NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
22429 | 2jom | 15399 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 3} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB1 )) 4.000 2.000 2.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.12653E-02 ppm1 8.511 ppm2 1.969 CV 1 ASSI { 8} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD2%) 5.300 3.600 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.50968E-03 ppm1 8.042 ppm2 -0.001 CV 1 ASSI { 80} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.300 0.700 0.700 peak 80 spectrum 1 weight 0.11000E+01 volume 0.68172E-02 ppm1 8.518 ppm2 4.346 CV 1 ASSI { 81} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB1 )) 3.400 1.500 1.500 peak 81 spectrum 1 weight 0.11000E+01 volume 0.13536E-02 ppm1 8.519 ppm2 1.572 CV 1 ASSI { 82} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA1 )) 2.400 0.700 0.700 peak 82 spectrum 1 weight 0.11000E+01 volume 0.76256E-02 ppm1 8.512 ppm2 3.887 CV 1 ASSI { 83} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HA2 )) 3.000 3.000 3.000 peak 83 spectrum 1 weight 0.11000E+01 volume 0.11730E-01 ppm1 8.517 ppm2 3.894 CV 1 ASSI { 86} (( segid " " and resid 126 and name HN )) (( segid " " and resid 124 and name HA )) 4.300 2.400 1.700 peak 86 spectrum 1 weight 0.11000E+01 volume 0.32311E-03 ppm1 8.363 ppm2 4.339 CV 1 ASSI { 87} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.11000E+01 volume 0.24472E-02 ppm1 8.365 ppm2 8.531 CV 1 ASSI { 88} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA1 )) 2.300 0.700 0.700 peak 88 spectrum 1 weight 0.11000E+01 volume 0.85772E-02 ppm1 8.368 ppm2 3.808 CV 1 ASSI { 89} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA2 )) 2.500 0.800 0.800 peak 89 spectrum 1 weight 0.11000E+01 volume 0.11957E-01 ppm1 8.369 ppm2 3.921 CV 1 ASSI { 90} (( segid " " and resid 126 and name HN )) ( segid " " and resid 127 and name HD% ) 5.100 3.200 0.900 peak 90 spectrum 1 weight 0.11000E+01 volume 0.19404E-03 ppm1 8.366 ppm2 6.867 CV 1 ASSI { 91} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HN )) 2.500 0.800 0.800 peak 91 spectrum 1 weight 0.11000E+01 volume 0.30488E-02 ppm1 8.368 ppm2 7.822 CV 1 ASSI { 92} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA1 )) 3.200 1.300 1.300 peak 92 spectrum 1 weight 0.11000E+01 volume 0.19970E-02 ppm1 7.800 ppm2 3.789 CV 1 ASSI { 93} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA2 )) 3.200 1.300 1.300 peak 93 spectrum 1 weight 0.11000E+01 volume 0.29607E-02 ppm1 7.800 ppm2 3.921 CV 1 ASSI { 95} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 95 spectrum 1 weight 0.11000E+01 volume 0.20387E-02 ppm1 7.802 ppm2 4.420 CV 1 ASSI { 96} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.400 0.700 0.700 peak 96 spectrum 1 weight 0.11000E+01 volume 0.42006E-02 ppm1 7.801 ppm2 2.922 CV 1 ASSI { 97} (( segid " " and resid 127 and name HN )) ( segid " " and resid 127 and name HD% ) 2.500 2.500 3.500 peak 97 spectrum 1 weight 0.11000E+01 volume 0.42761E-02 ppm1 7.801 ppm2 6.851 CV 1 ASSI { 99} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HB1 )) 5.100 3.200 0.900 peak 99 spectrum 1 weight 0.11000E+01 volume 0.20995E-03 ppm1 7.814 ppm2 1.573 CV 1 ASSI { 101} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) 4.900 3.000 1.100 peak 101 spectrum 1 weight 0.11000E+01 volume 0.22421E-03 ppm1 7.809 ppm2 9.124 CV 1 ASSI { 102} (( segid " " and resid 127 and name HN )) (( segid " " and resid 163 and name HD2 )) 3.900 3.900 2.100 peak 102 spectrum 1 weight 0.11000E+01 volume 0.94258E-03 ppm1 7.813 ppm2 3.011 CV 1 ASSI { 103} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 2.300 0.700 0.700 peak 103 spectrum 1 weight 0.11000E+01 volume 0.50143E-02 ppm1 9.101 ppm2 4.412 CV 1 ASSI { 104} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB1 )) 3.500 1.500 1.500 peak 104 spectrum 1 weight 0.11000E+01 volume 