )) (( segid " " and resid 146 and name HB2 )) 3.600 3.600 2.400 peak 535 spectrum 1 weight 0.11000E+01 volume 0.22789E-02 ppm1 4.862 ppm2 2.717 CV 1 ASSI { 536} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 142 and name HA )) 2.800 1.000 1.000 peak 536 spectrum 1 weight 0.11000E+01 volume 0.23441E-02 ppm1 2.798 ppm2 4.867 CV 1 ASSI { 537} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 143 and name HA )) 4.500 4.500 1.500 peak 537 spectrum 1 weight 0.11000E+01 volume 0.34939E-03 ppm1 2.840 ppm2 4.441 CV 1 ASSI { 538} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 145 and name HB1 )) 5.500 3.800 0.500 peak 538 spectrum 1 weight 0.11000E+01 volume 0.31982E-03 ppm1 2.798 ppm2 1.891 CV 1 ASSI { 539} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HA )) 2.900 1.100 1.100 peak 539 spectrum 1 weight 0.11000E+01 volume 0.22143E-02 ppm1 2.843 ppm2 4.867 CV 1 ASSI { 540} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 145 and name HB1 )) 5.200 3.300 0.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.37183E-03 ppm1 2.845 ppm2 1.920 CV 1 ASSI { 542} (( segid " " and resid 143 and name HA )) (( segid " " and resid 142 and name HA )) 4.800 2.900 1.200 peak 542 spectrum 1 weight 0.11000E+01 volume 0.42281E-03 ppm1 4.432 ppm2 4.842 CV 1 ASSI { 543} (( segid " " and resid 143 and name HA )) (( segid " " and resid 146 and name HA )) 4.200 4.200 1.800 peak 543 spectrum 1 weight 0.11000E+01 volume 0.15056E-02 ppm1 4.437 ppm2 4.612 CV 1 ASSI { 544} (( segid " " and resid 143 and name HA )) (( segid " " and resid 146 and name HB1 )) 2.500 0.800 0.800 peak 544 spectrum 1 weight 0.11000E+01 volume 0.23205E-02 ppm1 4.432 ppm2 2.902 CV 1 ASSI { 545} (( segid " " and resid 143 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.200 0.600 0.600 peak 545 spectrum 1 weight 0.11000E+01 volume 0.64039E-02 ppm1 4.431 ppm2 2.726 CV 1 ASSI { 546} (( segid " " and resid 143 and name HA )) (( segid " " and resid 147 and name HB1 )) 4.200 2.300 1.800 peak 546 spectrum 1 weight 0.11000E+01 volume 0.42097E-03 ppm1 4.423 ppm2 1.920 CV 1 ASSI { 550} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 139 and name HB2 )) 4.200 2.200 1.800 peak 550 spectrum 1 weight 0.11000E+01 volume 0.84833E-03 ppm1 2.845 ppm2 3.005 CV 1 ASSI { 551} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 142 and name HA )) 4.900 3.000 1.100 peak 551 spectrum 1 weight 0.11000E+01 volume 0.79185E-03 ppm1 2.847 ppm2 4.861 CV 1 ASSI { 552} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HA )) 3.400 1.400 1.400 peak 552 spectrum 1 weight 0.11000E+01 volume 0.86197E-03 ppm1 2.844 ppm2 4.431 CV 1 ASSI { 553} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 144 and name HB1 )) 4.600 2.700 1.400 peak 553 spectrum 1 weight 0.11000E+01 volume 0.71561E-03 ppm1 2.845 ppm2 3.220 CV 1 ASSI { 554} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 146 and name HA )) 5.100 5.100 0.900 peak 554 spectrum 1 weight 0.11000E+01 volume 0.95749E-03 ppm1 2.847 ppm2 4.685 CV 1 ASSI { 556} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 139 and name HB2 )) 4.700 2.800 1.300 peak 556 spectrum 1 weight 0.11000E+01 volume 0.70716E-03 ppm1 2.717 ppm2 3.015 CV 1 ASSI { 557} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 142 and name HA )) 5.800 4.200 0.200 peak 557 spectrum 1 weight 0.11000E+01 volume 0.54611E-03 ppm1 2.721 ppm2 4.866 CV 1 ASSI { 558} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HA )) 2.300 0.600 0.600 peak 558 spectrum 1 weight 0.11000E+01 volume 0.62365E-02 ppm1 2.719 ppm2 4.441 CV 1 ASSI { 559} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HN )) 5.000 3.100 1.000 peak 559 spectrum 1 weight 0.11000E+01 volume 0.39461E-03 ppm1 2.720 ppm2 8.944 CV 1 ASSI { 560} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 144 and name HB1 )) 4.400 2.500 1.600 peak 560 spectrum 1 weight 0.11000E+01 volume 0.83630E-03 ppm1 2.721 ppm2 3.212 CV 1 ASSI { 561} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 147 and name HB1 )) 3.900 3.900 2.100 peak 561 spectrum 1 weight 0.11000E+01 volume 0.42727E-03 ppm1 2.719 ppm2 1.913 CV 1 ASSI { 562} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB1 )) 3.000 1.100 1.100 peak 562 spectrum 1 weight 0.11000E+01 volume 0.30529E-02 ppm1 4.224 ppm2 3.229 CV 1 ASSI { 563} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB2 )) 2.800 1.000 1.000 peak 563 spectrum 1 weight 0.11000E+01 volume 0.22944E-02 ppm1 4.219 ppm2 3.051 CV 1 ASSI { 564} (( segid " " and resid 144 and name HA )) ( segid " " and resid 144 and name HD% ) 3.200 1.300 1.300 peak 564 spectrum 1 weight 0.11000E+01 volume 0.17716E-02 ppm1 4.216 ppm2 7.075 CV 1 ASSI { 565} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HB1 )) 2.900 1.100 1.100 peak 565 spectrum 1 weight 0.11000E+01 volume 0.14410E-02 ppm1 4.225 ppm2 1.912 CV 1 ASSI { 566} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HD1 )) 3.100 1.200 1.200 peak 566 spectrum 1 weight 0.11000E+01 volume 0.30529E-02 ppm1 4.224 ppm2 3.229 CV 1 ASSI { 567} (( segid " " and resid 144 and name HA )) (( segid " " and resid 148 and name HB1 )) 4.700 2.700 1.300 peak 567 spectrum 1 weight 0.11000E+01 volume 0.59265E-03 ppm1 4.221 ppm2 2.725 CV 1 ASSI { 569} (( segid " " and resid 144 and name HB1 )) ( segid " " and resid 144 and name HD% ) 3.200 1.200 1.200 peak 569 spectrum 1 weight 0.11000E+01 volume 0.13592E-02 ppm1 3.230 ppm2 7.092 CV 1 ASSI { 571} (( segid " " and resid 144 and name HB2 )) ( segid " " and resid 144 and name HD% ) 3.400 1.400 1.400 peak 571 spectrum 1 weight 0.11000E+01 volume 0.91694E-03 ppm1 3.058 ppm2 7.080 CV 1 ASSI { 572} (( segid " " and resid 145 and name HA )) (( segid " " and resid 140 and name HB1 )) 4.600 2.700 1.400 peak 572 spectrum 1 weight 0.11000E+01 volume 0.60901E-03 ppm1 3.531 ppm2 3.337 CV 1 ASSI { 573} (( segid " " and resid 145 and name HA )) (( segid " " and resid 142 and name HB1 )) 3.800 3.800 2.200 peak 573 spectrum 1 weight 0.11000E+01 volume 0.11083E-02 ppm1 3.539 ppm2 2.756 CV 1 ASSI { 574} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB1 )) 2.500 0.800 0.800 peak 574 spectrum 1 weight 0.11000E+01 volume 0.23280E-02 ppm1 3.541 ppm2 1.883 CV 1 ASSI { 575} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB2 )) 3.200 1.300 1.300 peak 575 spectrum 1 weight 0.11000E+01 volume 0.10138E-02 ppm1 3.534 ppm2 1.372 CV 1 ASSI { 576} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HB1 )) 2.900 1.100 1.100 peak 576 spectrum 1 weight 0.11000E+01 volume 0.86653E-03 ppm1 3.528 ppm2 2.780 CV 1 ASSI { 578} (( segid " " and resid 145 and name HA )) ( segid " " and resid 149 and name HD% ) 4.400 2.500 1.600 peak 578 spectrum 1 weight 0.11000E+01 volume 0.50386E-03 ppm1 3.537 ppm2 6.850 CV 1 ASSI { 579} (( segid " " and resid 145 and name HA )) ( segid " " and resid 204 and name HD1%) 4.500 2.500 1.500 peak 579 spectrum 1 weight 0.11000E+01 volume 0.86327E-03 ppm1 3.522 ppm2 0.631 CV 1 ASSI { 580} (( segid " " and resid 145 and name HA )) (( segid " " and resid 204 and name HG11)) 6.000 6.000 0.000 peak 580 spectrum 1 weight 0.11000E+01 volume 0.76503E-04 ppm1 3.522 ppm2 1.559 CV 1 ASSI { 581} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 140 and name HB2 )) 3.200 1.300 1.300 peak 581 spectrum 1 weight 0.11000E+01 volume 0.82242E-03 ppm1 1.894 ppm2 2.800 CV 1 ASSI { 585} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HG1 )) 3.100 1.200 1.200 peak 585 spectrum 1 weight 0.11000E+01 volume 0.12496E-02 ppm1 1.892 ppm2 2.448 CV 1 ASSI { 586} (( segid " " and resid 145 and name HB1 )) ( segid " " and resid 204 and name HD1%) 4.800 2.900 1.200 peak 586 spectrum 1 weight 0.11000E+01 volume 0.14875E-03 ppm1 1.894 ppm2 0.660 CV 1 ASSI { 587} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 140 and name HB2 )) 4.300 2.300 1.700 peak 587 spectrum 1 weight 0.11000E+01 volume 0.56287E-03 ppm1 1.381 ppm2 2.849 CV 1 ASSI { 588} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 142 and name HB1 )) 3.400 1.400 1.400 peak 588 spectrum 1 weight 0.11000E+01 volume 0.58498E-03 ppm1 1.369 ppm2 2.819 CV 1 ASSI { 590} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HB1 )) 2.200 0.600 0.600 peak 590 spectrum 1 weight 0.11000E+01 volume 0.22815E-02 ppm1 1.366 ppm2 1.882 CV 1 ASSI { 592} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 144 and name HD% ) 3.800 3.800 2.200 peak 592 spectrum 1 weight 0.11000E+01 volume 0.48947E-03 ppm1 2.486 ppm2 7.072 CV 1 ASSI { 593} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HA )) 3.000 1.100 1.100 peak 593 spectrum 1 weight 0.11000E+01 volume 0.10724E-02 ppm1 2.470 ppm2 3.566 CV 1 ASSI { 594} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HB2 )) 3.500 1.500 1.500 peak 594 spectrum 1 weight 0.11000E+01 volume 0.87560E-03 ppm1 2.476 ppm2 1.388 CV 1 ASSI { 595} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 146 and name HA )) 4.800 4.800 1.200 peak 595 spectrum 1 weight 0.11000E+01 volume 0.40072E-03 ppm1 2.462 ppm2 4.714 CV 1 ASSI { 597} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 204 and name HD1%) 4.000 2.000 2.000 peak 597 spectrum 1 weight 0.11000E+01 volume 0.47315E-03 ppm1 2.478 ppm2 0.651 CV 1 ASSI { 598} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 142 and name HB2 )) 4.400 2.400 1.600 peak 598 spectrum 1 weight 0.11000E+01 volume 0.36972E-03 ppm1 1.838 ppm2 2.829 CV 1 ASSI { 599} (( segid " " and resid 145 and name HG2 )) ( segid " " and resid 144 and name HD% ) 4.100 2.100 1.900 peak 599 spectrum 1 weight 0.11000E+01 volume 0.53594E-03 ppm1 1.843 ppm2 7.071 CV 1 ASSI { 600} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HA )) 3.600 1.600 1.600 peak 600 spectrum 1 weight 0.11000E+01 volume 0.84024E-03 ppm1 1.833 ppm2 3.532 CV 1 ASSI { 601} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HB2 )) 3.100 1.200 1.200 peak 601 spectrum 1 weight 0.11000E+01 volume 0.11613E-02 ppm1 1.848 ppm2 1.377 CV 1 ASSI { 602} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HG1 )) 2.300 0.700 0.700 peak 602 spectrum 1 weight 0.11000E+01 volume 0.28216E-02 ppm1 1.842 ppm2 2.481 CV 1 ASSI { 603} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 148 and name HB2 )) 4.900 2.900 1.100 peak 603 spectrum 1 weight 0.11000E+01 volume 0.54476E-03 ppm1 1.841 ppm2 2.585 CV 1 ASSI { 605} (( segid " " and resid 145 and name HG2 )) ( segid " " and resid 204 and name HD1%) 4.000 2.000 2.000 peak 605 spectrum 1 weight 0.11000E+01 volume 0.57922E-03 ppm1 1.855 ppm2 0.640 CV 1 ASSI { 607} (( segid " " and resid 146 and name HA )) (( segid " " and resid 142 and name HB2 )) 3.500 3.500 2.500 peak 607 spectrum 1 weight 0.11000E+01 volume 0.23870E-02 ppm1 4.667 ppm2 2.849 CV 1 ASSI { 608} (( segid " " and resid 146 and name HA )) (( segid " " and resid 145 and name HB1 )) 3.600 1.600 1.600 peak 608 spectrum 1 weight 0.11000E+01 volume 0.56298E-03 ppm1 4.672 ppm2 1.891 CV 1 ASSI { 609} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name HD1 )) 4.000 4.000 2.000 peak 609 spectrum 1 weight 0.11000E+01 volume 0.10437E-02 ppm1 4.667 ppm2 3.230 CV 1 ASSI { 611} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 146 and name HA )) 3.300 1.400 1.400 peak 611 spectrum 1 weight 0.11000E+01 volume 0.10643E-02 ppm1 2.930 ppm2 4.656 CV 1 ASSI { 613} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HA )) 3.600 1.600 1.600 peak 613 spectrum 1 weight 0.11000E+01 volume 0.45716E-03 ppm1 2.722 ppm2 4.656 CV 1 ASSI { 617} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB1 )) 2.500 0.800 0.800 peak 617 spectrum 1 weight 0.11000E+01 volume 0.70626E-02 ppm1 3.998 ppm2 1.919 CV 1 ASSI { 618} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HD1 )) 3.800 1.800 1.800 peak 618 spectrum 1 weight 0.11000E+01 volume 0.10399E-02 ppm1 4.004 ppm2 3.190 CV 1 ASSI { 619} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HG1 )) 3.600 1.600 1.600 peak 619 spectrum 1 weight 0.11000E+01 volume 0.22147E-02 ppm1 4.000 ppm2 1.744 CV 1 ASSI { 620} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HG2 )) 3.000 1.100 1.100 peak 620 spectrum 1 weight 0.11000E+01 volume 0.14505E-02 ppm1 3.997 ppm2 1.549 CV 1 ASSI { 621} (( segid " " and resid 147 and name HA )) (( segid " " and resid 149 and name HB1 )) 4.300 2.300 1.700 peak 621 spectrum 1 weight 0.11000E+01 volume 0.13187E-02 ppm1 3.994 ppm2 3.219 CV 1 ASSI { 622} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB1 )) 2.000 0.500 0.500 peak 622 spectrum 1 weight 0.11000E+01 volume 0.70626E-02 ppm1 3.998 ppm2 1.919 CV 1 ASSI { 623} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HD1 )) 3.500 1.600 1.600 peak 623 spectrum 1 weight 0.11000E+01 volume 0.11379E-02 ppm1 3.989 ppm2 3.261 CV 1 ASSI { 624} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HG2 )) 3.300 1.400 1.400 peak 624 spectrum 1 weight 0.11000E+01 volume 0.17441E-02 ppm1 3.997 ppm2 1.686 CV 1 ASSI { 625} (( segid " " and resid 147 and name HA )) (( segid " " and resid 151 and name HB1 )) 2.800 2.800 3.200 peak 625 spectrum 1 weight 0.11000E+01 volume 0.44054E-02 ppm1 4.000 ppm2 1.979 CV 1 ASSI { 628} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 143 and name HB1 )) 4.100 2.100 1.900 peak 628 spectrum 1 weight 0.11000E+01 volume 0.79513E-03 ppm1 1.921 ppm2 2.839 CV 1 ASSI { 629} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 144 and name HB1 )) 3.300 3.300 2.700 peak 629 spectrum 1 weight 0.11000E+01 volume 0.27395E-02 ppm1 1.933 ppm2 3.220 CV 1 ASSI { 630} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 145 and name HB2 )) 4.000 4.000 2.000 peak 630 spectrum 1 weight 0.11000E+01 volume 0.13679E-02 ppm1 1.919 ppm2 1.402 CV 1 ASSI { 632} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 148 and name HB1 )) 5.100 3.200 0.900 peak 632 spectrum 1 weight 0.11000E+01 volume 0.50253E-03 ppm1 1.919 ppm2 2.751 CV 1 ASSI { 633} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 150 and name HG2 )) 3.400 3.400 2.600 peak 633 spectrum 1 weight 0.11000E+01 volume 0.39957E-02 ppm1 1.916 ppm2 1.656 CV 1 ASSI { 638} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 147 and name HD1 )) 2.900 1.100 1.100 peak 638 spectrum 1 weight 0.11000E+01 volume 0.30558E-02 ppm1 1.736 ppm2 3.206 CV 1 ASSI { 639} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HB1 )) 2.900 1.000 1.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.36375E-02 ppm1 1.533 ppm2 1.881 CV 1 ASSI { 641} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HD1 )) 2.500 0.800 0.800 peak 641 spectrum 1 weight 0.11000E+01 volume 0.32418E-02 ppm1 1.536 ppm2 3.206 CV 1 ASSI { 642} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HG1 )) 1.900 0.400 0.400 peak 642 spectrum 1 weight 0.11000E+01 volume 0.83260E-02 ppm1 1.533 ppm2 1.746 CV 1 ASSI { 643} (( segid " " and resid 148 and name HA )) (( segid " " and resid 145 and name HB1 )) 4.100 4.100 1.900 peak 643 spectrum 1 weight 0.11000E+01 volume 0.16817E-02 ppm1 3.843 ppm2 1.880 CV 1 ASSI { 644} (( segid " " and resid 148 and name HA )) (( segid " " and resid 145 and name HG1 )) 4.600 2.600 1.400 peak 644 spectrum 1 weight 0.11000E+01 volume 0.96405E-03 ppm1 3.851 ppm2 2.494 CV 1 ASSI { 646} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB1 )) 3.200 1.300 1.300 peak 646 spectrum 1 weight 0.11000E+01 volume 0.14808E-02 ppm1 3.843 ppm2 2.743 CV 1 ASSI { 647} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB2 )) 2.700 0.900 0.900 peak 647 spectrum 1 weight 0.11000E+01 volume 0.15817E-02 ppm1 3.848 ppm2 2.575 CV 1 ASSI { 648} (( segid " " and resid 148 and name HA )) ( segid " " and resid 149 and name HD% ) 3.700 3.700 2.300 peak 648 spectrum 1 weight 0.11000E+01 volume 0.16857E-02 ppm1 3.845 ppm2 6.837 CV 1 ASSI { 649} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HB1 )) 3.100 1.200 1.200 peak 649 spectrum 1 weight 0.11000E+01 volume 0.51573E-03 ppm1 3.841 ppm2 1.969 CV 1 ASSI { 650} (( segid " " and resid 148 and name HA )) ( segid " " and resid 204 and name HD1%) 6.000 4.800 0.000 peak 650 spectrum 1 weight 0.11000E+01 volume 0.34962E-03 ppm1 3.852 ppm2 0.657 CV 1 ASSI { 652} (( segid " " and resid 148 and name HB1 )) ( segid " " and resid 148 and name HD% ) 3.200 1.300 1.300 peak 652 spectrum 1 weight 0.11000E+01 volume 0.60035E-03 ppm1 2.751 ppm2 6.850 CV 1 ASSI { 653} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 145 and name HA )) 3.200 1.300 1.300 peak 653 spectrum 1 weight 0.11000E+01 volume 0.42799E-03 ppm1 2.577 ppm2 3.543 CV 1 ASSI { 655} (( segid " " and resid 148 and name HB2 )) ( segid " " and resid 148 and name HD% ) 3.600 1.600 1.600 peak 655 spectrum 1 weight 0.11000E+01 volume 0.61258E-03 ppm1 2.571 ppm2 6.849 CV 1 ASSI { 657} (( segid " " and resid 149 and name HA )) (( segid " " and resid 204 and name HG12)) 4.200 4.200 1.800 peak 657 spectrum 1 weight 0.11000E+01 volume 0.96643E-03 ppm1 4.297 ppm2 0.850 CV 1 ASSI { 659} (( segid " " and resid 149 and name HA )) ( segid " " and resid 148 and name HE% ) 4.600 4.600 1.400 peak 659 spectrum 1 weight 0.11000E+01 volume 0.87442E-03 ppm1 4.302 ppm2 6.913 CV 1 ASSI { 660} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB1 )) 2.600 0.800 0.800 peak 660 spectrum 1 weight 0.11000E+01 volume 0.19980E-02 ppm1 4.294 ppm2 3.237 CV 1 ASSI { 661} (( segid " " and resid 150 and name HA )) (( segid " " and resid 148 and name HA )) 4.800 4.800 1.200 peak 661 spectrum 1 weight 0.11000E+01 volume 0.42779E-03 ppm1 3.511 ppm2 3.845 CV 1 ASSI { 663} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HB2 )) 4.300 2.300 1.700 peak 663 spectrum 1 weight 0.11000E+01 volume 0.97179E-03 ppm1 3.538 ppm2 1.793 CV 1 ASSI { 664} (( segid " " and resid 150 and name HA )) ( segid " " and resid 153 and name HE% ) 3.400 1.400 1.400 peak 664 spectrum 1 weight 0.11000E+01 volume 0.14918E-02 ppm1 3.538 ppm2 1.832 CV 1 ASSI { 665} (( segid " " and resid 150 and name HA )) ( segid " " and resid 154 and name HD% ) 4.700 4.700 1.300 peak 665 spectrum 1 weight 0.11000E+01 volume 0.41215E-03 ppm1 3.525 ppm2 7.092 CV 1 ASSI { 666} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 149 and name HB1 )) 3.800 1.800 1.800 peak 666 spectrum 1 weight 0.11000E+01 volume 0.29639E-02 ppm1 1.919 ppm2 3.223 CV 1 ASSI { 667} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HA )) 3.000 3.000 3.000 peak 667 spectrum 1 weight 0.11000E+01 volume 0.20444E-02 ppm1 1.942 ppm2 3.659 CV 1 ASSI { 668} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 151 and name HA )) 3.200 3.200 2.800 peak 668 spectrum 1 weight 0.11000E+01 volume 0.20533E-02 ppm1 1.948 ppm2 4.041 CV 1 ASSI { 673} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HB1 )) 2.700 0.900 0.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.37556E-02 ppm1 4.046 ppm2 2.160 CV 1 OR { 673} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HG1 )) ASSI { 675} (( segid " " and resid 151 and name HA )) (( segid " " and resid 147 and name HG2 )) 3.700 3.700 2.300 peak 675 spectrum 1 weight 0.11000E+01 volume 0.10123E-02 ppm1 4.043 ppm2 1.505 CV 1 ASSI { 676} (( segid " " and resid 151 and name HA )) (( segid " " and resid 148 and name HA )) 5.100 3.300 0.900 peak 676 spectrum 1 weight 0.11000E+01 volume 0.74846E-03 ppm1 4.051 ppm2 3.874 CV 1 ASSI { 677} (( segid " " and resid 151 and name HA )) (( segid " " and resid 149 and name HA )) 3.900 1.900 1.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.14601E-02 ppm1 4.056 ppm2 4.275 CV 1 ASSI { 678} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB1 )) 2.600 0.800 0.800 peak 678 spectrum 1 weight 0.11000E+01 volume 0.87468E-02 ppm1 4.052 ppm2 1.979 CV 1 ASSI { 681} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HG2 )) 4.100 2.100 1.900 peak 681 spectrum 1 weight 0.11000E+01 volume 0.12757E-02 ppm1 4.059 ppm2 2.379 CV 1 ASSI { 682} (( segid " " and resid 151 and name HA )) (( segid " " and resid 152 and name HA )) 4.000 2.000 2.000 peak 682 spectrum 1 weight 0.11000E+01 volume 0.45481E-03 ppm1 4.053 ppm2 4.572 CV 1 ASSI { 683} (( segid " " and resid 151 and name HA )) ( segid " " and resid 154 and name HD% ) 4.000 4.000 2.000 peak 683 spectrum 1 weight 0.11000E+01 volume 0.37701E-03 ppm1 4.049 ppm2 7.125 CV 1 ASSI { 684} (( segid " " and resid 151 and name HA )) (( segid " " and resid 155 and name HD2 )) 3.900 1.900 1.900 peak 684 spectrum 1 weight 0.11000E+01 volume 0.98482E-03 ppm1 4.050 ppm2 3.108 CV 1 ASSI { 685} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 147 and name HG2 )) 2.500 2.500 3.500 peak 685 spectrum 1 weight 0.11000E+01 volume 0.26671E-02 ppm1 1.941 ppm2 1.603 CV 1 ASSI { 686} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 147 and name HD1 )) 3.200 3.200 2.800 peak 686 spectrum 1 weight 0.11000E+01 volume 0.13523E-02 ppm1 1.943 ppm2 3.205 CV 1 ASSI { 689} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 147 and name HG2 )) 2.600 2.600 3.400 peak 689 spectrum 1 weight 0.11000E+01 volume 0.37022E-02 ppm1 1.825 ppm2 1.602 CV 1 ASSI { 690} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 149 and name HB1 )) 4.700 4.700 1.300 peak 690 spectrum 1 weight 0.11000E+01 volume 0.11275E-02 ppm1 1.828 ppm2 3.234 CV 1 ASSI { 691} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 151 and name HA )) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.11000E+01 volume 0.34396E-02 ppm1 1.831 ppm2 4.098 CV 1 ASSI { 692} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 147 and name HG1 )) 2.700 2.700 3.300 peak 692 spectrum 1 weight 0.11000E+01 volume 0.40952E-03 ppm1 2.322 ppm2 1.715 CV 1 ASSI { 693} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HA )) 2.900 1.000 1.000 peak 693 spectrum 1 weight 0.11000E+01 volume 0.30506E-02 ppm1 2.328 ppm2 4.058 CV 1 ASSI { 695} (( segid " " and resid 151 and name HG1 )) ( segid " " and resid 153 and name HE% ) 4.600 4.600 1.400 peak 695 spectrum 1 weight 0.11000E+01 volume 0.48499E-03 ppm1 2.327 ppm2 1.832 CV 1 ASSI { 697} (( segid " " and resid 151 and name HG2 )) ( segid " " and resid 153 and name HE% ) 4.100 4.100 1.900 peak 697 spectrum 1 weight 0.11000E+01 volume 0.91457E-03 ppm1 2.207 ppm2 1.832 CV 1 ASSI { 699} (( segid " " and resid 152 and name HA )) (( segid " " and resid 149 and name HA )) 4.600 2.700 1.400 peak 699 spectrum 1 weight 0.11000E+01 volume 0.33270E-03 ppm1 4.581 ppm2 4.256 CV 1 ASSI { 700} (( segid " " and resid 152 and name HA )) ( segid " " and resid 149 and name HD% ) 4.200 4.200 1.800 peak 700 spectrum 1 weight 0.11000E+01 volume 0.14709E-02 ppm1 4.588 ppm2 6.925 CV 1 ASSI { 701} (( segid " " and resid 152 and name HA )) (( segid " " and resid 151 and name HB1 )) 4.100 2.100 1.900 peak 701 spectrum 1 weight 0.11000E+01 volume 0.72368E-03 ppm1 4.584 ppm2 1.945 CV 1 ASSI { 702} (( segid " " and resid 152 and name HA )) (( segid " " and resid 151 and name HG1 )) 2.800 1.000 1.000 peak 702 spectrum 1 weight 0.11000E+01 volume 0.21538E-02 ppm1 4.583 ppm2 2.300 CV 1 ASSI { 703} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HB1 )) 4.200 2.200 1.800 peak 703 spectrum 1 weight 0.11000E+01 volume 0.11679E-02 ppm1 4.586 ppm2 1.608 CV 1 ASSI { 704} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HB1 )) 5.100 3.200 0.900 peak 704 spectrum 1 weight 0.11000E+01 volume 0.48205E-03 ppm1 4.584 ppm2 1.779 CV 1 ASSI { 705} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HD1 )) 3.000 1.200 1.200 peak 705 spectrum 1 weight 0.11000E+01 volume 0.47609E-03 ppm1 4.584 ppm2 3.161 CV 1 ASSI { 706} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HG2 )) 3.800 1.800 1.800 peak 706 spectrum 1 weight 0.11000E+01 volume 0.43867E-03 ppm1 4.586 ppm2 1.305 CV 1 ASSI { 707} (( segid " " and resid 152 and name HA )) (( segid " " and resid 156 and name HN )) 4.500 2.600 1.500 peak 707 spectrum 1 weight 0.11000E+01 volume 0.33727E-03 ppm1 4.562 ppm2 7.297 CV 1 ASSI { 708} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 152 and name HA )) 3.100 1.200 1.200 peak 708 spectrum 1 weight 0.11000E+01 volume 0.59455E-03 ppm1 2.271 ppm2 4.587 CV 1 ASSI { 709} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HA )) 3.700 1.700 1.700 peak 709 spectrum 1 weight 0.11000E+01 volume 0.48423E-03 ppm1 2.347 ppm2 4.581 CV 1 ASSI { 710} (( segid " " and resid 153 and name HA )) (( segid " " and resid 155 and name HB2 )) 3.200 3.200 2.800 peak 710 spectrum 1 weight 0.11000E+01 volume 0.59463E-02 ppm1 3.677 ppm2 1.914 CV 1 ASSI { 712} (( segid " " and resid 153 and name HA )) ( segid " " and resid 208 and name HG1%) 4.500 2.500 1.500 peak 712 spectrum 1 weight 0.11000E+01 volume 0.59303E-03 ppm1 3.677 ppm2 1.054 CV 1 ASSI { 713} (( segid " " and resid 153 and name HA )) ( segid " " and resid 204 and name HG2%) 4.900 2.900 1.100 peak 713 spectrum 1 weight 0.10000E+01 volume 0.35726E-03 ppm1 3.677 ppm2 0.806 CV 1 ASSI { 715} (( segid " " and resid 153 and name HA )) (( segid " " and resid 157 and name HB2 )) 2.800 1.000 1.000 peak 715 spectrum 1 weight 0.11000E+01 volume 0.45468E-02 ppm1 3.680 ppm2 1.684 CV 1 ASSI { 716} (( segid " " and resid 153 and name HA )) (( segid " " and resid 149 and name HB1 )) 4.800 4.800 1.200 peak 716 spectrum 1 weight 0.11000E+01 volume 0.13233E-02 ppm1 3.679 ppm2 3.232 CV 1 ASSI { 717} (( segid " " and resid 153 and name HA )) (( segid " " and resid 152 and name HD21)) 4.300 4.300 1.700 peak 717 spectrum 1 weight 0.11000E+01 volume 0.67174E-03 ppm1 3.686 ppm2 6.711 CV 1 ASSI { 719} (( segid " " and resid 153 and name HA )) (( segid " " and resid 154 and name HA )) 4.200 2.200 1.800 peak 719 spectrum 1 weight 0.11000E+01 volume 0.31629E-03 ppm1 3.677 ppm2 4.236 CV 1 ASSI { 720} (( segid " " and resid 153 and name HA )) (( segid " " and resid 155 and name HA )) 4.400 2.500 1.600 peak 720 spectrum 1 weight 0.11000E+01 volume 0.51826E-03 ppm1 3.675 ppm2 4.007 CV 1 ASSI { 721} (( segid " " and resid 153 and name HA )) (( segid " " and resid 155 and name HD2 )) 3.600 1.600 1.600 peak 721 spectrum 1 weight 0.11000E+01 volume 0.84666E-03 ppm1 3.677 ppm2 3.093 CV 1 ASSI { 722} (( segid " " and resid 153 and name HA )) (( segid " " and resid 156 and name HB1 )) 3.800 1.900 1.900 peak 722 spectrum 1 weight 0.11000E+01 volume 0.11582E-02 ppm1 3.680 ppm2 3.181 CV 1 ASSI { 723} (( segid " " and resid 153 and name HA )) (( segid " " and resid 156 and name HB2 )) 3.800 3.800 2.200 peak 723 spectrum 1 weight 0.11000E+01 volume 0.50331E-03 ppm1 3.675 ppm2 2.985 CV 1 ASSI { 724} (( segid " " and resid 153 and name HA )) ( segid " " and resid 156 and name HD% ) 3.400 3.400 2.600 peak 724 spectrum 1 weight 0.11000E+01 volume 0.22013E-02 ppm1 3.681 ppm2 7.010 CV 1 ASSI { 727} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HA )) 2.700 0.900 0.900 peak 727 spectrum 1 weight 0.11000E+01 volume 0.12867E-02 ppm1 1.609 ppm2 3.682 CV 1 ASSI { 728} (( segid " " and resid 153 and name HB1 )) ( segid " " and resid 153 and name HE% ) 3.400 1.500 1.500 peak 728 spectrum 1 weight 0.11000E+01 volume 0.14071E-02 ppm1 1.613 ppm2 1.857 CV 1 ASSI { 730} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 135 and name HA )) 3.900 3.900 2.100 peak 730 spectrum 1 weight 0.11000E+01 volume 0.12591E-02 ppm1 1.797 ppm2 4.392 CV 1 ASSI { 731} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 152 and name HB2 )) 3.500 3.500 2.500 peak 731 spectrum 1 weight 0.11000E+01 volume 0.28105E-02 ppm1 1.792 ppm2 2.228 CV 1 ASSI { 732} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HA )) 3.400 1.400 1.400 peak 732 spectrum 1 weight 0.11000E+01 volume 0.10174E-02 ppm1 1.792 ppm2 3.639 CV 1 ASSI { 733} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HD1 )) 4.200 2.300 1.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.62350E-03 ppm1 1.794 ppm2 3.831 CV 1 ASSI { 734} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HG2 )) 2.400 0.700 0.700 peak 734 spectrum 1 weight 0.10000E+01 volume 0.27950E-02 ppm1 1.792 ppm2 2.013 CV 1 ASSI { 738} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 155 and name HA )) 4.800 4.800 1.200 peak 738 spectrum 1 weight 0.11000E+01 volume 0.67814E-03 ppm1 1.825 ppm2 4.036 CV 1 ASSI { 739} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 208 and name HG2%) 3.000 1.100 1.100 peak 739 spectrum 1 weight 0.10000E+01 volume 0.18526E-02 ppm1 1.828 ppm2 1.007 CV 1 ASSI { 743} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 135 and name HA )) 3.100 3.100 2.900 peak 743 spectrum 1 weight 0.11000E+01 volume 0.22632E-02 ppm1 1.823 ppm2 4.346 CV 1 ASSI { 744} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 137 and name HA )) 3.400 1.400 1.400 peak 744 spectrum 1 weight 0.11000E+01 volume 0.13491E-02 ppm1 1.827 ppm2 4.548 CV 1 ASSI { 745} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 137 and name HD2%) 2.400 0.700 0.700 peak 745 spectrum 1 weight 0.11000E+01 volume 0.62155E-02 ppm1 1.827 ppm2 0.880 CV 1 ASSI { 746} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 137 and name HG )) 2.100 2.100 3.900 peak 746 spectrum 1 weight 0.11000E+01 volume 0.18155E-01 ppm1 1.823 ppm2 1.642 CV 1 ASSI { 747} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 137 and name HN )) 3.900 1.900 1.900 peak 747 spectrum 1 weight 0.11000E+01 volume 0.42519E-03 ppm1 1.825 ppm2 8.646 CV 1 ASSI { 748} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 149 and name HB1 )) 2.500 0.800 0.800 peak 748 spectrum 1 weight 0.11000E+01 volume 0.23391E-02 ppm1 1.826 ppm2 3.215 CV 1 ASSI { 752} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 152 and name HA )) 3.700 1.700 1.700 peak 752 spectrum 1 weight 0.11000E+01 volume 0.10493E-02 ppm1 1.826 ppm2 4.593 CV 1 ASSI { 753} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 152 and name HD21)) 4.500 2.500 1.500 peak 753 spectrum 1 weight 0.11000E+01 volume 0.18078E-03 ppm1 1.837 ppm2 6.676 CV 1 ASSI { 754} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 153 and name HA )) 2.100 0.600 0.600 peak 754 spectrum 1 weight 0.11000E+01 volume 0.73278E-02 ppm1 1.826 ppm2 3.676 CV 1 ASSI { 755} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 154 and name HB1 )) 4.200 2.200 1.800 peak 755 spectrum 1 weight 0.11000E+01 volume 0.23980E-02 ppm1 1.823 ppm2 3.019 CV 1 ASSI { 756} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 154 and name HE% ) 3.500 3.500 2.500 peak 756 spectrum 1 weight 0.11000E+01 volume 0.33430E-02 ppm1 1.826 ppm2 6.946 CV 1 ASSI { 758} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 154 and name HN )) 4.700 2.700 1.300 peak 758 spectrum 1 weight 0.11000E+01 volume 0.38563E-03 ppm1 1.830 ppm2 7.626 CV 1 ASSI { 759} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 155 and name HD1 )) 3.700 3.700 2.300 peak 759 spectrum 1 weight 0.11000E+01 volume 0.23265E-02 ppm1 1.826 ppm2 3.166 CV 1 ASSI { 760} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 155 and name HD2 )) 3.600 1.600 1.600 peak 760 spectrum 1 weight 0.11000E+01 volume 0.21193E-02 ppm1 1.828 ppm2 3.088 CV 1 ASSI { 761} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 155 and name HE )) 3.700 3.700 2.300 peak 761 spectrum 1 weight 0.11000E+01 volume 0.25514E-02 ppm1 1.829 ppm2 6.889 CV 1 ASSI { 762} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 155 and name HG2 )) 4.400 2.400 1.600 peak 762 spectrum 1 weight 0.11000E+01 volume 0.72937E-03 ppm1 1.828 ppm2 1.310 CV 1 ASSI { 763} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 156 and name HD% ) 3.600 3.600 2.400 peak 763 spectrum 1 weight 0.10000E+01 volume 0.16794E-02 ppm1 1.833 ppm2 7.023 CV 1 ASSI { 764} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 157 and name HD2 )) 4.100 2.100 1.900 peak 764 spectrum 1 weight 0.11000E+01 volume 0.11180E-02 ppm1 1.826 ppm2 3.831 CV 1 ASSI { 766} (( segid " " and resid 154 and name HA )) (( segid " " and resid 153 and name HG2 )) 4.600 2.700 1.400 peak 766 spectrum 1 weight 0.10000E+01 volume 0.51225E-03 ppm1 4.225 ppm2 2.125 CV 1 ASSI { 767} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HB1 )) 2.700 0.900 0.900 peak 767 spectrum 1 weight 0.11000E+01 volume 0.31466E-02 ppm1 4.234 ppm2 3.013 CV 1 ASSI { 768} (( segid " " and resid 154 and name HA )) ( segid " " and resid 154 and name HE% ) 4.900 3.000 1.100 peak 768 spectrum 1 weight 0.11000E+01 volume 0.35178E-03 ppm1 4.229 ppm2 6.915 CV 1 ASSI { 769} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HD2 )) 3.300 1.400 1.400 peak 769 spectrum 1 weight 0.11000E+01 volume 0.21058E-02 ppm1 4.232 ppm2 3.103 CV 1 ASSI { 770} (( segid " " and resid 154 and name HA )) ( segid " " and resid 156 and name HD% ) 4.500 4.500 1.500 peak 770 spectrum 1 weight 0.11000E+01 volume 0.81917E-03 ppm1 4.227 ppm2 7.092 CV 1 ASSI { 771} (( segid " " and resid 154 and name HA )) (( segid " " and resid 157 and name HD1 )) 4.700 4.700 1.300 peak 771 spectrum 1 weight 0.11000E+01 volume 0.29955E-03 ppm1 4.232 ppm2 3.298 CV 1 ASSI { 773} (( segid " " and resid 154 and name HB1 )) ( segid " " and resid 154 and name HD% ) 3.400 1.400 1.400 peak 773 spectrum 1 weight 0.11000E+01 volume 0.77937E-03 ppm1 3.047 ppm2 7.095 CV 1 ASSI { 774} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HA )) 3.800 1.800 1.800 peak 774 spectrum 1 weight 0.11000E+01 volume 0.79789E-03 ppm1 2.953 ppm2 4.237 CV 1 ASSI { 775} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 154 and name HD% ) 3.700 1.700 1.700 peak 775 spectrum 1 weight 0.11000E+01 volume 0.68837E-03 ppm1 2.961 ppm2 7.098 CV 1 ASSI { 777} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HD2 )) 4.000 2.000 2.000 peak 777 spectrum 1 weight 0.11000E+01 volume 0.68588E-03 ppm1 4.021 ppm2 3.122 CV 1 ASSI { 778} (( segid " " and resid 155 and name HA )) (( segid " " and resid 154 and name HA )) 3.800 1.800 1.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.70540E-03 ppm1 4.001 ppm2 4.216 CV 1 ASSI { 780} (( segid " " and resid 155 and name HA )) ( segid " " and resid 182 and name HG2%) 3.000 3.000 3.000 peak 780 spectrum 1 weight 0.11000E+01 volume 0.45960E-02 ppm1 4.003 ppm2 1.477 CV 1 ASSI { 782} (( segid " " and resid 155 and name HA )) (( segid " " and resid 195 and name HG1 )) 5.000 3.100 1.000 peak 782 spectrum 1 weight 0.11000E+01 volume 0.35418E-03 ppm1 3.997 ppm2 2.062 CV 1 ASSI { 784} (( segid " " and resid 155 and name HD1 )) (( segid " " and resid 151 and name HG1 )) 4.100 2.100 1.900 peak 784 spectrum 1 weight 0.11000E+01 volume 0.31762E-03 ppm1 3.193 ppm2 2.287 CV 1 ASSI { 785} (( segid " " and resid 155 and name HD1 )) (( segid " " and resid 155 and name HG2 )) 2.800 1.000 1.000 peak 785 spectrum 1 weight 0.11000E+01 volume 0.12037E-02 ppm1 3.191 ppm2 1.280 CV 1 ASSI { 786} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 151 and name HG1 )) 4.500 2.500 1.500 peak 786 spectrum 1 weight 0.11000E+01 volume 0.37122E-03 ppm1 3.076 ppm2 2.303 CV 1 ASSI { 787} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 152 and name HA )) 3.700 3.700 2.300 peak 787 spectrum 1 weight 0.11000E+01 volume 0.31396E-03 ppm1 3.077 ppm2 4.617 CV 1 ASSI { 790} (( segid " " and resid 155 and name HD2 )) ( segid " " and resid 204 and name HD1%) 5.000 5.000 1.000 peak 790 spectrum 1 weight 0.11000E+01 volume 0.69876E-03 ppm1 3.070 ppm2 0.686 CV 1 ASSI { 791} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 155 and name HD2 )) 3.200 3.200 2.800 peak 791 spectrum 1 weight 0.11000E+01 volume 0.13832E-02 ppm1 1.567 ppm2 3.143 CV 1 ASSI { 792} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 151 and name HG2 )) 4.000 4.000 2.000 peak 792 spectrum 1 weight 0.11000E+01 volume 0.73916E-03 ppm1 1.309 ppm2 2.370 CV 1 ASSI { 793} (( segid " " and resid 155 and name HG2 )) ( segid " " and resid 190 and name HG2%) 3.900 3.900 2.100 peak 793 spectrum 1 weight 0.11000E+01 volume 0.12293E-02 ppm1 1.307 ppm2 0.957 CV 1 ASSI { 796} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 155 and name HD2 )) 2.500 0.800 0.800 peak 796 spectrum 1 weight 0.11000E+01 volume 0.17288E-02 ppm1 1.300 ppm2 3.105 CV 1 ASSI { 797} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 155 and name HG1 )) 2.000 2.000 4.000 peak 797 spectrum 1 weight 0.11000E+01 volume 0.27360E-02 ppm1 1.304 ppm2 1.561 CV 1 ASSI { 800} (( segid " " and resid 156 and name HA )) (( segid " " and resid 152 and name HD21)) 5.000 3.200 1.