0.16799E-02 ppm1 9.101 ppm2 2.877 CV 1 ASSI { 105} (( segid " " and resid 128 and name HN )) ( segid " " and resid 127 and name HD% ) 4.600 2.600 1.400 peak 105 spectrum 1 weight 0.11000E+01 volume 0.80314E-03 ppm1 9.099 ppm2 6.854 CV 1 ASSI { 107} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.700 0.900 0.900 peak 107 spectrum 1 weight 0.11000E+01 volume 0.36533E-02 ppm1 9.102 ppm2 4.477 CV 1 ASSI { 108} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB1 )) 3.000 1.100 1.100 peak 108 spectrum 1 weight 0.11000E+01 volume 0.11867E-02 ppm1 9.100 ppm2 1.606 CV 1 ASSI { 109} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.800 1.800 1.800 peak 109 spectrum 1 weight 0.11000E+01 volume 0.19365E-02 ppm1 9.101 ppm2 1.057 CV 1 ASSI { 110} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HG1 )) 3.200 1.300 1.300 peak 110 spectrum 1 weight 0.11000E+01 volume 0.14937E-02 ppm1 9.101 ppm2 2.211 CV 1 ASSI { 111} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HA )) 3.700 1.700 1.700 peak 111 spectrum 1 weight 0.11000E+01 volume 0.12222E-02 ppm1 9.102 ppm2 4.541 CV 1 ASSI { 112} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 5.200 3.400 0.800 peak 112 spectrum 1 weight 0.11000E+01 volume 0.14724E-03 ppm1 9.102 ppm2 8.064 CV 1 ASSI { 113} (( segid " " and resid 128 and name HN )) (( segid " " and resid 161 and name HA )) 5.600 3.900 0.400 peak 113 spectrum 1 weight 0.11000E+01 volume 0.14958E-03 ppm1 9.102 ppm2 5.562 CV 1 ASSI { 115} (( segid " " and resid 128 and name HN )) (( segid " " and resid 163 and name HA )) 3.400 1.500 1.500 peak 115 spectrum 1 weight 0.11000E+01 volume 0.31860E-03 ppm1 9.103 ppm2 4.652 CV 1 ASSI { 116} (( segid " " and resid 128 and name HN )) (( segid " " and resid 163 and name HG1 )) 6.000 6.000 0.000 peak 116 spectrum 1 weight 0.11000E+01 volume 0.85862E-05 ppm1 9.106 ppm2 1.677 CV 1 ASSI { 117} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.500 1.500 1.500 peak 117 spectrum 1 weight 0.11000E+01 volume 0.32229E-02 ppm1 8.037 ppm2 1.010 CV 1 ASSI { 118} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HE% ) 5.400 3.600 0.600 peak 118 spectrum 1 weight 0.11000E+01 volume 0.14221E-03 ppm1 8.041 ppm2 1.985 CV 1 ASSI { 119} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG1 )) 4.000 2.000 2.000 peak 119 spectrum 1 weight 0.11000E+01 volume 0.64778E-03 ppm1 8.042 ppm2 2.223 CV 1 ASSI { 120} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.11000E+01 volume 0.94567E-02 ppm1 8.042 ppm2 4.501 CV 1 ASSI { 121} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB1 )) 3.300 3.300 2.700 peak 121 spectrum 1 weight 0.11000E+01 volume 0.40170E-02 ppm1 8.033 ppm2 1.606 CV 1 ASSI { 122} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 2.600 2.600 3.400 peak 122 spectrum 1 weight 0.11000E+01 volume 0.32229E-02 ppm1 8.042 ppm2 1.011 CV 1 ASSI { 123} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD1%) 4.700 2.800 1.300 peak 123 spectrum 1 weight 0.11000E+01 volume 0.57763E-03 ppm1 8.044 ppm2 0.621 CV 1 ASSI { 124} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB1 )) 4.500 4.500 1.500 peak 124 spectrum 1 weight 0.11000E+01 volume 0.35042E-03 ppm1 9.341 ppm2 1.628 CV 1 ASSI { 125} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB2 )) 5.200 5.200 0.800 peak 125 spectrum 1 weight 0.11000E+01 volume 0.28983E-03 ppm1 9.336 ppm2 0.991 CV 1 ASSI { 126} (( segid " " and resid 130 and name HN )) ( segid " " and resid 129 and name HD1%) 6.000 4.500 0.000 peak 126 spectrum 1 weight 0.11000E+01 volume 0.19789E-03 ppm1 9.362 ppm2 0.637 CV 1 ASSI { 127} (( segid " " and resid 130 and name HN )) ( segid " " and resid 129 and name HD2%) 3.600 1.600 1.600 peak 127 spectrum 1 weight 0.11000E+01 volume 0.15265E-02 ppm1 9.342 ppm2 0.002 CV 1 ASSI { 128} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HG )) 6.000 5.500 0.000 peak 128 spectrum 1 weight 0.11000E+01 