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.38173E-03 ppm1 4.992 ppm2 6.677 CV 1 ASSI { 801} (( segid " " and resid 156 and name HA )) (( segid " " and resid 153 and name HA )) 5.100 3.200 0.900 peak 801 spectrum 1 weight 0.11000E+01 volume 0.14352E-03 ppm1 5.001 ppm2 3.709 CV 1 ASSI { 802} (( segid " " and resid 156 and name HA )) ( segid " " and resid 153 and name HE% ) 4.600 2.600 1.400 peak 802 spectrum 1 weight 0.11000E+01 volume 0.31110E-03 ppm1 4.976 ppm2 1.819 CV 1 ASSI { 804} (( segid " " and resid 156 and name HA )) (( segid " " and resid 155 and name HD2 )) 3.800 1.800 1.800 peak 804 spectrum 1 weight 0.11000E+01 volume 0.20137E-02 ppm1 4.986 ppm2 3.092 CV 1 ASSI { 805} (( segid " " and resid 156 and name HA )) ( segid " " and resid 156 and name HD% ) 3.000 1.100 1.100 peak 805 spectrum 1 weight 0.11000E+01 volume 0.12540E-02 ppm1 4.984 ppm2 7.022 CV 1 ASSI { 806} (( segid " " and resid 156 and name HA )) (( segid " " and resid 205 and name HB1 )) 5.100 3.300 0.900 peak 806 spectrum 1 weight 0.11000E+01 volume 0.36063E-03 ppm1 4.989 ppm2 1.986 CV 1 ASSI { 808} (( segid " " and resid 156 and name HA )) (( segid " " and resid 155 and name HG2 )) 4.300 2.300 1.700 peak 808 spectrum 1 weight 0.11000E+01 volume 0.41408E-03 ppm1 4.982 ppm2 1.307 CV 1 ASSI { 811} (( segid " " and resid 157 and name HA )) (( segid " " and resid 153 and name HB1 )) 3.600 1.600 1.600 peak 811 spectrum 1 weight 0.11000E+01 volume 0.59994E-03 ppm1 4.398 ppm2 1.587 CV 1 ASSI { 813} (( segid " " and resid 157 and name HA )) (( segid " " and resid 155 and name HG2 )) 4.400 2.400 1.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.75495E-03 ppm1 4.400 ppm2 1.304 CV 1 ASSI { 814} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HG1 )) 3.400 1.500 1.500 peak 814 spectrum 1 weight 0.11000E+01 volume 0.17857E-02 ppm1 4.394 ppm2 1.725 CV 1 ASSI { 815} (( segid " " and resid 157 and name HA )) (( segid " " and resid 159 and name HG2 )) 3.500 1.500 1.500 peak 815 spectrum 1 weight 0.11000E+01 volume 0.26776E-02 ppm1 4.398 ppm2 2.368 CV 1 OR { 815} (( segid " " and resid 157 and name HA )) (( segid " " and resid 159 and name HG1 )) ASSI { 816} (( segid " " and resid 157 and name HA )) (( segid " " and resid 186 and name HE1 )) 5.200 3.400 0.800 peak 816 spectrum 1 weight 0.11000E+01 volume 0.52303E-03 ppm1 4.388 ppm2 7.877 CV 1 ASSI { 818} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 155 and name HD2 )) 4.300 2.300 1.700 peak 818 spectrum 1 weight 0.11000E+01 volume 0.62829E-03 ppm1 2.376 ppm2 3.122 CV 1 ASSI { 819} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 155 and name HG2 )) 4.200 2.300 1.800 peak 819 spectrum 1 weight 0.11000E+01 volume 0.97373E-03 ppm1 2.378 ppm2 1.311 CV 1 ASSI { 820} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HA )) 2.500 0.800 0.800 peak 820 spectrum 1 weight 0.11000E+01 volume 0.20438E-02 ppm1 2.378 ppm2 4.393 CV 1 ASSI { 821} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HB2 )) 2.000 0.500 0.500 peak 821 spectrum 1 weight 0.11000E+01 volume 0.40318E-02 ppm1 2.372 ppm2 1.720 CV 1 ASSI { 822} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 205 and name HG1 )) 4.400 4.400 1.600 peak 822 spectrum 1 weight 0.11000E+01 volume 0.56534E-03 ppm1 2.378 ppm2 2.047 CV 1 ASSI { 824} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 155 and name HD2 )) 4.700 4.700 1.300 peak 824 spectrum 1 weight 0.11000E+01 volume 0.95786E-03 ppm1 1.721 ppm2 3.141 CV 1 ASSI { 825} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 155 and name HG2 )) 5.100 5.100 0.900 peak 825 spectrum 1 weight 0.11000E+01 volume 0.10923E-02 ppm1 1.709 ppm2 1.295 CV 1 ASSI { 826} (( segid " " and resid 157 and name HB2 )) ( segid " " and resid 156 and name HD% ) 5.200 5.200 0.800 peak 826 spectrum 1 weight 0.11000E+01 volume 0.45995E-03 ppm1 1.708 ppm2 6.984 CV 1 ASSI { 827} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HA )) 2.600 0.900 0.900 peak 827 spectrum 1 weight 0.11000E+01 volume 0.18741E-02 ppm1 1.729 ppm2 4.395 CV 1 ASSI { 829} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 158 and name HB2 )) 3.800 1.800 1.800 peak 829 spectrum 1 weight 0.11000E+01 volume 0.19413E-02 ppm1 1.704 ppm2 3.663 CV 1 ASSI { 830} (( segid " " and resid 157 and name HB2 )) ( segid " " and resid 209 and name HG2%) 4.200 2.200 1.800 peak 830 spectrum 1 weight 0.11000E+01 volume 0.64480E-03 ppm1 1.706 ppm2 1.217 CV 1 ASSI { 831} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 157 and name HA )) 3.100 3.100 2.900 peak 831 spectrum 1 weight 0.11000E+01 volume 0.16185E-02 ppm1 3.630 ppm2 4.411 CV 1 ASSI { 832} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 157 and name HG2 )) 2.600 2.600 3.400 peak 832 spectrum 1 weight 0.11000E+01 volume 0.72758E-02 ppm1 3.631 ppm2 2.015 CV 1 ASSI { 833} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 182 and name HA )) 4.300 4.300 1.700 peak 833 spectrum 1 weight 0.11000E+01 volume 0.55165E-03 ppm1 3.632 ppm2 4.099 CV 1 ASSI { 834} (( segid " " and resid 157 and name HD1 )) ( segid " " and resid 182 and name HG2%) 4.000 4.000 2.000 peak 834 spectrum 1 weight 0.11000E+01 volume 0.52856E-03 ppm1 3.632 ppm2 1.453 CV 1 ASSI { 835} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 205 and name HA )) 4.500 4.500 1.500 peak 835 spectrum 1 weight 0.11000E+01 volume 0.12799E-02 ppm1 3.634 ppm2 3.439 CV 1 ASSI { 836} (( segid " " and resid 157 and name HD1 )) ( segid " " and resid 205 and name HE% ) 4.600 4.600 1.400 peak 836 spectrum 1 weight 0.11000E+01 volume 0.52856E-03 ppm1 3.632 ppm2 1.453 CV 1 ASSI { 837} (( segid " " and resid 136 and name HD1 )) ( segid " " and resid 208 and name HG1%) 5.000 5.000 1.000 peak 837 spectrum 1 weight 0.11000E+01 volume 0.44920E-03 ppm1 3.626 ppm2 1.132 CV 1 ASSI { 838} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 155 and name HB1 )) 4.500 4.500 1.500 peak 838 spectrum 1 weight 0.11000E+01 volume 0.13785E-02 ppm1 3.824 ppm2 1.813 CV 1 ASSI { 839} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 155 and name HA )) 3.900 1.900 1.900 peak 839 spectrum 1 weight 0.11000E+01 volume 0.17393E-02 ppm1 3.839 ppm2 4.011 CV 1 ASSI { 840} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 157 and name HA )) 3.300 1.300 1.300 peak 840 spectrum 1 weight 0.11000E+01 volume 0.10220E-02 ppm1 3.840 ppm2 4.393 CV 1 ASSI { 841} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 157 and name HG2 )) 2.000 0.500 0.500 peak 841 spectrum 1 weight 0.11000E+01 volume 0.80034E-02 ppm1 3.826 ppm2 2.006 CV 1 ASSI { 842} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 205 and name HA )) 4.400 2.500 1.600 peak 842 spectrum 1 weight 0.11000E+01 volume 0.55742E-03 ppm1 3.826 ppm2 3.447 CV 1 ASSI { 843} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 205 and name HB1 )) 3.000 3.000 3.000 peak 843 spectrum 1 weight 0.11000E+01 volume 0.65368E-02 ppm1 3.827 ppm2 1.979 CV 1 ASSI { 845} (( segid " " and resid 157 and name HG2 )) (( segid " " and resid 157 and name HA )) 3.000 1.100 1.100 peak 845 spectrum 1 weight 0.11000E+01 volume 0.20368E-02 ppm1 2.021 ppm2 4.416 CV 1 ASSI { 847} (( segid " " and resid 157 and name HG2 )) (( segid " " and resid 158 and name HB2 )) 3.000 3.000 3.000 peak 847 spectrum 1 weight 0.11000E+01 volume 0.53806E-02 ppm1 2.020 ppm2 3.636 CV 1 ASSI { 848} (( segid " " and resid 157 and name HG2 )) (( segid " " and resid 159 and name HA )) 4.100 2.100 1.900 peak 848 spectrum 1 weight 0.11000E+01 volume 0.72069E-03 ppm1 2.023 ppm2 4.598 CV 1 ASSI { 849} (( segid " " and resid 157 and name HG2 )) ( segid " " and resid 208 and name HG1%) 3.600 3.600 2.400 peak 849 spectrum 1 weight 0.11000E+01 volume 0.96473E-03 ppm1 2.024 ppm2 1.099 CV 1 ASSI { 852} (( segid " " and resid 158 and name HA )) (( segid " " and resid 157 and name HB2 )) 4.500 2.500 1.500 peak 852 spectrum 1 weight 0.11000E+01 volume 0.48651E-03 ppm1 4.706 ppm2 1.696 CV 1 ASSI { 853} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB1 )) 2.700 0.900 0.900 peak 853 spectrum 1 weight 0.11000E+01 volume 0.21662E-02 ppm1 4.708 ppm2 2.428 CV 1 ASSI { 854} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB2 )) 2.900 1.000 1.000 peak 854 spectrum 1 weight 0.11000E+01 volume 0.19854E-02 ppm1 4.711 ppm2 3.639 CV 1 ASSI { 855} (( segid " " and resid 158 and name HA )) (( segid " " and resid 159 and name HB2 )) 4.300 2.300 1.700 peak 855 spectrum 1 weight 0.11000E+01 volume 0.78468E-03 ppm1 4.717 ppm2 2.142 CV 1 ASSI { 856} (( segid " " and resid 158 and name HA )) (( segid " " and resid 159 and name HG2 )) 3.500 3.500 2.500 peak 856 spectrum 1 weight 0.11000E+01 volume 0.21662E-02 ppm1 4.708 ppm2 2.428 CV 1 OR { 856} (( segid " " and resid 158 and name HA )) (( segid " " and resid 159 and name HG1 )) ASSI { 857} (( segid " " and resid 158 and name HB1 )) ( segid " " and resid 133 and name HE% ) 3.900 1.900 1.900 peak 857 spectrum 1 weight 0.11000E+01 volume 0.92438E-03 ppm1 2.424 ppm2 1.862 CV 1 ASSI { 859} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 158 and name HB2 )) 2.400 0.700 0.700 peak 859 spectrum 1 weight 0.11000E+01 volume 0.20303E-02 ppm1 2.423 ppm2 3.641 CV 1 ASSI { 863} (( segid " " and resid 159 and name HA )) (( segid " " and resid 157 and name HD2 )) 3.100 3.100 2.900 peak 863 spectrum 1 weight 0.11000E+01 volume 0.44990E-02 ppm1 4.601 ppm2 3.818 CV 1 ASSI { 864} (( segid " " and resid 159 and name HA )) (( segid " " and resid 157 and name HG1 )) 4.000 4.000 2.000 peak 864 spectrum 1 weight 0.11000E+01 volume 0.19132E-02 ppm1 4.598 ppm2 1.754 CV 1 ASSI { 865} (( segid " " and resid 159 and name HA )) (( segid " " and resid 158 and name HA )) 2.500 2.500 3.500 peak 865 spectrum 1 weight 0.11000E+01 volume 0.79884E-02 ppm1 4.596 ppm2 4.725 CV 1 ASSI { 866} (( segid " " and resid 159 and name HA )) (( segid " " and resid 158 and name HB2 )) 3.000 3.000 3.000 peak 866 spectrum 1 weight 0.11000E+01 volume 0.36175E-02 ppm1 4.597 ppm2 3.645 CV 1 ASSI { 867} (( segid " " and resid 159 and name HA )) (( segid " " and resid 160 and name HA )) 3.700 1.700 1.700 peak 867 spectrum 1 weight 0.11000E+01 volume 0.78104E-03 ppm1 4.596 ppm2 4.940 CV 1 ASSI { 870} (( segid " " and resid 159 and name HB1 )) (( segid " " and resid 159 and name HA )) 2.900 1.100 1.100 peak 870 spectrum 1 weight 0.11000E+01 volume 0.90541E-03 ppm1 2.016 ppm2 4.572 CV 1 ASSI { 871} (( segid " " and resid 159 and name HB1 )) (( segid " " and resid 157 and name HB2 )) 3.500 3.500 2.500 peak 871 spectrum 1 weight 0.10000E+01 volume 0.15244E-02 ppm1 2.021 ppm2 1.676 CV 1 ASSI { 876} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HA )) 3.100 1.200 1.200 peak 876 spectrum 1 weight 0.11000E+01 volume 0.62594E-03 ppm1 2.153 ppm2 4.568 CV 1 ASSI { 877} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HB1 )) 1.900 0.400 0.400 peak 877 spectrum 1 weight 0.11000E+01 volume 0.48629E-02 ppm1 2.146 ppm2 1.998 CV 1 ASSI { 878} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HG1 )) 2.800 1.000 1.000 peak 878 spectrum 1 weight 0.11000E+01 volume 0.19731E-02 ppm1 2.151 ppm2 2.360 CV 1 OR { 878} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HG2 )) ASSI { 879} (( segid " " and resid 159 and name HB2 )) ( segid " " and resid 160 and name HG1%) 4.000 2.000 2.000 peak 879 spectrum 1 weight 0.11000E+01 volume 0.59995E-03 ppm1 2.146 ppm2 0.943 CV 1 ASSI { 880} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 157 and name HB2 )) 4.000 2.000 2.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.14425E-02 ppm1 2.143 ppm2 1.676 CV 1 ASSI { 881} (( segid " " and resid 160 and name HA )) (( segid " " and resid 182 and name HB )) 3.700 1.700 1.700 peak 881 spectrum 1 weight 0.10000E+01 volume 0.64273E-03 ppm1 4.914 ppm2 4.513 CV 1 ASSI { 882} (( segid " " and resid 160 and name HA )) ( segid " " and resid 160 and name HG1%) 2.700 0.900 0.900 peak 882 spectrum 1 weight 0.11000E+01 volume 0.18741E-02 ppm1 4.927 ppm2 0.946 CV 1 ASSI { 884} (( segid " " and resid 160 and name HA )) (( segid " " and resid 161 and name HB1 )) 4.100 2.100 1.900 peak 884 spectrum 1 weight 0.11000E+01 volume 0.16729E-02 ppm1 4.929 ppm2 2.605 CV 1 ASSI { 885} (( segid " " and resid 160 and name HA )) (( segid " " and resid 161 and name HN )) 3.300 1.400 1.400 peak 885 spectrum 1 weight 0.11000E+01 volume 0.38533E-03 ppm1 4.922 ppm2 8.436 CV 1 ASSI { 887} (( segid " " and resid 160 and name HA )) (( segid " " and resid 182 and name HA )) 6.000 4.500 0.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.14474E-03 ppm1 4.931 ppm2 4.110 CV 1 ASSI { 888} (( segid " " and resid 160 and name HB )) (( segid " " and resid 159 and name HB2 )) 4.600 4.600 1.400 peak 888 spectrum 1 weight 0.11000E+01 volume 0.40405E-03 ppm1 2.612 ppm2 2.096 CV 1 ASSI { 889} (( segid " " and resid 160 and name HB )) (( segid " " and resid 160 and name HA )) 3.000 1.200 1.200 peak 889 spectrum 1 weight 0.11000E+01 volume 0.10668E-02 ppm1 2.610 ppm2 4.925 CV 1 ASSI { 892} (( segid " " and resid 160 and name HB )) (( segid " " and resid 161 and name HN )) 3.800 1.800 1.800 peak 892 spectrum 1 weight 0.11000E+01 volume 0.28323E-03 ppm1 2.610 ppm2 8.437 CV 1 ASSI { 894} (( segid " " and resid 160 and name HB )) (( segid " " and resid 181 and name HG11)) 4.000 2.000 2.000 peak 894 spectrum 1 weight 0.11000E+01 volume 0.78445E-03 ppm1 2.605 ppm2 0.845 CV 1 ASSI { 896} (( segid " " and resid 160 and name HB )) ( segid " " and resid 212 and name HE% ) 4.800 2.900 1.200 peak 896 spectrum 1 weight 0.11000E+01 volume 0.46373E-03 ppm1 2.610 ppm2 2.184 CV 1 ASSI { 897} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 181 and name HB )) 4.300 4.300 1.700 peak 897 spectrum 1 weight 0.11000E+01 volume 0.17561E-02 ppm1 0.937 ppm2 1.612 CV 1 ASSI { 898} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 130 and name HA2 )) 5.400 3.700 0.600 peak 898 spectrum 1 weight 0.11000E+01 volume 0.59952E-03 ppm1 0.943 ppm2 4.120 CV 1 ASSI { 899} ( segid " " and resid 160 and name HG1%) ( segid " " and resid 133 and name HE% ) 3.100 1.200 1.200 peak 899 spectrum 1 weight 0.11000E+01 volume 0.23358E-02 ppm1 0.942 ppm2 1.895 CV 1 ASSI { 900} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 133 and name HG2 )) 3.100 1.200 1.200 peak 900 spectrum 1 weight 0.11000E+01 volume 0.16211E-02 ppm1 0.937 ppm2 2.536 CV 1 ASSI { 902} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 160 and name HB )) 2.500 0.800 0.800 peak 902 spectrum 1 weight 0.11000E+01 volume 0.26814E-02 ppm1 0.940 ppm2 2.608 CV 1 ASSI { 906} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 182 and name HB )) 3.200 1.300 1.300 peak 906 spectrum 1 weight 0.11000E+01 volume 0.54014E-03 ppm1 0.950 ppm2 4.499 CV 1 ASSI { 908} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 183 and name HA )) 4.600 2.700 1.400 peak 908 spectrum 1 weight 0.11000E+01 volume 0.94751E-03 ppm1 0.945 ppm2 3.640 CV 1 ASSI { 909} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 183 and name HB )) 4.500 4.500 1.500 peak 909 spectrum 1 weight 0.11000E+01 volume 0.13325E-02 ppm1 0.944 ppm2 2.282 CV 1 ASSI { 910} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 159 and name HB1 )) 3.800 1.800 1.800 peak 910 spectrum 1 weight 0.11000E+01 volume 0.12460E-02 ppm1 0.940 ppm2 2.028 CV 1 ASSI { 911} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 209 and name HA )) 3.700 1.700 1.700 peak 911 spectrum 1 weight 0.11000E+01 volume 0.80448E-03 ppm1 0.946 ppm2 3.611 CV 1 ASSI { 912} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 209 and name HB )) 3.700 1.700 1.700 peak 912 spectrum 1 weight 0.11000E+01 volume 0.25867E-02 ppm1 0.939 ppm2 2.155 CV 1 ASSI { 913} ( segid " " and resid 160 and name HG1%) ( segid " " and resid 209 and name HG2%) 2.700 0.900 0.900 peak 913 spectrum 1 weight 0.11000E+01 volume 0.21611E-02 ppm1 0.935 ppm2 1.207 CV 1 ASSI { 914} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 212 and name HA )) 4.500 2.500 1.500 peak 914 spectrum 1 weight 0.11000E+01 volume 0.59952E-03 ppm1 0.943 ppm2 4.120 CV 1 ASSI { 915} ( segid " " and resid 160 and name HG1%) ( segid " " and resid 212 and name HE% ) 3.100 1.200 1.200 peak 915 spectrum 1 weight 0.11000E+01 volume 0.32032E-02 ppm1 0.940 ppm2 2.184 CV 1 ASSI { 916} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 213 and name HA )) 3.700 1.800 1.800 peak 916 spectrum 1 weight 0.11000E+01 volume 0.86546E-03 ppm1 0.936 ppm2 4.387 CV 1 ASSI { 918} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 129 and name HD1%) 2.000 2.000 4.000 peak 918 spectrum 1 weight 0.11000E+01 volume 0.25736E-02 ppm1 0.761 ppm2 0.586 CV 1 ASSI { 919} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 130 and name HA2 )) 4.100 2.100 1.900 peak 919 spectrum 1 weight 0.11000E+01 volume 0.70005E-03 ppm1 0.757 ppm2 4.138 CV 1 ASSI { 920} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 131 and name HA )) 4.100 2.100 1.900 peak 920 spectrum 1 weight 0.11000E+01 volume 0.20776E-02 ppm1 0.760 ppm2 4.381 CV 1 ASSI { 921} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 159 and name HN )) 3.400 1.400 1.400 peak 921 spectrum 1 weight 0.11000E+01 volume 0.18586E-02 ppm1 0.762 ppm2 7.194 CV 1 ASSI { 922} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HA )) 3.300 1.400 1.400 peak 922 spectrum 1 weight 0.11000E+01 volume 0.15659E-02 ppm1 0.761 ppm2 4.922 CV 1 ASSI { 923} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HB )) 2.300 0.700 0.700 peak 923 spectrum 1 weight 0.11000E+01 volume 0.47886E-02 ppm1 0.761 ppm2 2.610 CV 1 ASSI { 924} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 160 and name HG1%) 2.200 0.600 0.600 peak 924 spectrum 1 weight 0.11000E+01 volume 0.84152E-02 ppm1 0.761 ppm2 0.919 CV 1 ASSI { 926} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 161 and name HD% ) 4.500 2.600 1.500 peak 926 spectrum 1 weight 0.11000E+01 volume 0.63767E-03 ppm1 0.757 ppm2 6.931 CV 1 ASSI { 927} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 162 and name HA )) 4.400 2.400 1.600 peak 927 spectrum 1 weight 0.11000E+01 volume 0.74423E-03 ppm1 0.766 ppm2 4.861 CV 1 ASSI { 928} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 162 and name HB1 )) 3.500 1.500 1.500 peak 928 spectrum 1 weight 0.11000E+01 volume 0.97600E-03 ppm1 0.757 ppm2 2.844 CV 1 ASSI { 929} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 162 and name HE% ) 4.100 2.100 1.900 peak 929 spectrum 1 weight 0.11000E+01 volume 0.88763E-03 ppm1 0.758 ppm2 6.516 CV 1 ASSI { 930} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 178 and name HB1 )) 4.400 2.400 1.600 peak 930 spectrum 1 weight 0.11000E+01 volume 0.32947E-03 ppm1 0.751 ppm2 3.239 CV 1 ASSI { 931} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 179 and name HA )) 4.400 2.400 1.600 peak 931 spectrum 1 weight 0.11000E+01 volume 0.12252E-02 ppm1 0.767 ppm2 3.655 CV 1 ASSI { 932} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 181 and name HD1%) 3.900 1.900 1.900 peak 932 spectrum 1 weight 0.11000E+01 volume 0.13694E-02 ppm1 0.760 ppm2 0.411 CV 1 ASSI { 933} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 182 and name HG2%) 4.200 2.200 1.800 peak 933 spectrum 1 weight 0.11000E+01 volume 0.16388E-02 ppm1 0.756 ppm2 1.500 CV 1 ASSI { 936} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 216 and name HG1 )) 3.000 1.100 1.100 peak 936 spectrum 1 weight 0.11000E+01 volume 0.24370E-02 ppm1 0.762 ppm2 1.616 CV 1 ASSI { 938} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 208 and name HG1%) 3.600 3.600 2.400 peak 938 spectrum 1 weight 0.11000E+01 volume 0.19752E-02 ppm1 0.761 ppm2 1.065 CV 1 ASSI { 939} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 209 and name HA )) 3.600 1.600 1.600 peak 939 spectrum 1 weight 0.11000E+01 volume 0.10555E-02 ppm1 0.766 ppm2 3.620 CV 1 ASSI { 940} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 209 and name HB )) 3.700 3.700 2.300 peak 940 spectrum 1 weight 0.11000E+01 volume 0.30781E-02 ppm1 0.762 ppm2 2.172 CV 1 ASSI { 941} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 209 and name HG1%) 2.800 1.000 1.000 peak 941 spectrum 1 weight 0.11000E+01 volume 0.74706E-02 ppm1 0.761 ppm2 0.977 CV 1 ASSI { 944} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 212 and name HG1 )) 3.200 1.300 1.300 peak 944 spectrum 1 weight 0.11000E+01 volume 0.11497E-02 ppm1 0.761 ppm2 2.751 CV 1 ASSI { 945} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 213 and name HA )) 3.000 1.200 1.200 peak 945 spectrum 1 weight 0.11000E+01 volume 0.13751E-02 ppm1 0.755 ppm2 4.334 CV 1 ASSI { 946} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 213 and name HB2 )) 3.000 3.000 3.000 peak 946 spectrum 1 weight 0.11000E+01 volume 0.97651E-03 ppm1 0.753 ppm2 2.834 CV 1 ASSI { 947} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 216 and name HB1 )) 3.600 3.600 2.400 peak 947 spectrum 1 weight 0.11000E+01 volume 0.24578E-02 ppm1 0.761 ppm2 2.252 CV 1 ASSI { 948} (( segid " " and resid 161 and name HA )) (( segid " " and resid 131 and name HN )) 4.300 2.300 1.700 peak 948 spectrum 1 weight 0.10000E+01 volume 0.65157E-03 ppm1 5.585 ppm2 8.326 CV 1 ASSI { 949} (( segid " " and resid 161 and name HA )) (( segid " " and resid 128 and name HA )) 3.600 1.600 1.600 peak 949 spectrum 1 weight 0.11000E+01 volume 0.12379E-02 ppm1 5.583 ppm2 4.534 CV 1 ASSI { 950} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name HB1 )) 2.900 1.000 1.000 peak 950 spectrum 1 weight 0.11000E+01 volume 0.14379E-02 ppm1 5.582 ppm2 2.602 CV 1 ASSI { 951} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name HB2 )) 3.200 1.300 1.300 peak 951 spectrum 1 weight 0.11000E+01 volume 0.95059E-03 ppm1 5.575 ppm2 2.662 CV 1 ASSI { 952} (( segid " " and resid 161 and name HA )) ( segid " " and resid 161 and name HD% ) 3.500 1.500 1.500 peak 952 spectrum 1 weight 0.11000E+01 volume 0.89506E-03 ppm1 5.584 ppm2 6.895 CV 1 ASSI { 953} (( segid " " and resid 161 and name HA )) (( segid " " and resid 162 and name HB1 )) 4.300 2.300 1.700 peak 953 spectrum 1 weight 0.11000E+01 volume 0.45115E-03 ppm1 5.588 ppm2 2.869 CV 1 ASSI { 954} (( segid " " and resid 161 and name HA )) ( segid " " and resid 162 and name HD% ) 4.600 4.600 1.400 peak 954 spectrum 1 weight 0.11000E+01 volume 0.43601E-03 ppm1 5.584 ppm2 7.209 CV 1 ASSI { 955} (( segid " " and resid 161 and name HA )) ( segid " " and resid 181 and name HG2%) 4.400 2.400 1.600 peak 955 spectrum 1 weight 0.11000E+01 volume 0.86064E-03 ppm1 5.583 ppm2 0.268 CV 1 ASSI { 956} (( segid " " and resid 161 and name HA )) (( segid " " and resid 181 and name HG12)) 4.300 4.300 1.700 peak 956 spectrum 1 weight 0.11000E+01 volume 0.43984E-03 ppm1 5.582 ppm2 0.974 CV 1 ASSI { 958} (( segid " " and resid 161 and name HB1 )) (( segid " " and resid 178 and name HB2 )) 4.700 4.700 1.300 peak 958 spectrum 1 weight 0.11000E+01 volume 0.49155E-03 ppm1 2.573 ppm2 3.210 CV 1 ASSI { 959} (( segid " " and resid 161 and name HB1 )) ( segid " " and resid 127 and name HD% ) 4.100 4.100 1.900 peak 959 spectrum 1 weight 0.11000E+01 volume 0.46381E-03 ppm1 2.580 ppm2 6.838 CV 1 ASSI { 960} (( segid " " and resid 161 and name HB1 )) (( segid " " and resid 129 and name HA )) 4.200 2.200 1.800 peak 960 spectrum 1 weight 0.11000E+01 volume 0.57899E-03 ppm1 2.578 ppm2 4.519 CV 1 ASSI { 962} (( segid " " and resid 161 and name HB1 )) ( segid " " and resid 161 and name HD% ) 3.600 1.600 1.600 peak 962 spectrum 1 weight 0.11000E+01 volume 0.51874E-03 ppm1 2.589 ppm2 6.877 CV 1 ASSI { 964} (( segid " " and resid 161 and name HB1 )) (( segid " " and resid 182 and name HA )) 5.500 3.800 0.500 peak 964 spectrum 1 weight 0.11000E+01 volume 0.21716E-03 ppm1 2.604 ppm2 4.110 CV 1 ASSI { 965} (( segid " " and resid 161 and name HB1 )) ( segid " " and resid 182 and name HG2%) 5.400 3.600 0.600 peak 965 spectrum 1 weight 0.11000E+01 volume 0.46346E-03 ppm1 2.589 ppm2 1.504 CV 1 ASSI { 967} (( segid " " and resid 161 and name HB2 )) ( segid " " and resid 127 and name HD% ) 4.700 2.700 1.300 peak 967 spectrum 1 weight 0.11000E+01 volume 0.39068E-03 ppm1 2.652 ppm2 6.837 CV 1 ASSI { 969} (( segid " " and resid 161 and name HB2 )) ( segid " " and resid 161 and name HD% ) 3.500 1.600 1.600 peak 969 spectrum 1 weight 0.11000E+01 volume 0.54180E-03 ppm1 2.639 ppm2 6.905 CV 1 ASSI { 971} (( segid " " and resid 161 and name HB2 )) ( segid " " and resid 181 and name HG2%) 4.600 2.700 1.400 peak 971 spectrum 1 weight 0.11000E+01 volume 0.46744E-03 ppm1 2.642 ppm2 0.250 CV 1 ASSI { 972} (( segid " " and resid 162 and name HA )) (( segid " " and resid 127 and name HB1 )) 2.800 0.900 0.900 peak 972 spectrum 1 weight 0.11000E+01 volume 0.14274E-02 ppm1 4.867 ppm2 2.878 CV 1 ASSI { 973} (( segid " " and resid 162 and name HA )) (( segid " " and resid 127 and name HB2 )) 4.100 2.100 1.900 peak 973 spectrum 1 weight 0.11000E+01 volume 0.11878E-02 ppm1 4.870 ppm2 2.936 CV 1 ASSI { 974} (( segid " " and resid 162 and name HA )) (( segid " " and resid 128 and name HB2 )) 4.500 2.600 1.500 peak 974 spectrum 1 weight 0.11000E+01 volume 0.39083E-03 ppm1 4.874 ppm2 0.995 CV 1 ASSI { 975} (( segid " " and resid 162 and name HA )) (( segid " " and resid 178 and name HA )) 3.500 1.600 1.600 peak 975 spectrum 1 weight 0.11000E+01 volume 0.10288E-02 ppm1 4.867 ppm2 4.720 CV 1 ASSI { 977} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB1 )) 3.100 1.200 1.200 peak 977 spectrum 1 weight 0.11000E+01 volume 0.14381E-02 ppm1 4.867 ppm2 2.872 CV 1 ASSI { 978} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB2 )) 2.900 1.100 1.100 peak 978 spectrum 1 weight 0.11000E+01 volume 0.11762E-02 ppm1 4.867 ppm2 2.736 CV 1 ASSI { 979} (( segid " " and resid 162 and name HA )) ( segid " " and resid 162 and name HD% ) 4.400 2.500 1.600 peak 979 spectrum 1 weight 0.11000E+01 volume 0.55571E-03 ppm1 4.871 ppm2 7.202 CV 1 ASSI { 980} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HG1 )) 5.300 5.300 0.700 peak 980 spectrum 1 weight 0.11000E+01 volume 0.31845E-03 ppm1 4.849 ppm2 1.630 CV 1 ASSI { 982} (( segid " " and resid 162 and name HA )) ( segid " " and resid 181 and name HG2%) 4.100 2.100 1.900 peak 982 spectrum 1 weight 0.11000E+01 volume 0.53153E-03 ppm1 4.862 ppm2 0.266 CV 1 ASSI { 983} (( segid " " and resid 162 and name HA )) ( segid " " and resid 181 and name HD1%) 4.300 2.300 1.700 peak 983 spectrum 1 weight 0.11000E+01 volume 0.24330E-03 ppm1 4.862 ppm2 0.386 CV 1 ASSI { 986} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 163 and name HA )) 4.400 2.400 1.600 peak 986 spectrum 1 weight 0.11000E+01 volume 0.59481E-03 ppm1 2.854 ppm2 4.637 CV 1 ASSI { 987} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 178 and name HA )) 3.400 1.500 1.500 peak 987 spectrum 1 weight 0.11000E+01 volume 0.55135E-03 ppm1 2.857 ppm2 4.685 CV 1 ASSI { 988} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 178 and name HB2 )) 3.300 1.300 1.300 peak 988 spectrum 1 weight 0.11000E+01 volume 0.49992E-03 ppm1 2.859 ppm2 3.093 CV 1 ASSI { 990} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD% ) 3.400 1.500 1.500 peak 990 spectrum 1 weight 0.11000E+01 volume 0.47556E-03 ppm1 2.707 ppm2 7.192 CV 1 ASSI { 991} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 163 and name HA )) 4.200 2.200 1.800 peak 991 spectrum 1 weight 0.11000E+01 volume 0.51970E-03 ppm1 2.722 ppm2 4.637 CV 1 ASSI { 992} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 178 and name HA )) 3.900 1.900 1.900 peak 992 spectrum 1 weight 0.11000E+01 volume 0.48113E-03 ppm1 2.720 ppm2 4.685 CV 1 ASSI { 994} (( segid " " and resid 163 and name HA )) (( segid " " and resid 128 and name HG1 )) 3.900 1.900 1.900 peak 994 spectrum 1 weight 0.11000E+01 volume 0.89265E-03 ppm1 4.620 ppm2 2.194 CV 1 ASSI { 995} (( segid " " and resid 163 and name HA )) (( segid " " and resid 128 and name HG2 )) 4.000 2.000 2.000 peak 995 spectrum 1 weight 0.11000E+01 volume 0.10794E-02 ppm1 4.620 ppm2 2.008 CV 1 ASSI { 996} (( segid " " and resid 163 and name HA )) (( segid " " and resid 162 and name HA )) 3.600 1.600 1.600 peak 996 spectrum 1 weight 0.11000E+01 volume 0.10905E-02 ppm1 4.618 ppm2 4.900 CV 1 ASSI { 997} (( segid " " and resid 163 and name HA )) (( segid " " and resid 164 and name HD2 )) 3.300 1.300 1.300 peak 997 spectrum 1 weight 0.11000E+01 volume 0.55608E-02 ppm1 4.621 ppm2 3.629 CV 1 ASSI { 999} (( segid " " and resid 166 and name HA )) ( segid " " and resid 224 and name HB% ) 3.200 1.300 1.300 peak 999 spectrum 1 weight 0.10000E+01 volume 0.11329E-02 ppm1 4.611 ppm2 1.461 CV 1 ASSI { 1000} (( segid " " and resid 164 and name HA )) ( segid " " and resid 162 and name HD% ) 3.900 1.900 1.900 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.56180E-03 ppm1 4.600 ppm2 7.224 CV 1 ASSI { 1002} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HB1 )) 2.500 0.800 0.800 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.25641E-02 ppm1 4.596 ppm2 1.994 CV 1 ASSI { 1003} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HB2 )) 3.000 1.100 1.100 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.23627E-02 ppm1 4.594 ppm2 2.485 CV 1 ASSI { 1005} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HG1 )) 3.400 1.500 1.500 peak 1005 spectrum 1 weight 0.11000E+01 volume 0.21241E-02 ppm1 4.593 ppm2 2.096 CV 1 OR { 1005} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HG2 )) ASSI { 1006} (( segid " " and resid 164 and name HA )) ( segid " " and resid 165 and name HG1%) 5.100 5.100 0.900 peak 1006 spectrum 1 weight 0.11000E+01 volume 0.25072E-03 ppm1 4.617 ppm2 0.906 CV 1 ASSI { 1007} (( segid " " and resid 164 and name HA )) (( segid " " and resid 220 and name HG1 )) 4.300 2.300 1.700 peak 1007 spectrum 1 weight 0.11000E+01 volume 0.90483E-03 ppm1 4.590 ppm2 2.198 CV 1 ASSI { 1009} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 128 and name HB1 )) 3.700 1.700 1.700 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.16193E-02 ppm1 1.985 ppm2 1.549 CV 1 ASSI { 1012} (( segid " " and resid 164 and name HB1 )) ( segid " " and resid 165 and name HG1%) 3.400 1.500 1.500 peak 1012 spectrum 1 weight 0.11000E+01 volume 0.46093E-02 ppm1 1.985 ppm2 0.855 CV 1 ASSI { 1013} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 216 and name HG1 )) 3.400 3.400 2.600 peak 1013 spectrum 1 weight 0.11000E+01 volume 0.15302E-02 ppm1 1.985 ppm2 4.099 CV 1 ASSI { 1016} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 164 and name HB1 )) 2.100 0.500 0.500 peak 1016 spectrum 1 weight 0.11000E+01 volume 0.38353E-02 ppm1 2.500 ppm2 1.996 CV 1 ASSI { 1017} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 164 and name HD1 )) 4.300 2.300 1.700 peak 1017 spectrum 1 weight 0.11000E+01 volume 0.81238E-03 ppm1 2.499 ppm2 3.430 CV 1 ASSI { 1019} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 164 and name HA )) 3.600 1.600 1.600 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.90149E-03 ppm1 3.421 ppm2 4.621 CV 1 ASSI { 1020} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 164 and name HB1 )) 4.100 2.100 1.900 peak 1020 spectrum 1 weight 0.11000E+01 volume 0.78743E-03 ppm1 3.441 ppm2 1.997 CV 1 ASSI { 1021} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 164 and name HD2 )) 2.700 0.900 0.900 peak 1021 spectrum 1 weight 0.11000E+01 volume 0.95197E-03 ppm1 3.424 ppm2 3.677 CV 1 ASSI { 1022} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 227 and name HG2 )) 4.900 3.000 1.100 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.44190E-03 ppm1 3.419 ppm2 1.845 CV 1 OR { 1022} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 227 and name HB2 )) ASSI { 1023} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 164 and name HA )) 3.400 1.500 1.500 peak 1023 spectrum 1 weight 0.11000E+01 volume 0.96824E-03 ppm1 3.646 ppm2 4.617 CV 1 ASSI { 1029} (( segid " " and resid 165 and name HA )) (( segid " " and resid 168 and name HB1 )) 4.000 2.000 2.000 peak 1029 spectrum 1 weight 0.11000E+01 volume 0.99214E-03 ppm1 4.308 ppm2 3.296 CV 1 ASSI { 1030} (( segid " " and resid 165 and name HA )) (( segid " " and resid 168 and name HB2 )) 5.000 3.100 1.000 peak 1030 spectrum 1 weight 0.11000E+01 volume 0.28478E-03 ppm1 4.318 ppm2 3.031 CV 1 ASSI { 1031} (( segid " " and resid 165 and name HA )) ( segid " " and resid 168 and name HD% ) 3.500 1.500 1.500 peak 1031 spectrum 1 weight 0.11000E+01 volume 0.13244E-02 ppm1 4.321 ppm2 7.321 CV 1 ASSI { 1033} (( segid " " and resid 165 and name HB )) (( segid " " and resid 164 and name HD1 )) 4.100 4.100 1.900 peak 1033 spectrum 1 weight 0.11000E+01 volume 0.93628E-03 ppm1 2.104 ppm2 3.454 CV 1 ASSI { 1035} (( segid " " and resid 165 and name HB )) ( segid " " and resid 165 and name HG1%) 2.300 0.700 0.700 peak 1035 spectrum 1 weight 0.11000E+01 volume 0.54945E-02 ppm1 2.118 ppm2 0.857 CV 1 ASSI { 1037} (( segid " " and resid 165 and name HB )) ( segid " " and resid 168 and name HD% ) 4.300 2.300 1.700 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.27098E-03 ppm1 2.119 ppm2 7.304 CV 1 ASSI { 1038} (( segid " " and resid 165 and name HB )) ( segid " " and resid 174 and name HE% ) 5.000 3.100 1.000 peak 1038 spectrum 1 weight 0.11000E+01 volume 0.11512E-03 ppm1 2.115 ppm2 7.194 CV 1 ASSI { 1040} (( segid " " and resid 165 and name HB )) (( segid " " and resid 220 and name HB2 )) 4.700 2.700 1.300 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.64698E-03 ppm1 2.117 ppm2 1.764 CV 1 ASSI { 1041} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 220 and name HG2 )) 3.300 1.300 1.300 peak 1041 spectrum 1 weight 0.11000E+01 volume 0.10542E-02 ppm1 0.851 ppm2 2.418 CV 1 ASSI { 1042} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 216 and name HG1 )) 3.600 1.600 1.600 peak 1042 spectrum 1 weight 0.11000E+01 volume 0.20970E-02 ppm1 0.851 ppm2 1.622 CV 1 ASSI { 1044} ( segid " " and resid 165 and name HG1%) ( segid " " and resid 215 and name HG2%) 5.400 5.400 0.600 peak 1044 spectrum 1 weight 0.11000E+01 volume 0.31521E-03 ppm1 0.850 ppm2 1.222 CV 1 ASSI { 1046} ( segid " " and resid 165 and name HG1%) ( segid " " and resid 162 and name HD% ) 3.900 1.900 1.900 peak 1046 spectrum 1 weight 0.11000E+01 volume 0.11219E-02 ppm1 0.848 ppm2 7.180 CV 1 ASSI { 1047} ( segid " " and resid 165 and name HG1%) ( segid " " and resid 162 and name HE% ) 3.100 3.100 2.900 peak 1047 spectrum 1 weight 0.11000E+01 volume 0.20103E-02 ppm1 0.852 ppm2 6.623 CV 1 ASSI { 1048} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 163 and name HG1 )) 3.400 3.400 2.600 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.22028E-02 ppm1 0.852 ppm2 1.684 CV 1 ASSI { 1049} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 164 and name HG2 )) 3.300 3.300 2.700 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.10279E-01 ppm1 0.850 ppm2 2.044 CV 1 OR { 1049} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 164 and name HG1 )) ASSI { 1050} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 165 and name HA )) 3.100 1.200 1.200 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.33942E-02 ppm1 0.853 ppm2 4.320 CV 1 ASSI { 1051} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 166 and name HA )) 3.900 1.900 1.900 peak 1051 spectrum 1 weight 0.11000E+01 volume 0.11137E-02 ppm1 0.851 ppm2 4.606 CV 1 ASSI { 1053} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 166 and name HB2 )) 4.200 2.200 1.800 peak 1053 spectrum 1 weight 0.11000E+01 volume 0.10815E-02 ppm1 0.852 ppm2 2.695 CV 1 ASSI { 1055} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 167 and name HA )) 2.400 2.400 3.600 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.72481E-02 ppm1 0.848 ppm2 4.113 CV 1 ASSI { 1056} ( segid " " and resid 165 and name HG1%) ( segid " " and resid 168 and name HD% ) 4.000 2.000 2.000 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.11324E-02 ppm1 0.849 ppm2 7.321 CV 1 ASSI { 1057} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 168 and name HN )) 3.800 1.800 1.800 peak 1057 spectrum 1 weight 0.11000E+01 volume 0.13408E-02 ppm1 0.849 ppm2 7.890 CV 1 ASSI { 1058} ( segid " " and resid 165 and name HG1%) ( segid " " and resid 217 and name HD% ) 3.800 1.800 1.800 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.18508E-02 ppm1 0.853 ppm2 6.141 CV 1 ASSI { 1059} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 220 and name HB1 )) 2.000 0.500 0.500 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.93558E-02 ppm1 0.851 ppm2 2.121 CV 1 ASSI { 1061} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 221 and name HB1 )) 3.600 1.700 1.700 peak 1061 spectrum 1 weight 0.11000E+01 volume 0.10651E-02 ppm1 0.850 ppm2 3.577 CV 1 ASSI { 1064} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 168 and name HN )) 2.700 2.700 3.300 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.12908E-02 ppm1 0.861 ppm2 7.891 CV 1 ASSI { 1065} ( segid " " and resid 165 and name HG2%) ( segid " " and resid 162 and name HE% ) 3.700 3.700 2.300 peak 1065 spectrum 1 weight 0.11000E+01 volume 0.16002E-02 ppm1 0.862 ppm2 6.598 CV 1 ASSI { 1066} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 164 and name HB1 )) 4.100 4.100 1.900 peak 1066 spectrum 1 weight 0.11000E+01 volume 0.18413E-02 ppm1 0.859 ppm2 2.008 CV 1 ASSI { 1067} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 165 and name HA )) 2.800 1.000 1.000 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.26652E-02 ppm1 0.861 ppm2 4.316 CV 1 ASSI { 1068} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 166 and name HA )) 4.100 2.100 1.900 peak 1068 spectrum 1 weight 0.11000E+01 volume 0.94408E-03 ppm1 0.860 ppm2 4.615 CV 1 ASSI { 1069} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 166 and name HB2 )) 4.100 2.200 1.900 peak 1069 spectrum 1 weight 0.11000E+01 volume 0.11484E-02 ppm1 0.863 ppm2 2.681 CV 1 ASSI { 1070} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 167 and name HB2 )) 3.900 1.900 1.900 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.21697E-02 ppm1 0.860 ppm2 1.702 CV 1 ASSI { 1071} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 168 and name HB2 )) 3.700 1.700 1.700 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.95227E-03 ppm1 0.863 ppm2 3.024 CV 1 ASSI { 1072} ( segid " " and resid 165 and name HG2%) ( segid " " and resid 168 and name HD% ) 3.600 1.600 1.600 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.62230E-03 ppm1 0.856 ppm2 7.337 CV 1 ASSI { 1073} ( segid " " and resid 165 and name HG2%) ( segid " " and resid 174 and name HE% ) 3.500 1.600 1.600 peak 1073 spectrum 1 weight 0.11000E+01 volume 0.12464E-02 ppm1 0.858 ppm2 7.196 CV 1 ASSI { 1074} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 217 and name HA )) 3.300 1.300 1.300 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.18972E-02 ppm1 0.861 ppm2 2.931 CV 1 ASSI { 1075} ( segid " " and resid 165 and name HG2%) ( segid " " and resid 217 and name HD% ) 3.600 3.600 2.400 peak 1075 spectrum 1 weight 0.11000E+01 volume 0.14842E-02 ppm1 0.858 ppm2 6.149 CV 1 ASSI { 1076} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 220 and name HA )) 3.900 3.900 2.100 peak 1076 spectrum 1 weight 0.11000E+01 volume 0.13884E-02 ppm1 0.861 ppm2 4.080 CV 1 ASSI { 1077} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 220 and name HB1 )) 2.500 2.500 3.500 peak 1077 spectrum 1 weight 0.11000E+01 volume 0.88432E-02 ppm1 0.861 ppm2 2.132 CV 1 ASSI { 1078} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 220 and name HG2 )) 3.600 1.600 1.600 peak 1078 spectrum 1 weight 0.11000E+01 volume 0.12381E-02 ppm1 0.860 ppm2 2.411 CV 1 ASSI { 1079} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 221 and name HA )) 3.800 1.800 1.800 peak 1079 spectrum 1 weight 0.11000E+01 volume 0.19157E-02 ppm1 0.861 ppm2 3.953 CV 1 ASSI { 1080} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 221 and name HB1 )) 4.400 2.400 1.600 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.71293E-03 ppm1 0.864 ppm2 3.573 CV 1 ASSI { 1081} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 221 and name HB2 )) 4.700 2.700 1.300 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.81255E-03 ppm1 0.867 ppm2 3.356 CV 1 ASSI { 1082} ( segid " " and resid 165 and name HG2%) ( segid " " and resid 224 and name HB% ) 3.200 1.300 1.300 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.30613E-02 ppm1 0.859 ppm2 1.460 CV 1 ASSI { 1085} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HB1 )) 2.800 1.000 1.000 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.49153E-02 ppm1 4.612 ppm2 2.908 CV 1 ASSI { 1086} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HB2 )) 2.500 0.800 0.800 peak 1086 spectrum 1 weight 0.11000E+01 volume 0.50405E-02 ppm1 4.612 ppm2 2.691 CV 1 ASSI { 1087} (( segid " " and resid 166 and name HA )) (( segid " " and resid 167 and name HB1 )) 3.700 1.800 1.800 peak 1087 spectrum 1 weight 0.11000E+01 volume 0.47606E-03 ppm1 4.620 ppm2 1.886 CV 1 ASSI { 1088} (( segid " " and resid 166 and name HA )) (( segid " " and resid 167 and name HB2 )) 4.300 2.400 1.700 peak 1088 spectrum 1 weight 0.11000E+01 volume 0.80012E-03 ppm1 4.613 ppm2 1.710 CV 1 ASSI { 1089} (( segid " " and resid 166 and name HA )) (( segid " " and resid 167 and name HG1 )) 4.100 2.100 1.900 peak 1089 spectrum 1 weight 0.11000E+01 volume 0.94608E-03 ppm1 4.613 ppm2 2.218 CV 1 ASSI { 1092} (( segid " " and resid 166 and name HB1 )) ( segid " " and resid 165 and name HG1%) 4.800 2.900 1.200 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.42574E-03 ppm1 2.890 ppm2 0.874 CV 1 ASSI { 1094} (( segid " " and resid 166 and name HB1 )) (( segid " " and resid 166 and name HB2 )) 2.100 0.600 0.600 peak 1094 spectrum 1 weight 0.11000E+01 volume 0.65606E-02 ppm1 2.902 ppm2 2.693 CV 1 ASSI { 1098} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HB1 )) 2.700 0.900 0.900 peak 1098 spectrum 1 weight 0.11000E+01 volume 0.25281E-02 ppm1 4.107 ppm2 1.907 CV 1 ASSI { 1099} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HB2 )) 2.700 0.900 0.900 peak 1099 spectrum 1 weight 0.11000E+01 volume 0.20328E-02 ppm1 4.110 ppm2 1.728 CV 1 ASSI { 1100} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HG1 )) 3.200 1.300 1.300 peak 1100 spectrum 1 weight 0.11000E+01 volume 0.27792E-02 ppm1 4.114 ppm2 2.213 CV 1 ASSI { 1102} (( segid " " and resid 167 and name HG1 )) (( segid " " and resid 167 and name HB1 )) 2.900 1.000 1.000 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.40022E-02 ppm1 2.214 ppm2 1.925 CV 1 ASSI { 1103} (( segid " " and resid 167 and name HG1 )) (( segid " " and resid 167 and name HB2 )) 2.700 0.900 0.900 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.26261E-02 ppm1 2.212 ppm2 1.728 CV 1 ASSI { 1104} (( segid " " and resid 168 and name HA )) (( segid " " and resid 168 and name HB1 )) 3.100 1.200 1.200 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.16867E-02 ppm1 4.956 ppm2 3.320 CV 1 ASSI { 1105} (( segid " " and resid 168 and name HA )) (( segid " " and resid 168 and name HB2 )) 3.200 1.300 1.300 peak 1105 spectrum 1 weight 0.11000E+01 volume 0.14493E-02 ppm1 4.945 ppm2 3.066 CV 1 ASSI { 1106} (( segid " " and resid 168 and name HA )) ( segid " " and resid 168 and name HD% ) 3.300 1.400 1.400 peak 1106 spectrum 1 weight 0.11000E+01 volume 0.14783E-02 ppm1 4.951 ppm2 7.339 CV 1 ASSI { 1107} (( segid " " and resid 168 and name HA )) (( segid " " and resid 169 and name HA )) 4.400 2.500 1.600 peak 1107 spectrum 1 weight 0.11000E+01 volume 0.54543E-03 ppm1 4.946 ppm2 4.547 CV 1 ASSI { 1109} (( segid " " and resid 168 and name HB1 )) (( segid " " and resid 168 and name HB2 )) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.11000E+01 volume 0.20594E-02 ppm1 3.318 ppm2 2.996 CV 1 ASSI { 1110} (( segid " " and resid 168 and name HB1 )) ( segid " " and resid 168 and name HD% ) 3.600 1.700 1.700 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.63455E-03 ppm1 3.323 ppm2 7.336 CV 1 ASSI { 1113} (( segid " " and resid 168 and name HB2 )) ( segid " " and resid 168 and name HD% ) 3.700 1.700 1.700 peak 1113 spectrum 1 weight 0.11000E+01 volume 0.58145E-03 ppm1 3.061 ppm2 7.345 CV 1 ASSI { 1114} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HB1 )) 2.600 0.900 0.900 peak 1114 spectrum 1 weight 0.11000E+01 volume 0.45423E-02 ppm1 4.536 ppm2 3.998 CV 1 OR { 1114} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HB2 )) ASSI { 1115} (( segid " " and resid 170 and name HA )) (( segid " " and resid 169 and name HA )) 3.800 1.800 1.800 peak 1115 spectrum 1 weight 0.11000E+01 volume 0.82796E-03 ppm1 4.743 ppm2 4.514 CV 1 ASSI { 1116} (( segid " " and resid 170 and name HA )) (( segid " " and resid 170 and name HB1 )) 2.700 0.900 0.900 peak 1116 spectrum 1 weight 0.11000E+01 volume 0.30736E-02 ppm1 4.743 ppm2 3.182 CV 1 ASSI { 1117} (( segid " " and resid 170 and name HA )) (( segid " " and resid 170 and name HB2 )) 3.000 1.100 1.100 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.35313E-02 ppm1 4.748 ppm2 3.014 CV 1 ASSI { 1119} (( segid " " and resid 170 and name HB1 )) (( segid " " and resid 170 and name HB2 )) 2.300 0.700 0.700 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.34454E-02 ppm1 3.190 ppm2 2.995 CV 1 ASSI { 1124} (( segid " " and resid 171 and name HA )) (( segid " " and resid 171 and name HG2 )) 3.400 1.500 1.500 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.13056E-02 ppm1 3.746 ppm2 2.718 CV 1 ASSI { 1125} (( segid " " and resid 171 and name HA )) (( segid " " and resid 172 and name HN )) 4.200 2.300 1.800 peak 1125 spectrum 1 weight 0.11000E+01 volume 0.24870E-03 ppm1 3.743 ppm2 8.402 CV 1 ASSI { 1126} (( segid " " and resid 171 and name HA )) (( segid " " and resid 173 and name HB2 )) 4.700 2.700 1.300 peak 1126 spectrum 1 weight 0.11000E+01 volume 0.34128E-03 ppm1 3.743 ppm2 2.921 CV 1 ASSI { 1127} (( segid " " and resid 171 and name HA )) (( segid " " and resid 214 and name HA )) 4.800 2.800 1.200 peak 1127 spectrum 1 weight 0.11000E+01 volume 0.35621E-03 ppm1 3.743 ppm2 3.484 CV 1 ASSI { 1128} (( segid " " and resid 171 and name HG1 )) ( segid " " and resid 214 and name HD1%) 3.800 1.800 1.800 peak 1128 spectrum 1 weight 0.11000E+01 volume 0.11985E-02 ppm1 2.478 ppm2 0.836 CV 1 ASSI { 1129} (( segid " " and resid 171 and name HG1 )) (( segid " " and resid 171 and name HA )) 3.100 1.200 1.200 peak 1129 spectrum 1 weight 0.11000E+01 volume 0.17481E-02 ppm1 2.473 ppm2 3.747 CV 1 ASSI { 1130} (( segid " " and resid 171 and name HG1 )) (( segid " " and resid 171 and name HG2 )) 1.800 0.400 0.400 peak 1130 spectrum 1 weight 0.11000E+01 volume 0.72653E-02 ppm1 2.476 ppm2 2.721 CV 1 ASSI { 1131} (( segid " " and resid 171 and name HG1 )) ( segid " " and resid 215 and name HG2%) 5.000 3.100 1.000 peak 1131 spectrum 1 weight 0.11000E+01 volume 0.61340E-03 ppm1 2.473 ppm2 1.236 CV 1 ASSI { 1132} (( segid " " and resid 171 and name HG1 )) ( segid " " and resid 217 and name HD% ) 5.000 5.000 1.000 peak 1132 spectrum 1 weight 0.11000E+01 volume 0.35187E-03 ppm1 2.487 ppm2 6.152 CV 1 ASSI { 1136} (( segid " " and resid 171 and name HG2 )) (( segid " " and resid 217 and name HB2 )) 3.500 1.500 1.500 peak 1136 spectrum 1 weight 0.11000E+01 volume 0.18012E-02 ppm1 2.709 ppm2 2.084 CV 1 ASSI { 1137} (( segid " " and resid 171 and name HG2 )) ( segid " " and resid 217 and name HD% ) 4.600 4.600 1.400 peak 1137 spectrum 1 weight 0.11000E+01 volume 0.68009E-03 ppm1 2.723 ppm2 6.154 CV 1 ASSI { 1139} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name HB1 )) 2.700 0.900 0.900 peak 1139 spectrum 1 weight 0.11000E+01 volume 0.38618E-02 ppm1 4.204 ppm2 2.690 CV 1 ASSI { 1140} (( segid " " and resid 172 and name HA )) (( segid " " and resid 175 and name HB )) 2.600 0.800 0.800 peak 1140 spectrum 1 weight 0.11000E+01 volume 0.19448E-02 ppm1 4.202 ppm2 2.198 CV 1 ASSI { 1141} (( segid " " and resid 172 and name HA )) ( segid " " and resid 175 and name HG1%) 4.000 2.000 2.000 peak 1141 spectrum 1 weight 0.11000E+01 volume 0.16772E-02 ppm1 4.208 ppm2 1.057 CV 1 ASSI { 1143} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 174 and name HN )) 5.400 3.600 0.600 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.20268E-03 ppm1 2.669 ppm2 7.241 CV 1 ASSI { 1144} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 170 and name HB1 )) 4.600 2.600 1.400 peak 1144 spectrum 1 weight 0.11000E+01 volume 0.22869E-03 ppm1 2.654 ppm2 3.151 CV 1 ASSI { 1145} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 170 and name HB2 )) 4.200 2.200 1.800 peak 1145 spectrum 1 weight 0.11000E+01 volume 0.87152E-03 ppm1 2.656 ppm2 2.995 CV 1 ASSI { 1147} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 173 and name HN )) 3.700 1.700 1.700 peak 1147 spectrum 1 weight 0.11000E+01 volume 0.43208E-03 ppm1 2.666 ppm2 8.555 CV 1 ASSI { 1148} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 175 and name HB )) 5.200 3.400 0.800 peak 1148 spectrum 1 weight 0.11000E+01 volume 0.34619E-03 ppm1 2.654 ppm2 2.194 CV 1 ASSI { 1150} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 217 and name HA )) 4.500 2.600 1.500 peak 1150 spectrum 1 weight 0.11000E+01 volume 0.99513E-03 ppm1 2.654 ppm2 2.956 CV 1 ASSI { 1151} (( segid " " and resid 172 and name HB1 )) ( segid " " and resid 217 and name HD% ) 4.500 4.500 1.500 peak 1151 spectrum 1 weight 0.11000E+01 volume 0.29979E-03 ppm1 2.650 ppm2 6.169 CV 1 ASSI { 1152} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 172 and name HA )) 2.500 0.800 0.800 peak 1152 spectrum 1 weight 0.11000E+01 volume 0.18969E-02 ppm1 2.735 ppm2 4.207 CV 1 ASSI { 1153} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 175 and name HB )) 5.500 3.700 0.500 peak 1153 spectrum 1 weight 0.11000E+01 volume 0.20221E-03 ppm1 2.749 ppm2 2.194 CV 1 ASSI { 1154} (( segid " " and resid 172 and name HB2 )) ( segid " " and resid 175 and name HG2%) 5.700 4.000 0.300 peak 1154 spectrum 1 weight 0.11000E+01 volume 0.25548E-03 ppm1 2.743 ppm2 1.075 CV 1 ASSI { 1155} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 217 and name HA )) 4.900 2.900 1.100 peak 1155 spectrum 1 weight 0.11000E+01 volume 0.50516E-03 ppm1 2.742 ppm2 2.966 CV 1 ASSI { 1156} (( segid " " and resid 173 and name HA )) (( segid " " and resid 170 and name HA )) 3.600 3.600 2.400 peak 1156 spectrum 1 weight 0.11000E+01 volume 0.21940E-02 ppm1 4.557 ppm2 4.744 CV 1 ASSI { 1157} (( segid " " and resid 173 and name HA )) (( segid " " and resid 170 and name HB1 )) 2.900 2.900 3.100 peak 1157 spectrum 1 weight 0.11000E+01 volume 0.91132E-02 ppm1 4.559 ppm2 3.156 CV 1 ASSI { 1158} (( segid " " and resid 173 and name HA )) (( segid " " and resid 173 and name HB2 )) 3.100 1.200 1.200 peak 1158 spectrum 1 weight 0.11000E+01 volume 0.16895E-02 ppm1 4.572 ppm2 2.933 CV 1 ASSI { 1160} (( segid " " and resid 173 and name HB1 )) ( segid " " and resid 214 and name HD1%) 5.400 5.400 0.600 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.47082E-03 ppm1 3.223 ppm2 0.795 CV 1 ASSI { 1162} (( segid " " and resid 173 and name HB1 )) ( segid " " and resid 168 and name HD% ) 3.400 3.400 2.600 peak 1162 spectrum 1 weight 0.11000E+01 volume 0.14338E-02 ppm1 3.223 ppm2 7.340 CV 1 ASSI { 1163} (( segid " " and resid 173 and name HB1 )) (( segid " " and resid 173 and name HA )) 3.500 1.500 1.500 peak 1163 spectrum 1 weight 0.11000E+01 volume 0.11447E-02 ppm1 3.213 ppm2 4.587 CV 1 ASSI { 1164} (( segid " " and resid 173 and name HB1 )) (( segid " " and resid 173 and name HB2 )) 2.300 0.700 0.700 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.27441E-02 ppm1 3.205 ppm2 2.936 CV 1 ASSI { 1166} (( segid " " and resid 173 and name HB2 )) ( segid " " and resid 168 and name HD% ) 4.100 4.100 1.900 peak 1166 spectrum 1 weight 0.11000E+01 volume 0.60729E-03 ppm1 2.936 ppm2 7.337 CV 1 ASSI { 1169} (( segid " " and resid 175 and name HA )) (( segid " " and resid 175 and name HB )) 3.400 1.500 1.500 peak 1169 spectrum 1 weight 0.11000E+01 volume 0.69570E-03 ppm1 3.408 ppm2 2.185 CV 1 ASSI { 1170} (( segid " " and resid 175 and name HA )) ( segid " " and resid 175 and name HG1%) 2.600 0.900 0.900 peak 1170 spectrum 1 weight 0.11000E+01 volume 0.30005E-02 ppm1 3.413 ppm2 1.053 CV 1 ASSI { 1171} (( segid " " and resid 175 and name HA )) ( segid " " and resid 175 and name HG2%) 2.500 0.800 0.800 peak 1171 spectrum 1 weight 0.11000E+01 volume 0.30005E-02 ppm1 3.413 ppm2 1.053 CV 1 ASSI { 1172} (( segid " " and resid 175 and name HA )) (( segid " " and resid 178 and name HB2 )) 3.700 3.700 2.300 peak 1172 spectrum 1 weight 0.11000E+01 volume 0.72097E-03 ppm1 3.406 ppm2 3.203 CV 1 ASSI { 1173} (( segid " " and resid 175 and name HA )) (( segid " " and resid 213 and name HB1 )) 2.900 1.000 1.000 peak 1173 spectrum 1 weight 0.11000E+01 volume 0.11974E-02 ppm1 3.418 ppm2 3.528 CV 1 ASSI { 1174} (( segid " " and resid 175 and name HA )) (( segid " " and resid 213 and name HB2 )) 3.500 1.600 1.600 peak 1174 spectrum 1 weight 0.11000E+01 volume 0.11473E-02 ppm1 3.413 ppm2 2.870 CV 1 ASSI { 1175} (( segid " " and resid 175 and name HA )) (( segid " " and resid 214 and name HA )) 4.100 2.100 1.900 peak 1175 spectrum 1 weight 0.11000E+01 volume 0.22273E-02 ppm1 3.418 ppm2 3.454 CV 1 ASSI { 1176} (( segid " " and resid 175 and name HB )) (( segid " " and resid 171 and name HA )) 5.400 3.700 0.600 peak 1176 spectrum 1 weight 0.11000E+01 volume 0.15457E-03 ppm1 2.202 ppm2 3.767 CV 1 ASSI { 1178} (( segid " " and resid 175 and name HB )) (( segid " " and resid 174 and name HB1 )) 4.700 2.800 1.300 peak 1178 spectrum 1 weight 0.11000E+01 volume 0.45761E-03 ppm1 2.205 ppm2 2.756 CV 1 ASSI { 1179} (( segid " " and resid 175 and name HB )) (( segid " " and resid 174 and name HB2 )) 4.900 3.000 1.100 peak 1179 spectrum 1 weight 0.11000E+01 volume 0.30652E-03 ppm1 2.204 ppm2 2.868 CV 1 ASSI { 1181} (( segid " " and resid 175 and name HB )) (( segid " " and resid 176 and name HA )) 4.200 2.200 1.800 peak 1181 spectrum 1 weight 0.11000E+01 volume 0.87179E-03 ppm1 2.197 ppm2 4.324 CV 1 ASSI { 1182} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 211 and name HA )) 2.700 2.700 3.300 peak 1182 spectrum 1 weight 0.11000E+01 volume 0.82090E-02 ppm1 1.053 ppm2 3.923 CV 1 ASSI { 1184} ( segid " " and resid 175 and name HG1%) ( segid " " and resid 182 and name HG2%) 3.700 3.700 2.300 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.24376E-02 ppm1 1.055 ppm2 1.479 CV 1 ASSI { 1185} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 216 and name HG1 )) 4.100 2.100 1.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.17594E-02 ppm1 1.055 ppm2 1.598 CV 1 ASSI { 1191} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 172 and name HN )) 4.800 2.900 1.200 peak 1191 spectrum 1 weight 0.11000E+01 volume 0.89543E-03 ppm1 1.045 ppm2 8.404 CV 1 ASSI { 1192} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 173 and name HN )) 4.600 2.700 1.400 peak 1192 spectrum 1 weight 0.11000E+01 volume 0.68954E-03 ppm1 1.047 ppm2 8.543 CV 1 ASSI { 1193} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 174 and name HB2 )) 3.800 3.800 2.200 peak 1193 spectrum 1 weight 0.11000E+01 volume 0.20020E-02 ppm1 1.052 ppm2 2.905 CV 1 ASSI { 1196} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 175 and name HB )) 1.900 0.400 0.400 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.13513E-01 ppm1 1.051 ppm2 2.213 CV 1 ASSI { 1198} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 176 and name HB1 )) 4.000 2.000 2.000 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.12186E-02 ppm1 1.044 ppm2 3.361 CV 1 OR { 1198} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 176 and name HB2 )) ASSI { 1199} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 177 and name HA )) 4.300 4.300 1.700 peak 1199 spectrum 1 weight 0.11000E+01 volume 0.56095E-03 ppm1 1.049 ppm2 4.554 CV 1 ASSI { 1200} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 178 and name HB2 )) 4.400 4.400 1.600 peak 1200 spectrum 1 weight 0.11000E+01 volume 0.59262E-03 ppm1 1.047 ppm2 3.186 CV 1 ASSI { 1202} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 209 and name HN )) 3.900 1.900 1.900 peak 1202 spectrum 1 weight 0.11000E+01 volume 0.15575E-02 ppm1 1.048 ppm2 9.017 CV 1 ASSI { 1203} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 210 and name HN )) 4.000 2.000 2.000 peak 1203 spectrum 1 weight 0.11000E+01 volume 0.12577E-02 ppm1 1.051 ppm2 8.144 CV 1 ASSI { 1204} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 211 and name HN )) 4.300 2.300 1.700 peak 1204 spectrum 1 weight 0.11000E+01 volume 0.56559E-03 ppm1 1.046 ppm2 7.258 CV 1 ASSI { 1205} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 213 and name HA )) 4.000 2.000 2.000 peak 1205 spectrum 1 weight 0.11000E+01 volume 0.16368E-02 ppm1 1.050 ppm2 4.340 CV 1 ASSI { 1206} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 213 and name HB1 )) 2.300 0.600 0.600 peak 1206 spectrum 1 weight 0.11000E+01 volume 0.26632E-02 ppm1 1.046 ppm2 3.535 CV 1 ASSI { 1207} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 214 and name HB )) 2.800 1.000 1.000 peak 1207 spectrum 1 weight 0.11000E+01 volume 0.38010E-02 ppm1 1.049 ppm2 1.969 CV 1 ASSI { 1208} ( segid " " and resid 175 and name HG1%) ( segid " " and resid 215 and name HG2%) 3.200 3.200 2.800 peak 1208 spectrum 1 weight 0.11000E+01 volume 0.66290E-02 ppm1 1.048 ppm2 1.226 CV 1 ASSI { 1209} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 178 and name HB2 )) 4.300 2.300 1.700 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.72436E-03 ppm1 1.053 ppm2 3.103 CV 1 ASSI { 1212} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 171 and name HG1 )) 3.000 1.200 1.200 peak 1212 spectrum 1 weight 0.11000E+01 volume 0.75087E-03 ppm1 1.050 ppm2 2.467 CV 1 ASSI { 1213} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 172 and name HA )) 2.800 1.000 1.000 peak 1213 spectrum 1 weight 0.11000E+01 volume 0.79936E-03 ppm1 1.057 ppm2 4.244 CV 1 ASSI { 1214} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 172 and name HB1 )) 4.800 2.800 1.200 peak 1214 spectrum 1 weight 0.11000E+01 volume 0.10559E-02 ppm1 1.050 ppm2 2.683 CV 1 ASSI { 1215} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 172 and name HN )) 3.600 1.600 1.600 peak 1215 spectrum 1 weight 0.11000E+01 volume 0.10096E-02 ppm1 1.054 ppm2 8.405 CV 1 ASSI { 1216} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 174 and name HB2 )) 3.100 1.200 1.200 peak 1216 spectrum 1 weight 0.11000E+01 volume 0.16101E-02 ppm1 1.048 ppm2 2.873 CV 1 ASSI { 1217} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 174 and name HN )) 3.500 1.500 1.500 peak 1217 spectrum 1 weight 0.11000E+01 volume 0.13268E-02 ppm1 1.043 ppm2 7.209 CV 1 ASSI { 1219} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 175 and name HB )) 2.400 0.700 0.700 peak 1219 spectrum 1 weight 0.11000E+01 volume 0.35604E-02 ppm1 1.053 ppm2 2.183 CV 1 ASSI { 1220} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 175 and name HN )) 3.300 1.300 1.300 peak 1220 spectrum 1 weight 0.11000E+01 volume 0.69513E-03 ppm1 1.050 ppm2 8.841 CV 1 ASSI { 1221} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 177 and name HB1 )) 4.200 4.200 1.800 peak 1221 spectrum 1 weight 0.11000E+01 volume 0.79563E-03 ppm1 1.050 ppm2 3.015 CV 1 ASSI { 1222} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 214 and name HA )) 2.700 0.900 0.900 peak 1222 spectrum 1 weight 0.11000E+01 volume 0.21910E-02 ppm1 1.051 ppm2 3.503 CV 1 ASSI { 1223} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 214 and name HB )) 3.400 1.400 1.400 peak 1223 spectrum 1 weight 0.11000E+01 volume 0.20902E-02 ppm1 1.053 ppm2 2.008 CV 1 ASSI { 1224} ( segid " " and resid 175 and name HG2%) ( segid " " and resid 214 and name HG2%) 3.400 1.400 1.400 peak 1224 spectrum 1 weight 0.11000E+01 volume 0.59292E-02 ppm1 1.054 ppm2 0.866 CV 1 ASSI { 1225} (( segid " " and resid 176 and name HA )) ( segid " " and resid 175 and name HG1%) 3.400 1.400 1.400 peak 1225 spectrum 1 weight 0.11000E+01 volume 0.10280E-02 ppm1 4.308 ppm2 1.012 CV 1 ASSI { 1226} (( segid " " and resid 176 and name HA )) ( segid " " and resid 175 and name HG2%) 4.500 2.500 1.500 peak 1226 spectrum 1 weight 0.11000E+01 volume 0.11330E-02 ppm1 4.310 ppm2 1.065 CV 1 ASSI { 1227} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HB1 )) 2.800 1.000 1.000 peak 1227 spectrum 1 weight 0.11000E+01 volume 0.30145E-02 ppm1 4.316 ppm2 3.345 CV 1 OR { 1227} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HB2 )) ASSI { 1228} (( segid " " and resid 176 and name HA )) (( segid " " and resid 179 and name HB )) 3.400 1.500 1.500 peak 1228 spectrum 1 weight 0.11000E+01 volume 0.12545E-02 ppm1 4.311 ppm2 2.145 CV 1 ASSI { 1234} (( segid " " and resid 177 and name HA )) (( segid " " and resid 176 and name HA )) 4.000 2.000 2.000 peak 1234 spectrum 1 weight 0.11000E+01 volume 0.53325E-03 ppm1 4.576 ppm2 4.314 CV 1 ASSI { 1235} (( segid " " and resid 177 and name HA )) (( segid " " and resid 176 and name HB2 )) 4.500 2.500 1.500 peak 1235 spectrum 1 weight 0.11000E+01 volume 0.29992E-03 ppm1 4.581 ppm2 3.298 CV 1 OR { 1235} (( segid " " and resid 177 and name HA )) (( segid " " and resid 176 and name HB1 )) ASSI { 1236} (( segid " " and resid 177 and name HA )) (( segid " " and resid 177 and name HB1 )) 2.900 1.100 1.100 peak 1236 spectrum 1 weight 0.11000E+01 volume 0.34543E-02 ppm1 4.575 ppm2 2.976 CV 1 ASSI { 1238} (( segid " " and resid 177 and name HA )) ( segid " " and resid 179 and name HG2%) 4.700 2.800 1.300 peak 1238 spectrum 1 weight 0.11000E+01 volume 0.33390E-03 ppm1 4.575 ppm2 0.954 CV 1 ASSI { 1239} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HB1 )) 3.900 1.900 1.900 peak 1239 spectrum 1 weight 0.11000E+01 volume 0.23686E-02 ppm1 4.574 ppm2 2.834 CV 1 ASSI { 1240} (( segid " " and resid 177 and name HA )) (( segid " " and resid 178 and name HN )) 4.100 2.100 1.900 peak 1240 spectrum 1 weight 0.11000E+01 volume 0.38281E-03 ppm1 4.579 ppm2 8.126 CV 1 ASSI { 1244} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 176 and name HB2 )) 4.900 4.900 1.100 peak 1244 spectrum 1 weight 0.11000E+01 volume 0.51786E-03 ppm1 2.986 ppm2 3.298 CV 1 OR { 1244} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 176 and name HB1 )) ASSI { 1246} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 177 and name HN )) 3.900 1.900 1.900 peak 1246 spectrum 1 weight 0.11000E+01 volume 0.47669E-03 ppm1 2.970 ppm2 7.368 CV 1 ASSI { 1247} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 178 and name HN )) 3.400 1.400 1.400 peak 1247 spectrum 1 weight 0.11000E+01 volume 0.76658E-03 ppm1 2.981 ppm2 8.109 CV 1 ASSI { 1248} (( segid " " and resid 146 and name HA )) ( segid " " and resid 149 and name HD% ) 3.700 3.700 2.300 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.46478E-03 ppm1 4.701 ppm2 6.907 CV 1 ASSI { 1250} (( segid " " and resid 178 and name HA )) (( segid " " and resid 177 and name HN )) 3.800 1.800 1.800 peak 1250 spectrum 1 weight 0.11000E+01 volume 0.18498E-02 ppm1 4.668 ppm2 7.381 CV 1 ASSI { 1252} (( segid " " and resid 178 and name HA )) (( segid " " and resid 178 and name HB2 )) 3.700 3.700 2.300 peak 1252 spectrum 1 weight 0.11000E+01 volume 0.31821E-03 ppm1 4.679 ppm2 3.112 CV 1 ASSI { 1253} (( segid " " and resid 178 and name HA )) (( segid " " and resid 180 and name HB1 )) 3.800 3.800 2.200 peak 1253 spectrum 1 weight 0.11000E+01 volume 0.25290E-02 ppm1 4.676 ppm2 2.855 CV 1 ASSI { 1254} (( segid " " and resid 178 and name HA )) (( segid " " and resid 181 and name HB )) 4.900 3.000 1.100 peak 1254 spectrum 1 weight 0.11000E+01 volume 0.57523E-03 ppm1 4.708 ppm2 1.623 CV 1 ASSI { 1255} (( segid " " and resid 178 and name HA )) (( segid " " and resid 181 and name HG11)) 3.500 1.500 1.500 peak 1255 spectrum 1 weight 0.11000E+01 volume 0.24205E-03 ppm1 4.706 ppm2 0.826 CV 1 ASSI { 1256} (( segid " " and resid 178 and name HA )) (( segid " " and resid 181 and name HG12)) 3.900 1.900 1.900 peak 1256 spectrum 1 weight 0.11000E+01 volume 0.39190E-03 ppm1 4.706 ppm2 0.972 CV 1 ASSI { 1260} (( segid " " and resid 178 and name HB1 )) (( segid " " and resid 178 and name HA )) 3.700 1.700 1.700 peak 1260 spectrum 1 weight 0.11000E+01 volume 0.46704E-03 ppm1 3.227 ppm2 4.702 CV 1 ASSI { 1261} (( segid " " and resid 178 and name HB1 )) (( segid " " and resid 178 and name HN )) 3.700 1.700 1.700 peak 1261 spectrum 1 weight 0.11000E+01 volume 0.34939E-03 ppm1 3.248 ppm2 8.099 CV 1 ASSI { 1265} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 178 and name HN )) 4.100 4.100 1.900 peak 1265 spectrum 1 weight 0.11000E+01 volume 0.43230E-03 ppm1 2.872 ppm2 8.100 CV 1 ASSI { 1266} (( segid " " and resid 178 and name HB2 )) ( segid " " and resid 179 and name HG1%) 4.800 4.800 1.200 peak 1266 spectrum 1 weight 0.11000E+01 volume 0.42468E-03 ppm1 2.873 ppm2 1.035 CV 1 ASSI { 1267} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 182 and name HB )) 4.400 4.400 1.600 peak 1267 spectrum 1 weight 0.11000E+01 volume 0.31431E-03 ppm1 2.871 ppm2 4.519 CV 1 ASSI { 1268} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 213 and name HA )) 4.600 4.600 1.400 peak 1268 spectrum 1 weight 0.11000E+01 volume 0.31649E-03 ppm1 2.871 ppm2 4.373 CV 1 ASSI { 1270} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name HB )) 2.800 1.000 1.000 peak 1270 spectrum 1 weight 0.11000E+01 volume 0.21634E-02 ppm1 3.660 ppm2 2.176 CV 1 ASSI { 1271} (( segid " " and resid 179 and name HA )) ( segid " " and resid 175 and name HG1%) 3.300 1.400 1.400 peak 1271 spectrum 1 weight 0.11000E+01 volume 0.33213E-02 ppm1 3.682 ppm2 1.031 CV 1 ASSI { 1273} (( segid " " and resid 179 and name HA )) (( segid " " and resid 182 and name HB )) 3.200 1.200 1.200 peak 1273 spectrum 1 weight 0.11000E+01 volume 0.61671E-03 ppm1 3.682 ppm2 4.494 CV 1 ASSI { 1275} (( segid " " and resid 179 and name HA )) (( segid " " and resid 209 and name HB )) 3.400 1.500 1.500 peak 1275 spectrum 1 weight 0.11000E+01 volume 0.21634E-02 ppm1 3.660 ppm2 2.176 CV 1 ASSI { 1277} (( segid " " and resid 179 and name HA )) (( segid " " and resid 210 and name HA )) 3.900 1.900 1.900 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.16810E-02 ppm1 3.652 ppm2 3.567 CV 1 ASSI { 1278} (( segid " " and resid 179 and name HA )) (( segid " " and resid 210 and name HN )) 5.100 3.200 0.900 peak 1278 spectrum 1 weight 0.11000E+01 volume 0.41433E-03 ppm1 3.665 ppm2 8.143 CV 1 ASSI { 1279} (( segid " " and resid 209 and name HA )) (( segid " " and resid 211 and name HB1 )) 4.700 2.700 1.300 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.29914E-03 ppm1 3.653 ppm2 2.350 CV 1 ASSI { 1280} (( segid " " and resid 209 and name HA )) (( segid " " and resid 212 and name HG2 )) 4.200 2.200 1.800 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.48997E-03 ppm1 3.653 ppm2 2.462 CV 1 ASSI { 1281} (( segid " " and resid 209 and name HA )) (( segid " " and resid 212 and name HG1 )) 4.200 2.200 1.