volume 0.52795E-04 ppm1 9.350 ppm2 1.434 CV 1 ASSI { 129} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA1 )) 2.400 2.400 3.600 peak 129 spectrum 1 weight 0.11000E+01 volume 0.35611E-02 ppm1 9.341 ppm2 4.478 CV 1 ASSI { 130} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA2 )) 3.100 1.200 1.200 peak 130 spectrum 1 weight 0.11000E+01 volume 0.16123E-02 ppm1 9.341 ppm2 4.155 CV 1 ASSI { 132} (( segid " " and resid 130 and name HN )) (( segid " " and resid 159 and name HA )) 4.300 2.300 1.700 peak 132 spectrum 1 weight 0.11000E+01 volume 0.73105E-03 ppm1 9.340 ppm2 4.576 CV 1 ASSI { 133} (( segid " " and resid 130 and name HN )) ( segid " " and resid 160 and name HG1%) 5.800 4.200 0.200 peak 133 spectrum 1 weight 0.11000E+01 volume 0.15944E-03 ppm1 9.343 ppm2 0.953 CV 1 ASSI { 134} (( segid " " and resid 130 and name HN )) (( segid " " and resid 160 and name HN )) 4.200 2.200 1.800 peak 134 spectrum 1 weight 0.11000E+01 volume 0.28448E-03 ppm1 9.347 ppm2 8.541 CV 1 ASSI { 135} (( segid " " and resid 130 and name HN )) (( segid " " and resid 161 and name HA )) 3.800 1.800 1.800 peak 135 spectrum 1 weight 0.11000E+01 volume 0.47640E-03 ppm1 9.339 ppm2 5.574 CV 1 ASSI { 136} (( segid " " and resid 130 and name HN )) ( segid " " and resid 162 and name HD% ) 4.500 2.600 1.500 peak 136 spectrum 1 weight 0.11000E+01 volume 0.25937E-03 ppm1 9.345 ppm2 7.195 CV 1 ASSI { 137} (( segid " " and resid 130 and name HN )) ( segid " " and resid 162 and name HE% ) 4.300 2.400 1.700 peak 137 spectrum 1 weight 0.11000E+01 volume 0.81165E-03 ppm1 9.341 ppm2 6.501 CV 1 ASSI { 138} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA1 )) 2.800 1.000 1.000 peak 138 spectrum 1 weight 0.11000E+01 volume 0.99490E-02 ppm1 8.350 ppm2 4.423 CV 1 ASSI { 139} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA2 )) 2.400 0.700 0.700 peak 139 spectrum 1 weight 0.11000E+01 volume 0.46054E-02 ppm1 8.351 ppm2 4.156 CV 1 ASSI { 140} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HN )) 4.100 2.100 1.900 peak 140 spectrum 1 weight 0.11000E+01 volume 0.56540E-03 ppm1 8.352 ppm2 9.361 CV 1 ASSI { 141} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 2.300 0.700 0.700 peak 141 spectrum 1 weight 0.11000E+01 volume 0.76553E-02 ppm1 8.352 ppm2 4.405 CV 1 ASSI { 142} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.100 1.200 1.200 peak 142 spectrum 1 weight 0.11000E+01 volume 0.58641E-02 ppm1 8.352 ppm2 3.962 CV 1 ASSI { 143} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB2 )) 2.800 1.000 1.000 peak 143 spectrum 1 weight 0.11000E+01 volume 0.46821E-02 ppm1 8.351 ppm2 3.902 CV 1 ASSI { 144} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 5.000 3.100 1.000 peak 144 spectrum 1 weight 0.11000E+01 volume 0.63012E-03 ppm1 8.353 ppm2 8.597 CV 1 ASSI { 145} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.200 0.600 0.600 peak 145 spectrum 1 weight 0.11000E+01 volume 0.11304E-01 ppm1 8.606 ppm2 4.408 CV 1 ASSI { 146} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB1 )) 2.600 0.900 0.900 peak 146 spectrum 1 weight 0.11000E+01 volume 0.44584E-02 ppm1 8.605 ppm2 3.964 CV 1 ASSI { 147} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB2 )) 3.600 1.600 1.600 peak 147 spectrum 1 weight 0.11000E+01 volume 0.26707E-02 ppm1 8.606 ppm2 3.895 CV 1 ASSI { 148} (( segid " " and resid 132 and name HN )) ( segid " " and resid 132 and name HB% ) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.11000E+01 volume 0.91451E-02 ppm1 8.606 ppm2 1.273 CV 1 ASSI { 149} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) 3.400 1.500 1.500 peak 149 spectrum 1 weight 0.11000E+01 volume 0.10534E-02 ppm1 8.604 ppm2 8.814 CV 1 ASSI { 150} (( segid " " and resid 132 and name HN )) (( segid " " and resid 159 and name HB2 )) 5.100 3.200 0.900 peak 150 spectrum 1 weight 0.11000E+01 volume 0.42040E-03 ppm1 8.608 ppm2 2.136 