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.25984E-03 ppm1 3.663 ppm2 2.731 CV 1 ASSI { 1286} (( segid " " and resid 179 and name HB )) (( segid " " and resid 206 and name HA )) 4.200 2.200 1.800 peak 1286 spectrum 1 weight 0.11000E+01 volume 0.65463E-03 ppm1 2.161 ppm2 3.611 CV 1 ASSI { 1287} (( segid " " and resid 179 and name HB )) ( segid " " and resid 209 and name HG1%) 3.200 1.300 1.300 peak 1287 spectrum 1 weight 0.11000E+01 volume 0.37301E-02 ppm1 2.158 ppm2 0.953 CV 1 ASSI { 1288} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 178 and name HB1 )) 4.400 2.400 1.600 peak 1288 spectrum 1 weight 0.11000E+01 volume 0.69859E-03 ppm1 1.073 ppm2 3.225 CV 1 ASSI { 1289} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 175 and name HA )) 4.000 2.000 2.000 peak 1289 spectrum 1 weight 0.11000E+01 volume 0.12095E-02 ppm1 1.066 ppm2 3.386 CV 1 ASSI { 1290} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 176 and name HA )) 3.900 1.900 1.900 peak 1290 spectrum 1 weight 0.11000E+01 volume 0.12009E-02 ppm1 1.074 ppm2 4.322 CV 1 ASSI { 1291} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 176 and name HN )) 4.500 4.500 1.500 peak 1291 spectrum 1 weight 0.11000E+01 volume 0.61275E-03 ppm1 1.076 ppm2 8.358 CV 1 ASSI { 1292} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 179 and name HA )) 2.400 0.700 0.700 peak 1292 spectrum 1 weight 0.11000E+01 volume 0.44470E-02 ppm1 1.076 ppm2 3.684 CV 1 ASSI { 1293} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 179 and name HB )) 2.200 0.600 0.600 peak 1293 spectrum 1 weight 0.11000E+01 volume 0.84613E-02 ppm1 1.075 ppm2 2.144 CV 1 ASSI { 1294} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 180 and name HB2 )) 4.100 2.100 1.900 peak 1294 spectrum 1 weight 0.11000E+01 volume 0.11726E-02 ppm1 1.071 ppm2 2.873 CV 1 ASSI { 1295} ( segid " " and resid 179 and name HG1%) ( segid " " and resid 181 and name HD1%) 4.700 2.800 1.300 peak 1295 spectrum 1 weight 0.11000E+01 volume 0.88407E-03 ppm1 1.073 ppm2 0.391 CV 1 ASSI { 1296} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 182 and name HA )) 5.500 5.500 0.500 peak 1296 spectrum 1 weight 0.11000E+01 volume 0.28080E-03 ppm1 1.073 ppm2 4.070 CV 1 ASSI { 1297} ( segid " " and resid 179 and name HG1%) ( segid " " and resid 182 and name HG2%) 4.300 2.300 1.700 peak 1297 spectrum 1 weight 0.11000E+01 volume 0.80789E-03 ppm1 1.076 ppm2 1.481 CV 1 ASSI { 1298} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 183 and name HA )) 3.400 1.400 1.400 peak 1298 spectrum 1 weight 0.11000E+01 volume 0.52654E-02 ppm1 1.075 ppm2 3.583 CV 1 ASSI { 1299} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 183 and name HB )) 3.300 1.400 1.400 peak 1299 spectrum 1 weight 0.11000E+01 volume 0.29894E-02 ppm1 1.073 ppm2 2.272 CV 1 ASSI { 1300} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 208 and name HA )) 3.300 3.300 2.700 peak 1300 spectrum 1 weight 0.11000E+01 volume 0.29072E-02 ppm1 1.071 ppm2 3.479 CV 1 ASSI { 1301} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 210 and name HB1 )) 3.200 1.300 1.300 peak 1301 spectrum 1 weight 0.11000E+01 volume 0.59623E-02 ppm1 1.076 ppm2 2.204 CV 1 ASSI { 1302} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 210 and name HN )) 3.100 1.200 1.200 peak 1302 spectrum 1 weight 0.11000E+01 volume 0.15183E-02 ppm1 1.076 ppm2 8.145 CV 1 ASSI { 1303} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 211 and name HA )) 3.000 3.000 3.000 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.63902E-02 ppm1 0.959 ppm2 3.920 CV 1 ASSI { 1305} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 206 and name HG1 )) 4.200 2.200 1.800 peak 1305 spectrum 1 weight 0.11000E+01 volume 0.16257E-02 ppm1 0.949 ppm2 2.578 CV 1 ASSI { 1306} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 210 and name HG2 )) 3.400 1.400 1.400 peak 1306 spectrum 1 weight 0.11000E+01 volume 0.35619E-02 ppm1 0.949 ppm2 2.028 CV 1 ASSI { 1308} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 210 and name HB2 )) 2.500 0.800 0.800 peak 1308 spectrum 1 weight 0.11000E+01 volume 0.30779E-02 ppm1 0.951 ppm2 1.935 CV 1 ASSI { 1311} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 175 and name HB )) 2.700 2.700 3.300 peak 1311 spectrum 1 weight 0.11000E+01 volume 0.11601E-01 ppm1 0.955 ppm2 2.204 CV 1 ASSI { 1312} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 176 and name HA )) 2.700 0.900 0.900 peak 1312 spectrum 1 weight 0.11000E+01 volume 0.27747E-02 ppm1 0.952 ppm2 4.312 CV 1 ASSI { 1313} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 179 and name HA )) 2.500 0.800 0.800 peak 1313 spectrum 1 weight 0.11000E+01 volume 0.59872E-02 ppm1 0.951 ppm2 3.638 CV 1 ASSI { 1314} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 179 and name HB )) 2.200 0.600 0.600 peak 1314 spectrum 1 weight 0.11000E+01 volume 0.92675E-02 ppm1 0.954 ppm2 2.140 CV 1 ASSI { 1316} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 184 and name HD2 )) 2.700 2.700 3.300 peak 1316 spectrum 1 weight 0.11000E+01 volume 0.13076E-02 ppm1 0.949 ppm2 1.632 CV 1 OR { 1316} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 184 and name HD1 )) ASSI { 1317} ( segid " " and resid 179 and name HG2%) ( segid " " and resid 181 and name HD1%) 3.800 1.800 1.800 peak 1317 spectrum 1 weight 0.11000E+01 volume 0.21711E-02 ppm1 0.953 ppm2 0.446 CV 1 ASSI { 1320} ( segid " " and resid 179 and name HG2%) ( segid " " and resid 182 and name HG2%) 3.800 1.800 1.800 peak 1320 spectrum 1 weight 0.11000E+01 volume 0.34097E-02 ppm1 0.950 ppm2 1.492 CV 1 ASSI { 1321} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 183 and name HB )) 3.000 3.000 3.000 peak 1321 spectrum 1 weight 0.11000E+01 volume 0.92262E-02 ppm1 0.957 ppm2 2.277 CV 1 ASSI { 1322} ( segid " " and resid 179 and name HG2%) ( segid " " and resid 209 and name HG2%) 3.400 1.400 1.400 peak 1322 spectrum 1 weight 0.11000E+01 volume 0.69047E-02 ppm1 0.951 ppm2 1.202 CV 1 ASSI { 1323} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 210 and name HN )) 3.600 1.600 1.600 peak 1323 spectrum 1 weight 0.11000E+01 volume 0.97864E-03 ppm1 0.956 ppm2 8.141 CV 1 ASSI { 1325} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 213 and name HB2 )) 4.100 2.100 1.900 peak 1325 spectrum 1 weight 0.11000E+01 volume 0.80268E-03 ppm1 0.953 ppm2 2.868 CV 1 ASSI { 1327} (( segid " " and resid 180 and name HA )) (( segid " " and resid 180 and name HB1 )) 2.600 0.800 0.800 peak 1327 spectrum 1 weight 0.11000E+01 volume 0.38641E-02 ppm1 4.311 ppm2 2.841 CV 1 ASSI { 1328} (( segid " " and resid 180 and name HA )) (( segid " " and resid 181 and name HG12)) 4.500 2.500 1.500 peak 1328 spectrum 1 weight 0.11000E+01 volume 0.15878E-02 ppm1 4.309 ppm2 0.967 CV 1 ASSI { 1329} (( segid " " and resid 180 and name HA )) (( segid " " and resid 182 and name HB )) 3.500 3.500 2.500 peak 1329 spectrum 1 weight 0.11000E+01 volume 0.19345E-02 ppm1 4.313 ppm2 4.456 CV 1 ASSI { 1330} (( segid " " and resid 180 and name HA )) (( segid " " and resid 183 and name HB )) 4.400 2.500 1.600 peak 1330 spectrum 1 weight 0.11000E+01 volume 0.65628E-03 ppm1 4.313 ppm2 2.287 CV 1 ASSI { 1332} (( segid " " and resid 180 and name HA )) (( segid " " and resid 184 and name HB2 )) 3.700 3.700 2.300 peak 1332 spectrum 1 weight 0.11000E+01 volume 0.70418E-03 ppm1 4.313 ppm2 1.920 CV 1 ASSI { 1333} (( segid " " and resid 180 and name HA )) (( segid " " and resid 184 and name HG1 )) 5.000 3.100 1.000 peak 1333 spectrum 1 weight 0.11000E+01 volume 0.60225E-03 ppm1 4.310 ppm2 1.490 CV 1 ASSI { 1338} (( segid " " and resid 180 and name HB1 )) (( segid " " and resid 181 and name HA )) 4.100 4.100 1.900 peak 1338 spectrum 1 weight 0.11000E+01 volume 0.30950E-03 ppm1 2.796 ppm2 3.721 CV 1 ASSI { 1340} (( segid " " and resid 180 and name HB1 )) (( segid " " and resid 181 and name HG12)) 5.100 3.200 0.900 peak 1340 spectrum 1 weight 0.11000E+01 volume 0.60408E-03 ppm1 2.796 ppm2 0.978 CV 1 ASSI { 1341} (( segid " " and resid 180 and name HB2 )) (( segid " " and resid 177 and name HA )) 2.800 1.000 1.000 peak 1341 spectrum 1 weight 0.11000E+01 volume 0.14384E-02 ppm1 2.865 ppm2 4.578 CV 1 ASSI { 1342} (( segid " " and resid 180 and name HB2 )) (( segid " " and resid 179 and name HB )) 5.100 3.200 0.900 peak 1342 spectrum 1 weight 0.11000E+01 volume 0.26180E-03 ppm1 2.877 ppm2 2.136 CV 1 ASSI { 1343} (( segid " " and resid 180 and name HB2 )) ( segid " " and resid 179 and name HG2%) 4.600 2.600 1.400 peak 1343 spectrum 1 weight 0.11000E+01 volume 0.53859E-03 ppm1 2.873 ppm2 0.954 CV 1 ASSI { 1344} (( segid " " and resid 180 and name HB2 )) (( segid " " and resid 180 and name HA )) 3.000 1.100 1.100 peak 1344 spectrum 1 weight 0.11000E+01 volume 0.25554E-02 ppm1 2.867 ppm2 4.315 CV 1 ASSI { 1345} (( segid " " and resid 180 and name HB2 )) (( segid " " and resid 180 and name HN )) 3.900 1.900 1.900 peak 1345 spectrum 1 weight 0.11000E+01 volume 0.18877E-03 ppm1 2.859 ppm2 7.664 CV 1 ASSI { 1346} (( segid " " and resid 180 and name HB2 )) (( segid " " and resid 181 and name HB )) 5.300 5.300 0.700 peak 1346 spectrum 1 weight 0.11000E+01 volume 0.23213E-03 ppm1 2.862 ppm2 1.601 CV 1 ASSI { 1347} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HB )) 2.800 1.000 1.000 peak 1347 spectrum 1 weight 0.11000E+01 volume 0.15782E-02 ppm1 3.765 ppm2 1.595 CV 1 ASSI { 1349} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HG11)) 3.900 1.900 1.900 peak 1349 spectrum 1 weight 0.11000E+01 volume 0.68566E-03 ppm1 3.763 ppm2 0.860 CV 1 ASSI { 1350} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HG12)) 4.200 2.200 1.800 peak 1350 spectrum 1 weight 0.11000E+01 volume 0.99290E-03 ppm1 3.763 ppm2 0.993 CV 1 ASSI { 1352} (( segid " " and resid 181 and name HA )) (( segid " " and resid 182 and name HA )) 3.700 1.800 1.800 peak 1352 spectrum 1 weight 0.11000E+01 volume 0.86293E-03 ppm1 3.763 ppm2 4.069 CV 1 ASSI { 1353} (( segid " " and resid 181 and name HA )) ( segid " " and resid 183 and name HG2%) 4.300 2.300 1.700 peak 1353 spectrum 1 weight 0.11000E+01 volume 0.95427E-03 ppm1 3.768 ppm2 0.942 CV 1 ASSI { 1354} (( segid " " and resid 181 and name HA )) (( segid " " and resid 184 and name HB2 )) 2.600 0.800 0.800 peak 1354 spectrum 1 weight 0.11000E+01 volume 0.18028E-02 ppm1 3.769 ppm2 1.905 CV 1 ASSI { 1355} (( segid " " and resid 181 and name HB )) (( segid " " and resid 161 and name HB2 )) 4.100 2.100 1.900 peak 1355 spectrum 1 weight 0.11000E+01 volume 0.34674E-03 ppm1 1.621 ppm2 2.613 CV 1 ASSI { 1358} (( segid " " and resid 181 and name HB )) (( segid " " and resid 182 and name HN )) 3.600 1.600 1.600 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.88561E-03 ppm1 1.618 ppm2 8.130 CV 1 ASSI { 1359} (( segid " " and resid 181 and name HB )) (( segid " " and resid 180 and name HB1 )) 4.700 2.800 1.300 peak 1359 spectrum 1 weight 0.11000E+01 volume 0.40433E-03 ppm1 1.622 ppm2 2.857 CV 1 ASSI { 1362} (( segid " " and resid 181 and name HB )) ( segid " " and resid 181 and name HD1%) 2.600 0.900 0.900 peak 1362 spectrum 1 weight 0.11000E+01 volume 0.15442E-02 ppm1 1.617 ppm2 0.411 CV 1 ASSI { 1363} (( segid " " and resid 181 and name HB )) (( segid " " and resid 181 and name HG11)) 3.100 1.200 1.200 peak 1363 spectrum 1 weight 0.11000E+01 volume 0.14767E-02 ppm1 1.615 ppm2 0.825 CV 1 ASSI { 1364} (( segid " " and resid 181 and name HB )) (( segid " " and resid 181 and name HG12)) 2.700 0.900 0.900 peak 1364 spectrum 1 weight 0.11000E+01 volume 0.15840E-02 ppm1 1.617 ppm2 1.014 CV 1 ASSI { 1368} (( segid " " and resid 181 and name HB )) (( segid " " and resid 184 and name HB2 )) 4.800 2.900 1.200 peak 1368 spectrum 1 weight 0.11000E+01 volume 0.24381E-03 ppm1 1.611 ppm2 1.901 CV 1 ASSI { 1369} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HE1 )) 4.000 2.000 2.000 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.15487E-02 ppm1 0.411 ppm2 2.904 CV 1 OR { 1369} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HE2 )) ASSI { 1372} ( segid " " and resid 181 and name HD1%) ( segid " " and resid 124 and name HD2%) 2.600 0.800 0.800 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.67147E-02 ppm1 0.409 ppm2 0.562 CV 1 ASSI { 1373} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 161 and name HB2 )) 3.400 1.500 1.500 peak 1373 spectrum 1 weight 0.11000E+01 volume 0.32942E-03 ppm1 0.417 ppm2 2.624 CV 1 ASSI { 1376} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 177 and name HA )) 2.600 2.600 3.400 peak 1376 spectrum 1 weight 0.11000E+01 volume 0.51118E-03 ppm1 0.413 ppm2 4.584 CV 1 ASSI { 1377} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 178 and name HA )) 3.700 1.700 1.700 peak 1377 spectrum 1 weight 0.11000E+01 volume 0.55718E-03 ppm1 0.404 ppm2 4.685 CV 1 ASSI { 1378} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 178 and name HN )) 4.300 2.300 1.700 peak 1378 spectrum 1 weight 0.11000E+01 volume 0.76303E-03 ppm1 0.410 ppm2 8.132 CV 1 ASSI { 1379} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 180 and name HB1 )) 4.400 2.400 1.600 peak 1379 spectrum 1 weight 0.11000E+01 volume 0.13467E-02 ppm1 0.404 ppm2 2.829 CV 1 ASSI { 1380} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 181 and name HA )) 3.000 1.100 1.100 peak 1380 spectrum 1 weight 0.11000E+01 volume 0.51611E-02 ppm1 0.409 ppm2 3.767 CV 1 ASSI { 1381} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 181 and name HG11)) 2.100 0.500 0.500 peak 1381 spectrum 1 weight 0.11000E+01 volume 0.75035E-02 ppm1 0.410 ppm2 0.837 CV 1 ASSI { 1382} ( segid " " and resid 181 and name HD1%) ( segid " " and resid 181 and name HG2%) 2.900 1.100 1.100 peak 1382 spectrum 1 weight 0.11000E+01 volume 0.96661E-02 ppm1 0.411 ppm2 0.269 CV 1 ASSI { 1383} ( segid " " and resid 181 and name HD1%) ( segid " " and resid 182 and name HG2%) 4.400 2.400 1.600 peak 1383 spectrum 1 weight 0.11000E+01 volume 0.91077E-03 ppm1 0.413 ppm2 1.456 CV 1 ASSI { 1384} ( segid " " and resid 181 and name HD1%) ( segid " " and resid 183 and name HG1%) 3.400 1.500 1.500 peak 1384 spectrum 1 weight 0.11000E+01 volume 0.66300E-02 ppm1 0.408 ppm2 0.986 CV 1 ASSI { 1385} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 182 and name HA )) 3.600 1.600 1.600 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.56804E-03 ppm1 0.403 ppm2 4.051 CV 1 ASSI { 1386} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HB1 )) 4.300 2.300 1.700 peak 1386 spectrum 1 weight 0.11000E+01 volume 0.13474E-02 ppm1 0.410 ppm2 1.976 CV 1 ASSI { 1387} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HB2 )) 3.900 3.900 2.100 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.14487E-02 ppm1 0.411 ppm2 1.924 CV 1 ASSI { 1389} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 185 and name HB2 )) 4.200 2.200 1.800 peak 1389 spectrum 1 weight 0.11000E+01 volume 0.47804E-03 ppm1 0.398 ppm2 2.153 CV 1 OR { 1389} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 185 and name HB1 )) ASSI { 1394} (( segid " " and resid 181 and name HG11)) (( segid " " and resid 181 and name HG12)) 1.900 0.400 0.400 peak 1394 spectrum 1 weight 0.11000E+01 volume 0.44937E-02 ppm1 0.823 ppm2 0.990 CV 1 ASSI { 1399} (( segid " " and resid 181 and name HG12)) ( segid " " and resid 181 and name HD1%) 2.400 0.700 0.700 peak 1399 spectrum 1 weight 0.11000E+01 volume 0.28228E-02 ppm1 0.994 ppm2 0.409 CV 1 ASSI { 1402} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 182 and name HB )) 5.400 3.600 0.600 peak 1402 spectrum 1 weight 0.11000E+01 volume 0.68070E-03 ppm1 0.250 ppm2 4.497 CV 1 ASSI { 1404} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 127 and name HB2 )) 3.300 3.300 2.700 peak 1404 spectrum 1 weight 0.11000E+01 volume 0.14983E-02 ppm1 0.245 ppm2 2.902 CV 1 ASSI { 1406} ( segid " " and resid 181 and name HG2%) ( segid " " and resid 124 and name HD2%) 3.200 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.22506E-02 ppm1 0.247 ppm2 0.568 CV 1 ASSI { 1408} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 161 and name HB1 )) 3.200 1.300 1.300 peak 1408 spectrum 1 weight 0.11000E+01 volume 0.40711E-02 ppm1 0.246 ppm2 2.608 CV 1 ASSI { 1411} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 178 and name HA )) 4.100 2.100 1.900 peak 1411 spectrum 1 weight 0.11000E+01 volume 0.12761E-02 ppm1 0.248 ppm2 4.711 CV 1 ASSI { 1412} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 178 and name HN )) 3.600 3.600 2.400 peak 1412 spectrum 1 weight 0.11000E+01 volume 0.16827E-02 ppm1 0.239 ppm2 8.140 CV 1 ASSI { 1413} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 180 and name HB1 )) 3.200 1.300 1.300 peak 1413 spectrum 1 weight 0.11000E+01 volume 0.16002E-02 ppm1 0.249 ppm2 2.824 CV 1 ASSI { 1415} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HA )) 2.700 0.900 0.900 peak 1415 spectrum 1 weight 0.11000E+01 volume 0.33105E-02 ppm1 0.247 ppm2 3.766 CV 1 ASSI { 1416} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HB )) 2.500 0.800 0.800 peak 1416 spectrum 1 weight 0.11000E+01 volume 0.35824E-02 ppm1 0.249 ppm2 1.564 CV 1 ASSI { 1418} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HG11)) 2.700 0.900 0.900 peak 1418 spectrum 1 weight 0.11000E+01 volume 0.37977E-02 ppm1 0.254 ppm2 0.853 CV 1 ASSI { 1419} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HG12)) 2.600 0.900 0.900 peak 1419 spectrum 1 weight 0.11000E+01 volume 0.27197E-02 ppm1 0.239 ppm2 0.981 CV 1 ASSI { 1420} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 182 and name HA )) 4.100 2.200 1.900 peak 1420 spectrum 1 weight 0.11000E+01 volume 0.14461E-02 ppm1 0.248 ppm2 4.098 CV 1 ASSI { 1422} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 184 and name HB2 )) 3.900 1.900 1.900 peak 1422 spectrum 1 weight 0.11000E+01 volume 0.16136E-02 ppm1 0.249 ppm2 1.915 CV 1 ASSI { 1423} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 184 and name HD2 )) 3.200 3.200 2.800 peak 1423 spectrum 1 weight 0.11000E+01 volume 0.56554E-02 ppm1 0.249 ppm2 1.614 CV 1 OR { 1423} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 184 and name HD1 )) ASSI { 1424} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 185 and name HB2 )) 3.800 1.800 1.800 peak 1424 spectrum 1 weight 0.11000E+01 volume 0.16122E-02 ppm1 0.249 ppm2 2.111 CV 1 OR { 1424} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 185 and name HB1 )) ASSI { 1425} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 185 and name HN )) 4.100 2.100 1.900 peak 1425 spectrum 1 weight 0.11000E+01 volume 0.97087E-03 ppm1 0.251 ppm2 8.317 CV 1 ASSI { 1427} (( segid " " and resid 182 and name HA )) (( segid " " and resid 161 and name HB2 )) 4.100 2.100 1.900 peak 1427 spectrum 1 weight 0.11000E+01 volume 0.55746E-03 ppm1 4.099 ppm2 2.626 CV 1 ASSI { 1428} (( segid " " and resid 182 and name HA )) ( segid " " and resid 161 and name HD% ) 3.400 1.400 1.400 peak 1428 spectrum 1 weight 0.11000E+01 volume 0.10156E-02 ppm1 4.099 ppm2 6.917 CV 1 ASSI { 1429} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HN )) 3.200 1.300 1.300 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.81049E-03 ppm1 4.100 ppm2 8.132 CV 1 ASSI { 1430} (( segid " " and resid 182 and name HA )) (( segid " " and resid 181 and name HB )) 3.100 1.200 1.200 peak 1430 spectrum 1 weight 0.11000E+01 volume 0.20910E-02 ppm1 4.066 ppm2 1.636 CV 1 ASSI { 1435} (( segid " " and resid 182 and name HA )) ( segid " " and resid 183 and name HG2%) 3.200 3.200 2.800 peak 1435 spectrum 1 weight 0.11000E+01 volume 0.46321E-02 ppm1 4.070 ppm2 0.895 CV 1 ASSI { 1436} (( segid " " and resid 182 and name HA )) (( segid " " and resid 184 and name HB1 )) 4.400 2.400 1.600 peak 1436 spectrum 1 weight 0.11000E+01 volume 0.74565E-03 ppm1 4.063 ppm2 1.935 CV 1 ASSI { 1437} (( segid " " and resid 182 and name HA )) (( segid " " and resid 184 and name HD2 )) 4.100 2.100 1.900 peak 1437 spectrum 1 weight 0.11000E+01 volume 0.92274E-03 ppm1 4.095 ppm2 1.627 CV 1 OR { 1437} (( segid " " and resid 182 and name HA )) (( segid " " and resid 184 and name HD1 )) ASSI { 1438} (( segid " " and resid 182 and name HA )) ( segid " " and resid 209 and name HG1%) 4.200 2.200 1.800 peak 1438 spectrum 1 weight 0.11000E+01 volume 0.15135E-02 ppm1 4.098 ppm2 0.943 CV 1 ASSI { 1439} (( segid " " and resid 182 and name HA )) ( segid " " and resid 209 and name HG2%) 5.000 3.100 1.000 peak 1439 spectrum 1 weight 0.11000E+01 volume 0.74060E-03 ppm1 4.100 ppm2 1.222 CV 1 ASSI { 1441} (( segid " " and resid 182 and name HB )) ( segid " " and resid 179 and name HG2%) 4.300 2.300 1.700 peak 1441 spectrum 1 weight 0.11000E+01 volume 0.81991E-03 ppm1 4.504 ppm2 0.971 CV 1 ASSI { 1442} (( segid " " and resid 182 and name HB )) (( segid " " and resid 182 and name HA )) 3.000 1.100 1.100 peak 1442 spectrum 1 weight 0.11000E+01 volume 0.15240E-02 ppm1 4.501 ppm2 4.104 CV 1 ASSI { 1445} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 210 and name HN )) 4.700 2.700 1.300 peak 1445 spectrum 1 weight 0.11000E+01 volume 0.89317E-03 ppm1 1.487 ppm2 8.124 CV 1 ASSI { 1447} ( segid " " and resid 182 and name HG2%) ( segid " " and resid 209 and name HG2%) 2.300 0.700 0.700 peak 1447 spectrum 1 weight 0.11000E+01 volume 0.49779E-02 ppm1 1.482 ppm2 1.241 CV 1 ASSI { 1448} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 205 and name HG2 )) 3.000 1.100 1.100 peak 1448 spectrum 1 weight 0.11000E+01 volume 0.81686E-03 ppm1 1.481 ppm2 2.072 CV 1 ASSI { 1449} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 160 and name HA )) 2.900 1.100 1.100 peak 1449 spectrum 1 weight 0.11000E+01 volume 0.33012E-02 ppm1 1.484 ppm2 4.929 CV 1 ASSI { 1450} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 160 and name HB )) 3.900 1.900 1.900 peak 1450 spectrum 1 weight 0.11000E+01 volume 0.16983E-02 ppm1 1.483 ppm2 2.608 CV 1 ASSI { 1451} ( segid " " and resid 182 and name HG2%) ( segid " " and resid 160 and name HG1%) 2.300 0.600 0.600 peak 1451 spectrum 1 weight 0.11000E+01 volume 0.64481E-02 ppm1 1.483 ppm2 0.947 CV 1 ASSI { 1453} ( segid " " and resid 182 and name HG2%) ( segid " " and resid 161 and name HD% ) 3.900 1.900 1.900 peak 1453 spectrum 1 weight 0.11000E+01 volume 0.12659E-02 ppm1 1.483 ppm2 6.907 CV 1 ASSI { 1454} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 178 and name HB2 )) 4.400 4.400 1.600 peak 1454 spectrum 1 weight 0.11000E+01 volume 0.58634E-03 ppm1 1.482 ppm2 3.179 CV 1 ASSI { 1455} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 179 and name HA )) 3.200 1.300 1.300 peak 1455 spectrum 1 weight 0.11000E+01 volume 0.14579E-02 ppm1 1.483 ppm2 3.647 CV 1 ASSI { 1457} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 182 and name HA )) 2.900 1.000 1.000 peak 1457 spectrum 1 weight 0.11000E+01 volume 0.23850E-02 ppm1 1.482 ppm2 4.097 CV 1 ASSI { 1458} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 182 and name HB )) 2.400 0.700 0.700 peak 1458 spectrum 1 weight 0.11000E+01 volume 0.31009E-02 ppm1 1.483 ppm2 4.509 CV 1 ASSI { 1459} ( segid " " and resid 182 and name HG2%) ( segid " " and resid 183 and name HG2%) 3.300 1.400 1.400 peak 1459 spectrum 1 weight 0.11000E+01 volume 0.64481E-02 ppm1 1.483 ppm2 0.947 CV 1 ASSI { 1460} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 184 and name HB2 )) 4.400 4.400 1.600 peak 1460 spectrum 1 weight 0.11000E+01 volume 0.11038E-02 ppm1 1.481 ppm2 1.908 CV 1 ASSI { 1461} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 185 and name HB1 )) 3.900 1.900 1.900 peak 1461 spectrum 1 weight 0.11000E+01 volume 0.87333E-03 ppm1 1.484 ppm2 2.172 CV 1 OR { 1461} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 185 and name HB2 )) ASSI { 1462} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 185 and name HG1 )) 3.800 1.800 1.800 peak 1462 spectrum 1 weight 0.11000E+01 volume 0.94836E-03 ppm1 1.485 ppm2 2.359 CV 1 ASSI { 1463} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 186 and name HB2 )) 3.800 1.800 1.800 peak 1463 spectrum 1 weight 0.11000E+01 volume 0.47699E-03 ppm1 1.482 ppm2 3.392 CV 1 ASSI { 1464} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 209 and name HB )) 4.000 2.000 2.000 peak 1464 spectrum 1 weight 0.11000E+01 volume 0.85540E-03 ppm1 1.481 ppm2 2.198 CV 1 ASSI { 1466} (( segid " " and resid 183 and name HA )) ( segid " " and resid 182 and name HG2%) 3.200 1.300 1.300 peak 1466 spectrum 1 weight 0.11000E+01 volume 0.10931E-02 ppm1 3.614 ppm2 1.491 CV 1 ASSI { 1467} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HB )) 2.900 1.100 1.100 peak 1467 spectrum 1 weight 0.11000E+01 volume 0.10578E-02 ppm1 3.608 ppm2 2.300 CV 1 ASSI { 1468} (( segid " " and resid 183 and name HA )) ( segid " " and resid 183 and name HG1%) 2.700 0.900 0.900 peak 1468 spectrum 1 weight 0.11000E+01 volume 0.39722E-02 ppm1 3.614 ppm2 0.993 CV 1 ASSI { 1469} (( segid " " and resid 183 and name HA )) (( segid " " and resid 186 and name HB1 )) 4.400 2.500 1.600 peak 1469 spectrum 1 weight 0.11000E+01 volume 0.49583E-03 ppm1 3.608 ppm2 3.154 CV 1 ASSI { 1470} (( segid " " and resid 183 and name HA )) (( segid " " and resid 186 and name HB2 )) 3.100 1.200 1.200 peak 1470 spectrum 1 weight 0.11000E+01 volume 0.85039E-03 ppm1 3.607 ppm2 3.430 CV 1 ASSI { 1471} (( segid " " and resid 183 and name HA )) ( segid " " and resid 209 and name HG2%) 4.900 3.000 1.100 peak 1471 spectrum 1 weight 0.11000E+01 volume 0.59684E-03 ppm1 3.610 ppm2 1.192 CV 1 ASSI { 1478} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 138 and name HN )) 3.400 1.400 1.400 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.18350E-02 ppm1 1.029 ppm2 6.951 CV 1 ASSI { 1479} ( segid " " and resid 183 and name HG1%) ( segid " " and resid 160 and name HG2%) 3.800 3.800 2.200 peak 1479 spectrum 1 weight 0.11000E+01 volume 0.38217E-02 ppm1 1.030 ppm2 0.757 CV 1 ASSI { 1480} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 180 and name HA )) 3.400 1.500 1.500 peak 1480 spectrum 1 weight 0.11000E+01 volume 0.67926E-03 ppm1 1.036 ppm2 4.295 CV 1 ASSI { 1483} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 185 and name HB1 )) 3.400 3.400 2.600 peak 1483 spectrum 1 weight 0.11000E+01 volume 0.53714E-02 ppm1 1.033 ppm2 2.112 CV 1 OR { 1483} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 185 and name HB2 )) ASSI { 1484} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 185 and name HG2 )) 4.700 2.800 1.300 peak 1484 spectrum 1 weight 0.11000E+01 volume 0.60426E-03 ppm1 1.035 ppm2 2.555 CV 1 ASSI { 1485} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 185 and name HN )) 4.200 2.200 1.800 peak 1485 spectrum 1 weight 0.11000E+01 volume 0.22870E-02 ppm1 1.027 ppm2 8.299 CV 1 ASSI { 1486} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 186 and name HB1 )) 5.100 3.300 0.900 peak 1486 spectrum 1 weight 0.11000E+01 volume 0.44047E-03 ppm1 1.035 ppm2 3.151 CV 1 ASSI { 1487} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 205 and name HA )) 3.700 1.700 1.700 peak 1487 spectrum 1 weight 0.11000E+01 volume 0.21867E-02 ppm1 1.031 ppm2 3.445 CV 1 ASSI { 1489} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 205 and name HB1 )) 3.500 1.500 1.500 peak 1489 spectrum 1 weight 0.11000E+01 volume 0.23300E-02 ppm1 0.946 ppm2 2.003 CV 1 ASSI { 1491} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 180 and name HA )) 3.100 1.200 1.200 peak 1491 spectrum 1 weight 0.11000E+01 volume 0.16637E-02 ppm1 0.954 ppm2 4.309 CV 1 ASSI { 1492} ( segid " " and resid 183 and name HG2%) ( segid " " and resid 181 and name HD1%) 4.400 2.400 1.600 peak 1492 spectrum 1 weight 0.11000E+01 volume 0.12713E-02 ppm1 0.948 ppm2 0.425 CV 1 ASSI { 1493} ( segid " " and resid 183 and name HG2%) ( segid " " and resid 181 and name HG2%) 4.900 3.000 1.100 peak 1493 spectrum 1 weight 0.11000E+01 volume 0.45548E-03 ppm1 0.948 ppm2 0.210 CV 1 ASSI { 1495} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 182 and name HB )) 4.300 2.300 1.700 peak 1495 spectrum 1 weight 0.11000E+01 volume 0.85200E-03 ppm1 0.954 ppm2 4.451 CV 1 ASSI { 1496} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 183 and name HA )) 3.100 1.200 1.200 peak 1496 spectrum 1 weight 0.11000E+01 volume 0.25355E-02 ppm1 0.946 ppm2 3.625 CV 1 ASSI { 1497} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 183 and name HB )) 2.000 0.500 0.500 peak 1497 spectrum 1 weight 0.11000E+01 volume 0.87912E-02 ppm1 0.946 ppm2 2.287 CV 1 ASSI { 1498} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 184 and name HA )) 3.100 1.200 1.200 peak 1498 spectrum 1 weight 0.11000E+01 volume 0.36979E-02 ppm1 0.949 ppm2 4.045 CV 1 ASSI { 1499} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 184 and name HB2 )) 3.600 1.600 1.600 peak 1499 spectrum 1 weight 0.11000E+01 volume 0.16460E-02 ppm1 0.947 ppm2 1.901 CV 1 ASSI { 1501} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 184 and name HG1 )) 4.000 2.000 2.000 peak 1501 spectrum 1 weight 0.11000E+01 volume 0.28429E-02 ppm1 0.949 ppm2 1.505 CV 1 ASSI { 1502} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 184 and name HG2 )) 4.100 2.100 1.900 peak 1502 spectrum 1 weight 0.11000E+01 volume 0.19724E-02 ppm1 0.948 ppm2 1.432 CV 1 ASSI { 1504} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 185 and name HG2 )) 4.500 2.500 1.500 peak 1504 spectrum 1 weight 0.11000E+01 volume 0.75718E-03 ppm1 0.950 ppm2 2.555 CV 1 ASSI { 1505} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 186 and name HB1 )) 4.800 2.900 1.200 peak 1505 spectrum 1 weight 0.11000E+01 volume 0.39093E-03 ppm1 0.947 ppm2 3.171 CV 1 ASSI { 1507} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 205 and name HA )) 4.800 2.900 1.200 peak 1507 spectrum 1 weight 0.11000E+01 volume 0.80754E-03 ppm1 0.946 ppm2 3.440 CV 1 ASSI { 1508} (( segid " " and resid 184 and name HA )) (( segid " " and resid 184 and name HB1 )) 2.300 0.700 0.700 peak 1508 spectrum 1 weight 0.11000E+01 volume 0.48333E-02 ppm1 4.052 ppm2 1.967 CV 1 ASSI { 1509} (( segid " " and resid 184 and name HA )) (( segid " " and resid 184 and name HB2 )) 2.500 0.800 0.800 peak 1509 spectrum 1 weight 0.11000E+01 volume 0.43177E-02 ppm1 4.051 ppm2 1.906 CV 1 ASSI { 1512} (( segid " " and resid 184 and name HA )) (( segid " " and resid 185 and name HB2 )) 3.100 3.100 2.900 peak 1512 spectrum 1 weight 0.11000E+01 volume 0.45856E-02 ppm1 4.044 ppm2 2.121 CV 1 OR { 1512} (( segid " " and resid 184 and name HA )) (( segid " " and resid 185 and name HB1 )) ASSI { 1513} (( segid " " and resid 184 and name HA )) (( segid " " and resid 185 and name HG1 )) 3.700 3.700 2.300 peak 1513 spectrum 1 weight 0.11000E+01 volume 0.17957E-02 ppm1 4.043 ppm2 2.348 CV 1 ASSI { 1514} (( segid " " and resid 184 and name HA )) ( segid " " and resid 187 and name HG2%) 3.000 1.200 1.200 peak 1514 spectrum 1 weight 0.11000E+01 volume 0.86839E-03 ppm1 4.051 ppm2 1.270 CV 1 ASSI { 1515} (( segid " " and resid 184 and name HA )) ( segid " " and resid 188 and name HG2%) 3.500 1.500 1.500 peak 1515 spectrum 1 weight 0.11000E+01 volume 0.15458E-02 ppm1 4.042 ppm2 0.737 CV 1 ASSI { 1516} (( segid " " and resid 184 and name HB1 )) (( segid " " and resid 181 and name HA )) 3.500 1.500 1.500 peak 1516 spectrum 1 weight 0.11000E+01 volume 0.16417E-02 ppm1 1.960 ppm2 3.787 CV 1 ASSI { 1517} (( segid " " and resid 184 and name HB1 )) (( segid " " and resid 181 and name HB )) 3.300 1.300 1.300 peak 1517 spectrum 1 weight 0.11000E+01 volume 0.38054E-02 ppm1 1.957 ppm2 1.604 CV 1 ASSI { 1518} (( segid " " and resid 184 and name HB1 )) ( segid " " and resid 183 and name HG2%) 4.800 2.900 1.200 peak 1518 spectrum 1 weight 0.11000E+01 volume 0.11065E-02 ppm1 1.958 ppm2 0.914 CV 1 ASSI { 1524} (( segid " " and resid 184 and name HB2 )) (( segid " " and resid 184 and name HE2 )) 4.100 2.100 1.900 peak 1524 spectrum 1 weight 0.11000E+01 volume 0.55598E-03 ppm1 1.870 ppm2 2.907 CV 1 OR { 1524} (( segid " " and resid 184 and name HB2 )) (( segid " " and resid 184 and name HE1 )) ASSI { 1525} (( segid " " and resid 203 and name HD1 )) ( segid " " and resid 200 and name HG2%) 3.300 3.300 2.700 peak 1525 spectrum 1 weight 0.11000E+01 volume 0.94332E-03 ppm1 1.657 ppm2 0.649 CV 1 OR { 1525} (( segid " " and resid 203 and name HD2 )) ( segid " " and resid 200 and name HG2%) ASSI { 1526} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 181 and name HA )) 4.000 2.000 2.000 peak 1526 spectrum 1 weight 0.11000E+01 volume 0.12485E-02 ppm1 1.662 ppm2 3.797 CV 1 OR { 1526} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 181 and name HA )) ASSI { 1527} (( segid " " and resid 184 and name HD2 )) ( segid " " and resid 181 and name HD1%) 4.500 2.500 1.500 peak 1527 spectrum 1 weight 0.11000E+01 volume 0.89308E-03 ppm1 1.633 ppm2 0.411 CV 1 OR { 1527} (( segid " " and resid 184 and name HD1 )) ( segid " " and resid 181 and name HD1%) ASSI { 1529} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 184 and name HA )) 2.400 0.700 0.700 peak 1529 spectrum 1 weight 0.11000E+01 volume 0.25370E-02 ppm1 1.653 ppm2 4.059 CV 1 OR { 1529} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 184 and name HA )) ASSI { 1530} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 184 and name HE1 )) 2.100 0.500 0.500 peak 1530 spectrum 1 weight 0.11000E+01 volume 0.10128E-01 ppm1 1.654 ppm2 2.932 CV 1 OR { 1530} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 184 and name HE2 )) OR { 1530} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 184 and name HE1 )) OR { 1530} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 184 and name HE2 )) ASSI { 1535} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 181 and name HA )) 3.800 1.800 1.800 peak 1535 spectrum 1 weight 0.11000E+01 volume 0.11174E-02 ppm1 2.915 ppm2 3.778 CV 1 OR { 1535} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 181 and name HA )) ASSI { 1537} (( segid " " and resid 184 and name HE1 )) ( segid " " and resid 182 and name HG2%) 3.500 3.500 2.500 peak 1537 spectrum 1 weight 0.11000E+01 volume 0.49253E-02 ppm1 2.917 ppm2 1.460 CV 1 OR { 1537} (( segid " " and resid 184 and name HE2 )) ( segid " " and resid 182 and name HG2%) ASSI { 1538} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 183 and name HA )) 5.000 3.100 1.000 peak 1538 spectrum 1 weight 0.11000E+01 volume 0.46842E-03 ppm1 2.917 ppm2 3.611 CV 1 OR { 1538} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 183 and name HA )) ASSI { 1539} (( segid " " and resid 184 and name HE1 )) ( segid " " and resid 183 and name HG1%) 3.400 1.400 1.400 peak 1539 spectrum 1 weight 0.11000E+01 volume 0.22185E-02 ppm1 2.917 ppm2 1.031 CV 1 OR { 1539} (( segid " " and resid 184 and name HE2 )) ( segid " " and resid 183 and name HG1%) ASSI { 1540} (( segid " " and resid 184 and name HE1 )) ( segid " " and resid 183 and name HG2%) 3.300 1.300 1.300 peak 1540 spectrum 1 weight 0.11000E+01 volume 0.14294E-02 ppm1 2.913 ppm2 0.919 CV 1 OR { 1540} (( segid " " and resid 184 and name HE2 )) ( segid " " and resid 183 and name HG2%) ASSI { 1541} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 184 and name HA )) 4.000 2.000 2.000 peak 1541 spectrum 1 weight 0.11000E+01 volume 0.14282E-02 ppm1 2.924 ppm2 4.060 CV 1 OR { 1541} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 184 and name HA )) ASSI { 1542} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 184 and name HB1 )) 4.000 2.000 2.000 peak 1542 spectrum 1 weight 0.11000E+01 volume 0.21062E-02 ppm1 2.915 ppm2 1.923 CV 1 OR { 1542} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 184 and name HB1 )) ASSI { 1544} (( segid " " and resid 184 and name HE1 )) ( segid " " and resid 187 and name HG2%) 4.200 2.200 1.800 peak 1544 spectrum 1 weight 0.11000E+01 volume 0.15036E-02 ppm1 2.915 ppm2 1.324 CV 1 OR { 1544} (( segid " " and resid 184 and name HE2 )) ( segid " " and resid 187 and name HG2%) ASSI { 1547} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HA )) 2.700 0.900 0.900 peak 1547 spectrum 1 weight 0.11000E+01 volume 0.18641E-02 ppm1 1.494 ppm2 4.065 CV 1 ASSI { 1548} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HB1 )) 2.200 2.200 3.800 peak 1548 spectrum 1 weight 0.11000E+01 volume 0.42937E-02 ppm1 1.496 ppm2 1.935 CV 1 ASSI { 1549} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HE2 )) 3.500 1.500 1.500 peak 1549 spectrum 1 weight 0.11000E+01 volume 0.18423E-02 ppm1 1.491 ppm2 2.932 CV 1 OR { 1549} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HE1 )) ASSI { 1550} (( segid " " and resid 184 and name HG2 )) ( segid " " and resid 183 and name HG1%) 4.500 2.600 1.500 peak 1550 spectrum 1 weight 0.11000E+01 volume 0.10458E-02 ppm1 1.430 ppm2 1.026 CV 1 ASSI { 1551} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HA )) 3.500 1.600 1.600 peak 1551 spectrum 1 weight 0.11000E+01 volume 0.19316E-02 ppm1 1.428 ppm2 4.065 CV 1 ASSI { 1552} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HB1 )) 2.600 0.800 0.800 peak 1552 spectrum 1 weight 0.11000E+01 volume 0.33819E-02 ppm1 1.428 ppm2 1.935 CV 1 ASSI { 1553} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HE2 )) 2.900 1.000 1.000 peak 1553 spectrum 1 weight 0.11000E+01 volume 0.12566E-02 ppm1 1.428 ppm2 2.941 CV 1 OR { 1553} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HE1 )) ASSI { 1554} (( segid " " and resid 219 and name HB1 )) (( segid " " and resid 216 and name HA )) 3.400 1.500 1.500 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.11196E-02 ppm1 2.129 ppm2 3.679 CV 1 ASSI { 1555} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 181 and name HA )) 4.600 2.700 1.400 peak 1555 spectrum 1 weight 0.11000E+01 volume 0.32766E-03 ppm1 2.129 ppm2 3.796 CV 1 OR { 1555} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 181 and name HA )) ASSI { 1556} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 181 and name HG11)) 3.000 3.000 3.000 peak 1556 spectrum 1 weight 0.11000E+01 volume 0.22985E-03 ppm1 2.132 ppm2 0.806 CV 1 OR { 1556} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 181 and name HG11)) ASSI { 1557} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 185 and name HA )) 2.700 0.900 0.900 peak 1557 spectrum 1 weight 0.11000E+01 volume 0.25255E-02 ppm1 2.129 ppm2 4.021 CV 1 OR { 1557} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 185 and name HA )) ASSI { 1558} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HA )) 3.800 1.800 1.800 peak 1558 spectrum 1 weight 0.11000E+01 volume 0.61711E-03 ppm1 2.128 ppm2 4.607 CV 1 OR { 1558} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 186 and name HA )) ASSI { 1559} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HB2 )) 4.200 2.200 1.800 peak 1559 spectrum 1 weight 0.11000E+01 volume 0.57623E-03 ppm1 2.130 ppm2 3.414 CV 1 OR { 1559} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 186 and name HB2 )) ASSI { 1560} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HE1 )) 4.300 2.300 1.700 peak 1560 spectrum 1 weight 0.11000E+01 volume 0.29561E-03 ppm1 2.142 ppm2 7.843 CV 1 OR { 1560} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 186 and name HE1 )) ASSI { 1562} (( segid " " and resid 186 and name HA )) (( segid " " and resid 186 and name HB1 )) 2.800 1.000 1.000 peak 1562 spectrum 1 weight 0.11000E+01 volume 0.17399E-02 ppm1 4.582 ppm2 3.153 CV 1 ASSI { 1563} (( segid " " and resid 186 and name HA )) (( segid " " and resid 186 and name HB2 )) 3.000 1.100 1.100 peak 1563 spectrum 1 weight 0.11000E+01 volume 0.19757E-02 ppm1 4.584 ppm2 3.383 CV 1 ASSI { 1564} (( segid " " and resid 186 and name HA )) (( segid " " and resid 187 and name HA )) 3.800 1.900 1.900 peak 1564 spectrum 1 weight 0.11000E+01 volume 0.57619E-03 ppm1 4.583 ppm2 4.158 CV 1 ASSI { 1566} (( segid " " and resid 186 and name HA )) (( segid " " and resid 189 and name HB )) 3.800 1.800 1.800 peak 1566 spectrum 1 weight 0.11000E+01 volume 0.77674E-03 ppm1 4.586 ppm2 4.071 CV 1 ASSI { 1567} (( segid " " and resid 186 and name HA )) (( segid " " and resid 190 and name HB )) 2.700 2.700 3.300 peak 1567 spectrum 1 weight 0.11000E+01 volume 0.14804E-02 ppm1 4.583 ppm2 4.262 CV 1 ASSI { 1569} (( segid " " and resid 186 and name HB1 )) (( segid " " and resid 186 and name HB2 )) 2.600 0.800 0.800 peak 1569 spectrum 1 weight 0.11000E+01 volume 0.14308E-02 ppm1 3.149 ppm2 3.378 CV 1 ASSI { 1572} (( segid " " and resid 187 and name HA )) ( segid " " and resid 183 and name HG2%) 4.400 4.400 1.600 peak 1572 spectrum 1 weight 0.11000E+01 volume 0.79300E-03 ppm1 4.257 ppm2 0.907 CV 1 ASSI { 1573} (( segid " " and resid 187 and name HA )) (( segid " " and resid 184 and name HD1 )) 4.400 4.400 1.600 peak 1573 spectrum 1 weight 0.11000E+01 volume 0.84538E-03 ppm1 4.270 ppm2 1.676 CV 1 OR { 1573} (( segid " " and resid 187 and name HA )) (( segid " " and resid 184 and name HD2 )) ASSI { 1574} (( segid " " and resid 187 and name HA )) ( segid " " and resid 187 and name HG2%) 2.800 1.000 1.000 peak 1574 spectrum 1 weight 0.11000E+01 volume 0.46152E-02 ppm1 4.183 ppm2 1.304 CV 1 ASSI { 1582} ( segid " " and resid 187 and name HG2%) ( segid " " and resid 183 and name HG2%) 2.600 0.800 0.800 peak 1582 spectrum 1 weight 0.11000E+01 volume 0.53668E-02 ppm1 1.296 ppm2 0.919 CV 1 ASSI { 1583} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 184 and name HD1 )) 3.000 1.100 1.100 peak 1583 spectrum 1 weight 0.11000E+01 volume 0.28677E-02 ppm1 1.301 ppm2 1.604 CV 1 OR { 1583} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 184 and name HD2 )) ASSI { 1584} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 186 and name HA )) 3.900 1.900 1.900 peak 1584 spectrum 1 weight 0.11000E+01 volume 0.12314E-02 ppm1 1.298 ppm2 4.573 CV 1 ASSI { 1586} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 188 and name HB )) 4.700 2.800 1.300 peak 1586 spectrum 1 weight 0.11000E+01 volume 0.95851E-03 ppm1 1.297 ppm2 2.206 CV 1 ASSI { 1587} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 188 and name HN )) 4.000 2.000 2.000 peak 1587 spectrum 1 weight 0.11000E+01 volume 0.59799E-03 ppm1 1.299 ppm2 7.940 CV 1 ASSI { 1588} ( segid " " and resid 187 and name HG2%) ( segid " " and resid 190 and name HG2%) 3.000 3.000 3.000 peak 1588 spectrum 1 weight 0.11000E+01 volume 0.60396E-02 ppm1 1.298 ppm2 0.986 CV 1 ASSI { 1589} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 191 and name HB )) 2.300 2.300 3.700 peak 1589 spectrum 1 weight 0.11000E+01 volume 0.18847E-01 ppm1 1.298 ppm2 4.294 CV 1 ASSI { 1590} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 193 and name HB2 )) 3.900 3.900 2.100 peak 1590 spectrum 1 weight 0.11000E+01 volume 0.11147E-02 ppm1 1.301 ppm2 1.852 CV 1 ASSI { 1592} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 193 and name HE1 )) 4.300 4.300 1.700 peak 1592 spectrum 1 weight 0.11000E+01 volume 0.11719E-02 ppm1 1.303 ppm2 2.955 CV 1 OR { 1592} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 193 and name HE2 )) ASSI { 1593} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 197 and name HB2 )) 3.500 1.600 1.600 peak 1593 spectrum 1 weight 0.11000E+01 volume 0.11925E-02 ppm1 1.299 ppm2 2.952 CV 1 ASSI { 1595} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 205 and name HB1 )) 4.400 4.400 1.600 peak 1595 spectrum 1 weight 0.11000E+01 volume 0.11224E-02 ppm1 1.298 ppm2 1.998 CV 1 ASSI { 1597} (( segid " " and resid 188 and name HA )) (( segid " " and resid 184 and name HB2 )) 4.900 3.000 1.100 peak 1597 spectrum 1 weight 0.11000E+01 volume 0.97242E-03 ppm1 4.039 ppm2 1.872 CV 1 ASSI { 1598} (( segid " " and resid 188 and name HA )) (( segid " " and resid 184 and name HD1 )) 4.400 2.400 1.600 peak 1598 spectrum 1 weight 0.11000E+01 volume 0.14356E-02 ppm1 4.036 ppm2 1.640 CV 1 OR { 1598} (( segid " " and resid 188 and name HA )) (( segid " " and resid 184 and name HD2 )) ASSI { 1599} (( segid " " and resid 188 and name HA )) ( segid " " and resid 187 and name HG2%) 4.200 2.200 1.800 peak 1599 spectrum 1 weight 0.11000E+01 volume 0.75278E-03 ppm1 4.030 ppm2 1.310 CV 1 ASSI { 1600} (( segid " " and resid 188 and name HA )) (( segid " " and resid 190 and name HA )) 3.700 3.700 2.300 peak 1600 spectrum 1 weight 0.11000E+01 volume 0.20809E-02 ppm1 4.040 ppm2 4.251 CV 1 ASSI { 1601} (( segid " " and resid 188 and name HA )) (( segid " " and resid 191 and name HA )) 3.800 1.800 1.800 peak 1601 spectrum 1 weight 0.11000E+01 volume 0.16559E-02 ppm1 4.040 ppm2 4.348 CV 1 ASSI { 1602} (( segid " " and resid 188 and name HA )) (( segid " " and resid 184 and name HG1 )) 4.900 3.000 1.100 peak 1602 spectrum 1 weight 0.11000E+01 volume 0.97214E-03 ppm1 4.033 ppm2 1.534 CV 1 ASSI { 1603} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HE2 )) 5.000 3.200 1.000 peak 1603 spectrum 1 weight 0.11000E+01 volume 0.79551E-03 ppm1 1.221 ppm2 2.962 CV 1 OR { 1603} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HE1 )) ASSI { 1605} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 183 and name HA )) 4.700 2.800 1.300 peak 1605 spectrum 1 weight 0.11000E+01 volume 0.51413E-03 ppm1 1.215 ppm2 3.619 CV 1 ASSI { 1606} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HB1 )) 3.700 1.700 1.700 peak 1606 spectrum 1 weight 0.11000E+01 volume 0.84535E-03 ppm1 1.220 ppm2 1.944 CV 1 ASSI { 1607} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HD1 )) 3.600 1.600 1.600 peak 1607 spectrum 1 weight 0.11000E+01 volume 0.14555E-02 ppm1 1.218 ppm2 1.598 CV 1 OR { 1607} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HD2 )) ASSI { 1608} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HG1 )) 2.300 0.600 0.600 peak 1608 spectrum 1 weight 0.11000E+01 volume 0.33235E-02 ppm1 1.219 ppm2 1.514 CV 1 ASSI { 1609} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 185 and name HN )) 4.500 2.500 1.500 peak 1609 spectrum 1 weight 0.11000E+01 volume 0.50881E-03 ppm1 1.214 ppm2 8.354 CV 1 ASSI { 1610} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 186 and name HB1 )) 4.600 2.600 1.400 peak 1610 spectrum 1 weight 0.11000E+01 volume 0.73010E-03 ppm1 1.218 ppm2 3.172 CV 1 ASSI { 1611} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 186 and name HB2 )) 4.600 4.600 1.400 peak 1611 spectrum 1 weight 0.11000E+01 volume 0.68265E-03 ppm1 1.217 ppm2 3.401 CV 1 ASSI { 1612} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 187 and name HG2%) 2.000 0.500 0.500 peak 1612 spectrum 1 weight 0.11000E+01 volume 0.14239E-01 ppm1 1.216 ppm2 1.329 CV 1 ASSI { 1613} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 188 and name HA )) 2.500 0.800 0.800 peak 1613 spectrum 1 weight 0.11000E+01 volume 0.69258E-02 ppm1 1.219 ppm2 4.063 CV 1 ASSI { 1614} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 188 and name HG2%) 2.700 0.900 0.900 peak 1614 spectrum 1 weight 0.11000E+01 volume 0.28060E-02 ppm1 1.218 ppm2 0.720 CV 1 ASSI { 1615} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 190 and name HB )) 2.900 2.900 3.100 peak 1615 spectrum 1 weight 0.11000E+01 volume 0.85824E-02 ppm1 1.218 ppm2 4.442 CV 1 ASSI { 1616} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 190 and name HG2%) 3.300 3.300 2.700 peak 1616 spectrum 1 weight 0.11000E+01 volume 0.37874E-02 ppm1 1.218 ppm2 0.968 CV 1 ASSI { 1617} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 197 and name HD% ) 3.800 3.800 2.200 peak 1617 spectrum 1 weight 0.11000E+01 volume 0.22225E-02 ppm1 1.220 ppm2 7.354 CV 1 ASSI { 1619} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 184 and name HD1 )) 3.600 1.600 1.600 peak 1619 spectrum 1 weight 0.11000E+01 volume 0.32015E-02 ppm1 0.750 ppm2 1.588 CV 1 OR { 1619} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 184 and name HD2 )) ASSI { 1620} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 184 and name HG1 )) 2.400 0.700 0.700 peak 1620 spectrum 1 weight 0.11000E+01 volume 0.80536E-02 ppm1 0.750 ppm2 1.478 CV 1 ASSI { 1621} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 185 and name HE22)) 4.200 2.200 1.800 peak 1621 spectrum 1 weight 0.11000E+01 volume 0.10793E-02 ppm1 0.755 ppm2 6.804 CV 1 ASSI { 1622} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 188 and name HA )) 2.900 1.100 1.100 peak 1622 spectrum 1 weight 0.11000E+01 volume 0.56754E-02 ppm1 0.750 ppm2 4.004 CV 1 ASSI { 1625} (( segid " " and resid 190 and name HB )) (( segid " " and resid 189 and name HB )) 2.700 2.700 3.300 peak 1625 spectrum 1 weight 0.11000E+01 volume 0.30065E-02 ppm1 4.444 ppm2 4.063 CV 1 ASSI { 1627} (( segid " " and resid 191 and name HA )) (( segid " " and resid 195 and name HB2 )) 4.300 4.300 1.700 peak 1627 spectrum 1 weight 0.11000E+01 volume 0.97771E-03 ppm1 4.400 ppm2 1.621 CV 1 ASSI { 1630} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 187 and name HA )) 3.500 1.500 1.500 peak 1630 spectrum 1 weight 0.11000E+01 volume 0.29679E-02 ppm1 1.333 ppm2 4.212 CV 1 ASSI { 1631} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 191 and name HA )) 2.200 0.600 0.600 peak 1631 spectrum 1 weight 0.11000E+01 volume 0.17616E-01 ppm1 1.333 ppm2 4.377 CV 1 ASSI { 1632} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 195 and name HB2 )) 3.900 1.900 1.900 peak 1632 spectrum 1 weight 0.11000E+01 volume 0.18283E-02 ppm1 1.332 ppm2 1.623 CV 1 ASSI { 1633} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 196 and name HA )) 3.100 1.200 1.200 peak 1633 spectrum 1 weight 0.11000E+01 volume 0.19503E-02 ppm1 1.333 ppm2 4.693 CV 1 ASSI { 1634} ( segid " " and resid 191 and name HG2%) ( segid " " and resid 197 and name HD% ) 3.900 3.900 2.100 peak 1634 spectrum 1 weight 0.11000E+01 volume 0.89443E-03 ppm1 1.333 ppm2 7.355 CV 1 ASSI { 1636} (( segid " " and resid 193 and name HA )) ( segid " " and resid 191 and name HG2%) 4.600 4.600 1.400 peak 1636 spectrum 1 weight 0.11000E+01 volume 0.50198E-03 ppm1 4.388 ppm2 1.307 CV 1 ASSI { 1637} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HB1 )) 2.900 1.000 1.000 peak 1637 spectrum 1 weight 0.11000E+01 volume 0.40401E-02 ppm1 4.391 ppm2 2.004 CV 1 ASSI { 1638} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HB2 )) 2.600 0.800 0.800 peak 1638 spectrum 1 weight 0.11000E+01 volume 0.31884E-02 ppm1 4.390 ppm2 1.869 CV 1 ASSI { 1639} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HG1 )) 3.300 1.400 1.400 peak 1639 spectrum 1 weight 0.11000E+01 volume 0.36894E-02 ppm1 4.390 ppm2 1.507 CV 1 ASSI { 1640} (( segid " " and resid 193 and name HA )) (( segid " " and resid 195 and name HB2 )) 4.200 2.200 1.800 peak 1640 spectrum 1 weight 0.11000E+01 volume 0.14972E-02 ppm1 4.390 ppm2 1.651 CV 1 ASSI { 1643} (( segid " " and resid 193 and name HB1 )) (( segid " " and resid 194 and name HA1 )) 3.100 3.100 2.900 peak 1643 spectrum 1 weight 0.11000E+01 volume 0.45079E-02 ppm1 2.016 ppm2 4.098 CV 1 ASSI { 1645} (( segid " " and resid 193 and name HD2 )) ( segid " " and resid 192 and name HG2%) 3.900 1.900 1.900 peak 1645 spectrum 1 weight 0.11000E+01 volume 0.15673E-02 ppm1 1.670 ppm2 1.241 CV 1 OR { 1645} (( segid " " and resid 193 and name HD1 )) ( segid " " and resid 192 and name HG2%) ASSI { 1646} (( segid " " and resid 193 and name HD2 )) (( segid " " and resid 193 and name HA )) 3.600 1.600 1.600 peak 1646 spectrum 1 weight 0.11000E+01 volume 0.18548E-02 ppm1 1.670 ppm2 4.385 CV 1 OR { 1646} (( segid " " and resid 193 and name HD1 )) (( segid " " and resid 193 and name HA )) ASSI { 1647} (( segid " " and resid 193 and name HD2 )) (( segid " " and resid 193 and name HB1 )) 2.500 0.800 0.800 peak 1647 spectrum 1 weight 0.11000E+01 volume 0.45237E-02 ppm1 1.670 ppm2 2.023 CV 1 OR { 1647} (( segid " " and resid 193 and name HD1 )) (( segid " " and resid 193 and name HB1 )) ASSI { 1648} (( segid " " and resid 193 and name HD1 )) (( segid " " and resid 193 and name HE2 )) 2.300 0.600 0.600 peak 1648 spectrum 1 weight 0.11000E+01 volume 0.73869E-02 ppm1 1.674 ppm2 2.951 CV 1 OR { 1648} (( segid " " and resid 193 and name HD2 )) (( segid " " and resid 193 and name HE1 )) OR { 1648} (( segid " " and resid 193 and name HD2 )) (( segid " " and resid 193 and name HE2 )) OR { 1648} (( segid " " and resid 193 and name HD1 )) (( segid " " and resid 193 and name HE1 )) ASSI { 1651} (( segid " " and resid 193 and name HE2 )) ( segid " " and resid 191 and name HG2%) 3.600 3.600 2.400 peak 1651 spectrum 1 weight 0.11000E+01 volume 0.22985E-02 ppm1 2.952 ppm2 1.358 CV 1 OR { 1651} (( segid " " and resid 193 and name HE1 )) ( segid " " and resid 191 and name HG2%) ASSI { 1652} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 193 and name HA )) 4.400 2.400 1.600 peak 1652 spectrum 1 weight 0.11000E+01 volume 0.81185E-03 ppm1 2.952 ppm2 4.377 CV 1 OR { 1652} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 193 and name HA )) ASSI { 1653} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 193 and name HB1 )) 4.000 2.000 2.000 peak 1653 spectrum 1 weight 0.11000E+01 volume 0.14977E-02 ppm1 2.950 ppm2 1.974 CV 1 OR { 1653} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 193 and name HB1 )) ASSI { 1654} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 193 and name HB2 )) 4.200 2.200 1.800 peak 1654 spectrum 1 weight 0.11000E+01 volume 0.15156E-02 ppm1 2.950 ppm2 1.857 CV 1 OR { 1654} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 193 and name HB2 )) ASSI { 1655} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 193 and name HG1 )) 3.100 1.200 1.200 peak 1655 spectrum 1 weight 0.11000E+01 volume 0.43039E-02 ppm1 2.952 ppm2 1.505 CV 1 OR { 1655} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 193 and name HG1 )) ASSI { 1656} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 194 and name HA1 )) 3.000 1.100 1.100 peak 1656 spectrum 1 weight 0.11000E+01 volume 0.15750E-02 ppm1 2.944 ppm2 4.057 CV 1 OR { 1656} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 194 and name HA1 )) ASSI { 1657} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 194 and name HA2 )) 4.600 2.700 1.400 peak 1657 spectrum 1 weight 0.11000E+01 volume 0.54681E-03 ppm1 2.950 ppm2 3.801 CV 1 OR { 1657} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 194 and name HA2 )) ASSI { 1658} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 195 and name HB2 )) 2.000 0.500 0.500 peak 1658 spectrum 1 weight 0.11000E+01 volume 0.12242E-01 ppm1 2.950 ppm2 1.658 CV 1 OR { 1658} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 195 and name HB2 )) ASSI { 1659} (( segid " " and resid 184 and name HG1 )) ( segid " " and resid 183 and name HG1%) 4.800 2.900 1.200 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.98275E-03 ppm1 1.493 ppm2 1.050 CV 1 ASSI { 1662} (( segid " " and resid 193 and name HG1 )) (( segid " " and resid 194 and name HA1 )) 3.600 1.600 1.600 peak 1662 spectrum 1 weight 0.11000E+01 volume 0.18399E-02 ppm1 1.512 ppm2 4.058 CV 1 ASSI { 1663} (( segid " " and resid 195 and name HA )) (( segid " " and resid 197 and name HN )) 5.100 5.100 0.900 peak 1663 spectrum 1 weight 0.11000E+01 volume 0.49964E-03 ppm1 4.280 ppm2 8.521 CV 1 ASSI { 1664} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HB2 )) 2.300 0.700 0.700 peak 1664 spectrum 1 weight 0.11000E+01 volume 0.51949E-02 ppm1 4.285 ppm2 1.623 CV 1 ASSI { 1665} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HG1 )) 3.100 1.200 1.200 peak 1665 spectrum 1 weight 0.11000E+01 volume 0.20449E-02 ppm1 4.285 ppm2 2.063 CV 1 ASSI { 1666} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HG2 )) 3.500 1.600 1.600 peak 1666 spectrum 1 weight 0.11000E+01 volume 0.18291E-02 ppm1 4.281 ppm2 1.964 CV 1 ASSI { 1667} (( segid " " and resid 195 and name HA )) (( segid " " and resid 196 and name HB1 )) 5.900 4.400 0.100 peak 1667 spectrum 1 weight 0.11000E+01 volume 0.20934E-03 ppm1 4.294 ppm2 2.614 CV 1 ASSI { 1670} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 155 and name HA )) 4.100 4.100 1.900 peak 1670 spectrum 1 weight 0.11000E+01 volume 0.72639E-03 ppm1 1.622 ppm2 4.002 CV 1 ASSI { 1671} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 193 and name HB1 )) 3.200 3.200 2.800 peak 1671 spectrum 1 weight 0.11000E+01 volume 0.37286E-02 ppm1 1.619 ppm2 2.013 CV 1 ASSI { 1672} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 194 and name HA1 )) 3.600 1.700 1.700 peak 1672 spectrum 1 weight 0.11000E+01 volume 0.16822E-02 ppm1 1.622 ppm2 4.061 CV 1 ASSI { 1676} (( segid " " and resid 195 and name HG1 )) (( segid " " and resid 195 and name HB2 )) 2.800 1.000 1.000 peak 1676 spectrum 1 weight 0.11000E+01 volume 0.36420E-02 ppm1 2.077 ppm2 1.621 CV 1 ASSI { 1678} (( segid " " and resid 195 and name HG2 )) (( segid " " and resid 195 and name HB2 )) 2.600 0.900 0.900 peak 1678 spectrum 1 weight 0.11000E+01 volume 0.34208E-02 ppm1 1.954 ppm2 1.626 CV 1 ASSI { 1681} (( segid " " and resid 196 and name HA )) (( segid " " and resid 191 and name HA )) 3.600 1.600 1.600 peak 1681 spectrum 1 weight 0.11000E+01 volume 0.73862E-03 ppm1 4.733 ppm2 4.378 CV 1 ASSI { 1683} (( segid " " and resid 196 and name HA )) (( segid " " and resid 195 and name HB2 )) 4.400 4.400 1.600 peak 1683 spectrum 1 weight 0.11000E+01 volume 0.55330E-03 ppm1 4.710 ppm2 1.629 CV 1 ASSI { 1684} (( segid " " and resid 196 and name HA )) (( segid " " and resid 195 and name HG1 )) 2.700 0.900 0.900 peak 1684 spectrum 1 weight 0.11000E+01 volume 0.31930E-02 ppm1 4.738 ppm2 2.052 CV 1 ASSI { 1685} (( segid " " and resid 196 and name HA )) (( segid " " and resid 195 and name HG2 )) 3.300 3.300 2.700 peak 1685 spectrum 1 weight 0.11000E+01 volume 0.26526E-02 ppm1 4.734 ppm2 1.954 CV 1 ASSI { 1687} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HB2 )) 3.400 3.400 2.600 peak 1687 spectrum 1 weight 0.11000E+01 volume 0.14261E-02 ppm1 4.734 ppm2 2.486 CV 1 ASSI { 1688} (( segid " " and resid 196 and name HA )) ( segid " " and resid 197 and name HD% ) 4.500 4.500 1.500 peak 1688 spectrum 1 weight 0.11000E+01 volume 0.39115E-03 ppm1 4.717 ppm2 7.362 CV 1 ASSI { 1689} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 196 and name HA )) 2.600 0.800 0.800 peak 1689 spectrum 1 weight 0.11000E+01 volume 0.38651E-02 ppm1 2.605 ppm2 4.714 CV 1 ASSI { 1691} (( segid " " and resid 197 and name HA )) (( segid " " and resid 196 and name HB1 )) 3.900 1.900 1.900 peak 1691 spectrum 1 weight 0.11000E+01 volume 0.54964E-03 ppm1 5.282 ppm2 2.598 CV 1 ASSI { 1692} (( segid " " and resid 197 and name HA )) (( segid " " and resid 197 and name HB1 )) 3.100 1.200 1.200 peak 1692 spectrum 1 weight 0.11000E+01 volume 0.11564E-02 ppm1 5.280 ppm2 3.198 CV 1 ASSI { 1693} (( segid " " and resid 197 and name HA )) (( segid " " and resid 197 and name HB2 )) 3.200 1.200 1.200 peak 1693 spectrum 1 weight 0.11000E+01 volume 0.11096E-02 ppm1 5.280 ppm2 2.953 CV 1 ASSI { 1694} (( segid " " and resid 197 and name HA )) ( segid " " and resid 197 and name HD% ) 3.200 1.300 1.300 peak 1694 spectrum 1 weight 0.11000E+01 volume 0.20290E-02 ppm1 5.282 ppm2 7.352 CV 1 ASSI { 1695} (( segid " " and resid 197 and name HA )) (( segid " " and resid 198 and name HA )) 4.600 2.700 1.400 peak 1695 spectrum 1 weight 0.11000E+01 volume 0.34541E-03 ppm1 5.275 ppm2 4.636 CV 1 ASSI { 1697} (( segid " " and resid 197 and name HA )) (( segid " " and resid 201 and name HB1 )) 3.600 1.600 1.600 peak 1697 spectrum 1 weight 0.11000E+01 volume 0.73563E-03 ppm1 5.283 ppm2 3.395 CV 1 ASSI { 1699} (( segid " " and resid 197 and name HA )) (( segid " " and resid 202 and name HG12)) 5.100 3.200 0.900 peak 1699 spectrum 1 weight 0.11000E+01 volume 0.29839E-03 ppm1 5.290 ppm2 1.261 CV 1 ASSI { 1700} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 196 and name HA )) 6.000 4.900 0.000 peak 1700 spectrum 1 weight 0.11000E+01 volume 0.86543E-04 ppm1 3.183 ppm2 4.705 CV 1 ASSI { 1701} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 196 and name HB1 )) 4.700 4.700 1.300 peak 1701 spectrum 1 weight 0.11000E+01 volume 0.33380E-03 ppm1 3.186 ppm2 2.614 CV 1 ASSI { 1703} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 197 and name HB2 )) 2.400 0.700 0.700 peak 1703 spectrum 1 weight 0.11000E+01 volume 0.20023E-02 ppm1 3.184 ppm2 2.966 CV 1 ASSI { 1704} (( segid " " and resid 197 and name HB1 )) ( segid " " and resid 197 and name HD% ) 3.500 1.600 1.600 peak 1704 spectrum 1 weight 0.11000E+01 volume 0.57438E-03 ppm1 3.195 ppm2 7.347 CV 1 ASSI { 1705} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 201 and name HB1 )) 3.800 1.800 1.800 peak 1705 spectrum 1 weight 0.11000E+01 volume 0.63390E-03 ppm1 3.196 ppm2 3.357 CV 1 ASSI { 1706} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 202 and name HA )) 4.700 2.800 1.300 peak 1706 spectrum 1 weight 0.11000E+01 volume 0.44361E-03 ppm1 3.197 ppm2 3.445 CV 1 ASSI { 1709} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 202 and name HG12)) 4.500 2.500 1.500 peak 1709 spectrum 1 weight 0.11000E+01 volume 0.27398E-03 ppm1 3.175 ppm2 1.276 CV 1 ASSI { 1710} (( segid " " and resid 197 and name HB1 )) ( segid " " and resid 205 and name HE% ) 4.100 2.100 1.900 peak 1710 spectrum 1 weight 0.11000E+01 volume 0.28338E-03 ppm1 3.186 ppm2 1.517 CV 1 ASSI { 1711} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 196 and name HA )) 5.300 3.600 0.700 peak 1711 spectrum 1 weight 0.11000E+01 volume 0.31837E-03 ppm1 2.968 ppm2 4.715 CV 1 ASSI { 1712} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 196 and name HB1 )) 4.500 2.600 1.500 peak 1712 spectrum 1 weight 0.11000E+01 volume 0.46523E-03 ppm1 2.970 ppm2 2.624 CV 1 ASSI { 1715} (( segid " " and resid 197 and name HB2 )) ( segid " " and resid 197 and name HD% ) 3.400 1.500 1.500 peak 1715 spectrum 1 weight 0.11000E+01 volume 0.69653E-03 ppm1 2.978 ppm2 7.337 CV 1 ASSI { 1716} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 201 and name HB1 )) 3.800 1.800 1.800 peak 1716 spectrum 1 weight 0.11000E+01 volume 0.58877E-03 ppm1 2.970 ppm2 3.357 CV 1 ASSI { 1717} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 202 and name HA )) 4.700 2.800 1.300 peak 1717 spectrum 1 weight 0.11000E+01 volume 0.37912E-03 ppm1 2.968 ppm2 3.445 CV 1 ASSI { 1720} (( segid " " and resid 198 and name HA )) (( segid " " and resid 198 and name HB )) 2.500 0.800 0.800 peak 1720 spectrum 1 weight 0.11000E+01 volume 0.50014E-02 ppm1 4.637 ppm2 4.827 CV 1 ASSI { 1727} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 196 and name HB1 )) 2.400 2.400 3.600 peak 1727 spectrum 1 weight 0.11000E+01 volume 0.73358E-03 ppm1 1.422 ppm2 2.616 CV 1 ASSI { 1728} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 197 and name HA )) 4.300 2.300 1.700 peak 1728 spectrum 1 weight 0.11000E+01 volume 0.10513E-02 ppm1 1.421 ppm2 5.278 CV 1 ASSI { 1729} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 198 and name HA )) 2.700 0.900 0.900 peak 1729 spectrum 1 weight 0.11000E+01 volume 0.77050E-02 ppm1 1.424 ppm2 4.641 CV 1 ASSI { 1730} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 198 and name HB )) 2.100 0.500 0.500 peak 1730 spectrum 1 weight 0.11000E+01 volume 0.97477E-02 ppm1 1.423 ppm2 4.829 CV 1 ASSI { 1731} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 199 and name HB1 )) 4.700 2.800 1.300 peak 1731 spectrum 1 weight 0.11000E+01 volume 0.64315E-03 ppm1 1.415 ppm2 2.079 CV 1 ASSI { 1732} ( segid " " and resid 198 and name HG2%) ( segid " " and resid 204 and name HG2%) 5.200 3.300 0.800 peak 1732 spectrum 1 weight 0.11000E+01 volume 0.72639E-03 ppm1 1.423 ppm2 0.770 CV 1 ASSI { 1734} (( segid " " and resid 199 and name HA )) ( segid " " and resid 198 and name HG2%) 4.200 2.300 1.800 peak 1734 spectrum 1 weight 0.11000E+01 volume 0.10299E-02 ppm1 4.053 ppm2 1.437 CV 1 ASSI { 1735} (( segid " " and resid 199 and name HA )) (( segid " " and resid 199 and name HB1 )) 2.700 0.900 0.900 peak 1735 spectrum 1 weight 0.11000E+01 volume 0.49952E-02 ppm1 4.044 ppm2 2.075 CV 1 ASSI { 1737} (( segid " " and resid 199 and name HA )) (( segid " " and resid 200 and name HB )) 5.100 3.300 0.900 peak 1737 spectrum 1 weight 0.11000E+01 volume 0.31193E-03 ppm1 4.046 ppm2 3.708 CV 1 ASSI { 1738} (( segid " " and resid 199 and name HA )) (( segid " " and resid 202 and name HB )) 2.400 0.700 0.700 peak 1738 spectrum 1 weight 0.11000E+01 volume 0.39122E-02 ppm1 4.045 ppm2 1.930 CV 1 ASSI { 1739} (( segid " " and resid 199 and name HA )) (( segid " " and resid 202 and name HG12)) 4.000 2.000 2.000 peak 1739 spectrum 1 weight 0.11000E+01 volume 0.86839E-03 ppm1 4.052 ppm2 1.271 CV 1 ASSI { 1740} (( segid " " and resid 199 and name HA )) (( segid " " and resid 203 and name HG1 )) 4.300 2.300 1.700 peak 1740 spectrum 1 weight 0.11000E+01 volume 0.15907E-02 ppm1 4.057 ppm2 1.540 CV 1 ASSI { 1743} (( segid " " and resid 199 and name HB1 )) (( segid " " and resid 199 and name HG2 )) 2.400 0.700 0.700 peak 1743 spectrum 1 weight 0.11000E+01 volume 0.59747E-02 ppm1 2.078 ppm2 2.332 CV 1 ASSI { 1744} (( segid " " and resid 199 and name HB2 )) (( segid " " and resid 199 and name HA )) 2.700 0.900 0.900 peak 1744 spectrum 1 weight 0.11000E+01 volume 0.28078E-02 ppm1 2.114 ppm2 4.016 CV 1 ASSI { 1746} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 199 and name HA )) 2.800 1.000 1.000 peak 1746 spectrum 1 weight 0.11000E+01 volume 0.19093E-02 ppm1 2.322 ppm2 4.055 CV 1 ASSI { 1747} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 199 and name HB1 )) 2.700 0.900 0.900 peak 1747 spectrum 1 weight 0.11000E+01 volume 0.81238E-02 ppm1 2.322 ppm2 2.091 CV 1 ASSI { 1748} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 202 and name HB )) 3.800 1.800 1.800 peak 1748 spectrum 1 weight 0.11000E+01 volume 0.18870E-02 ppm1 2.319 ppm2 1.920 CV 1 ASSI { 1749} (( segid " " and resid 199 and name HG1 )) ( segid " " and resid 202 and name HD1%) 5.300 3.500 0.700 peak 1749 spectrum 1 weight 0.11000E+01 volume 0.39398E-03 ppm1 2.315 ppm2 0.753 CV 1 ASSI { 1750} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 202 and name HG11)) 5.000 3.100 1.000 peak 1750 spectrum 1 weight 0.11000E+01 volume 0.43345E-03 ppm1 2.317 ppm2 1.510 CV 1 ASSI { 1751} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 203 and name HD2 )) 4.600 4.600 1.400 peak 1751 spectrum 1 weight 0.11000E+01 volume 0.77250E-03 ppm1 2.319 ppm2 1.632 CV 1 OR { 1751} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 203 and name HD1 )) ASSI { 1752} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 199 and name HA )) 3.000 1.100 1.100 peak 1752 spectrum 1 weight 0.11000E+01 volume 0.21035E-02 ppm1 2.392 ppm2 4.046 CV 1 ASSI { 1753} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 199 and name HB2 )) 2.600 0.800 0.800 peak 1753 spectrum 1 weight 0.11000E+01 volume 0.11363E-01 ppm1 2.393 ppm2 2.112 CV 1 ASSI { 1754} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 202 and name HB )) 3.700 1.700 1.700 peak 1754 spectrum 1 weight 0.11000E+01 volume 0.22594E-02 ppm1 2.392 ppm2 1.920 CV 1 ASSI { 1755} (( segid " " and resid 199 and name HG2 )) ( segid " " and resid 202 and name HD1%) 5.100 5.100 0.900 peak 1755 spectrum 1 weight 0.11000E+01 volume 0.54312E-03 ppm1 2.381 ppm2 0.759 CV 1 ASSI { 1756} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 202 and name HG11)) 4.900 3.000 1.100 peak 1756 spectrum 1 weight 0.11000E+01 volume 0.67951E-03 ppm1 2.393 ppm2 1.515 CV 1 ASSI { 1757} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 203 and name HB1 )) 2.600 2.600 3.400 peak 1757 spectrum 1 weight 0.11000E+01 volume 0.22553E-02 ppm1 2.393 ppm2 1.896 CV 1 ASSI { 1758} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 203 and name HD2 )) 3.700 1.700 1.700 peak 1758 spectrum 1 weight 0.11000E+01 volume 0.89264E-03 ppm1 2.393 ppm2 1.612 CV 1 OR { 1758} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 203 and name HD1 )) ASSI { 1760} (( segid " " and resid 200 and name HA )) (( segid " " and resid 202 and name HB )) 3.800 1.800 1.800 peak 1760 spectrum 1 weight 0.11000E+01 volume 0.16050E-02 ppm1 3.796 ppm2 1.912 CV 1 ASSI { 1761} (( segid " " and resid 200 and name HA )) (( segid " " and resid 203 and name HB1 )) 2.700 0.900 0.900 peak 1761 spectrum 1 weight 0.11000E+01 volume 0.16050E-02 ppm1 3.797 ppm2 1.904 CV 1 ASSI { 1762} (( segid " " and resid 200 and name HA )) (( segid " " and resid 203 and name HB2 )) 4.500 2.500 1.500 peak 1762 spectrum 1 weight 0.11000E+01 volume 0.78588E-03 ppm1 3.794 ppm2 2.021 CV 1 ASSI { 1763} (( segid " " and resid 200 and name HA )) (( segid " " and resid 203 and name HD1 )) 3.200 1.300 1.300 peak 1763 spectrum 1 weight 0.11000E+01 volume 0.82267E-03 ppm1 3.796 ppm2 1.625 CV 1 OR { 1763} (( segid " " and resid 200 and name HA )) (( segid " " and resid 203 and name HD2 )) ASSI { 1765} (( segid " " and resid 200 and name HB )) (( segid " " and resid 198 and name HB )) 5.700 4.100 0.300 peak 1765 spectrum 1 weight 0.11000E+01 volume 0.31801E-03 ppm1 3.695 ppm2 4.797 CV 1 ASSI { 1768} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 145 and name HG1 )) 3.700 1.700 1.700 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.64621E-03 ppm1 0.632 ppm2 2.500 CV 1 ASSI { 1769} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 145 and name HG2 )) 3.100 1.200 1.200 peak 1769 spectrum 1 weight 0.11000E+01 volume 0.17905E-02 ppm1 0.630 ppm2 1.842 CV 1 ASSI { 1770} ( segid " " and resid 200 and name HG2%) ( segid " " and resid 148 and name HE% ) 3.100 1.200 1.200 peak 1770 spectrum 1 weight 0.11000E+01 volume 0.21175E-02 ppm1 0.632 ppm2 6.876 CV 1 ASSI { 1771} ( segid " " and resid 200 and name HG2%) ( segid " " and resid 149 and name HD% ) 3.700 3.700 2.300 peak 1771 spectrum 1 weight 0.11000E+01 volume 0.19852E-02 ppm1 0.627 ppm2 6.824 CV 1 ASSI { 1772} ( segid " " and resid 200 and name HG2%) ( segid " " and resid 156 and name HD% ) 4.500 4.500 1.500 peak 1772 spectrum 1 weight 0.11000E+01 volume 0.70297E-03 ppm1 0.635 ppm2 7.034 CV 1 ASSI { 1774} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 198 and name HB )) 6.000 4.400 0.000 peak 1774 spectrum 1 weight 0.11000E+01 volume 0.31574E-03 ppm1 0.629 ppm2 4.752 CV 1 ASSI { 1775} ( segid " " and resid 200 and name HG2%) ( segid " " and resid 198 and name HG2%) 4.300 2.300 1.700 peak 1775 spectrum 1 weight 0.11000E+01 volume 0.11019E-02 ppm1 0.633 ppm2 1.452 CV 1 ASSI { 1776} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 200 and name HA )) 2.200 0.600 0.600 peak 1776 spectrum 1 weight 0.11000E+01 volume 0.96548E-02 ppm1 0.632 ppm2 3.732 CV 1 ASSI { 1777} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 200 and name HB )) 2.100 0.600 0.600 peak 1777 spectrum 1 weight 0.11000E+01 volume 0.96548E-02 ppm1 0.632 ppm2 3.732 CV 1 ASSI { 1779} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 202 and name HB )) 4.000 4.000 2.000 peak 1779 spectrum 1 weight 0.11000E+01 volume 0.20779E-02 ppm1 0.630 ppm2 1.903 CV 1 ASSI { 1780} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 203 and name HB1 )) 4.000 2.000 2.000 peak 1780 spectrum 1 weight 0.11000E+01 volume 0.20779E-02 ppm1 0.630 ppm2 1.903 CV 1 ASSI { 1781} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 203 and name HE1 )) 4.600 2.600 1.400 peak 1781 spectrum 1 weight 0.11000E+01 volume 0.48087E-03 ppm1 0.628 ppm2 2.901 CV 1 OR { 1781} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 203 and name HE2 )) ASSI { 1782} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 203 and name HG1 )) 3.800 1.800 1.800 peak 1782 spectrum 1 weight 0.11000E+01 volume 0.16537E-02 ppm1 0.632 ppm2 1.574 CV 1 ASSI { 1783} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 203 and name HG2 )) 3.300 1.400 1.400 peak 1783 spectrum 1 weight 0.11000E+01 volume 0.89776E-03 ppm1 0.631 ppm2 1.397 CV 1 ASSI { 1784} ( segid " " and resid 200 and name HG2%) ( segid " " and resid 204 and name HG2%) 3.400 3.400 2.600 peak 1784 spectrum 1 weight 0.11000E+01 volume 0.43679E-02 ppm1 0.631 ppm2 0.801 CV 1 ASSI { 1785} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 204 and name HN )) 4.500 2.600 1.500 peak 1785 spectrum 1 weight 0.11000E+01 volume 0.42623E-03 ppm1 0.630 ppm2 7.981 CV 1 ASSI { 1788} (( segid " " and resid 201 and name HA )) ( segid " " and resid 148 and name HE% ) 3.300 1.400 1.400 peak 1788 spectrum 1 weight 0.11000E+01 volume 0.96804E-03 ppm1 4.534 ppm2 6.902 CV 1 ASSI { 1789} (( segid " " and resid 201 and name HA )) (( segid " " and resid 197 and name HB1 )) 4.700 2.800 1.300 peak 1789 spectrum 1 weight 0.11000E+01 volume 0.39273E-03 ppm1 4.534 ppm2 3.220 CV 1 ASSI { 1790} (( segid " " and resid 201 and name HA )) ( segid " " and resid 197 and name HD% ) 4.200 2.200 1.800 peak 1790 spectrum 1 weight 0.11000E+01 volume 0.48781E-03 ppm1 4.536 ppm2 7.337 CV 1 ASSI { 1791} (( segid " " and resid 201 and name HA )) (( segid " " and resid 198 and name HA )) 4.100 4.100 1.900 peak 1791 spectrum 1 weight 0.11000E+01 volume 0.15188E-02 ppm1 4.536 ppm2 4.656 CV 1 ASSI { 1793} (( segid " " and resid 201 and name HA )) ( segid " " and resid 200 and name HG2%) 3.400 1.400 1.400 peak 1793 spectrum 1 weight 0.11000E+01 volume 0.10081E-02 ppm1 4.528 ppm2 0.630 CV 1 ASSI { 1794} (( segid " " and resid 201 and name HA )) (( segid " " and resid 201 and name HB2 )) 2.800 1.000 1.000 peak 1794 spectrum 1 weight 0.11000E+01 volume 0.15042E-02 ppm1 4.528 ppm2 2.588 CV 1 ASSI { 1795} (( segid " " and resid 201 and name HA )) (( segid " " and resid 202 and name HB )) 3.700 1.700 1.700 peak 1795 spectrum 1 weight 0.11000E+01 volume 0.14276E-02 ppm1 4.532 ppm2 1.929 CV 1 ASSI { 1796} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HA )) 5.400 3.700 0.600 peak 1796 spectrum 1 weight 0.11000E+01 volume 0.33092E-03 ppm1 4.534 ppm2 3.630 CV 1 ASSI { 1797} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HB )) 3.000 1.100 1.100 peak 1797 spectrum 1 weight 0.11000E+01 volume 0.14283E-02 ppm1 4.535 ppm2 1.936 CV 1 ASSI { 1798} (( segid " " and resid 201 and name HA )) ( segid " " and resid 204 and name HD1%) 2.700 0.900 0.900 peak 1798 spectrum 1 weight 0.11000E+01 volume 0.98611E-03 ppm1 4.536 ppm2 0.655 CV 1 ASSI { 1799} (( segid " " and resid 201 and name HA )) ( segid " " and resid 204 and name HG2%) 4.700 2.800 1.300 peak 1799 spectrum 1 weight 0.11000E+01 volume 0.89199E-03 ppm1 4.530 ppm2 0.770 CV 1 ASSI { 1800} (( segid " " and resid 201 and name HA )) (( segid " " and resid 201 and name HB1 )) 2.800 1.000 1.000 peak 1800 spectrum 1 weight 0.11000E+01 volume 0.11639E-02 ppm1 4.534 ppm2 3.388 CV 1 ASSI { 1803} (( segid " " and resid 201 and name HB1 )) ( segid " " and resid 197 