CV 1 ASSI { 151} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 2.200 0.600 0.600 peak 151 spectrum 1 weight 0.11000E+01 volume 0.75309E-02 ppm1 8.821 ppm2 4.374 CV 1 ASSI { 152} (( segid " " and resid 133 and name HN )) ( segid " " and resid 132 and name HB% ) 3.500 1.500 1.500 peak 152 spectrum 1 weight 0.11000E+01 volume 0.27784E-02 ppm1 8.820 ppm2 1.272 CV 1 ASSI { 153} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 3.300 1.300 1.300 peak 153 spectrum 1 weight 0.11000E+01 volume 0.13118E-02 ppm1 8.816 ppm2 4.748 CV 1 ASSI { 154} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB1 )) 2.900 1.000 1.000 peak 154 spectrum 1 weight 0.11000E+01 volume 0.15567E-02 ppm1 8.822 ppm2 2.111 CV 1 ASSI { 155} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 4.000 2.000 2.000 peak 155 spectrum 1 weight 0.11000E+01 volume 0.16100E-02 ppm1 8.822 ppm2 1.964 CV 1 ASSI { 156} (( segid " " and resid 133 and name HN )) ( segid " " and resid 133 and name HE% ) 4.900 3.000 1.100 peak 156 spectrum 1 weight 0.11000E+01 volume 0.51418E-03 ppm1 8.841 ppm2 1.883 CV 1 ASSI { 157} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG1 )) 3.300 1.400 1.400 peak 157 spectrum 1 weight 0.11000E+01 volume 0.85001E-03 ppm1 8.820 ppm2 2.508 CV 1 ASSI { 158} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG2 )) 3.000 1.100 1.100 peak 158 spectrum 1 weight 0.11000E+01 volume 0.16993E-02 ppm1 8.821 ppm2 2.451 CV 1 ASSI { 159} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HN )) 4.400 2.400 1.600 peak 159 spectrum 1 weight 0.11000E+01 volume 0.34596E-03 ppm1 8.828 ppm2 8.443 CV 1 ASSI { 160} (( segid " " and resid 133 and name HN )) (( segid " " and resid 158 and name HA )) 4.300 2.300 1.700 peak 160 spectrum 1 weight 0.11000E+01 volume 0.11370E-02 ppm1 8.806 ppm2 4.720 CV 1 ASSI { 161} (( segid " " and resid 133 and name HN )) (( segid " " and resid 158 and name HB2 )) 4.300 2.300 1.700 peak 161 spectrum 1 weight 0.11000E+01 volume 0.63560E-03 ppm1 8.821 ppm2 3.668 CV 1 ASSI { 162} (( segid " " and resid 133 and name HN )) (( segid " " and resid 159 and name HA )) 4.100 2.100 1.900 peak 162 spectrum 1 weight 0.11000E+01 volume 0.36343E-03 ppm1 8.814 ppm2 4.582 CV 1 ASSI { 163} (( segid " " and resid 133 and name HN )) (( segid " " and resid 159 and name HG1 )) 5.200 3.400 0.800 peak 163 spectrum 1 weight 0.11000E+01 volume 0.52618E-03 ppm1 8.822 ppm2 2.381 CV 1 OR { 163} (( segid " " and resid 133 and name HN )) (( segid " " and resid 159 and name HG2 )) ASSI { 164} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.500 0.800 0.800 peak 164 spectrum 1 weight 0.11000E+01 volume 0.76283E-02 ppm1 8.433 ppm2 4.748 CV 1 ASSI { 165} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB1 )) 3.500 1.500 1.500 peak 165 spectrum 1 weight 0.11000E+01 volume 0.25330E-02 ppm1 8.437 ppm2 2.111 CV 1 ASSI { 166} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.000 1.100 1.100 peak 166 spectrum 1 weight 0.11000E+01 volume 0.25265E-02 ppm1 8.434 ppm2 1.980 CV 1 ASSI { 167} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HG2 )) 4.700 2.800 1.300 peak 167 spectrum 1 weight 0.11000E+01 volume 0.47874E-03 ppm1 8.442 ppm2 2.482 CV 1 ASSI { 168} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA )) 2.700 0.900 0.900 peak 168 spectrum 1 weight 0.11000E+01 volume 0.44051E-02 ppm1 8.434 ppm2 4.340 CV 1 ASSI { 169} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB2 )) 2.800 1.000 1.000 peak 169 spectrum 1 weight 0.11000E+01 volume 0.56231E-02 ppm1 8.433 ppm2 3.778 CV 1 ASSI { 171} (( segid " " and resid 134 and name HN )) ( segid " " and resid 212 and name HE% ) 4.400 2.500 1.600 peak 171 spectrum 1 weight 0.11000E+01 volume 0.14003E-02 ppm1 8.437 ppm2 2.190 CV 1 ASSI { 172} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 2.200 0.600 0.600 peak 172 spectrum 1 weight 0.11000E+01 volume 0.94309E-02 ppm1 