and name HD% ) 4.000 2.000 2.000 peak 1803 spectrum 1 weight 0.11000E+01 volume 0.55940E-03 ppm1 3.369 ppm2 7.341 CV 1 ASSI { 1806} (( segid " " and resid 201 and name HB1 )) (( segid " " and resid 201 and name HB2 )) 2.300 0.700 0.700 peak 1806 spectrum 1 weight 0.11000E+01 volume 0.14652E-02 ppm1 3.382 ppm2 2.596 CV 1 ASSI { 1807} (( segid " " and resid 201 and name HB1 )) ( segid " " and resid 202 and name HD1%) 4.300 2.300 1.700 peak 1807 spectrum 1 weight 0.11000E+01 volume 0.26940E-03 ppm1 3.382 ppm2 0.738 CV 1 ASSI { 1808} (( segid " " and resid 201 and name HB2 )) (( segid " " and resid 197 and name HA )) 3.900 1.900 1.900 peak 1808 spectrum 1 weight 0.11000E+01 volume 0.30072E-03 ppm1 2.583 ppm2 5.296 CV 1 ASSI { 1810} (( segid " " and resid 201 and name HB2 )) ( segid " " and resid 197 and name HD% ) 4.000 2.000 2.000 peak 1810 spectrum 1 weight 0.11000E+01 volume 0.46691E-03 ppm1 2.580 ppm2 7.330 CV 1 ASSI { 1812} (( segid " " and resid 201 and name HB2 )) (( segid " " and resid 197 and name HN )) 4.800 4.800 1.200 peak 1812 spectrum 1 weight 0.11000E+01 volume 0.51328E-03 ppm1 2.603 ppm2 8.586 CV 1 ASSI { 1815} (( segid " " and resid 201 and name HB2 )) ( segid " " and resid 202 and name HD1%) 4.300 2.300 1.700 peak 1815 spectrum 1 weight 0.11000E+01 volume 0.30641E-03 ppm1 2.601 ppm2 0.706 CV 1 ASSI { 1816} (( segid " " and resid 201 and name HB2 )) ( segid " " and resid 205 and name HE% ) 4.000 2.000 2.000 peak 1816 spectrum 1 weight 0.11000E+01 volume 0.52426E-03 ppm1 2.597 ppm2 1.495 CV 1 ASSI { 1817} (( segid " " and resid 202 and name HA )) ( segid " " and resid 183 and name HG1%) 4.500 2.500 1.500 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.11652E-02 ppm1 3.424 ppm2 0.997 CV 1 ASSI { 1818} (( segid " " and resid 202 and name HA )) (( segid " " and resid 199 and name HA )) 5.000 3.100 1.000 peak 1818 spectrum 1 weight 0.11000E+01 volume 0.34281E-03 ppm1 3.433 ppm2 4.067 CV 1 ASSI { 1819} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HB )) 2.600 0.800 0.800 peak 1819 spectrum 1 weight 0.11000E+01 volume 0.23569E-02 ppm1 3.427 ppm2 1.950 CV 1 ASSI { 1820} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HG12)) 3.800 1.800 1.800 peak 1820 spectrum 1 weight 0.11000E+01 volume 0.10389E-02 ppm1 3.436 ppm2 1.310 CV 1 ASSI { 1821} (( segid " " and resid 202 and name HA )) (( segid " " and resid 204 and name HB )) 2.800 1.000 1.000 peak 1821 spectrum 1 weight 0.11000E+01 volume 0.23569E-02 ppm1 3.427 ppm2 1.950 CV 1 ASSI { 1823} (( segid " " and resid 202 and name HA )) ( segid " " and resid 204 and name HG2%) 3.800 1.800 1.800 peak 1823 spectrum 1 weight 0.11000E+01 volume 0.16835E-02 ppm1 3.428 ppm2 0.753 CV 1 ASSI { 1825} (( segid " " and resid 202 and name HB )) (( segid " " and resid 199 and name HB2 )) 5.100 3.300 0.900 peak 1825 spectrum 1 weight 0.11000E+01 volume 0.37027E-03 ppm1 1.917 ppm2 2.106 CV 1 ASSI { 1828} (( segid " " and resid 202 and name HB )) ( segid " " and resid 202 and name HD1%) 3.200 1.300 1.300 peak 1828 spectrum 1 weight 0.11000E+01 volume 0.14013E-02 ppm1 1.928 ppm2 0.738 CV 1 ASSI { 1831} (( segid " " and resid 202 and name HB )) (( segid " " and resid 203 and name HA )) 5.000 3.100 1.000 peak 1831 spectrum 1 weight 0.11000E+01 volume 0.33689E-03 ppm1 1.922 ppm2 4.021 CV 1 ASSI { 1832} (( segid " " and resid 202 and name HB )) (( segid " " and resid 203 and name HG1 )) 4.900 3.000 1.100 peak 1832 spectrum 1 weight 0.11000E+01 volume 0.87606E-03 ppm1 1.918 ppm2 1.559 CV 1 ASSI { 1833} (( segid " " and resid 202 and name HB )) ( segid " " and resid 204 and name HD1%) 4.200 4.200 1.800 peak 1833 spectrum 1 weight 0.11000E+01 volume 0.12894E-02 ppm1 1.927 ppm2 0.643 CV 1 ASSI { 1834} (( segid " " and resid 202 and name HB )) (( segid " " and resid 204 and name HG12)) 4.400 2.400 1.600 peak 1834 spectrum 1 weight 0.11000E+01 volume 0.16356E-02 ppm1 1.921 ppm2 0.826 CV 1 ASSI { 1837} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 197 and name HA )) 4.500 2.600 1.500 peak 1837 spectrum 1 weight 0.11000E+01 volume 0.47466E-03 ppm1 0.721 ppm2 5.286 CV 1 ASSI { 1838} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 197 and name HB1 )) 2.900 1.000 1.000 peak 1838 spectrum 1 weight 0.11000E+01 volume 0.18721E-02 ppm1 0.720 ppm2 3.197 CV 1 ASSI { 1839} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 197 and name HB2 )) 2.800 1.000 1.000 peak 1839 spectrum 1 weight 0.11000E+01 volume 0.18910E-02 ppm1 0.720 ppm2 2.954 CV 1 ASSI { 1840} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 198 and name HA )) 2.600 2.600 3.400 peak 1840 spectrum 1 weight 0.11000E+01 volume 0.50285E-03 ppm1 0.722 ppm2 4.610 CV 1 ASSI { 1842} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 201 and name HN )) 3.800 3.800 2.200 peak 1842 spectrum 1 weight 0.11000E+01 volume 0.13830E-02 ppm1 0.721 ppm2 7.356 CV 1 ASSI { 1843} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 202 and name HA )) 2.000 0.500 0.500 peak 1843 spectrum 1 weight 0.11000E+01 volume 0.45977E-02 ppm1 0.721 ppm2 3.422 CV 1 ASSI { 1844} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 202 and name HG12)) 2.100 0.600 0.600 peak 1844 spectrum 1 weight 0.11000E+01 volume 0.78335E-02 ppm1 0.722 ppm2 1.275 CV 1 ASSI { 1845} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 202 and name HN )) 4.400 2.400 1.600 peak 1845 spectrum 1 weight 0.11000E+01 volume 0.41799E-03 ppm1 0.724 ppm2 8.085 CV 1 ASSI { 1846} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 203 and name HA )) 3.500 3.500 2.500 peak 1846 spectrum 1 weight 0.11000E+01 volume 0.31353E-02 ppm1 0.721 ppm2 4.046 CV 1 ASSI { 1847} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 203 and name HG1 )) 3.200 3.200 2.800 peak 1847 spectrum 1 weight 0.11000E+01 volume 0.87117E-02 ppm1 0.721 ppm2 1.534 CV 1 ASSI { 1848} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 204 and name HA )) 4.900 4.900 1.100 peak 1848 spectrum 1 weight 0.11000E+01 volume 0.60941E-03 ppm1 0.720 ppm2 3.581 CV 1 ASSI { 1849} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 204 and name HB )) 3.300 1.400 1.400 peak 1849 spectrum 1 weight 0.11000E+01 volume 0.51168E-02 ppm1 0.721 ppm2 1.952 CV 1 ASSI { 1850} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 205 and name HA )) 3.600 1.600 1.600 peak 1850 spectrum 1 weight 0.11000E+01 volume 0.45977E-02 ppm1 0.721 ppm2 3.422 CV 1 ASSI { 1851} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 205 and name HB1 )) 3.000 1.100 1.100 peak 1851 spectrum 1 weight 0.11000E+01 volume 0.47363E-02 ppm1 0.720 ppm2 1.984 CV 1 ASSI { 1852} ( segid " " and resid 202 and name HD1%) ( segid " " and resid 205 and name HE% ) 2.100 0.500 0.500 peak 1852 spectrum 1 weight 0.11000E+01 volume 0.71967E-02 ppm1 0.720 ppm2 1.495 CV 1 ASSI { 1853} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 205 and name HG1 )) 4.200 2.200 1.800 peak 1853 spectrum 1 weight 0.11000E+01 volume 0.16942E-02 ppm1 0.721 ppm2 2.086 CV 1 OR { 1853} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 205 and name HG2 )) ASSI { 1854} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 205 and name HN )) 3.700 1.700 1.700 peak 1854 spectrum 1 weight 0.11000E+01 volume 0.14170E-02 ppm1 0.720 ppm2 8.816 CV 1 ASSI { 1855} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 206 and name HG1 )) 3.600 1.600 1.600 peak 1855 spectrum 1 weight 0.11000E+01 volume 0.84124E-03 ppm1 0.721 ppm2 2.594 CV 1 ASSI { 1856} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 197 and name HB1 )) 5.500 3.700 0.500 peak 1856 spectrum 1 weight 0.11000E+01 volume 0.29248E-03 ppm1 1.541 ppm2 3.190 CV 1 ASSI { 1857} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 202 and name HA )) 3.400 1.500 1.500 peak 1857 spectrum 1 weight 0.11000E+01 volume 0.87821E-03 ppm1 1.543 ppm2 3.426 CV 1 ASSI { 1858} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 202 and name HB )) 3.100 1.200 1.200 peak 1858 spectrum 1 weight 0.11000E+01 volume 0.21243E-02 ppm1 1.557 ppm2 1.920 CV 1 ASSI { 1859} (( segid " " and resid 202 and name HG11)) ( segid " " and resid 202 and name HD1%) 2.600 0.800 0.800 peak 1859 spectrum 1 weight 0.11000E+01 volume 0.24273E-02 ppm1 1.555 ppm2 0.699 CV 1 ASSI { 1860} (( segid " " and resid 202 and name HG11)) ( segid " " and resid 202 and name HG2%) 2.500 0.800 0.800 peak 1860 spectrum 1 weight 0.11000E+01 volume 0.30273E-02 ppm1 1.557 ppm2 0.816 CV 1 ASSI { 1861} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 202 and name HN )) 5.700 4.000 0.300 peak 1861 spectrum 1 weight 0.11000E+01 volume 0.23791E-03 ppm1 1.555 ppm2 8.085 CV 1 ASSI { 1862} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 203 and name HA )) 5.000 3.200 1.000 peak 1862 spectrum 1 weight 0.11000E+01 volume 0.28528E-03 ppm1 1.542 ppm2 4.011 CV 1 ASSI { 1863} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 206 and name HA )) 4.800 4.800 1.200 peak 1863 spectrum 1 weight 0.11000E+01 volume 0.48032E-03 ppm1 1.543 ppm2 3.640 CV 1 ASSI { 1866} (( segid " " and resid 202 and name HG12)) (( segid " " and resid 202 and name HB )) 2.800 1.000 1.000 peak 1866 spectrum 1 weight 0.11000E+01 volume 0.10634E-02 ppm1 1.294 ppm2 1.910 CV 1 ASSI { 1868} (( segid " " and resid 202 and name HG12)) (( segid " " and resid 202 and name HG11)) 2.200 0.600 0.600 peak 1868 spectrum 1 weight 0.11000E+01 volume 0.31458E-02 ppm1 1.299 ppm2 1.546 CV 1 ASSI { 1870} (( segid " " and resid 202 and name HG12)) (( segid " " and resid 203 and name HA )) 5.800 5.800 0.200 peak 1870 spectrum 1 weight 0.11000E+01 volume 0.27060E-03 ppm1 1.303 ppm2 4.037 CV 1 ASSI { 1872} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 197 and name HB1 )) 4.700 2.800 1.300 peak 1872 spectrum 1 weight 0.11000E+01 volume 0.62188E-03 ppm1 0.840 ppm2 3.230 CV 1 ASSI { 1873} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 199 and name HA )) 2.600 0.900 0.900 peak 1873 spectrum 1 weight 0.11000E+01 volume 0.28358E-02 ppm1 0.843 ppm2 4.049 CV 1 ASSI { 1874} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 199 and name HG1 )) 3.600 1.600 1.600 peak 1874 spectrum 1 weight 0.11000E+01 volume 0.84403E-03 ppm1 0.843 ppm2 2.331 CV 1 ASSI { 1875} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 201 and name HB2 )) 4.100 2.100 1.900 peak 1875 spectrum 1 weight 0.11000E+01 volume 0.11820E-02 ppm1 0.841 ppm2 2.516 CV 1 ASSI { 1876} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 202 and name HA )) 2.600 0.900 0.900 peak 1876 spectrum 1 weight 0.11000E+01 volume 0.45376E-02 ppm1 0.841 ppm2 3.441 CV 1 ASSI { 1877} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 202 and name HB )) 2.100 0.600 0.600 peak 1877 spectrum 1 weight 0.11000E+01 volume 0.92445E-02 ppm1 0.844 ppm2 1.920 CV 1 ASSI { 1878} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 203 and name HA )) 2.700 0.900 0.900 peak 1878 spectrum 1 weight 0.11000E+01 volume 0.28358E-02 ppm1 0.843 ppm2 4.049 CV 1 ASSI { 1879} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 203 and name HE2 )) 4.900 3.000 1.100 peak 1879 spectrum 1 weight 0.11000E+01 volume 0.56070E-03 ppm1 0.848 ppm2 2.936 CV 1 OR { 1879} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 203 and name HE1 )) ASSI { 1880} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 203 and name HG1 )) 3.500 1.600 1.600 peak 1880 spectrum 1 weight 0.11000E+01 volume 0.45546E-02 ppm1 0.842 ppm2 1.552 CV 1 ASSI { 1881} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 204 and name HB )) 2.900 2.900 3.100 peak 1881 spectrum 1 weight 0.11000E+01 volume 0.11032E-01 ppm1 0.844 ppm2 1.952 CV 1 ASSI { 1882} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 205 and name HA )) 3.300 3.300 2.700 peak 1882 spectrum 1 weight 0.11000E+01 volume 0.45376E-02 ppm1 0.841 ppm2 3.441 CV 1 ASSI { 1883} ( segid " " and resid 202 and name HG2%) ( segid " " and resid 205 and name HE% ) 3.800 1.800 1.800 peak 1883 spectrum 1 weight 0.11000E+01 volume 0.32240E-02 ppm1 0.841 ppm2 1.490 CV 1 ASSI { 1884} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 206 and name HG1 )) 2.600 0.800 0.800 peak 1884 spectrum 1 weight 0.11000E+01 volume 0.20960E-02 ppm1 0.841 ppm2 2.569 CV 1 ASSI { 1885} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 206 and name HG2 )) 3.900 1.900 1.900 peak 1885 spectrum 1 weight 0.11000E+01 volume 0.21468E-02 ppm1 0.844 ppm2 2.145 CV 1 ASSI { 1886} (( segid " " and resid 203 and name HA )) (( segid " " and resid 199 and name HB2 )) 3.900 3.900 2.100 peak 1886 spectrum 1 weight 0.11000E+01 volume 0.20338E-02 ppm1 4.056 ppm2 2.091 CV 1 ASSI { 1887} (( segid " " and resid 203 and name HA )) (( segid " " and resid 199 and name HG2 )) 4.200 2.200 1.800 peak 1887 spectrum 1 weight 0.11000E+01 volume 0.36523E-03 ppm1 4.056 ppm2 2.409 CV 1 ASSI { 1888} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HG1 )) 3.900 1.900 1.900 peak 1888 spectrum 1 weight 0.11000E+01 volume 0.41438E-03 ppm1 4.058 ppm2 2.546 CV 1 ASSI { 1890} (( segid " " and resid 203 and name HA )) (( segid " " and resid 203 and name HB1 )) 2.400 0.700 0.700 peak 1890 spectrum 1 weight 0.11000E+01 volume 0.49438E-02 ppm1 4.056 ppm2 1.915 CV 1 ASSI { 1891} (( segid " " and resid 203 and name HA )) (( segid " " and resid 203 and name HD2 )) 4.000 2.000 2.000 peak 1891 spectrum 1 weight 0.11000E+01 volume 0.18634E-02 ppm1 4.054 ppm2 1.603 CV 1 OR { 1891} (( segid " " and resid 203 and name HA )) (( segid " " and resid 203 and name HD1 )) ASSI { 1892} (( segid " " and resid 203 and name HA )) (( segid " " and resid 203 and name HE2 )) 5.300 3.500 0.700 peak 1892 spectrum 1 weight 0.11000E+01 volume 0.30687E-03 ppm1 4.055 ppm2 2.886 CV 1 OR { 1892} (( segid " " and resid 203 and name HA )) (( segid " " and resid 203 and name HE1 )) ASSI { 1893} (( segid " " and resid 203 and name HA )) (( segid " " and resid 205 and name HB2 )) 3.800 3.800 2.200 peak 1893 spectrum 1 weight 0.11000E+01 volume 0.10180E-02 ppm1 4.053 ppm2 1.744 CV 1 ASSI { 1894} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HA )) 5.400 3.600 0.600 peak 1894 spectrum 1 weight 0.11000E+01 volume 0.38887E-03 ppm1 4.051 ppm2 3.640 CV 1 ASSI { 1895} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HB1 )) 4.300 2.300 1.700 peak 1895 spectrum 1 weight 0.11000E+01 volume 0.15897E-02 ppm1 4.056 ppm2 2.199 CV 1 ASSI { 1896} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HG2 )) 4.000 2.000 2.000 peak 1896 spectrum 1 weight 0.11000E+01 volume 0.20622E-02 ppm1 4.056 ppm2 2.145 CV 1 ASSI { 1898} (( segid " " and resid 203 and name HB1 )) (( segid " " and resid 203 and name HG1 )) 2.800 1.000 1.000 peak 1898 spectrum 1 weight 0.11000E+01 volume 0.43082E-02 ppm1 1.868 ppm2 1.559 CV 1 ASSI { 1899} (( segid " " and resid 203 and name HB1 )) (( segid " " and resid 203 and name HG2 )) 2.500 2.500 3.500 peak 1899 spectrum 1 weight 0.11000E+01 volume 0.25017E-02 ppm1 1.955 ppm2 1.432 CV 1 ASSI { 1900} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 183 and name HB )) 3.000 1.100 1.100 peak 1900 spectrum 1 weight 0.11000E+01 volume 0.21539E-02 ppm1 2.016 ppm2 2.287 CV 1 ASSI { 1902} (( segid " " and resid 203 and name HB2 )) (( segid " " and resid 202 and name HA )) 4.600 2.700 1.400 peak 1902 spectrum 1 weight 0.11000E+01 volume 0.61020E-03 ppm1 2.012 ppm2 3.410 CV 1 ASSI { 1903} (( segid " " and resid 203 and name HB2 )) (( segid " " and resid 202 and name HG11)) 3.900 3.900 2.100 peak 1903 spectrum 1 weight 0.11000E+01 volume 0.32628E-02 ppm1 2.014 ppm2 1.515 CV 1 ASSI { 1904} (( segid " " and resid 203 and name HB2 )) (( segid " " and resid 203 and name HA )) 2.500 0.800 0.800 peak 1904 spectrum 1 weight 0.11000E+01 volume 0.30080E-02 ppm1 2.016 ppm2 4.055 CV 1 ASSI { 1905} (( segid " " and resid 203 and name HB2 )) (( segid " " and resid 203 and name HG1 )) 2.500 0.800 0.800 peak 1905 spectrum 1 weight 0.11000E+01 volume 0.29593E-02 ppm1 2.012 ppm2 1.544 CV 1 ASSI { 1906} (( segid " " and resid 203 and name HB2 )) (( segid " " and resid 204 and name HG11)) 3.400 3.400 2.600 peak 1906 spectrum 1 weight 0.11000E+01 volume 0.32628E-02 ppm1 2.014 ppm2 1.534 CV 1 ASSI { 1907} (( segid " " and resid 203 and name HB2 )) (( segid " " and resid 206 and name HB1 )) 4.100 2.100 1.900 peak 1907 spectrum 1 weight 0.11000E+01 volume 0.24003E-02 ppm1 2.019 ppm2 2.199 CV 1 ASSI { 1908} (( segid " " and resid 203 and name HB2 )) (( segid " " and resid 207 and name HG2 )) 3.100 3.100 2.900 peak 1908 spectrum 1 weight 0.11000E+01 volume 0.23163E-02 ppm1 2.012 ppm2 1.691 CV 1 ASSI { 1909} (( segid " " and resid 203 and name HG2 )) (( segid " " and resid 200 and name HA )) 2.500 0.800 0.800 peak 1909 spectrum 1 weight 0.11000E+01 volume 0.78317E-03 ppm1 1.417 ppm2 3.785 CV 1 ASSI { 1910} (( segid " " and resid 203 and name HG2 )) (( segid " " and resid 203 and name HA )) 3.200 1.300 1.300 peak 1910 spectrum 1 weight 0.11000E+01 volume 0.26925E-02 ppm1 1.413 ppm2 4.064 CV 1 ASSI { 1911} (( segid " " and resid 203 and name HG2 )) (( segid " " and resid 203 and name HE1 )) 3.300 1.300 1.300 peak 1911 spectrum 1 weight 0.11000E+01 volume 0.22697E-02 ppm1 1.409 ppm2 2.922 CV 1 OR { 1911} (( segid " " and resid 203 and name HG2 )) (( segid " " and resid 203 and name HE2 )) ASSI { 1912} (( segid " " and resid 203 and name HG2 )) (( segid " " and resid 207 and name HB1 )) 2.900 1.000 1.000 peak 1912 spectrum 1 weight 0.11000E+01 volume 0.49441E-02 ppm1 1.416 ppm2 1.892 CV 1 ASSI { 1913} (( segid " " and resid 204 and name HA )) ( segid " " and resid 140 and name HD% ) 4.500 2.600 1.500 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.33844E-03 ppm1 3.625 ppm2 7.383 CV 1 ASSI { 1915} (( segid " " and resid 204 and name HA )) (( segid " " and resid 203 and name HG1 )) 2.900 2.900 3.100 peak 1915 spectrum 1 weight 0.11000E+01 volume 0.14380E-02 ppm1 3.621 ppm2 1.580 CV 1 ASSI { 1916} (( segid " " and resid 204 and name HA )) (( segid " " and resid 204 and name HB )) 2.700 0.900 0.900 peak 1916 spectrum 1 weight 0.11000E+01 volume 0.19939E-02 ppm1 3.628 ppm2 1.938 CV 1 ASSI { 1918} (( segid " " and resid 204 and name HA )) ( segid " " and resid 204 and name HG2%) 2.500 0.800 0.800 peak 1918 spectrum 1 weight 0.11000E+01 volume 0.30917E-02 ppm1 3.629 ppm2 0.800 CV 1 ASSI { 1919} (( segid " " and resid 204 and name HA )) (( segid " " and resid 207 and name HB1 )) 3.600 1.600 1.600 peak 1919 spectrum 1 weight 0.11000E+01 volume 0.19013E-02 ppm1 3.628 ppm2 1.930 CV 1 ASSI { 1922} (( segid " " and resid 204 and name HB )) (( segid " " and resid 203 and name HA )) 5.000 3.100 1.000 peak 1922 spectrum 1 weight 0.11000E+01 volume 0.30348E-03 ppm1 1.930 ppm2 4.041 CV 1 ASSI { 1923} (( segid " " and resid 204 and name HB )) (( segid " " and resid 203 and name HG1 )) 4.100 2.100 1.900 peak 1923 spectrum 1 weight 0.11000E+01 volume 0.84468E-03 ppm1 1.930 ppm2 1.568 CV 1 ASSI { 1928} (( segid " " and resid 204 and name HB )) (( segid " " and resid 204 and name HG12)) 2.900 1.100 1.100 peak 1928 spectrum 1 weight 0.11000E+01 volume 0.22849E-02 ppm1 1.928 ppm2 0.811 CV 1 ASSI { 1930} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 149 and name HA )) 3.900 1.900 1.900 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.88506E-03 ppm1 0.638 ppm2 4.292 CV 1 ASSI { 1931} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 145 and name HB2 )) 4.000 2.000 2.000 peak 1931 spectrum 1 weight 0.11000E+01 volume 0.12472E-02 ppm1 0.643 ppm2 1.379 CV 1 ASSI { 1932} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 148 and name HB1 )) 3.700 1.700 1.700 peak 1932 spectrum 1 weight 0.11000E+01 volume 0.91209E-03 ppm1 0.639 ppm2 2.751 CV 1 ASSI { 1933} ( segid " " and resid 204 and name HD1%) ( segid " " and resid 148 and name HD% ) 2.200 0.600 0.600 peak 1933 spectrum 1 weight 0.11000E+01 volume 0.43876E-02 ppm1 0.639 ppm2 6.871 CV 1 ASSI { 1934} ( segid " " and resid 204 and name HD1%) ( segid " " and resid 197 and name HD% ) 3.900 3.900 2.100 peak 1934 spectrum 1 weight 0.11000E+01 volume 0.12136E-02 ppm1 0.637 ppm2 7.359 CV 1 ASSI { 1937} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 201 and name HB2 )) 3.800 1.800 1.800 peak 1937 spectrum 1 weight 0.11000E+01 volume 0.11600E-02 ppm1 0.638 ppm2 2.522 CV 1 ASSI { 1938} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 203 and name HG1 )) 3.100 3.100 2.900 peak 1938 spectrum 1 weight 0.11000E+01 volume 0.43872E-02 ppm1 0.639 ppm2 1.557 CV 1 ASSI { 1939} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 204 and name HA )) 3.500 1.500 1.500 peak 1939 spectrum 1 weight 0.11000E+01 volume 0.23067E-02 ppm1 0.638 ppm2 3.615 CV 1 ASSI { 1940} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 204 and name HB )) 2.400 0.700 0.700 peak 1940 spectrum 1 weight 0.11000E+01 volume 0.43250E-02 ppm1 0.638 ppm2 1.911 CV 1 ASSI { 1942} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 207 and name HD1 )) 4.200 2.200 1.800 peak 1942 spectrum 1 weight 0.11000E+01 volume 0.15788E-02 ppm1 0.641 ppm2 3.235 CV 1 ASSI { 1943} (( segid " " and resid 204 and name HG11)) ( segid " " and resid 149 and name HD% ) 5.300 3.600 0.700 peak 1943 spectrum 1 weight 0.11000E+01 volume 0.33874E-03 ppm1 1.565 ppm2 6.880 CV 1 ASSI { 1944} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 200 and name HB )) 3.900 3.900 2.100 peak 1944 spectrum 1 weight 0.11000E+01 volume 0.52957E-03 ppm1 1.563 ppm2 3.718 CV 1 ASSI { 1945} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 201 and name HB2 )) 4.800 2.900 1.200 peak 1945 spectrum 1 weight 0.11000E+01 volume 0.25586E-03 ppm1 1.548 ppm2 2.552 CV 1 ASSI { 1946} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 202 and name HA )) 3.800 3.800 2.200 peak 1946 spectrum 1 weight 0.11000E+01 volume 0.87821E-03 ppm1 1.543 ppm2 3.426 CV 1 ASSI { 1948} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 203 and name HA )) 4.700 4.700 1.300 peak 1948 spectrum 1 weight 0.11000E+01 volume 0.37636E-03 ppm1 1.560 ppm2 4.031 CV 1 ASSI { 1949} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 203 and name HE1 )) 4.700 2.800 1.300 peak 1949 spectrum 1 weight 0.11000E+01 volume 0.32864E-03 ppm1 1.555 ppm2 2.917 CV 1 OR { 1949} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 203 and name HE2 )) ASSI { 1950} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 204 and name HA )) 3.400 1.400 1.400 peak 1950 spectrum 1 weight 0.11000E+01 volume 0.10420E-02 ppm1 1.563 ppm2 3.630 CV 1 ASSI { 1951} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 204 and name HB )) 2.400 0.700 0.700 peak 1951 spectrum 1 weight 0.11000E+01 volume 0.23716E-02 ppm1 1.561 ppm2 1.930 CV 1 ASSI { 1952} (( segid " " and resid 204 and name HG11)) ( segid " " and resid 204 and name HD1%) 2.400 0.700 0.700 peak 1952 spectrum 1 weight 0.11000E+01 volume 0.31173E-02 ppm1 1.556 ppm2 0.689 CV 1 ASSI { 1953} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 204 and name HG12)) 1.900 0.400 0.400 peak 1953 spectrum 1 weight 0.11000E+01 volume 0.46781E-02 ppm1 1.556 ppm2 0.808 CV 1 ASSI { 1954} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 207 and name HB1 )) 3.900 1.900 1.900 peak 1954 spectrum 1 weight 0.11000E+01 volume 0.20855E-02 ppm1 1.554 ppm2 1.881 CV 1 ASSI { 1955} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 207 and name HD1 )) 5.400 3.700 0.600 peak 1955 spectrum 1 weight 0.11000E+01 volume 0.41528E-03 ppm1 1.559 ppm2 3.210 CV 1 ASSI { 1956} (( segid " " and resid 204 and name HG11)) ( segid " " and resid 208 and name HG1%) 5.400 5.400 0.600 peak 1956 spectrum 1 weight 0.11000E+01 volume 0.27258E-03 ppm1 1.557 ppm2 1.090 CV 1 ASSI { 1957} (( segid " " and resid 204 and name HG11)) ( segid " " and resid 208 and name HG2%) 5.000 3.100 1.000 peak 1957 spectrum 1 weight 0.11000E+01 volume 0.44596E-03 ppm1 1.557 ppm2 1.021 CV 1 ASSI { 1958} (( segid " " and resid 204 and name HG12)) ( segid " " and resid 149 and name HD% ) 4.200 2.300 1.800 peak 1958 spectrum 1 weight 0.11000E+01 volume 0.29784E-03 ppm1 0.812 ppm2 6.871 CV 1 ASSI { 1959} (( segid " " and resid 204 and name HG12)) (( segid " " and resid 203 and name HB1 )) 4.800 2.900 1.200 peak 1959 spectrum 1 weight 0.11000E+01 volume 0.55874E-03 ppm1 0.823 ppm2 1.913 CV 1 ASSI { 1960} (( segid " " and resid 204 and name HG12)) (( segid " " and resid 204 and name HA )) 2.800 1.000 1.000 peak 1960 spectrum 1 weight 0.11000E+01 volume 0.80696E-03 ppm1 0.812 ppm2 3.628 CV 1 ASSI { 1961} (( segid " " and resid 204 and name HG12)) ( segid " " and resid 204 and name HD1%) 2.600 0.800 0.800 peak 1961 spectrum 1 weight 0.11000E+01 volume 0.19256E-02 ppm1 0.820 ppm2 0.635 CV 1 ASSI { 1966} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 149 and name HB1 )) 3.000 3.000 3.000 peak 1966 spectrum 1 weight 0.11000E+01 volume 0.16992E-02 ppm1 0.797 ppm2 3.234 CV 1 ASSI { 1973} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 202 and name HB )) 3.500 3.500 2.500 peak 1973 spectrum 1 weight 0.11000E+01 volume 0.43747E-02 ppm1 0.796 ppm2 1.930 CV 1 ASSI { 1974} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 203 and name HG1 )) 3.700 1.700 1.700 peak 1974 spectrum 1 weight 0.11000E+01 volume 0.16577E-02 ppm1 0.796 ppm2 1.564 CV 1 ASSI { 1976} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 204 and name HB )) 2.200 0.600 0.600 peak 1976 spectrum 1 weight 0.11000E+01 volume 0.43747E-02 ppm1 0.796 ppm2 1.930 CV 1 ASSI { 1977} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 205 and name HA )) 3.100 1.200 1.200 peak 1977 spectrum 1 weight 0.11000E+01 volume 0.96232E-03 ppm1 0.798 ppm2 3.435 CV 1 ASSI { 1978} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 205 and name HG1 )) 3.200 1.300 1.300 peak 1978 spectrum 1 weight 0.11000E+01 volume 0.11940E-02 ppm1 0.793 ppm2 2.062 CV 1 ASSI { 1979} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 206 and name HG1 )) 4.700 4.700 1.300 peak 1979 spectrum 1 weight 0.11000E+01 volume 0.42436E-03 ppm1 0.796 ppm2 2.614 CV 1 ASSI { 1980} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 207 and name HE )) 3.100 1.200 1.200 peak 1980 spectrum 1 weight 0.11000E+01 volume 0.23624E-02 ppm1 0.797 ppm2 7.323 CV 1 ASSI { 1981} ( segid " " and resid 204 and name HG2%) ( segid " " and resid 208 and name HG1%) 2.900 1.000 1.000 peak 1981 spectrum 1 weight 0.11000E+01 volume 0.27338E-02 ppm1 0.797 ppm2 1.055 CV 1 ASSI { 1982} ( segid " " and resid 204 and name HG2%) ( segid " " and resid 208 and name HG2%) 2.500 0.800 0.800 peak 1982 spectrum 1 weight 0.11000E+01 volume 0.36964E-02 ppm1 0.793 ppm2 0.997 CV 1 ASSI { 1987} (( segid " " and resid 205 and name HA )) (( segid " " and resid 205 and name HB1 )) 2.400 0.700 0.700 peak 1987 spectrum 1 weight 0.11000E+01 volume 0.33589E-02 ppm1 3.442 ppm2 1.988 CV 1 ASSI { 1988} (( segid " " and resid 205 and name HA )) (( segid " " and resid 205 and name HG1 )) 2.300 0.700 0.700 peak 1988 spectrum 1 weight 0.11000E+01 volume 0.27889E-02 ppm1 3.437 ppm2 2.052 CV 1 ASSI { 1989} (( segid " " and resid 205 and name HA )) (( segid " " and resid 206 and name HA )) 3.500 1.500 1.500 peak 1989 spectrum 1 weight 0.11000E+01 volume 0.82162E-03 ppm1 3.437 ppm2 3.620 CV 1 ASSI { 1990} (( segid " " and resid 205 and name HA )) (( segid " " and resid 207 and name HD1 )) 4.300 2.300 1.700 peak 1990 spectrum 1 weight 0.11000E+01 volume 0.46694E-03 ppm1 3.436 ppm2 3.210 CV 1 ASSI { 1991} (( segid " " and resid 205 and name HA )) (( segid " " and resid 208 and name HB )) 2.800 1.000 1.000 peak 1991 spectrum 1 weight 0.11000E+01 volume 0.19363E-02 ppm1 3.439 ppm2 2.106 CV 1 ASSI { 1992} (( segid " " and resid 205 and name HA )) ( segid " " and resid 208 and name HG2%) 3.100 1.200 1.200 peak 1992 spectrum 1 weight 0.11000E+01 volume 0.18676E-02 ppm1 3.437 ppm2 1.031 CV 1 ASSI { 1994} (( segid " " and resid 205 and name HA )) ( segid " " and resid 209 and name HG2%) 3.600 1.600 1.600 peak 1994 spectrum 1 weight 0.11000E+01 volume 0.75402E-03 ppm1 3.436 ppm2 1.178 CV 1 ASSI { 1995} (( segid " " and resid 205 and name HB1 )) ( segid " " and resid 183 and name HG1%) 2.600 2.600 3.400 peak 1995 spectrum 1 weight 0.11000E+01 volume 0.64518E-03 ppm1 1.955 ppm2 0.972 CV 1 ASSI { 1997} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 202 and name HG12)) 5.300 5.300 0.700 peak 1997 spectrum 1 weight 0.11000E+01 volume 0.57060E-03 ppm1 1.965 ppm2 1.266 CV 1 ASSI { 2001} (( segid " " and resid 205 and name HB2 )) ( segid " " and resid 183 and name HG1%) 3.800 3.800 2.200 peak 2001 spectrum 1 weight 0.11000E+01 volume 0.10892E-02 ppm1 1.850 ppm2 0.992 CV 1 ASSI { 2003} (( segid " " and resid 205 and name HB2 )) (( segid " " and resid 201 and name HA )) 4.500 4.500 1.500 peak 2003 spectrum 1 weight 0.11000E+01 volume 0.73195E-03 ppm1 1.671 ppm2 4.557 CV 1 ASSI { 2004} (( segid " " and resid 205 and name HB2 )) (( segid " " and resid 205 and name HA )) 3.000 3.000 3.000 peak 2004 spectrum 1 weight 0.11000E+01 volume 0.11915E-02 ppm1 1.855 ppm2 3.439 CV 1 ASSI { 2005} (( segid " " and resid 205 and name HB2 )) (( segid " " and resid 205 and name HB1 )) 1.700 1.700 4.300 peak 2005 spectrum 1 weight 0.11000E+01 volume 0.36999E-02 ppm1 1.668 ppm2 1.987 CV 1 ASSI { 2006} (( segid " " and resid 205 and name HB2 )) ( segid " " and resid 205 and name HE% ) 2.600 2.600 3.400 peak 2006 spectrum 1 weight 0.11000E+01 volume 0.80062E-03 ppm1 1.853 ppm2 1.520 CV 1 ASSI { 2007} (( segid " " and resid 205 and name HB2 )) (( segid " " and resid 209 and name HB )) 3.500 3.500 2.500 peak 2007 spectrum 1 weight 0.11000E+01 volume 0.16413E-02 ppm1 1.665 ppm2 2.145 CV 1 ASSI { 2009} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 156 and name HA )) 3.700 1.700 1.700 peak 2009 spectrum 1 weight 0.11000E+01 volume 0.71545E-03 ppm1 1.497 ppm2 4.975 CV 1 ASSI { 2010} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 156 and name HD% ) 2.700 0.900 0.900 peak 2010 spectrum 1 weight 0.11000E+01 volume 0.17622E-02 ppm1 1.503 ppm2 7.007 CV 1 ASSI { 2011} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 183 and name HB )) 3.000 1.200 1.200 peak 2011 spectrum 1 weight 0.11000E+01 volume 0.12253E-02 ppm1 1.494 ppm2 2.287 CV 1 ASSI { 2012} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 183 and name HG1%) 3.500 1.600 1.600 peak 2012 spectrum 1 weight 0.11000E+01 volume 0.56792E-02 ppm1 1.497 ppm2 1.031 CV 1 ASSI { 2013} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 197 and name HA )) 4.000 2.000 2.000 peak 2013 spectrum 1 weight 0.11000E+01 volume 0.67365E-03 ppm1 1.497 ppm2 5.282 CV 1 ASSI { 2014} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 197 and name HB2 )) 3.300 1.300 1.300 peak 2014 spectrum 1 weight 0.11000E+01 volume 0.16116E-02 ppm1 1.494 ppm2 2.980 CV 1 ASSI { 2015} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 197 and name HD% ) 2.800 2.800 3.200 peak 2015 spectrum 1 weight 0.11000E+01 volume 0.41967E-02 ppm1 1.497 ppm2 7.346 CV 1 ASSI { 2016} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 197 and name HE% ) 3.100 3.100 2.900 peak 2016 spectrum 1 weight 0.11000E+01 volume 0.24070E-02 ppm1 1.497 ppm2 6.953 CV 1 ASSI { 2018} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 201 and name HA )) 3.600 1.700 1.700 peak 2018 spectrum 1 weight 0.11000E+01 volume 0.11306E-02 ppm1 1.497 ppm2 4.511 CV 1 ASSI { 2019} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 201 and name HN )) 2.000 2.000 4.000 peak 2019 spectrum 1 weight 0.11000E+01 volume 0.21391E-02 ppm1 1.496 ppm2 7.440 CV 1 ASSI { 2020} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 202 and name HA )) 2.300 0.700 0.700 peak 2020 spectrum 1 weight 0.11000E+01 volume 0.71946E-02 ppm1 1.497 ppm2 3.422 CV 1 ASSI { 2021} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 202 and name HB )) 3.000 3.000 3.000 peak 2021 spectrum 1 weight 0.11000E+01 volume 0.83543E-02 ppm1 1.499 ppm2 1.915 CV 1 ASSI { 2023} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 202 and name HG12)) 3.400 1.500 1.500 peak 2023 spectrum 1 weight 0.11000E+01 volume 0.61515E-02 ppm1 1.499 ppm2 1.270 CV 1 ASSI { 2024} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 203 and name HA )) 4.200 2.200 1.800 peak 2024 spectrum 1 weight 0.11000E+01 volume 0.11812E-02 ppm1 1.497 ppm2 4.065 CV 1 ASSI { 2025} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 207 and name HG2 )) 3.500 3.500 2.500 peak 2025 spectrum 1 weight 0.11000E+01 volume 0.51987E-02 ppm1 1.496 ppm2 1.671 CV 1 ASSI { 2026} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 204 and name HA )) 3.800 1.800 1.800 peak 2026 spectrum 1 weight 0.11000E+01 volume 0.23741E-02 ppm1 1.497 ppm2 3.616 CV 1 ASSI { 2027} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 204 and name HG12)) 3.700 1.700 1.700 peak 2027 spectrum 1 weight 0.11000E+01 volume 0.41639E-02 ppm1 1.496 ppm2 0.821 CV 1 ASSI { 2028} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 205 and name HA )) 3.000 1.100 1.100 peak 2028 spectrum 1 weight 0.11000E+01 volume 0.71946E-02 ppm1 1.497 ppm2 3.422 CV 1 ASSI { 2029} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 205 and name HB1 )) 2.800 1.000 1.000 peak 2029 spectrum 1 weight 0.11000E+01 volume 0.10298E-01 ppm1 1.497 ppm2 1.974 CV 1 ASSI { 2030} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 205 and name HN )) 3.500 1.500 1.500 peak 2030 spectrum 1 weight 0.11000E+01 volume 0.64874E-03 ppm1 1.496 ppm2 8.827 CV 1 ASSI { 2031} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 206 and name HG1 )) 3.600 1.600 1.600 peak 2031 spectrum 1 weight 0.11000E+01 volume 0.20917E-02 ppm1 1.496 ppm2 2.584 CV 1 ASSI { 2033} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 209 and name HG1%) 3.300 3.300 2.700 peak 2033 spectrum 1 weight 0.11000E+01 volume 0.81984E-02 ppm1 1.496 ppm2 0.952 CV 1 ASSI { 2034} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 209 and name HG2%) 3.600 1.600 1.600 peak 2034 spectrum 1 weight 0.11000E+01 volume 0.44143E-02 ppm1 1.496 ppm2 1.173 CV 1 ASSI { 2035} (( segid " " and resid 205 and name HG1 )) (( segid " " and resid 156 and name HA )) 4.000 4.000 2.000 peak 2035 spectrum 1 weight 0.11000E+01 volume 0.12090E-03 ppm1 1.984 ppm2 4.977 CV 1 ASSI { 2036} (( segid " " and resid 205 and name HG1 )) ( segid " " and resid 156 and name HD% ) 4.800 4.800 1.200 peak 2036 spectrum 1 weight 0.11000E+01 volume 0.30614E-03 ppm1 2.008 ppm2 7.020 CV 1 ASSI { 2037} (( segid " " and resid 205 and name HG1 )) ( segid " " and resid 183 and name HG2%) 4.000 4.000 2.000 peak 2037 spectrum 1 weight 0.11000E+01 volume 0.26240E-02 ppm1 2.013 ppm2 0.943 CV 1 ASSI { 2041} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 156 and name HA )) 4.500 2.500 1.500 peak 2041 spectrum 1 weight 0.11000E+01 volume 0.22539E-03 ppm1 2.043 ppm2 4.981 CV 1 ASSI { 2042} (( segid " " and resid 205 and name HG2 )) ( segid " " and resid 156 and name HD% ) 5.300 3.500 0.700 peak 2042 spectrum 1 weight 0.11000E+01 volume 0.29987E-03 ppm1 2.048 ppm2 7.021 CV 1 ASSI { 2043} (( segid " " and resid 205 and name HG2 )) ( segid " " and resid 181 and name HD1%) 5.900 5.900 0.100 peak 2043 spectrum 1 weight 0.11000E+01 volume 0.23047E-03 ppm1 2.035 ppm2 0.435 CV 1 ASSI { 2044} (( segid " " and resid 205 and name HG2 )) ( segid " " and resid 183 and name HG2%) 3.900 1.900 1.900 peak 2044 spectrum 1 weight 0.11000E+01 volume 0.20771E-02 ppm1 2.035 ppm2 0.933 CV 1 ASSI { 2046} (( segid " " and resid 203 and name HB2 )) (( segid " " and resid 203 and name HE2 )) 4.100 2.100 1.900 peak 2046 spectrum 1 weight 0.11000E+01 volume 0.25622E-03 ppm1 2.040 ppm2 2.917 CV 1 OR { 2046} (( segid " " and resid 203 and name HB2 )) (( segid " " and resid 203 and name HE1 )) ASSI { 2047} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 205 and name HA )) 3.700 1.700 1.700 peak 2047 spectrum 1 weight 0.11000E+01 volume 0.65115E-03 ppm1 2.039 ppm2 3.464 CV 1 ASSI { 2048} (( segid " " and resid 206 and name HA )) ( segid " " and resid 183 and name HG1%) 3.100 1.200 1.200 peak 2048 spectrum 1 weight 0.11000E+01 volume 0.31370E-02 ppm1 3.633 ppm2 0.992 CV 1 ASSI { 2049} (( segid " " and resid 206 and name HA )) ( segid " " and resid 183 and name HG2%) 3.200 3.200 2.800 peak 2049 spectrum 1 weight 0.11000E+01 volume 0.32423E-02 ppm1 3.633 ppm2 0.963 CV 1 ASSI { 2050} (( segid " " and resid 206 and name HA )) (( segid " " and resid 205 and name HB1 )) 2.800 2.800 3.200 peak 2050 spectrum 1 weight 0.11000E+01 volume 0.22321E-02 ppm1 3.630 ppm2 1.965 CV 1 ASSI { 2051} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HG1 )) 3.800 1.800 1.800 peak 2051 spectrum 1 weight 0.11000E+01 volume 0.11664E-02 ppm1 3.639 ppm2 2.577 CV 1 ASSI { 2052} (( segid " " and resid 206 and name HA )) (( segid " " and resid 209 and name HB )) 2.700 2.700 3.300 peak 2052 spectrum 1 weight 0.11000E+01 volume 0.32152E-02 ppm1 3.633 ppm2 2.167 CV 1 ASSI { 2054} (( segid " " and resid 206 and name HA )) (( segid " " and resid 210 and name HG1 )) 3.600 1.600 1.600 peak 2054 spectrum 1 weight 0.11000E+01 volume 0.33413E-02 ppm1 3.624 ppm2 2.164 CV 1 ASSI { 2055} (( segid " " and resid 206 and name HA )) (( segid " " and resid 210 and name HN )) 3.600 1.700 1.700 peak 2055 spectrum 1 weight 0.11000E+01 volume 0.38150E-03 ppm1 3.627 ppm2 8.159 CV 1 ASSI { 2057} (( segid " " and resid 206 and name HG1 )) ( segid " " and resid 183 and name HG2%) 3.300 1.400 1.400 peak 2057 spectrum 1 weight 0.11000E+01 volume 0.13969E-02 ppm1 2.570 ppm2 0.899 CV 1 ASSI { 2059} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 206 and name HG2 )) 1.900 0.500 0.500 peak 2059 spectrum 1 weight 0.11000E+01 volume 0.66169E-02 ppm1 2.569 ppm2 2.138 CV 1 ASSI { 2060} (( segid " " and resid 206 and name HG1 )) ( segid " " and resid 209 and name HG1%) 4.400 2.400 1.600 peak 2060 spectrum 1 weight 0.11000E+01 volume 0.16502E-02 ppm1 2.575 ppm2 0.976 CV 1 ASSI { 2061} (( segid " " and resid 206 and name HG2 )) ( segid " " and resid 183 and name HG2%) 3.100 1.200 1.200 peak 2061 spectrum 1 weight 0.11000E+01 volume 0.13349E-02 ppm1 2.129 ppm2 0.919 CV 1 ASSI { 2063} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 206 and name HA )) 2.900 1.000 1.000 peak 2063 spectrum 1 weight 0.11000E+01 volume 0.11650E-02 ppm1 2.117 ppm2 3.631 CV 1 ASSI { 2065} (( segid " " and resid 206 and name HG2 )) ( segid " " and resid 209 and name HG1%) 4.100 2.100 1.900 peak 2065 spectrum 1 weight 0.11000E+01 volume 0.15412E-02 ppm1 2.126 ppm2 0.967 CV 1 ASSI { 2066} (( segid " " and resid 207 and name HA )) ( segid " " and resid 204 and name HG2%) 4.900 4.900 1.100 peak 2066 spectrum 1 weight 0.11000E+01 volume 0.41325E-03 ppm1 4.177 ppm2 0.800 CV 1 ASSI { 2067} (( segid " " and resid 207 and name HA )) ( segid " " and resid 208 and name HG2%) 4.500 2.500 1.500 peak 2067 spectrum 1 weight 0.11000E+01 volume 0.55935E-03 ppm1 4.173 ppm2 1.049 CV 1 ASSI { 2070} (( segid " " and resid 207 and name HD1 )) (( segid " " and resid 204 and name HB )) 3.600 1.600 1.600 peak 2070 spectrum 1 weight 0.11000E+01 volume 0.31042E-02 ppm1 3.221 ppm2 1.945 CV 1 ASSI { 2071} (( segid " " and resid 207 and name HD1 )) (( segid " " and resid 207 and name HG2 )) 2.700 0.900 0.900 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.32138E-02 ppm1 3.221 ppm2 1.739 CV 1 ASSI { 2072} (( segid " " and resid 207 and name HD1 )) (( segid " " and resid 205 and name HG1 )) 3.700 3.700 2.300 peak 2072 spectrum 1 weight 0.11000E+01 volume 0.17827E-02 ppm1 3.221 ppm2 2.013 CV 1 ASSI { 2073} (( segid " " and resid 207 and name HD1 )) (( segid " " and resid 207 and name HA )) 3.600 1.700 1.700 peak 2073 spectrum 1 weight 0.11000E+01 volume 0.11738E-02 ppm1 3.221 ppm2 4.172 CV 1 ASSI { 2075} (( segid " " and resid 207 and name HD2 )) (( segid " " and resid 204 and name HB )) 3.800 3.800 2.200 peak 2075 spectrum 1 weight 0.11000E+01 volume 0.11514E-02 ppm1 3.143 ppm2 1.974 CV 1 ASSI { 2076} (( segid " " and resid 207 and name HD2 )) (( segid " " and resid 207 and name HG1 )) 2.500 0.800 0.800 peak 2076 spectrum 1 weight 0.11000E+01 volume 0.25221E-02 ppm1 3.143 ppm2 1.763 CV 1 ASSI { 2077} (( segid " " and resid 207 and name HD2 )) (( segid " " and resid 207 and name HA )) 4.200 2.200 1.800 peak 2077 spectrum 1 weight 0.11000E+01 volume 0.11335E-02 ppm1 3.144 ppm2 4.184 CV 1 ASSI { 2078} (( segid " " and resid 207 and name HD2 )) (( segid " " and resid 207 and name HG2 )) 2.800 0.900 0.900 peak 2078 spectrum 1 weight 0.11000E+01 volume 0.23368E-02 ppm1 3.140 ppm2 1.720 CV 1 ASSI { 2079} (( segid " " and resid 207 and name HG1 )) (( segid " " and resid 203 and name HB2 )) 3.200 3.200 2.800 peak 2079 spectrum 1 weight 0.11000E+01 volume 0.18519E-02 ppm1 1.792 ppm2 2.047 CV 1 ASSI { 2082} (( segid " " and resid 207 and name HG2 )) (( segid " " and resid 205 and name HG1 )) 3.800 3.800 2.200 peak 2082 spectrum 1 weight 0.11000E+01 volume 0.22481E-02 ppm1 1.704 ppm2 2.057 CV 1 ASSI { 2083} (( segid " " and resid 207 and name HG2 )) (( segid " " and resid 207 and name HA )) 4.100 2.100 1.900 peak 2083 spectrum 1 weight 0.11000E+01 volume 0.11608E-02 ppm1 1.701 ppm2 4.160 CV 1 ASSI { 2086} (( segid " " and resid 208 and name HA )) (( segid " " and resid 138 and name HG11)) 3.800 1.800 1.800 peak 2086 spectrum 1 weight 0.11000E+01 volume 0.68350E-03 ppm1 3.518 ppm2 0.709 CV 1 ASSI { 2087} (( segid " " and resid 208 and name HA )) (( segid " " and resid 138 and name HG12)) 3.800 1.800 1.800 peak 2087 spectrum 1 weight 0.11000E+01 volume 0.10295E-02 ppm1 3.519 ppm2 0.885 CV 1 ASSI { 2088} (( segid " " and resid 208 and name HA )) ( segid " " and resid 204 and name HG2%) 4.000 2.100 2.000 peak 2088 spectrum 1 weight 0.11000E+01 volume 0.74829E-03 ppm1 3.515 ppm2 0.792 CV 1 ASSI { 2089} (( segid " " and resid 208 and name HA )) (( segid " " and resid 207 and name HB1 )) 4.400 2.400 1.600 peak 2089 spectrum 1 weight 0.11000E+01 volume 0.60551E-03 ppm1 3.518 ppm2 1.881 CV 1 ASSI { 2090} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HB )) 2.700 0.900 0.900 peak 2090 spectrum 1 weight 0.11000E+01 volume 0.21879E-02 ppm1 3.520 ppm2 2.109 CV 1 ASSI { 2093} (( segid " " and resid 208 and name HA )) (( segid " " and resid 211 and name HB1 )) 3.300 1.400 1.400 peak 2093 spectrum 1 weight 0.11000E+01 volume 0.52892E-03 ppm1 3.521 ppm2 2.370 CV 1 ASSI { 2095} (( segid " " and resid 208 and name HB )) ( segid " " and resid 208 and name HG1%) 2.700 0.900 0.900 peak 2095 spectrum 1 weight 0.11000E+01 volume 0.24218E-02 ppm1 2.101 ppm2 1.057 CV 1 ASSI { 2096} (( segid " " and resid 208 and name HB )) ( segid " " and resid 208 and name HG2%) 2.900 1.000 1.000 peak 2096 spectrum 1 weight 0.11000E+01 volume 0.17572E-02 ppm1 2.099 ppm2 1.007 CV 1 ASSI { 2100} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 135 and name HA )) 2.200 2.200 3.800 peak 2100 spectrum 1 weight 0.11000E+01 volume 0.15000E-02 ppm1 1.112 ppm2 4.390 CV 1 ASSI { 2101} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 135 and name HD1 )) 2.200 2.200 3.800 peak 2101 spectrum 1 weight 0.11000E+01 volume 0.12667E-02 ppm1 1.110 ppm2 3.034 CV 1 ASSI { 2102} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 135 and name HD2 )) 2.100 2.100 3.900 peak 2102 spectrum 1 weight 0.11000E+01 volume 0.16211E-02 ppm1 1.112 ppm2 3.112 CV 1 ASSI { 2107} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 205 and name HG1 )) 2.600 2.600 3.400 peak 2107 spectrum 1 weight 0.11000E+01 volume 0.80450E-02 ppm1 1.112 ppm2 2.085 CV 1 OR { 2107} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 205 and name HG2 )) ASSI { 2108} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 207 and name HB1 )) 3.300 3.300 2.700 peak 2108 spectrum 1 weight 0.11000E+01 volume 0.55874E-02 ppm1 1.112 ppm2 1.898 CV 1 ASSI { 2109} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 207 and name HD1 )) 3.400 1.500 1.500 peak 2109 spectrum 1 weight 0.11000E+01 volume 0.16623E-02 ppm1 1.113 ppm2 3.168 CV 1 ASSI { 2110} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 207 and name HE )) 4.300 2.400 1.700 peak 2110 spectrum 1 weight 0.11000E+01 volume 0.54481E-03 ppm1 1.114 ppm2 7.341 CV 1 ASSI { 2111} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 207 and name HG2 )) 3.800 1.800 1.800 peak 2111 spectrum 1 weight 0.11000E+01 volume 0.20639E-02 ppm1 1.108 ppm2 1.739 CV 1 ASSI { 2112} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 208 and name HA )) 2.500 0.800 0.800 peak 2112 spectrum 1 weight 0.11000E+01 volume 0.40072E-02 ppm1 1.113 ppm2 3.484 CV 1 ASSI { 2113} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 209 and name HA )) 2.700 0.900 0.900 peak 2113 spectrum 1 weight 0.11000E+01 volume 0.40260E-02 ppm1 1.112 ppm2 3.620 CV 1 ASSI { 2114} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 209 and name HB )) 3.100 3.100 2.900 peak 2114 spectrum 1 weight 0.11000E+01 volume 0.34649E-02 ppm1 1.110 ppm2 2.194 CV 1 ASSI { 2116} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 211 and name HG1 )) 4.000 2.000 2.000 peak 2116 spectrum 1 weight 0.11000E+01 volume 0.12498E-02 ppm1 1.111 ppm2 2.446 CV 1 ASSI { 2117} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 212 and name HA )) 4.600 2.600 1.400 peak 2117 spectrum 1 weight 0.11000E+01 volume 0.61713E-03 ppm1 1.113 ppm2 4.075 CV 1 ASSI { 2118} ( segid " " and resid 208 and name HG1%) ( segid " " and resid 212 and name HE% ) 3.100 3.100 2.900 peak 2118 spectrum 1 weight 0.11000E+01 volume 0.80450E-02 ppm1 1.112 ppm2 2.085 CV 1 ASSI { 2119} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 212 and name HG1 )) 4.100 2.100 1.900 peak 2119 spectrum 1 weight 0.11000E+01 volume 0.97951E-03 ppm1 1.111 ppm2 2.742 CV 1 ASSI { 2123} ( segid " " and resid 208 and name HG2%) ( segid " " and resid 205 and name HE% ) 2.300 2.300 3.700 peak 2123 spectrum 1 weight 0.11000E+01 volume 0.10460E-02 ppm1 1.051 ppm2 1.500 CV 1 ASSI { 2125} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 208 and name HA )) 2.800 1.000 1.000 peak 2125 spectrum 1 weight 0.11000E+01 volume 0.20468E-02 ppm1 1.052 ppm2 3.493 CV 1 ASSI { 2126} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 209 and name HA )) 3.200 3.200 2.800 peak 2126 spectrum 1 weight 0.11000E+01 volume 0.30423E-02 ppm1 1.052 ppm2 3.650 CV 1 ASSI { 2127} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 204 and name HA )) 3.000 1.100 1.100 peak 2127 spectrum 1 weight 0.11000E+01 volume 0.31591E-02 ppm1 1.051 ppm2 3.581 CV 1 ASSI { 2128} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 206 and name HG2 )) 3.300 3.300 2.700 peak 2128 spectrum 1 weight 0.11000E+01 volume 0.44900E-02 ppm1 1.050 ppm2 2.145 CV 1 ASSI { 2130} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 212 and name HB2 )) 3.500 3.500 2.500 peak 2130 spectrum 1 weight 0.11000E+01 volume 0.20915E-02 ppm1 1.050 ppm2 2.321 CV 1 ASSI { 2131} (( segid " " and resid 209 and name HA )) ( segid " " and resid 133 and name HE% ) 3.300 1.400 1.400 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.13087E-02 ppm1 3.658 ppm2 1.905 CV 1 ASSI { 2132} (( segid " " and resid 209 and name HA )) ( segid " " and resid 212 and name HE% ) 3.700 1.700 1.700 peak 2132 spectrum 1 weight 0.11000E+01 volume 0.21005E-02 ppm1 3.654 ppm2 2.174 CV 1 ASSI { 2134} (( segid " " and resid 209 and name HB )) (( segid " " and resid 209 and name HA )) 3.200 1.300 1.300 peak 2134 spectrum 1 weight 0.11000E+01 volume 0.98829E-03 ppm1 2.188 ppm2 3.643 CV 1 ASSI { 2138} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 137 and name HG )) 2.200 0.600 0.600 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.89130E-02 ppm1 0.939 ppm2 1.617 CV 1 ASSI { 2142} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 137 and name HA )) 3.900 1.900 1.900 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.18338E-02 ppm1 0.940 ppm2 4.555 CV 1 ASSI { 2143} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 178 and name HB2 )) 3.400 3.400 2.600 peak 2143 spectrum 1 weight 0.11000E+01 volume 0.12591E-02 ppm1 0.939 ppm2 3.155 CV 1 ASSI { 2144} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 205 and name HA )) 4.000 2.000 2.000 peak 2144 spectrum 1 weight 0.11000E+01 volume 0.11329E-02 ppm1 0.940 ppm2 3.445 CV 1 ASSI { 2146} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 205 and name HG1 )) 3.500 1.600 1.600 peak 2146 spectrum 1 weight 0.11000E+01 volume 0.31153E-02 ppm1 0.940 ppm2 2.037 CV 1 ASSI { 2148} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 206 and name HA )) 3.000 1.100 1.100 peak 2148 spectrum 1 weight 0.11000E+01 volume 0.39874E-02 ppm1 0.941 ppm2 3.657 CV 1 ASSI { 2149} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 208 and name HG1%) 3.100 3.100 2.900 peak 2149 spectrum 1 weight 0.11000E+01 volume 0.61283E-02 ppm1 0.939 ppm2 1.095 CV 1 ASSI { 2151} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 209 and name HA )) 2.500 0.800 0.800 peak 2151 spectrum 1 weight 0.11000E+01 volume 0.39874E-02 ppm1 0.941 ppm2 3.657 CV 1 ASSI { 2152} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 209 and name HB )) 2.300 0.600 0.600 peak 2152 spectrum 1 weight 0.11000E+01 volume 0.43849E-02 ppm1 0.941 ppm2 2.175 CV 1 ASSI { 2154} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 210 and name HN )) 3.400 1.400 1.400 peak 2154 spectrum 1 weight 0.11000E+01 volume 0.79107E-03 ppm1 0.944 ppm2 8.139 CV 1 ASSI { 2155} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 212 and name HB2 )) 3.800 1.800 1.800 peak 2155 spectrum 1 weight 0.11000E+01 volume 0.13831E-02 ppm1 0.940 ppm2 2.301 CV 1 ASSI { 2156} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 212 and name HE% ) 3.100 3.100 2.900 peak 2156 spectrum 1 weight 0.11000E+01 volume 0.43849E-02 ppm1 0.941 ppm2 2.175 CV 1 ASSI { 2158} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 160 and name HA )) 5.000 3.100 1.000 peak 2158 spectrum 1 weight 0.11000E+01 volume 0.33112E-03 ppm1 1.216 ppm2 4.913 CV 1 ASSI { 2159} ( segid " " and resid 209 and name HG2%) ( segid " " and resid 160 and name HG2%) 3.500 1.600 1.600 peak 2159 spectrum 1 weight 0.11000E+01 volume 0.15501E-02 ppm1 1.222 ppm2 0.728 CV 1 ASSI { 2160} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 179 and name HA )) 3.300 1.400 1.400 peak 2160 spectrum 1 weight 0.11000E+01 volume 0.45524E-02 ppm1 1.221 ppm2 3.669 CV 1 ASSI { 2161} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 182 and name HB )) 3.700 1.700 1.700 peak 2161 spectrum 1 weight 0.11000E+01 volume 0.20581E-02 ppm1 1.221 ppm2 4.506 CV 1 ASSI { 2164} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 205 and name HN )) 2.600 2.600 3.400 peak 2164 spectrum 1 weight 0.11000E+01 volume 0.57057E-03 ppm1 1.225 ppm2 8.817 CV 1 ASSI { 2165} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 206 and name HG1 )) 4.700 4.700 1.300 peak 2165 spectrum 1 weight 0.11000E+01 volume 0.66149E-03 ppm1 1.226 ppm2 2.555 CV 1 ASSI { 2166} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 209 and name HA )) 2.500 0.800 0.800 peak 2166 spectrum 1 weight 0.11000E+01 volume 0.31153E-02 ppm1 1.221 ppm2 3.620 CV 1 ASSI { 2167} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 209 and name HB )) 2.400 0.700 0.700 peak 2167 spectrum 1 weight 0.11000E+01 volume 0.36639E-02 ppm1 1.223 ppm2 2.175 CV 1 ASSI { 2168} ( segid " " and resid 209 and name HG2%) ( segid " " and resid 209 and name HG1%) 2.200 0.600 0.600 peak 2168 spectrum 1 weight 0.11000E+01 volume 0.88014E-02 ppm1 1.221 ppm2 0.953 CV 1 ASSI { 2170} (( segid " " and resid 210 and name HA )) (( segid " " and resid 210 and name HG2 )) 3.300 1.300 1.300 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.18469E-02 ppm1 3.548 ppm2 2.052 CV 1 ASSI { 2171} (( segid " " and resid 210 and name HA )) ( segid " " and resid 179 and name HG1%) 2.900 1.100 1.100 peak 2171 spectrum 1 weight 0.11000E+01 volume 0.26651E-02 ppm1 3.549 ppm2 1.057 CV 1 ASSI { 2172} (( segid " " and resid 210 and name HA )) (( segid " " and resid 207 and name HA )) 6.000 6.000 0.000 peak 2172 spectrum 1 weight 0.11000E+01 volume 0.82055E-04 ppm1 3.559 ppm2 4.188 CV 1 ASSI { 2173} (( segid " " and resid 210 and name HA )) (( segid " " and resid 210 and name HG1 )) 2.900 1.000 1.000 peak 2173 spectrum 1 weight 0.11000E+01 volume 0.18178E-02 ppm1 3.550 ppm2 2.163 CV 1 ASSI { 2175} (( segid " " and resid 210 and name HA )) (( segid " " and resid 213 and name HB2 )) 5.800 4.200 0.200 peak 2175 spectrum 1 weight 0.11000E+01 volume 0.16689E-03 ppm1 3.546 ppm2 2.878 CV 1 ASSI { 2176} (( segid " " and resid 210 and name HB1 )) (( segid " " and resid 206 and name HG1 )) 4.500 2.500 1.500 peak 2176 spectrum 1 weight 0.11000E+01 volume 0.14685E-02 ppm1 2.196 ppm2 2.559 CV 1 ASSI { 2177} (( segid " " and resid 210 and name HB1 )) (( segid " " and resid 207 and name HD2 )) 2.400 2.400 3.600 peak 2177 spectrum 1 weight 0.11000E+01 volume 0.86165E-03 ppm1 2.184 ppm2 3.136 CV 1 ASSI { 2178} (( segid " " and resid 210 and name HB1 )) ( segid " " and resid 208 and name HG2%) 2.300 2.300 3.700 peak 2178 spectrum 1 weight 0.11000E+01 volume 0.10155E-02 ppm1 2.195 ppm2 1.031 CV 1 ASSI { 2179} (( segid " " and resid 210 and name HB1 )) (( segid " " and resid 210 and name HA )) 3.400 3.400 2.600 peak 2179 spectrum 1 weight 0.11000E+01 volume 0.11572E-02 ppm1 2.191 ppm2 3.629 CV 1 ASSI { 2183} (( segid " " and resid 210 and name HB1 )) ( segid " " and resid 214 and name HG2%) 4.300 2.300 1.700 peak 2183 spectrum 1 weight 0.11000E+01 volume 0.76047E-03 ppm1 2.190 ppm2 0.885 CV 1 ASSI { 2184} (( segid " " and resid 210 and name HB2 )) (( segid " " and resid 206 and name HG1 )) 4.300 2.400 1.700 peak 2184 spectrum 1 weight 0.11000E+01 volume 0.11427E-02 ppm1 1.956 ppm2 2.570 CV 1 ASSI { 2185} (( segid " " and resid 210 and name HB2 )) ( segid " " and resid 209 and name HG1%) 3.900 1.900 1.900 peak 2185 spectrum 1 weight 0.11000E+01 volume 0.83177E-03 ppm1 1.955 ppm2 0.961 CV 1 ASSI { 2186} (( segid " " and resid 210 and name HB2 )) (( segid " " and resid 210 and name HB1 )) 1.900 0.400 0.400 peak 2186 spectrum 1 weight 0.11000E+01 volume 0.71844E-02 ppm1 1.968 ppm2 2.184 CV 1 ASSI { 2188} (( segid " " and resid 211 and name HA )) ( segid " " and resid 175 and name HG1%) 4.500 2.500 1.500 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.57586E-03 ppm1 3.966 ppm2 1.021 CV 1 OR { 2188} (( segid " " and resid 211 and name HA )) ( segid " " and resid 175 and name HG2%) ASSI { 2189} (( segid " " and resid 211 and name HA )) ( segid " " and resid 214 and name HD1%) 3.400 1.400 1.400 peak 2189 spectrum 1 weight 0.11000E+01 volume 0.26781E-02 ppm1 3.971 ppm2 0.839 CV 1 ASSI { 2190} (( segid " " and resid 212 and name HA )) (( segid " " and resid 212 and name HB1 )) 2.700 0.900 0.900 peak 2190 spectrum 1 weight 0.11000E+01 volume 0.26523E-02 ppm1 4.115 ppm2 2.166 CV 1 ASSI { 2191} (( segid " " and resid 212 and name HA )) ( segid " " and resid 209 and name HG1%) 4.300 2.400 1.700 peak 2191 spectrum 1 weight 0.11000E+01 volume 0.71097E-03 ppm1 4.117 ppm2 0.959 CV 1 ASSI { 2192} (( segid " " and resid 212 and name HA )) (( segid " " and resid 211 and name HG1 )) 3.300 1.400 1.400 peak 2192 spectrum 1 weight 0.11000E+01 volume 0.12172E-02 ppm1 4.110 ppm2 2.473 CV 1 ASSI { 2193} (( segid " " and resid 212 and name HA )) (( segid " " and resid 212 and name HG1 )) 3.800 1.800 1.800 peak 2193 spectrum 1 weight 0.11000E+01 volume 0.90829E-03 ppm1 4.117 ppm2 2.743 CV 1 ASSI { 2194} (( segid " " and resid 212 and name HA )) (( segid " " and resid 214 and name HB )) 3.500 1.500 1.500 peak 2194 spectrum 1 weight 0.11000E+01 volume 0.17148E-02 ppm1 4.108 ppm2 1.935 CV 1 ASSI { 2195} (( segid " " and resid 212 and name HA )) (( segid " " and resid 215 and name HB )) 2.800 1.000 1.000 peak 2195 spectrum 1 weight 0.11000E+01 volume 0.16320E-02 ppm1 4.115 ppm2 4.300 CV 1 ASSI { 2198} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 133 and name HA )) 2.900 1.000 1.000 peak 2198 spectrum 1 weight 0.11000E+01 volume 0.24125E-02 ppm1 2.181 ppm2 4.740 CV 1 ASSI { 2201} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 136 and name HD1 )) 3.500 1.600 1.600 peak 2201 spectrum 1 weight 0.11000E+01 volume 0.13577E-02 ppm1 2.181 ppm2 3.806 CV 1 ASSI { 2202} ( segid " " and resid 212 and name HE% ) ( segid " " and resid 138 and name HD1%) 1.900 1.900 4.100 peak 2202 spectrum 1 weight 0.11000E+01 volume 0.33509E-02 ppm1 2.180 ppm2 0.396 CV 1 ASSI { 2203} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 135 and name HA )) 1.800 1.800 4.200 peak 2203 spectrum 1 weight 0.11000E+01 volume 0.40614E-02 ppm1 2.180 ppm2 4.387 CV 1 ASSI { 2205} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 159 and name HA )) 4.800 2.900 1.200 peak 2205 spectrum 1 weight 0.11000E+01 volume 0.22073E-02 ppm1 2.181 ppm2 4.560 CV 1 ASSI { 2206} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 160 and name HA )) 2.600 2.600 3.400 peak 2206 spectrum 1 weight 0.11000E+01 volume 0.54854E-03 ppm1 2.183 ppm2 4.915 CV 1 ASSI { 2208} ( segid " " and resid 212 and name HE% ) ( segid " " and resid 160 and name HG2%) 2.700 0.900 0.900 peak 2208 spectrum 1 weight 0.11000E+01 volume 0.49445E-02 ppm1 2.182 ppm2 0.767 CV 1 ASSI { 2209} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 211 and name HB1 )) 2.600 2.600 3.400 peak 2209 spectrum 1 weight 0.11000E+01 volume 0.12975E-01 ppm1 2.178 ppm2 2.375 CV 1 ASSI { 2210} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 211 and name HG1 )) 2.500 2.500 3.500 peak 2210 spectrum 1 weight 0.11000E+01 volume 0.12053E-01 ppm1 2.181 ppm2 2.479 CV 1 ASSI { 2211} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 212 and name HA )) 2.600 0.800 0.800 peak 2211 spectrum 1 weight 0.11000E+01 volume 0.40930E-02 ppm1 2.181 ppm2 4.124 CV 1 ASSI { 2212} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 212 and name HG1 )) 2.900 1.100 1.100 peak 2212 spectrum 1 weight 0.11000E+01 volume 0.25900E-02 ppm1 2.180 ppm2 2.715 CV 1 ASSI { 2213} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 213 and name HB1 )) 4.100 2.100 1.900 peak 2213 spectrum 1 weight 0.11000E+01 volume 0.83247E-03 ppm1 2.180 ppm2 3.528 CV 1 ASSI { 2214} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 213 and name HB2 )) 3.400 3.400 2.600 peak 2214 spectrum 1 weight 0.11000E+01 volume 0.14236E-02 ppm1 2.180 ppm2 2.824 CV 1 ASSI { 2215} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 214 and name HB )) 6.000 4.500 0.000 peak 2215 spectrum 1 weight 0.11000E+01 volume 0.00000E+00 ppm1 2.178 ppm2 1.994 CV 1 ASSI { 2216} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 215 and name HA )) 3.700 1.700 1.700 peak 2216 spectrum 1 weight 0.11000E+01 volume 0.20900E-02 ppm1 2.182 ppm2 3.900 CV 1 ASSI { 2217} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 215 and name HB )) 2.600 0.900 0.900 peak 2217 spectrum 1 weight 0.11000E+01 volume 0.67040E-02 ppm1 2.182 ppm2 4.315 CV 1 ASSI { 2218} ( segid " " and resid 212 and name HE% ) ( segid " " and resid 215 and name HG2%) 2.000 0.500 0.500 peak 2218 spectrum 1 weight 0.11000E+01 volume 0.13913E-01 ppm1 2.181 ppm2 1.236 CV 1 ASSI { 2219} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 215 and name HN )) 3.700 1.700 1.700 peak 2219 spectrum 1 weight 0.11000E+01 volume 0.84480E-03 ppm1 2.181 ppm2 8.102 CV 1 ASSI { 2220} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 216 and name HA )) 3.200 3.200 2.800 peak 2220 spectrum 1 weight 0.11000E+01 volume 0.41113E-02 ppm1 2.181 ppm2 3.678 CV 1 ASSI { 2221} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 216 and name HG1 )) 3.200 1.300 1.300 peak 2221 spectrum 1 weight 0.11000E+01 volume 0.19358E-02 ppm1 2.178 ppm2 1.583 CV 1 ASSI { 2223} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 212 and name HG2 )) 2.700 0.900 0.900 peak 2223 spectrum 1 weight 0.11000E+01 volume 0.10418E-02 ppm1 2.735 ppm2 2.496 CV 1 ASSI { 2225} (( segid " " and resid 212 and name HG2 )) (( segid " " and resid 212 and name HA )) 3.700 1.700 1.700 peak 2225 spectrum 1 weight 0.11000E+01 volume 0.66806E-03 ppm1 2.494 ppm2 4.103 CV 1 ASSI { 2226} (( segid " " and resid 212 and name HG2 )) (( segid " " and resid 212 and name HB1 )) 3.000 1.100 1.100 peak 2226 spectrum 1 weight 0.11000E+01 volume 0.17812E-02 ppm1 2.488 ppm2 2.189 CV 1 ASSI { 2231} (( segid " " and resid 213 and name HA )) ( segid " " and resid 209 and name HG1%) 3.700 1.700 1.700 peak 2231 spectrum 1 weight 0.11000E+01 volume 0.10566E-02 ppm1 4.362 ppm2 0.977 CV 1 ASSI { 2232} (( segid " " and resid 213 and name HA )) (( segid " " and resid 213 and name HB1 )) 3.300 1.300 1.300 peak 2232 spectrum 1 weight 0.11000E+01 volume 0.83981E-03 ppm1 4.366 ppm2 3.566 CV 1 ASSI { 2233} (( segid " " and resid 213 and name HA )) (( segid " " and resid 213 and name HB2 )) 3.000 1.100 1.100 peak 2233 spectrum 1 weight 0.11000E+01 volume 0.10154E-02 ppm1 4.371 ppm2 2.872 CV 1 ASSI { 2234} (( segid " " and resid 213 and name HA )) (( segid " " and resid 216 and name HB1 )) 4.800 2.900 1.200 peak 2234 spectrum 1 weight 0.11000E+01 volume 0.55588E-03 ppm1 4.366 ppm2 2.243 CV 1 ASSI { 2235} (( segid " " and resid 213 and name HA )) (( segid " " and resid 216 and name HN )) 4.000 2.000 2.000 peak 2235 spectrum 1 weight 0.11000E+01 volume 0.47626E-03 ppm1 4.366 ppm2 8.732 CV 1 ASSI { 2236} (( segid " " and resid 213 and name HB1 )) ( segid " " and resid 179 and name HG1%) 2.400 2.400 3.600 peak 2236 spectrum 1 weight 0.11000E+01 volume 0.89320E-03 ppm1 3.554 ppm2 1.037 CV 1 ASSI { 2238} (( segid " " and resid 213 and name HB2 )) ( segid " " and resid 179 and name HG1%) 2.400 2.400 3.600 peak 2238 spectrum 1 weight 0.11000E+01 volume 0.91565E-03 ppm1 2.857 ppm2 1.031 CV 1 ASSI { 2239} (( segid " " and resid 213 and name HB2 )) (( segid " " and resid 213 and name HB1 )) 2.500 0.800 0.800 peak 2239 spectrum 1 weight 0.11000E+01 volume 0.91099E-03 ppm1 2.857 ppm2 3.549 CV 1 ASSI { 2242} (( segid " " and resid 214 and name HA )) (( segid " " and resid 214 and name HB )) 3.000 1.100 1.100 peak 2242 spectrum 1 weight 0.11000E+01 volume 0.13775E-02 ppm1 3.475 ppm2 1.980 CV 1 ASSI { 2243} (( segid " " and resid 214 and name HA )) ( segid " " and resid 214 and name HD1%) 2.400 0.700 0.700 peak 2243 spectrum 1 weight 0.11000E+01 volume 0.28666E-02 ppm1 3.472 ppm2 0.846 CV 1 ASSI { 2244} (( segid " " and resid 214 and name HA )) (( segid " " and resid 217 and name HA )) 4.100 2.100 1.900 peak 2244 spectrum 1 weight 0.11000E+01 volume 0.74583E-03 ppm1 3.472 ppm2 2.965 CV 1 ASSI { 2245} (( segid " " and resid 214 and name HA )) (( segid " " and resid 218 and name HG1 )) 4.500 4.500 1.500 peak 2245 spectrum 1 weight 0.11000E+01 volume 0.48786E-03 ppm1 3.472 ppm2 2.675 CV 1 ASSI { 2247} (( segid " " and resid 214 and name HB )) (( segid " " and resid 211 and name HA )) 3.000 1.200 1.200 peak 2247 spectrum 1 weight 0.11000E+01 volume 0.70664E-03 ppm1 1.960 ppm2 3.969 CV 1 ASSI { 2249} ( segid " " and resid 214 and name HD1%) (( segid " " and resid 172 and name HN )) 3.600 1.600 1.600 peak 2249 spectrum 1 weight 0.11000E+01 volume 0.19944E-02 ppm1 0.828 ppm2 8.408 CV 1 ASSI { 2250} ( segid " " and resid 214 and name HD1%) ( segid " " and resid 175 and name HG1%) 2.200 0.600 0.600 peak 2250 spectrum 1 weight 0.11000E+01 volume 0.64849E-02 ppm1 0.827 ppm2 1.026 CV 1 ASSI { 2251} ( segid " " and resid 214 and name HD1%) (( segid " " and resid 210 and name HB1 )) 2.900 2.900 3.100 peak 2251 spectrum 1 weight 0.11000E+01 volume 0.48242E-02 ppm1 0.829 ppm2 2.124 CV 1 ASSI { 2252} ( segid " " and resid 214 and name HD1%) (( segid " " and resid 210 and name HN )) 2.500 2.500 3.500 peak 2252 spectrum 1 weight 0.11000E+01 volume 0.71698E-03 ppm1 0.833 ppm2 8.135 CV 1 ASSI { 2254} ( segid " " and resid 214 and name HD1%) (( segid " " and resid 211 and name HB1 )) 4.500 2.500 1.500 peak 2254 spectrum 1 weight 0.11000E+01 volume 0.77127E-03 ppm1 0.831 ppm2 2.395 CV 1 ASSI { 2256} ( segid " " and resid 214 and name HD1%) (( segid " " and resid 214 and name HB )) 2.100 0.600 0.600 peak 2256 spectrum 1 weight 0.11000E+01 volume 0.93415E-02 ppm1 0.828 ppm2 1.988 CV 1 ASSI { 2257} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 202 and name HG12)) 2.900 1.000 1.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.38538E-02 ppm1 0.842 ppm2 1.291 CV 1 ASSI { 2258} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 172 and name HN )) 4.000 2.000 2.000 peak 2258 spectrum 1 weight 0.11000E+01 volume 0.15575E-02 ppm1 0.862 ppm2 8.401 CV 1 ASSI { 2259} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 211 and name HA )) 3.200 1.300 1.300 peak 2259 spectrum 1 weight 0.11000E+01 volume 0.16679E-02 ppm1 0.864 ppm2 3.960 CV 1 ASSI { 2260} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 211 and name HG1 )) 3.300 1.400 1.400 peak 2260 spectrum 1 weight 0.11000E+01 volume 0.10931E-02 ppm1 0.863 ppm2 2.486 CV 1 ASSI { 2261} ( segid " " and resid 214 and name HG2%) ( segid " " and resid 212 and name HE% ) 4.000 2.000 2.000 peak 2261 spectrum 1 weight 0.11000E+01 volume 0.13543E-02 ppm1 0.865 ppm2 2.174 CV 1 ASSI { 2262} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 214 and name HA )) 2.900 1.000 1.000 peak 2262 spectrum 1 weight 0.11000E+01 volume 0.31604E-02 ppm1 0.860 ppm2 3.473 CV 1 ASSI { 2263} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 214 and name HB )) 2.300 0.600 0.600 peak 2263 spectrum 1 weight 0.11000E+01 volume 0.68827E-02 ppm1 0.865 ppm2 1.959 CV 1 ASSI { 2264} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 215 and name HN )) 3.200 1.300 1.300 peak 2264 spectrum 1 weight 0.11000E+01 volume 0.93255E-03 ppm1 0.861 ppm2 8.104 CV 1 ASSI { 2266} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 216 and name HG1 )) 4.900 4.900 1.100 peak 2266 spectrum 1 weight 0.11000E+01 volume 0.59787E-03 ppm1 0.866 ppm2 1.588 CV 1 ASSI { 2267} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 217 and name HA )) 4.500 2.500 1.500 peak 2267 spectrum 1 weight 0.11000E+01 volume 0.70403E-03 ppm1 0.862 ppm2 2.938 CV 1 ASSI { 2268} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 218 and name HB1 )) 3.700 3.700 2.300 peak 2268 spectrum 1 weight 0.11000E+01 volume 0.10931E-02 ppm1 0.863 ppm2 2.486 CV 1 ASSI { 2269} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 218 and name HG1 )) 3.700 1.700 1.700 peak 2269 spectrum 1 weight 0.11000E+01 volume 0.14586E-02 ppm1 0.861 ppm2 2.705 CV 1 ASSI { 2272} (( segid " " and resid 215 and name HA )) (( segid " " and resid 218 and name HB2 )) 4.300 2.300 1.700 peak 2272 spectrum 1 weight 0.11000E+01 volume 0.14181E-02 ppm1 3.875 ppm2 2.024 CV 1 ASSI { 2281} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 133 and name HA )) 4.300 2.400 1.700 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.44321E-03 ppm1 1.235 ppm2 4.770 CV 1 ASSI { 2284} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 211 and name HB1 )) 2.000 2.000 4.000 peak 2284 spectrum 1 weight 0.11000E+01 volume 0.22449E-02 ppm1 1.237 ppm2 2.379 CV 1 ASSI { 2285} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 211 and name HG1 )) 2.000 2.000 4.000 peak 2285 spectrum 1 weight 0.11000E+01 volume 0.23518E-02 ppm1 1.236 ppm2 2.449 CV 1 ASSI { 2286} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 212 and name HA )) 3.200 1.300 1.300 peak 2286 spectrum 1 weight 0.11000E+01 volume 0.18616E-02 ppm1 1.237 ppm2 4.099 CV 1 ASSI { 2288} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 212 and name HG1 )) 4.300 2.300 1.700 peak 2288 spectrum 1 weight 0.11000E+01 volume 0.46490E-03 ppm1 1.236 ppm2 2.734 CV 1 ASSI { 2289} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 215 and name HA )) 2.800 1.000 1.000 peak 2289 spectrum 1 weight 0.11000E+01 volume 0.46415E-02 ppm1 1.238 ppm2 3.893 CV 1 ASSI { 2290} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 215 and name HB )) 2.300 0.600 0.600 peak 2290 spectrum 1 weight 0.11000E+01 volume 0.57581E-02 ppm1 1.237 ppm2 4.294 CV 1 ASSI { 2291} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 216 and name HA )) 3.900 1.900 1.900 peak 2291 spectrum 1 weight 0.11000E+01 volume 0.11205E-02 ppm1 1.240 ppm2 3.689 CV 1 ASSI { 2292} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 216 and name HN )) 2.800 1.000 1.000 peak 2292 spectrum 1 weight 0.11000E+01 volume 0.12298E-02 ppm1 1.235 ppm2 8.736 CV 1 ASSI { 2293} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 218 and name HB1 )) 3.800 3.800 2.200 peak 2293 spectrum 1 weight 0.11000E+01 volume 0.23518E-02 ppm1 1.236 ppm2 2.449 CV 1 ASSI { 2294} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 218 and name HB2 )) 4.100 4.100 1.900 peak 2294 spectrum 1 weight 0.11000E+01 volume 0.13472E-02 ppm1 1.234 ppm2 2.008 CV 1 ASSI { 2296} (( segid " " and resid 216 and name HA )) (( segid " " and resid 216 and name HB1 )) 2.500 0.800 0.800 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.13603E-02 ppm1 3.682 ppm2 2.277 CV 1 ASSI { 2299} (( segid " " and resid 216 and name HA )) (( segid " " and resid 216 and name HG1 )) 3.800 1.800 1.800 peak 2299 spectrum 1 weight 0.11000E+01 volume 0.81699E-03 ppm1 3.678 ppm2 1.600 CV 1 ASSI { 2301} (( segid " " and resid 216 and name HA )) (( segid " " and resid 219 and name HG2 )) 2.300 0.600 0.600 peak 2301 spectrum 1 weight 0.11000E+01 volume 0.11359E-02 ppm1 3.682 ppm2 2.423 CV 1 ASSI { 2302} (( segid " " and resid 216 and name HA )) (( segid " " and resid 220 and name HB1 )) 3.000 1.200 1.200 peak 2302 spectrum 1 weight 0.11000E+01 volume 0.28692E-02 ppm1 3.681 ppm2 2.119 CV 1 ASSI { 2305} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HD1 )) 2.800 1.000 1.000 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.20097E-02 ppm1 1.678 ppm2 3.267 CV 1 ASSI { 2306} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HB1 )) 2.200 0.600 0.600 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.66473E-02 ppm1 1.674 ppm2 1.919 CV 1 ASSI { 2307} (( segid " " and resid 216 and name HB2 )) (( segid " " and resid 216 and name HA )) 3.200 1.200 1.200 peak 2307 spectrum 1 weight 0.11000E+01 volume 0.99157E-03 ppm1 1.672 ppm2 3.679 CV 1 ASSI { 2308} (( segid " " and resid 217 and name HA )) (( segid " " and resid 171 and name HN )) 3.600 1.600 1.600 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.70205E-03 ppm1 2.930 ppm2 8.556 CV 1 ASSI { 2310} (( segid " " and resid 217 and name HA )) (( segid " " and resid 168 and name HN )) 4.800 2.900 1.200 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.32999E-03 ppm1 2.943 ppm2 7.893 CV 1 ASSI { 2311} (( segid " " and resid 217 and name HA )) ( segid " " and resid 165 and name HG1%) 3.700 1.700 1.700 peak 2311 spectrum 1 weight 0.11000E+01 volume 0.87215E-03 ppm1 2.931 ppm2 0.857 CV 1 ASSI { 2313} (( segid " " and resid 217 and name HA )) (( segid " " and resid 216 and name HB2 )) 4.600 2.600 1.400 peak 2313 spectrum 1 weight 0.11000E+01 volume 0.28995E-03 ppm1 2.939 ppm2 1.686 CV 1 ASSI { 2314} (( segid " " and resid 217 and name HA )) (( segid " " and resid 217 and name HB2 )) 