8.597 ppm2 4.336 CV 1 ASSI { 173} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB1 )) 5.000 5.000 1.000 peak 173 spectrum 1 weight 0.11000E+01 volume 0.22277E-03 ppm1 8.609 ppm2 3.696 CV 1 ASSI { 174} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB2 )) 3.600 1.600 1.600 peak 174 spectrum 1 weight 0.11000E+01 volume 0.17385E-02 ppm1 8.598 ppm2 3.823 CV 1 ASSI { 175} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 3.900 1.900 1.900 peak 175 spectrum 1 weight 0.11000E+01 volume 0.41144E-03 ppm1 8.598 ppm2 8.438 CV 1 ASSI { 176} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.000 0.500 0.500 peak 176 spectrum 1 weight 0.11000E+01 volume 0.73119E-02 ppm1 8.598 ppm2 4.384 CV 1 ASSI { 177} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB1 )) 2.600 0.800 0.800 peak 177 spectrum 1 weight 0.11000E+01 volume 0.50832E-02 ppm1 8.597 ppm2 1.848 CV 1 OR { 177} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) ASSI { 178} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HD1 )) 5.200 3.300 0.800 peak 178 spectrum 1 weight 0.11000E+01 volume 0.33159E-03 ppm1 8.597 ppm2 3.038 CV 1 ASSI { 179} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HD2 )) 6.000 5.000 0.000 peak 179 spectrum 1 weight 0.11000E+01 volume 0.12986E-03 ppm1 8.579 ppm2 3.130 CV 1 ASSI { 180} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HG2 )) 3.600 1.600 1.600 peak 180 spectrum 1 weight 0.11000E+01 volume 0.27045E-02 ppm1 8.598 ppm2 1.804 CV 1 ASSI { 181} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HG1 )) 3.300 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.27998E-02 ppm1 8.597 ppm2 1.659 CV 1 ASSI { 182} (( segid " " and resid 135 and name HN )) (( segid " " and resid 158 and name HB2 )) 3.700 3.700 2.300 peak 182 spectrum 1 weight 0.11000E+01 volume 0.24288E-03 ppm1 8.582 ppm2 3.685 CV 1 ASSI { 183} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HA )) 2.600 2.600 3.400 peak 183 spectrum 1 weight 0.11000E+01 volume 0.97774E-02 ppm1 8.668 ppm2 4.387 CV 1 ASSI { 184} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB1 )) 3.800 1.800 1.800 peak 184 spectrum 1 weight 0.11000E+01 volume 0.14047E-02 ppm1 8.669 ppm2 2.226 CV 1 ASSI { 185} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HG1 )) 4.000 2.000 2.000 peak 185 spectrum 1 weight 0.11000E+01 volume 0.13944E-02 ppm1 8.657 ppm2 1.731 CV 1 ASSI { 186} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.700 0.900 0.900 peak 186 spectrum 1 weight 0.11000E+01 volume 0.21431E-02 ppm1 8.671 ppm2 4.568 CV 1 ASSI { 187} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB1 )) 2.900 1.100 1.100 peak 187 spectrum 1 weight 0.11000E+01 volume 0.50210E-02 ppm1 8.669 ppm2 1.629 CV 1 ASSI { 188} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.800 1.000 1.000 peak 188 spectrum 1 weight 0.11000E+01 volume 0.32555E-02 ppm1 8.671 ppm2 1.530 CV 1 ASSI { 189} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HG )) 3.600 1.600 1.600 peak 189 spectrum 1 weight 0.11000E+01 volume 0.33827E-02 ppm1 8.670 ppm2 1.584 CV 1 ASSI { 190} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HG12)) 3.800 1.800 1.800 peak 190 spectrum 1 weight 0.11000E+01 volume 0.67121E-03 ppm1 8.667 ppm2 0.895 CV 1 ASSI { 191} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 4.000 2.000 2.000 peak 191 spectrum 1 weight 0.11000E+01 volume 0.41332E-03 ppm1 8.668 ppm2 6.979 CV 1 ASSI { 192} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.100 0.500 0.500 peak 192 spectrum 1 weight 0.11000E+01 volume 0.87538E-02 ppm1 6.983 ppm2 4.555 CV 1 ASSI { 193} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB1 )) 4.000 2.000 2.000 peak 193 spectrum 1 weight 0.11000E+01 volume 0.79317E-03 ppm1 6.984 ppm2 1.641 CV 1 ASSI { 194} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 4.300 2.300 1.700 peak 194 spectrum 1 weight 0.11000E+01 volume 0.79837E-03 ppm1 6.985 ppm2 