3.100 1.200 1.200 peak 2314 spectrum 1 weight 0.11000E+01 volume 0.78238E-03 ppm1 2.934 ppm2 2.136 CV 1 ASSI { 2315} (( segid " " and resid 217 and name HA )) ( segid " " and resid 217 and name HD% ) 3.500 1.600 1.600 peak 2315 spectrum 1 weight 0.11000E+01 volume 0.88706E-03 ppm1 2.933 ppm2 6.146 CV 1 ASSI { 2316} (( segid " " and resid 217 and name HA )) (( segid " " and resid 218 and name HG1 )) 4.100 2.100 1.900 peak 2316 spectrum 1 weight 0.11000E+01 volume 0.11287E-02 ppm1 2.941 ppm2 2.671 CV 1 ASSI { 2317} (( segid " " and resid 217 and name HA )) (( segid " " and resid 220 and name HG2 )) 4.700 2.800 1.300 peak 2317 spectrum 1 weight 0.11000E+01 volume 0.38456E-03 ppm1 2.934 ppm2 2.408 CV 1 ASSI { 2319} (( segid " " and resid 218 and name HA )) (( segid " " and resid 218 and name HB1 )) 2.900 2.900 3.100 peak 2319 spectrum 1 weight 0.11000E+01 volume 0.20556E-02 ppm1 3.749 ppm2 2.476 CV 1 ASSI { 2320} (( segid " " and resid 218 and name HA )) (( segid " " and resid 219 and name HB1 )) 3.400 3.400 2.600 peak 2320 spectrum 1 weight 0.11000E+01 volume 0.22569E-02 ppm1 3.746 ppm2 2.082 CV 1 ASSI { 2322} (( segid " " and resid 218 and name HA )) (( segid " " and resid 221 and name HB1 )) 3.100 1.200 1.200 peak 2322 spectrum 1 weight 0.11000E+01 volume 0.15111E-02 ppm1 3.747 ppm2 3.606 CV 1 ASSI { 2323} (( segid " " and resid 218 and name HA )) (( segid " " and resid 221 and name HB2 )) 3.900 1.900 1.900 peak 2323 spectrum 1 weight 0.11000E+01 volume 0.67891E-03 ppm1 3.748 ppm2 3.371 CV 1 ASSI { 2324} (( segid " " and resid 218 and name HB1 )) (( segid " " and resid 215 and name HA )) 4.700 4.700 1.300 peak 2324 spectrum 1 weight 0.11000E+01 volume 0.49017E-03 ppm1 2.336 ppm2 3.879 CV 1 ASSI { 2326} (( segid " " and resid 218 and name HB1 )) (( segid " " and resid 218 and name HG1 )) 3.600 3.600 2.400 peak 2326 spectrum 1 weight 0.11000E+01 volume 0.97066E-03 ppm1 2.337 ppm2 2.711 CV 1 ASSI { 2327} (( segid " " and resid 218 and name HB2 )) (( segid " " and resid 218 and name HA )) 3.100 1.200 1.200 peak 2327 spectrum 1 weight 0.11000E+01 volume 0.13852E-02 ppm1 2.091 ppm2 3.734 CV 1 ASSI { 2328} (( segid " " and resid 218 and name HB2 )) (( segid " " and resid 218 and name HG1 )) 3.300 1.400 1.400 peak 2328 spectrum 1 weight 0.11000E+01 volume 0.10291E-02 ppm1 2.090 ppm2 2.702 CV 1 ASSI { 2333} (( segid " " and resid 219 and name HA )) (( segid " " and resid 216 and name HB1 )) 3.700 3.700 2.300 peak 2333 spectrum 1 weight 0.11000E+01 volume 0.27002E-02 ppm1 4.000 ppm2 2.370 CV 1 ASSI { 2334} (( segid " " and resid 219 and name HA )) (( segid " " and resid 216 and name HN )) 6.000 6.000 0.000 peak 2334 spectrum 1 weight 0.11000E+01 volume 0.22957E-03 ppm1 3.995 ppm2 8.711 CV 1 ASSI { 2336} (( segid " " and resid 219 and name HA )) (( segid " " and resid 220 and name HB1 )) 3.000 3.000 3.000 peak 2336 spectrum 1 weight 0.11000E+01 volume 0.74724E-02 ppm1 4.001 ppm2 2.123 CV 1 ASSI { 2337} (( segid " " and resid 219 and name HA )) (( segid " " and resid 221 and name HN )) 4.100 2.100 1.900 peak 2337 spectrum 1 weight 0.11000E+01 volume 0.41511E-03 ppm1 3.989 ppm2 8.399 CV 1 ASSI { 2339} (( segid " " and resid 219 and name HG1 )) ( segid " " and resid 214 and name HG2%) 2.600 2.600 3.400 peak 2339 spectrum 1 weight 0.11000E+01 volume 0.49363E-03 ppm1 2.366 ppm2 0.859 CV 1 ASSI { 2340} (( segid " " and resid 219 and name HG1 )) ( segid " " and resid 215 and name HG2%) 4.400 2.400 1.600 peak 2340 spectrum 1 weight 0.11000E+01 volume 0.11290E-02 ppm1 2.350 ppm2 1.236 CV 1 ASSI { 2341} (( segid " " and resid 219 and name HG1 )) (( segid " " and resid 216 and name HN )) 4.700 2.700 1.300 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.86437E-03 ppm1 2.356 ppm2 8.745 CV 1 ASSI { 2342} (( segid " " and resid 219 and name HG1 )) (( segid " " and resid 218 and name HG1 )) 4.500 2.500 1.500 peak 2342 spectrum 1 weight 0.11000E+01 volume 0.77342E-03 ppm1 2.368 ppm2 2.678 CV 1 ASSI { 2343} (( segid " " and resid 219 and name HG1 )) (( segid " " and resid 219 and name HA )) 3.100 1.200 1.200 peak 2343 spectrum 1 weight 0.11000E+01 volume 0.19797E-02 ppm1 2.354 ppm2 4.001 CV 1 ASSI { 2344} (( segid " " and resid 219 and name HG1 )) (( segid " " and resid 220 and name HB1 )) 2.900 2.900 3.100 peak 2344 spectrum 1 weight 0.11000E+01 volume 0.75017E-02 ppm1 2.352 ppm2 2.120 CV 1 ASSI { 2345} (( segid " " and resid 219 and name HG1 )) (( segid " " and resid 220 and name HB2 )) 3.700 1.700 1.700 peak 2345 spectrum 1 weight 0.11000E+01 volume 0.71558E-03 ppm1 2.369 ppm2 1.741 CV 1 ASSI { 2346} (( segid " " and resid 219 and name HG1 )) (( segid " " and resid 222 and name HB1 )) 2.600 2.600 3.400 peak 2346 spectrum 1 weight 0.11000E+01 volume 0.75017E-02 ppm1 2.352 ppm2 2.120 CV 1 ASSI { 2347} (( segid " " and resid 219 and name HG2 )) ( segid " " and resid 215 and name HG2%) 2.700 0.900 0.900 peak 2347 spectrum 1 weight 0.11000E+01 volume 0.12739E-02 ppm1 2.466 ppm2 1.233 CV 1 ASSI { 2348} (( segid " " and resid 219 and name HG2 )) (( segid " " and resid 216 and name HN )) 3.400 1.400 1.400 peak 2348 spectrum 1 weight 0.11000E+01 volume 0.77653E-03 ppm1 2.454 ppm2 8.748 CV 1 ASSI { 2349} (( segid " " and resid 219 and name HG2 )) (( segid " " and resid 218 and name HG1 )) 3.100 3.100 2.900 peak 2349 spectrum 1 weight 0.11000E+01 volume 0.34004E-02 ppm1 2.454 ppm2 2.678 CV 1 ASSI { 2350} (( segid " " and resid 219 and name HG2 )) (( segid " " and resid 219 and name HA )) 3.500 1.500 1.500 peak 2350 spectrum 1 weight 0.11000E+01 volume 0.26448E-02 ppm1 2.472 ppm2 4.005 CV 1 ASSI { 2351} (( segid " " and resid 219 and name HG2 )) (( segid " " and resid 220 and name HB1 )) 3.100 3.100 2.900 peak 2351 spectrum 1 weight 0.11000E+01 volume 0.11632E-01 ppm1 2.456 ppm2 2.130 CV 1 ASSI { 2353} (( segid " " and resid 220 and name HA )) (( segid " " and resid 167 and name HB1 )) 2.900 2.900 3.100 peak 2353 spectrum 1 weight 0.11000E+01 volume 0.64603E-02 ppm1 4.093 ppm2 1.887 CV 1 ASSI { 2354} (( segid " " and resid 220 and name HA )) (( segid " " and resid 216 and name HA )) 4.000 2.000 2.000 peak 2354 spectrum 1 weight 0.11000E+01 volume 0.46668E-03 ppm1 4.086 ppm2 3.689 CV 1 ASSI { 2355} (( segid " " and resid 220 and name HA )) (( segid " " and resid 216 and name HB2 )) 4.200 2.300 1.800 peak 2355 spectrum 1 weight 0.11000E+01 volume 0.18481E-02 ppm1 4.082 ppm2 1.707 CV 1 ASSI { 2356} (( segid " " and resid 220 and name HA )) (( segid " " and resid 219 and name HG2 )) 3.400 1.500 1.500 peak 2356 spectrum 1 weight 0.11000E+01 volume 0.27551E-02 ppm1 4.088 ppm2 2.408 CV 1 ASSI { 2357} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HG1 )) 2.400 0.700 0.700 peak 2357 spectrum 1 weight 0.11000E+01 volume 0.50940E-02 ppm1 4.085 ppm2 2.177 CV 1 ASSI { 2358} (( segid " " and resid 220 and name HA )) ( segid " " and resid 223 and name HB% ) 2.700 0.900 0.900 peak 2358 spectrum 1 weight 0.11000E+01 volume 0.30205E-02 ppm1 4.084 ppm2 1.498 CV 1 ASSI { 2361} (( segid " " and resid 220 and name HB1 )) (( segid " " and resid 220 and name HA )) 3.300 1.400 1.400 peak 2361 spectrum 1 weight 0.11000E+01 volume 0.10267E-02 ppm1 2.134 ppm2 4.085 CV 1 ASSI { 2362} (( segid " " and resid 220 and name HB1 )) (( segid " " and resid 220 and name HB2 )) 2.200 0.600 0.600 peak 2362 spectrum 1 weight 0.11000E+01 volume 0.19190E-02 ppm1 2.126 ppm2 1.700 CV 1 ASSI { 2363} (( segid " " and resid 220 and name HB2 )) ( segid " " and resid 165 and name HG1%) 3.400 1.500 1.500 peak 2363 spectrum 1 weight 0.11000E+01 volume 0.11246E-02 ppm1 1.695 ppm2 0.872 CV 1 ASSI { 2365} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 220 and name HA )) 3.000 1.100 1.100 peak 2365 spectrum 1 weight 0.11000E+01 volume 0.76187E-03 ppm1 1.700 ppm2 4.082 CV 1 ASSI { 2366} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 222 and name HB1 )) 3.600 3.600 2.400 peak 2366 spectrum 1 weight 0.11000E+01 volume 0.24173E-02 ppm1 1.703 ppm2 2.140 CV 1 ASSI { 2370} (( segid " " and resid 220 and name HG1 )) ( segid " " and resid 165 and name HG2%) 4.000 2.000 2.000 peak 2370 spectrum 1 weight 0.11000E+01 volume 0.50084E-03 ppm1 2.199 ppm2 0.845 CV 1 ASSI { 2371} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 167 and name HB2 )) 3.900 3.900 2.100 peak 2371 spectrum 1 weight 0.11000E+01 volume 0.12956E-02 ppm1 2.201 ppm2 1.715 CV 1 ASSI { 2373} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 220 and name HG2 )) 1.800 0.400 0.400 peak 2373 spectrum 1 weight 0.11000E+01 volume 0.89021E-02 ppm1 2.200 ppm2 2.404 CV 1 ASSI { 2374} (( segid " " and resid 220 and name HG1 )) ( segid " " and resid 223 and name HB% ) 4.700 2.700 1.300 peak 2374 spectrum 1 weight 0.11000E+01 volume 0.43228E-03 ppm1 2.201 ppm2 1.500 CV 1 ASSI { 2375} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 224 and name HN )) 4.100 2.100 1.900 peak 2375 spectrum 1 weight 0.11000E+01 volume 0.26183E-03 ppm1 2.200 ppm2 7.989 CV 1 ASSI { 2377} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 227 and name HD1 )) 5.300 3.600 0.700 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.17358E-03 ppm1 2.426 ppm2 3.240 CV 1 ASSI { 2380} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 216 and name HB2 )) 4.100 2.100 1.900 peak 2380 spectrum 1 weight 0.11000E+01 volume 0.13917E-02 ppm1 2.423 ppm2 1.696 CV 1 ASSI { 2383} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 220 and name HA )) 3.200 1.300 1.300 peak 2383 spectrum 1 weight 0.11000E+01 volume 0.18012E-02 ppm1 2.417 ppm2 4.080 CV 1 ASSI { 2385} (( segid " " and resid 220 and name HG2 )) ( segid " " and resid 223 and name HB% ) 4.500 2.500 1.500 peak 2385 spectrum 1 weight 0.11000E+01 volume 0.71797E-03 ppm1 2.423 ppm2 1.520 CV 1 ASSI { 2386} (( segid " " and resid 221 and name HA )) ( segid " " and resid 165 and name HG1%) 3.400 1.500 1.500 peak 2386 spectrum 1 weight 0.11000E+01 volume 0.14032E-02 ppm1 3.956 ppm2 0.844 CV 1 ASSI { 2387} (( segid " " and resid 221 and name HA )) (( segid " " and resid 218 and name HA )) 3.900 1.900 1.900 peak 2387 spectrum 1 weight 0.11000E+01 volume 0.10964E-02 ppm1 3.954 ppm2 3.757 CV 1 ASSI { 2389} (( segid " " and resid 221 and name HA )) (( segid " " and resid 221 and name HB2 )) 2.800 0.900 0.900 peak 2389 spectrum 1 weight 0.11000E+01 volume 0.24905E-02 ppm1 3.955 ppm2 3.377 CV 1 ASSI { 2390} (( segid " " and resid 221 and name HA )) ( segid " " and resid 224 and name HB% ) 2.900 1.100 1.100 peak 2390 spectrum 1 weight 0.11000E+01 volume 0.17040E-02 ppm1 3.957 ppm2 1.458 CV 1 ASSI { 2392} (( segid " " and resid 221 and name HB1 )) (( segid " " and resid 221 and name HA )) 2.700 0.900 0.900 peak 2392 spectrum 1 weight 0.11000E+01 volume 0.30378E-02 ppm1 3.572 ppm2 3.961 CV 1 ASSI { 2393} (( segid " " and resid 221 and name HB1 )) (( segid " " and resid 221 and name HB2 )) 1.900 0.500 0.500 peak 2393 spectrum 1 weight 0.11000E+01 volume 0.80491E-02 ppm1 3.571 ppm2 3.370 CV 1 ASSI { 2394} (( segid " " and resid 221 and name HB2 )) ( segid " " and resid 165 and name HG1%) 4.300 2.300 1.700 peak 2394 spectrum 1 weight 0.11000E+01 volume 0.66596E-03 ppm1 3.373 ppm2 0.842 CV 1 ASSI { 2397} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HG1 )) 3.500 1.600 1.600 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.16292E-02 ppm1 4.177 ppm2 1.759 CV 1 ASSI { 2399} (( segid " " and resid 222 and name HA )) (( segid " " and resid 222 and name HB1 )) 2.400 0.700 0.700 peak 2399 spectrum 1 weight 0.11000E+01 volume 0.81626E-02 ppm1 4.173 ppm2 2.140 CV 1 ASSI { 2400} (( segid " " and resid 222 and name HA )) (( segid " " and resid 221 and name HB1 )) 4.200 2.200 1.800 peak 2400 spectrum 1 weight 0.11000E+01 volume 0.61817E-03 ppm1 4.173 ppm2 3.567 CV 1 ASSI { 2402} (( segid " " and resid 222 and name HA )) ( segid " " and resid 223 and name HB% ) 4.700 2.800 1.300 peak 2402 spectrum 1 weight 0.11000E+01 volume 0.59568E-03 ppm1 4.173 ppm2 1.520 CV 1 ASSI { 2404} (( segid " " and resid 222 and name HA )) (( segid " " and resid 225 and name HB1 )) 2.400 0.700 0.700 peak 2404 spectrum 1 weight 0.11000E+01 volume 0.43827E-02 ppm1 4.173 ppm2 3.186 CV 1 ASSI { 2405} (( segid " " and resid 222 and name HA )) ( segid " " and resid 225 and name HD% ) 3.900 1.900 1.900 peak 2405 spectrum 1 weight 0.11000E+01 volume 0.53308E-03 ppm1 4.170 ppm2 7.152 CV 1 ASSI { 2406} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HB1 )) 2.800 1.000 1.000 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.23656E-02 ppm1 4.173 ppm2 1.906 CV 1 ASSI { 2408} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HB1 )) 4.700 4.700 1.300 peak 2408 spectrum 1 weight 0.11000E+01 volume 0.53583E-03 ppm1 2.155 ppm2 3.422 CV 1 OR { 2408} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HB2 )) ASSI { 2409} (( segid " " and resid 226 and name HB1 )) (( segid " " and resid 227 and name HG2 )) 3.900 1.900 1.900 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.12508E-02 ppm1 2.165 ppm2 1.842 CV 1 OR { 2409} (( segid " " and resid 226 and name HB1 )) (( segid " " and resid 227 and name HB2 )) ASSI { 2410} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HA )) 3.900 1.900 1.900 peak 2410 spectrum 1 weight 0.11000E+01 volume 0.68869E-03 ppm1 2.141 ppm2 4.591 CV 1 ASSI { 2412} (( segid " " and resid 222 and name HB1 )) (( segid " " and resid 221 and name HA )) 3.100 3.100 2.900 peak 2412 spectrum 1 weight 0.11000E+01 volume 0.40286E-02 ppm1 2.156 ppm2 3.943 CV 1 ASSI { 2417} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 218 and name HG1 )) 1.600 1.600 4.400 peak 2417 spectrum 1 weight 0.11000E+01 volume 0.92290E-02 ppm1 2.490 ppm2 2.697 CV 1 ASSI { 2418} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 219 and name HA )) 2.900 1.000 1.000 peak 2418 spectrum 1 weight 0.11000E+01 volume 0.38511E-02 ppm1 2.490 ppm2 3.967 CV 1 ASSI { 2419} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 220 and name HB2 )) 4.300 4.300 1.700 peak 2419 spectrum 1 weight 0.11000E+01 volume 0.72794E-03 ppm1 2.485 ppm2 1.779 CV 1 ASSI { 2420} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 221 and name HA )) 3.100 3.100 2.900 peak 2420 spectrum 1 weight 0.11000E+01 volume 0.38511E-02 ppm1 2.490 ppm2 3.967 CV 1 ASSI { 2421} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 222 and name HA )) 2.900 1.100 1.100 peak 2421 spectrum 1 weight 0.11000E+01 volume 0.35456E-02 ppm1 2.493 ppm2 4.184 CV 1 ASSI { 2422} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 222 and name HB1 )) 2.200 0.600 0.600 peak 2422 spectrum 1 weight 0.11000E+01 volume 0.22471E-01 ppm1 2.488 ppm2 2.160 CV 1 ASSI { 2423} (( segid " " and resid 222 and name HG1 )) ( segid " " and resid 223 and name HB% ) 3.700 1.700 1.700 peak 2423 spectrum 1 weight 0.11000E+01 volume 0.10428E-02 ppm1 2.485 ppm2 1.505 CV 1 ASSI { 2425} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 225 and name HB1 )) 3.700 3.700 2.300 peak 2425 spectrum 1 weight 0.11000E+01 volume 0.10630E-02 ppm1 2.490 ppm2 3.186 CV 1 ASSI { 2427} (( segid " " and resid 222 and name HG2 )) (( segid " " and resid 219 and name HA )) 3.000 1.100 1.100 peak 2427 spectrum 1 weight 0.11000E+01 volume 0.13139E-02 ppm1 2.432 ppm2 3.987 CV 1 ASSI { 2428} (( segid " " and resid 222 and name HG2 )) (( segid " " and resid 221 and name HA )) 3.700 3.700 2.300 peak 2428 spectrum 1 weight 0.11000E+01 volume 0.14106E-02 ppm1 2.432 ppm2 3.967 CV 1 ASSI { 2429} (( segid " " and resid 222 and name HG2 )) (( segid " " and resid 222 and name HA )) 3.500 1.500 1.500 peak 2429 spectrum 1 weight 0.11000E+01 volume 0.18040E-02 ppm1 2.432 ppm2 4.171 CV 1 ASSI { 2431} (( segid " " and resid 222 and name HG2 )) (( segid " " and resid 225 and name HB1 )) 4.400 2.400 1.600 peak 2431 spectrum 1 weight 0.11000E+01 volume 0.57335E-03 ppm1 2.432 ppm2 3.184 CV 1 ASSI { 2433} (( segid " " and resid 223 and name HA )) (( segid " " and resid 226 and name HB1 )) 2.400 0.700 0.700 peak 2433 spectrum 1 weight 0.11000E+01 volume 0.34233E-02 ppm1 4.190 ppm2 2.175 CV 1 ASSI { 2434} (( segid " " and resid 223 and name HA )) (( segid " " and resid 226 and name HG1 )) 4.000 2.000 2.000 peak 2434 spectrum 1 weight 0.11000E+01 volume 0.11980E-02 ppm1 4.198 ppm2 2.489 CV 1 ASSI { 2439} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 223 and name HA )) 2.100 0.500 0.500 peak 2439 spectrum 1 weight 0.11000E+01 volume 0.13637E-01 ppm1 1.499 ppm2 4.184 CV 1 ASSI { 2441} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 224 and name HA )) 2.700 2.700 3.300 peak 2441 spectrum 1 weight 0.11000E+01 volume 0.62173E-02 ppm1 1.494 ppm2 4.065 CV 1 ASSI { 2442} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 224 and name HN )) 3.500 1.500 1.500 peak 2442 spectrum 1 weight 0.11000E+01 volume 0.63308E-03 ppm1 1.500 ppm2 8.024 CV 1 ASSI { 2443} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 225 and name HB1 )) 4.800 2.900 1.200 peak 2443 spectrum 1 weight 0.11000E+01 volume 0.49533E-03 ppm1 1.502 ppm2 3.199 CV 1 ASSI { 2444} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 226 and name HB1 )) 3.600 1.600 1.600 peak 2444 spectrum 1 weight 0.11000E+01 volume 0.28664E-02 ppm1 1.499 ppm2 2.153 CV 1 ASSI { 2445} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 226 and name HG2 )) 3.900 1.900 1.900 peak 2445 spectrum 1 weight 0.11000E+01 volume 0.83776E-03 ppm1 1.493 ppm2 2.443 CV 1 ASSI { 2446} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 227 and name HA )) 3.200 3.200 2.800 peak 2446 spectrum 1 weight 0.11000E+01 volume 0.61395E-02 ppm1 1.496 ppm2 4.085 CV 1 ASSI { 2447} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 227 and name HB2 )) 4.100 2.100 1.900 peak 2447 spectrum 1 weight 0.11000E+01 volume 0.13899E-02 ppm1 1.496 ppm2 1.798 CV 1 ASSI { 2449} (( segid " " and resid 224 and name HA )) (( segid " " and resid 220 and name HB1 )) 5.600 5.600 0.400 peak 2449 spectrum 1 weight 0.11000E+01 volume 0.22504E-03 ppm1 4.057 ppm2 2.145 CV 1 ASSI { 2450} (( segid " " and resid 224 and name HA )) ( segid " " and resid 224 and name HB% ) 2.100 2.100 3.900 peak 2450 spectrum 1 weight 0.11000E+01 volume 0.84092E-02 ppm1 4.055 ppm2 1.458 CV 1 ASSI { 2451} (( segid " " and resid 224 and name HA )) (( segid " " and resid 224 and name HN )) 3.400 3.400 2.600 peak 2451 spectrum 1 weight 0.11000E+01 volume 0.45965E-03 ppm1 4.059 ppm2 8.034 CV 1 ASSI { 2452} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HB1 )) 4.000 4.000 2.000 peak 2452 spectrum 1 weight 0.11000E+01 volume 0.20087E-02 ppm1 4.056 ppm2 1.925 CV 1 ASSI { 2453} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HB2 )) 4.200 4.200 1.800 peak 2453 spectrum 1 weight 0.11000E+01 volume 0.22907E-02 ppm1 4.058 ppm2 1.853 CV 1 ASSI { 2454} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HD1 )) 3.900 3.900 2.100 peak 2454 spectrum 1 weight 0.11000E+01 volume 0.35408E-03 ppm1 4.048 ppm2 3.308 CV 1 ASSI { 2455} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HD2 )) 3.900 3.900 2.100 peak 2455 spectrum 1 weight 0.11000E+01 volume 0.40400E-03 ppm1 4.066 ppm2 3.191 CV 1 ASSI { 2456} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 166 and name HN )) 4.700 2.700 1.300 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.25105E-03 ppm1 1.452 ppm2 8.315 CV 1 ASSI { 2457} ( segid " " and resid 224 and name HB% ) ( segid " " and resid 165 and name HG1%) 3.100 1.200 1.200 peak 2457 spectrum 1 weight 0.11000E+01 volume 0.46548E-02 ppm1 1.454 ppm2 0.848 CV 1 ASSI { 2458} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 167 and name HB1 )) 3.000 1.100 1.100 peak 2458 spectrum 1 weight 0.11000E+01 volume 0.20478E-02 ppm1 1.447 ppm2 1.876 CV 1 ASSI { 2459} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 220 and name HA )) 2.400 2.400 3.600 peak 2459 spectrum 1 weight 0.11000E+01 volume 0.14989E-01 ppm1 1.455 ppm2 4.080 CV 1 ASSI { 2460} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 220 and name HB2 )) 3.500 1.500 1.500 peak 2460 spectrum 1 weight 0.11000E+01 volume 0.25979E-02 ppm1 1.446 ppm2 1.753 CV 1 ASSI { 2461} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 221 and name HB1 )) 4.400 2.400 1.600 peak 2461 spectrum 1 weight 0.11000E+01 volume 0.59080E-03 ppm1 1.455 ppm2 3.572 CV 1 ASSI { 2462} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 221 and name HB2 )) 4.400 2.400 1.600 peak 2462 spectrum 1 weight 0.11000E+01 volume 0.73764E-03 ppm1 1.458 ppm2 3.352 CV 1 ASSI { 2463} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 222 and name HB1 )) 4.000 2.000 2.000 peak 2463 spectrum 1 weight 0.11000E+01 volume 0.12168E-02 ppm1 1.455 ppm2 2.142 CV 1 ASSI { 2465} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 225 and name HB2 )) 3.500 1.500 1.500 peak 2465 spectrum 1 weight 0.11000E+01 volume 0.15909E-02 ppm1 1.459 ppm2 3.172 CV 1 ASSI { 2466} ( segid " " and resid 224 and name HB% ) ( segid " " and resid 225 and name HD% ) 4.300 4.300 1.700 peak 2466 spectrum 1 weight 0.11000E+01 volume 0.81857E-03 ppm1 1.452 ppm2 7.151 CV 1 ASSI { 2467} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 226 and name HG2 )) 5.000 3.100 1.000 peak 2467 spectrum 1 weight 0.11000E+01 volume 0.44498E-03 ppm1 1.456 ppm2 2.458 CV 1 ASSI { 2468} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 228 and name HA )) 2.300 2.300 3.700 peak 2468 spectrum 1 weight 0.11000E+01 volume 0.15202E-01 ppm1 1.455 ppm2 4.129 CV 1 ASSI { 2470} (( segid " " and resid 225 and name HA )) (( segid " " and resid 221 and name HA )) 4.400 2.400 1.600 peak 2470 spectrum 1 weight 0.11000E+01 volume 0.37426E-03 ppm1 4.322 ppm2 3.972 CV 1 ASSI { 2471} (( segid " " and resid 225 and name HA )) (( segid " " and resid 221 and name HB2 )) 4.600 4.600 1.400 peak 2471 spectrum 1 weight 0.11000E+01 volume 0.51446E-03 ppm1 4.321 ppm2 3.337 CV 1 ASSI { 2472} (( segid " " and resid 225 and name HA )) (( segid " " and resid 222 and name HA )) 4.400 2.500 1.600 peak 2472 spectrum 1 weight 0.11000E+01 volume 0.15066E-02 ppm1 4.323 ppm2 4.148 CV 1 ASSI { 2473} (( segid " " and resid 225 and name HA )) (( segid " " and resid 226 and name HG2 )) 5.200 5.200 0.800 peak 2473 spectrum 1 weight 0.11000E+01 volume 0.33721E-03 ppm1 4.318 ppm2 2.481 CV 1 ASSI { 2474} (( segid " " and resid 225 and name HA )) ( segid " " and resid 224 and name HB% ) 2.900 1.100 1.100 peak 2474 spectrum 1 weight 0.11000E+01 volume 0.30802E-02 ppm1 4.320 ppm2 1.441 CV 1 ASSI { 2475} (( segid " " and resid 225 and name HA )) (( segid " " and resid 225 and name HB1 )) 2.700 0.900 0.900 peak 2475 spectrum 1 weight 0.11000E+01 volume 0.70235E-02 ppm1 4.321 ppm2 3.180 CV 1 ASSI { 2476} (( segid " " and resid 225 and name HA )) ( segid " " and resid 225 and name HD% ) 3.100 1.200 1.200 peak 2476 spectrum 1 weight 0.11000E+01 volume 0.22183E-02 ppm1 4.321 ppm2 7.134 CV 1 ASSI { 2478} (( segid " " and resid 225 and name HA )) (( segid " " and resid 228 and name HA )) 3.400 1.400 1.400 peak 2478 spectrum 1 weight 0.11000E+01 volume 0.12321E-02 ppm1 4.321 ppm2 4.138 CV 1 ASSI { 2481} (( segid " " and resid 225 and name HB1 )) (( segid " " and resid 223 and name HA )) 3.300 1.400 1.400 peak 2481 spectrum 1 weight 0.11000E+01 volume 0.20865E-02 ppm1 3.179 ppm2 4.197 CV 1 ASSI { 2482} (( segid " " and resid 225 and name HB1 )) ( segid " " and resid 224 and name HB% ) 4.500 2.500 1.500 peak 2482 spectrum 1 weight 0.11000E+01 volume 0.53118E-03 ppm1 3.196 ppm2 1.458 CV 1 ASSI { 2484} (( segid " " and resid 225 and name HB1 )) ( segid " " and resid 225 and name HD% ) 2.800 1.000 1.000 peak 2484 spectrum 1 weight 0.11000E+01 volume 0.22571E-02 ppm1 3.183 ppm2 7.131 CV 1 ASSI { 2485} (( segid " " and resid 225 and name HB1 )) (( segid " " and resid 226 and name HB1 )) 4.100 2.100 1.900 peak 2485 spectrum 1 weight 0.11000E+01 volume 0.70203E-03 ppm1 3.184 ppm2 2.155 CV 1 ASSI { 2487} (( segid " " and resid 225 and name HB2 )) ( segid " " and resid 225 and name HD% ) 3.100 1.200 1.200 peak 2487 spectrum 1 weight 0.11000E+01 volume 0.17631E-02 ppm1 3.157 ppm2 7.132 CV 1 ASSI { 2488} (( segid " " and resid 225 and name HB2 )) (( segid " " and resid 225 and name HN )) 4.200 2.200 1.800 peak 2488 spectrum 1 weight 0.11000E+01 volume 0.40634E-03 ppm1 3.177 ppm2 7.971 CV 1 ASSI { 2490} (( segid " " and resid 226 and name HA )) ( segid " " and resid 223 and name HB% ) 4.200 2.200 1.800 peak 2490 spectrum 1 weight 0.11000E+01 volume 0.23619E-02 ppm1 3.917 ppm2 1.487 CV 1 ASSI { 2491} (( segid " " and resid 226 and name HA )) (( segid " " and resid 226 and name HB1 )) 2.700 0.900 0.900 peak 2491 spectrum 1 weight 0.11000E+01 volume 0.62217E-02 ppm1 3.916 ppm2 2.177 CV 1 ASSI { 2493} (( segid " " and resid 226 and name HA )) (( segid " " and resid 227 and name HG1 )) 4.300 2.300 1.700 peak 2493 spectrum 1 weight 0.11000E+01 volume 0.16130E-02 ppm1 3.916 ppm2 1.593 CV 1 ASSI { 2494} (( segid " " and resid 226 and name HB1 )) (( segid " " and resid 222 and name HA )) 3.000 3.000 3.000 peak 2494 spectrum 1 weight 0.11000E+01 volume 0.36341E-02 ppm1 2.180 ppm2 4.172 CV 1 ASSI { 2495} (( segid " " and resid 226 and name HB1 )) (( segid " " and resid 222 and name HG1 )) 2.300 2.300 3.700 peak 2495 spectrum 1 weight 0.11000E+01 volume 0.94002E-02 ppm1 2.180 ppm2 2.482 CV 1 ASSI { 2498} (( segid " " and resid 226 and name HB1 )) (( segid " " and resid 226 and name HG2 )) 2.100 0.500 0.500 peak 2498 spectrum 1 weight 0.11000E+01 volume 0.94002E-02 ppm1 2.180 ppm2 2.453 CV 1 ASSI { 2499} (( segid " " and resid 226 and name HB1 )) (( segid " " and resid 227 and name HG1 )) 4.700 2.800 1.300 peak 2499 spectrum 1 weight 0.11000E+01 volume 0.10194E-02 ppm1 2.183 ppm2 1.642 CV 1 ASSI { 2502} (( segid " " and resid 226 and name HG1 )) ( segid " " and resid 225 and name HD% ) 2.200 2.200 3.800 peak 2502 spectrum 1 weight 0.11000E+01 volume 0.13375E-02 ppm1 2.500 ppm2 7.122 CV 1 ASSI { 2503} (( segid " " and resid 226 and name HG1 )) (( segid " " and resid 226 and name HA )) 2.800 1.000 1.000 peak 2503 spectrum 1 weight 0.11000E+01 volume 0.47103E-02 ppm1 2.499 ppm2 3.925 CV 1 ASSI { 2505} (( segid " " and resid 227 and name HA )) (( segid " " and resid 226 and name HB1 )) 3.600 1.700 1.700 peak 2505 spectrum 1 weight 0.11000E+01 volume 0.19985E-02 ppm1 4.108 ppm2 2.130 CV 1 ASSI { 2506} (( segid " " and resid 227 and name HA )) (( segid " " and resid 227 and name HB1 )) 2.400 0.700 0.700 peak 2506 spectrum 1 weight 0.11000E+01 volume 0.60483E-02 ppm1 4.110 ppm2 1.936 CV 1 ASSI { 2507} (( segid " " and resid 227 and name HA )) (( segid " " and resid 227 and name HB2 )) 2.400 0.700 0.700 peak 2507 spectrum 1 weight 0.11000E+01 volume 0.62208E-02 ppm1 4.111 ppm2 1.850 CV 1 ASSI { 2508} (( segid " " and resid 227 and name HA )) (( segid " " and resid 227 and name HG1 )) 3.300 1.400 1.400 peak 2508 spectrum 1 weight 0.11000E+01 volume 0.29827E-02 ppm1 4.111 ppm2 1.611 CV 1 ASSI { 2509} (( segid " " and resid 227 and name HB1 )) (( segid " " and resid 226 and name HB1 )) 3.100 3.100 2.900 peak 2509 spectrum 1 weight 0.11000E+01 volume 0.39232E-02 ppm1 1.921 ppm2 2.169 CV 1 ASSI { 2512} (( segid " " and resid 227 and name HB1 )) (( segid " " and resid 227 and name HG1 )) 3.100 1.200 1.200 peak 2512 spectrum 1 weight 0.11000E+01 volume 0.24082E-02 ppm1 1.921 ppm2 1.612 CV 1 ASSI { 2513} (( segid " " and resid 227 and name HB2 )) (( segid " " and resid 226 and name HB1 )) 4.800 4.800 1.200 peak 2513 spectrum 1 weight 0.11000E+01 volume 0.80388E-03 ppm1 1.821 ppm2 2.169 CV 1 ASSI { 2516} (( segid " " and resid 227 and name HB2 )) (( segid " " and resid 227 and name HG1 )) 2.500 0.800 0.800 peak 2516 spectrum 1 weight 0.11000E+01 volume 0.27997E-02 ppm1 1.826 ppm2 1.612 CV 1 ASSI { 2517} (( segid " " and resid 227 and name HD1 )) (( segid " " and resid 227 and name HA )) 4.800 2.800 1.200 peak 2517 spectrum 1 weight 0.11000E+01 volume 0.98526E-03 ppm1 3.296 ppm2 4.070 CV 1 ASSI { 2518} (( segid " " and resid 227 and name HD1 )) (( segid " " and resid 227 and name HB1 )) 2.900 1.000 1.000 peak 2518 spectrum 1 weight 0.11000E+01 volume 0.61248E-02 ppm1 3.285 ppm2 1.909 CV 1 ASSI { 2519} (( segid " " and resid 227 and name HD1 )) (( segid " " and resid 227 and name HB2 )) 3.100 1.200 1.200 peak 2519 spectrum 1 weight 0.11000E+01 volume 0.31185E-02 ppm1 3.287 ppm2 1.779 CV 1 ASSI { 2520} (( segid " " and resid 227 and name HD1 )) (( segid " " and resid 227 and name HG1 )) 2.300 0.700 0.700 peak 2520 spectrum 1 weight 0.11000E+01 volume 0.39227E-02 ppm1 3.287 ppm2 1.645 CV 1 ASSI { 2521} (( segid " " and resid 227 and name HD2 )) (( segid " " and resid 128 and name HB1 )) 3.000 3.000 3.000 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.63809E-02 ppm1 3.198 ppm2 1.554 CV 1 ASSI { 2522} (( segid " " and resid 227 and name HD2 )) ( segid " " and resid 223 and name HB% ) 2.600 0.800 0.800 peak 2522 spectrum 1 weight 0.11000E+01 volume 0.31444E-02 ppm1 3.199 ppm2 1.495 CV 1 ASSI { 2523} (( segid " " and resid 227 and name HD2 )) (( segid " " and resid 227 and name HA )) 4.400 2.400 1.600 peak 2523 spectrum 1 weight 0.11000E+01 volume 0.12245E-02 ppm1 3.191 ppm2 4.070 CV 1 ASSI { 2524} (( segid " " and resid 227 and name HD2 )) (( segid " " and resid 227 and name HB1 )) 2.300 2.300 3.700 peak 2524 spectrum 1 weight 0.11000E+01 volume 0.65277E-02 ppm1 3.199 ppm2 1.915 CV 1 ASSI { 2525} (( segid " " and resid 227 and name HD2 )) (( segid " " and resid 227 and name HB2 )) 2.900 1.000 1.000 peak 2525 spectrum 1 weight 0.11000E+01 volume 0.53544E-02 ppm1 3.199 ppm2 1.779 CV 1 ASSI { 2526} (( segid " " and resid 227 and name HD2 )) (( segid " " and resid 227 and name HG1 )) 2.900 1.100 1.100 peak 2526 spectrum 1 weight 0.11000E+01 volume 0.34286E-02 ppm1 3.199 ppm2 1.642 CV 1 ASSI { 2529} (( segid " " and resid 227 and name HG1 )) (( segid " " and resid 227 and name HG2 )) 1.600 0.300 0.600 peak 2529 spectrum 1 weight 0.11000E+01 volume 0.11096E-01 ppm1 1.610 ppm2 1.833 CV 1 ASSI { 2530} (( segid " " and resid 227 and name HG2 )) (( segid " " and resid 226 and name HB1 )) 3.900 3.900 2.100 peak 2530 spectrum 1 weight 0.11000E+01 volume 0.88490E-03 ppm1 1.821 ppm2 2.145 CV 1 ASSI { 2531} (( segid " " and resid 227 and name HG2 )) (( segid " " and resid 227 and name HA )) 3.400 1.400 1.400 peak 2531 spectrum 1 weight 0.11000E+01 volume 0.21566E-02 ppm1 1.818 ppm2 4.102 CV 1 ASSI { 2532} (( segid " " and resid 227 and name HG2 )) (( segid " " and resid 227 and name HD1 )) 2.900 1.100 1.100 peak 2532 spectrum 1 weight 0.11000E+01 volume 0.20355E-02 ppm1 1.821 ppm2 3.273 CV 1 ASSI { 2533} (( segid " " and resid 228 and name HA )) (( segid " " and resid 227 and name HG2 )) 4.800 2.800 1.200 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.39396E-03 ppm1 4.152 ppm2 1.857 CV 1 OR { 2533} (( segid " " and resid 228 and name HA )) (( segid " " and resid 227 and name HB2 )) ASSI { 2535} (( segid " " and resid 228 and name HA )) ( segid " " and resid 225 and name HD% ) 2.700 2.700 3.300 peak 2535 spectrum 1 weight 0.11000E+01 volume 0.37672E-03 ppm1 4.156 ppm2 7.141 CV 1 ASSI { 2536} (( segid " " and resid 228 and name HA )) (( segid " " and resid 227 and name HD2 )) 2.200 2.200 3.800 peak 2536 spectrum 1 weight 0.11000E+01 volume 0.14225E-02 ppm1 4.156 ppm2 3.143 CV 1 ASSI { 2538} (( segid " " and resid 228 and name HA )) (( segid " " and resid 228 and name HN )) 3.700 1.700 1.700 peak 2538 spectrum 1 weight 0.11000E+01 volume 0.42866E-03 ppm1 4.158 ppm2 7.743 CV 1 ASSI { 2539} ( segid " " and resid 228 and name HB% ) (( segid " " and resid 225 and name HA )) 2.900 1.100 1.100 peak 2539 spectrum 1 weight 0.11000E+01 volume 0.29266E-02 ppm1 1.444 ppm2 4.300 CV 1 ASSI { 2540} ( segid " " and resid 228 and name HB% ) (( segid " " and resid 225 and name HB1 )) 2.000 2.000 4.000 peak 2540 spectrum 1 weight 0.11000E+01 volume 0.25187E-02 ppm1 1.446 ppm2 3.170 CV 1 ASSI { 2541} ( segid " " and resid 228 and name HB% ) ( segid " " and resid 225 and name HD% ) 2.200 2.200 3.800 peak 2541 spectrum 1 weight 0.11000E+01 volume 0.13044E-02 ppm1 1.439 ppm2 7.119 CV 1 ASSI { 2542} ( segid " " and resid 228 and name HB% ) (( segid " " and resid 226 and name HB1 )) 2.300 2.300 3.700 peak 2542 spectrum 1 weight 0.11000E+01 volume 0.98836E-03 ppm1 1.447 ppm2 2.140 CV 1 ASSI { 2543} ( segid " " and resid 228 and name HB% ) (( segid " " and resid 226 and name HG2 )) 2.600 2.600 3.400 peak 2543 spectrum 1 weight 0.11000E+01 volume 0.49945E-03 ppm1 1.446 ppm2 2.458 CV 1 ASSI { 2544} ( segid " " and resid 228 and name HB% ) (( segid " " and resid 228 and name HA )) 2.100 0.600 0.600 peak 2544 spectrum 1 weight 0.11000E+01 volume 0.18120E-01 ppm1 1.445 ppm2 4.135 CV 1 ASSI { 2546} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HB2 )) 3.700 1.700 1.700 peak 2546 spectrum 1 weight 0.11000E+01 volume 0.12114E-02 ppm1 -0.011 ppm2 2.096 CV 1 ASSI { 2548} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 128 and name HG2 )) 3.000 1.100 1.100 peak 2548 spectrum 1 weight 0.11000E+01 volume 0.33411E-02 ppm1 -0.007 ppm2 2.006 CV 1 ASSI { 2549} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HA )) 3.000 1.100 1.100 peak 2549 spectrum 1 weight 0.11000E+01 volume 0.44747E-02 ppm1 -0.009 ppm2 4.529 CV 1 ASSI { 2550} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HB1 )) 2.800 0.900 0.900 peak 2550 spectrum 1 weight 0.11000E+01 volume 0.36012E-02 ppm1 -0.008 ppm2 1.643 CV 1 ASSI { 2551} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HB2 )) 3.200 1.300 1.300 peak 2551 spectrum 1 weight 0.11000E+01 volume 0.29241E-02 ppm1 -0.008 ppm2 0.994 CV 1 ASSI { 2553} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HG )) 2.500 0.800 0.800 peak 2553 spectrum 1 weight 0.11000E+01 volume 0.43207E-02 ppm1 -0.008 ppm2 1.402 CV 1 ASSI { 2554} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 131 and name HB2 )) 5.000 3.200 1.000 peak 2554 spectrum 1 weight 0.11000E+01 volume 0.37739E-03 ppm1 -0.010 ppm2 3.975 CV 1 ASSI { 2555} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 132 and name HA )) 4.300 2.400 1.700 peak 2555 spectrum 1 weight 0.11000E+01 volume 0.79134E-03 ppm1 0.001 ppm2 4.376 CV 1 ASSI { 2556} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HA )) 3.300 3.300 2.700 peak 2556 spectrum 1 weight 0.11000E+01 volume 0.27579E-02 ppm1 -0.015 ppm2 4.597 CV 1 ASSI { 2557} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HB1 )) 3.500 1.500 1.500 peak 2557 spectrum 1 weight 0.11000E+01 volume 0.33411E-02 ppm1 -0.007 ppm2 2.006 CV 1 ASSI { 2558} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HE21)) 3.800 1.800 1.800 peak 2558 spectrum 1 weight 0.11000E+01 volume 0.16520E-02 ppm1 -0.008 ppm2 6.789 CV 1 ASSI { 2559} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 160 and name HA )) 4.200 4.200 1.800 peak 2559 spectrum 1 weight 0.11000E+01 volume 0.64837E-03 ppm1 -0.004 ppm2 4.942 CV 1 ASSI { 2560} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 161 and name HA )) 4.300 2.300 1.700 peak 2560 spectrum 1 weight 0.11000E+01 volume 0.92535E-03 ppm1 -0.007 ppm2 5.592 CV 1 ASSI { 2561} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 161 and name HD% ) 4.100 4.100 1.900 peak 2561 spectrum 1 weight 0.11000E+01 volume 0.86283E-03 ppm1 -0.009 ppm2 6.953 CV 1 ASSI { 2562} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 162 and name HE% ) 5.700 5.700 0.300 peak 2562 spectrum 1 weight 0.11000E+01 volume 0.32769E-03 ppm1 -0.008 ppm2 6.506 CV 1
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