1.541 CV 1 ASSI { 195} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HG )) 5.000 3.100 1.000 peak 195 spectrum 1 weight 0.11000E+01 volume 0.64104E-03 ppm1 6.991 ppm2 1.618 CV 1 ASSI { 197} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 2.900 1.100 1.100 peak 197 spectrum 1 weight 0.11000E+01 volume 0.19016E-02 ppm1 6.983 ppm2 3.913 CV 1 ASSI { 198} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HD1%) 5.100 3.200 0.900 peak 198 spectrum 1 weight 0.11000E+01 volume 0.34781E-03 ppm1 6.970 ppm2 0.377 CV 1 ASSI { 199} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HG11)) 3.200 1.200 1.200 peak 199 spectrum 1 weight 0.11000E+01 volume 0.20293E-02 ppm1 6.983 ppm2 0.695 CV 1 ASSI { 200} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HG12)) 2.400 0.700 0.700 peak 200 spectrum 1 weight 0.11000E+01 volume 0.25888E-02 ppm1 6.982 ppm2 0.888 CV 1 ASSI { 201} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HD1 )) 3.800 1.800 1.800 peak 201 spectrum 1 weight 0.11000E+01 volume 0.80361E-03 ppm1 6.981 ppm2 12.481 CV 1 ASSI { 202} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HE1 )) 4.100 2.100 1.900 peak 202 spectrum 1 weight 0.11000E+01 volume 0.52995E-03 ppm1 6.981 ppm2 7.168 CV 1 ASSI { 203} (( segid " " and resid 138 and name HN )) ( segid " " and resid 208 and name HG1%) 3.700 1.700 1.700 peak 203 spectrum 1 weight 0.11000E+01 volume 0.33642E-02 ppm1 6.982 ppm2 1.105 CV 1 ASSI { 204} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA )) 2.300 2.300 3.700 peak 204 spectrum 1 weight 0.11000E+01 volume 0.10246E-01 ppm1 8.301 ppm2 3.916 CV 1 ASSI { 205} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 3.100 1.200 1.200 peak 205 spectrum 1 weight 0.11000E+01 volume 0.14736E-02 ppm1 8.300 ppm2 4.941 CV 1 ASSI { 206} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB1 )) 3.400 1.400 1.400 peak 206 spectrum 1 weight 0.11000E+01 volume 0.19164E-02 ppm1 8.300 ppm2 3.291 CV 1 ASSI { 207} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.400 1.400 1.400 peak 207 spectrum 1 weight 0.11000E+01 volume 0.28118E-02 ppm1 8.300 ppm2 2.987 CV 1 ASSI { 208} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HD1 )) 3.000 1.200 1.200 peak 208 spectrum 1 weight 0.11000E+01 volume 0.25332E-02 ppm1 8.301 ppm2 12.478 CV 1 ASSI { 209} (( segid " " and resid 139 and name HN )) ( segid " " and resid 208 and name HG1%) 5.300 3.500 0.700 peak 209 spectrum 1 weight 0.11000E+01 volume 0.10652E-02 ppm1 8.299 ppm2 1.099 CV 1 ASSI { 210} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.800 1.000 1.000 peak 210 spectrum 1 weight 0.11000E+01 volume 0.46153E-02 ppm1 10.340 ppm2 4.941 CV 1 ASSI { 211} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB1 )) 3.700 1.700 1.700 peak 211 spectrum 1 weight 0.11000E+01 volume 0.18748E-02 ppm1 10.341 ppm2 3.287 CV 1 ASSI { 212} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.300 1.400 1.400 peak 212 spectrum 1 weight 0.11000E+01 volume 0.70015E-03 ppm1 10.348 ppm2 2.981 CV 1 ASSI { 213} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 3.300 1.400 1.400 peak 213 spectrum 1 weight 0.11000E+01 volume 0.91592E-03 ppm1 10.340 ppm2 4.212 CV 1 ASSI { 214} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB1 )) 4.400 2.500 1.600 peak 214 spectrum 1 weight 0.11000E+01 volume 0.62191E-03 ppm1 10.339 ppm2 3.360 CV 1 ASSI { 215} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.200 1.300 1.300 peak 215 spectrum 1 weight 0.11000E+01 volume 0.15963E-02 ppm1 10.342 ppm2 2.843 CV 1 ASSI { 216} (( segid " " and resid 140 and name HN )) ( segid " " and resid 140 and name HD% ) 3.200 1.300 1.300 peak 216 spectrum 1 weight 0.11000E+01 volume 0.22319E-02 ppm1 10.340 ppm2 7.374 CV 1 ASSI { 218} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HN )) 5.200 3.300 0.800 peak 218 spectrum 1 weight 0.11000E+01 volume 0.19538E-03 ppm1 10.315 ppm2 7.241 CV 1 ASSI { 219} (( segid " " and resid 140 and name HN )) (( segid " " and resid 146 and name HA )) 5.200 3.400 0.800 peak 219 spectrum 1 weight 0.11000E+01 volume 0.21953E-03 ppm1 10.340 ppm2 4.683 CV 1 ASSI { 220} (( segid " " and resid 140 and name HN )) (( segid " " and resid 146 and name HB1 )) 4.600 2.600 1.400 peak 220 spectrum 1 weight 0.11000E+01 volume 0.73879E-03 ppm1 10.329 ppm2 2.943 CV 1 ASSI { 221} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HA )) 4.100 2.100 1.900 peak 221 spectrum 1 weight 0.11000E+01 volume 0.68429E-03 ppm1 9.018 ppm2 4.930 CV 1 ASSI { 222} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HB1 )) 4.000 2.000 2.000 peak 222 spectrum 1 weight 0.11000E+01 volume 0.14627E-02 ppm1 9.017 ppm2 3.290 CV 1 ASSI { 223} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 3.300 1.400 1.400 peak 223 spectrum 1 weight 0.11000E+01 volume 0.15579E-02 ppm1 9.022 ppm2 4.218 CV 1 ASSI { 224} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB1 )) 3.700 1.700 1.700 peak 224 spectrum 1 weight 0.11000E+01 volume 0.13520E-02 ppm1 9.023 ppm2 3.331 CV 1 ASSI { 225} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 2.900 1.100 1.100 peak 225 spectrum 1 weight 0.11000E+01 volume 0.17987E-02 ppm1 9.018 ppm2 10.361 CV 1 ASSI { 226} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA1 )) 3.000 1.100 1.100 peak 226 spectrum 1 weight 0.11000E+01 volume 0.39390E-02 ppm1 9.018 ppm2 4.134 CV 1 ASSI { 227} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA2 )) 2.600 0.800 0.800 peak 227 spectrum 1 weight 0.11000E+01 volume 0.41245E-02 ppm1 9.019 ppm2 3.725 CV 1 ASSI { 228} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 5.900 0.000 peak 228 spectrum 1 weight 0.11000E+01 volume 0.55317E-04 ppm1 9.019 ppm2 4.853 CV 1 ASSI { 229} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HB1 )) 4.900 3.000 1.100 peak 229 spectrum 1 weight 0.11000E+01 volume 0.70966E-03 ppm1 9.015 ppm2 2.818 CV 1 ASSI { 230} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HB2 )) 4.100 2.100 1.900 peak 230 spectrum 1 weight 0.11000E+01 volume 0.10553E-02 ppm1 9.018 ppm2 2.837 CV 1 ASSI { 232} (( segid " " and resid 142 and name HN )) (( segid " " and resid 139 and name HB1 )) 4.300 2.300 1.700 peak 232 spectrum 1 weight 0.11000E+01 volume 0.13559E-02 ppm1 7.241 ppm2 3.290 CV 1 ASSI { 233} (( segid " " and resid 142 and name HN )) (( segid " " and resid 139 and name HD2 )) 2.100 2.100 3.900 peak 233 spectrum 1 weight 0.11000E+01 volume 0.14049E-02 ppm1 7.240 ppm2 7.409 CV 1 ASSI { 234} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA1 )) 3.400 1.500 1.500 peak 234 spectrum 1 weight 0.11000E+01 volume 0.18194E-02 ppm1 7.241 ppm2 4.132 CV 1 ASSI { 235} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA2 )) 3.100 1.200 1.200 peak 235 spectrum 1 weight 0.11000E+01 volume 0.15671E-02 ppm1 7.241 ppm2 3.722 CV 1 ASSI { 236} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HN )) 2.400 0.700 0.700 peak 236 spectrum 1 weight 0.11000E+01 volume 0.57327E-02 ppm1 7.240 ppm2 9.044 CV 1 ASSI { 237} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA )) 2.800 1.000 1.000 peak 237 spectrum 1 weight 0.11000E+01 volume 0.30263E-02 ppm1 7.241 ppm2 4.858 CV 1 ASSI { 238} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.100 1.200 1.200 peak 238 spectrum 1 weight 0.11000E+01 volume 0.44271E-02 ppm1 7.239 ppm2 2.818 CV 1 ASSI { 239} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB2 )) 2.500 0.800 0.800 peak 239 spectrum 1 weight 0.11000E+01 volume 0.41751E-02 ppm1 7.231 ppm2 2.810 CV 1 ASSI { 240} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HD21)) 3.900 1.900 1.900 peak 240 spectrum 1 weight 0.11000E+01 volume 0.64994E-03 ppm1 7.238 ppm2 7.559 CV 1 ASSI { 241} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) 3.500 1.500 1.500 peak 241 spectrum 1 weight 0.11000E+01 volume 0.30110E-02 ppm1 7.239 ppm2 8.972 CV 1 ASSI { 242} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HB1 )) 6.000 6.000 0.000 peak 242 spectrum 1 weight 0.11000E+01 volume 0.11072E-03 ppm1 7.249 ppm2 1.866 CV 1 ASSI { 243} (( segid " " and resid 142 and name HN )) (( segid " " and resid 146 and name HN )) 5.300 3.600 0.700 peak 243 spectrum 1 weight 0.11000E+01 volume 0.30644E-03 ppm1 7.243 ppm2 8.040 CV 1 ASSI { 244} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA )) 2.300 0.700 0.700 peak 244 spectrum 1 weight 0.11000E+01 volume 0.87041E-02 ppm1 8.967 ppm2 4.855 CV 1 ASSI { 245} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB1 )) 2.700 0.900 0.900 peak 245 spectrum 1 weight 0.11000E+01 volume 0.23961E-02 ppm1 8.972 ppm2 2.800 CV 1 ASSI { 246} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB2 )) 3.200 1.300 1.300 peak 246 spectrum 1 weight 0.11000E+01 volume 0.36970E-02 ppm1 8.965 ppm2 2.831 CV 1 ASSI { 247} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.900 1.000 1.000 peak 247 spectrum 1 weight 0.11000E+01 volume 0.32363E-02 ppm1 8.968 ppm2 4.430 CV 1 ASSI { 248} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.400 0.700 0.700 peak 248 spectrum 1 weight 0.11000E+01 volume 0.78518E-02 ppm1 8.966 ppm2 2.738 CV 1 ASSI { 250} (( segid " " and resid 143 and name HN )) (( segid " " and resid 145 and name HN )) 4.400 2.400 1.600 peak 250 spectrum 1 weight 0.11000E+01 volume 0.38105E-03 ppm1 8.965 ppm2 8.312 CV 1 ASSI { 251} (( segid " " and resid 143 and name HN )) (( segid " " and resid 146 and name HA )) 4.800 2.800 1.200 peak 251 spectrum 1 weight 0.11000E+01 volume 0.76056E-03 ppm1 8.965 ppm2 4.674 CV 1 ASSI { 252} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 6.000 0.000 peak 252 spectrum 1 weight 0.11000E+01 volume 0.18038E-04 ppm1 8.355 ppm2 4.431 CV 1 ASSI { 253} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.500 0.800 0.800 peak 253 spectrum 1 weight 0.11000E+01 volume 0.69601E-02 ppm1 8.361 ppm2 2.720 CV 1 ASSI { 254} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HN )) 2.900 1.000 1.000 peak 254 spectrum 1 weight 0.11000E+01 volume 0.20945E-02 ppm1 8.361 ppm2 8.990 CV 1 ASSI { 255} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 3.000 1.100 1.100 peak 255 spectrum 1 weight 0.11000E+01 volume 0.21833E-02 ppm1 8.362 ppm2 4.212 CV 1 ASSI { 256} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB1 )) 2.700 0.900 0.900 peak 256 spectrum 1 weight 0.11000E+01 volume 0.50923E-02 ppm1 8.361 ppm2 3.234 CV 1 ASSI { 257} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB2 )) 2.400 0.700 0.700 peak 257 spectrum 1 weight 0.11000E+01 volume 0.54948E-02 ppm1 8.361 ppm2 3.038 CV 1 ASSI { 258} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HD% ) 5.000 3.100 1.000 peak 258 spectrum 1 weight 0.11000E+01 volume 0.56843E-03 ppm1 8.362 ppm2 7.077 CV 1 ASSI { 259} (( segid " " and resid 144 and name HN )) (( segid " " and resid 147 and name HN )) 4.600 2.600 1.400 peak 259 spectrum 1 weight 0.11000E+01 volume 0.24366E-03 ppm1 8.359 ppm2 8.060 CV 1 ASSI { 260} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.200 1.300 1.300 peak 260 spectrum 1 weight 0.11000E+01 volume 0.11111E-02 ppm1 8.314 ppm2 2.797 CV 1 ASSI { 261} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HB2 )) 3.900 1.900 1.900 peak 261 spectrum 1 weight 0.11000E+01 volume 0.11111E-02 ppm1 8.317 ppm2 2.802 CV 1 ASSI { 262} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 3.800 1.800 1.800 peak 262 spectrum 1 weight 0.11000E+01 volume 0.65239E-03 ppm1 8.312 ppm2 4.195 CV 1 ASSI { 263} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB1 )) 3.000 1.100 1.100 peak 263 spectrum 1 weight 0.11000E+01 volume 0.13366E-02 ppm1 8.318 ppm2 3.240 CV 1 ASSI { 264} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB2 )) 3.900 1.900 1.900 peak 264 spectrum 1 weight 0.11000E+01 volume 0.16408E-02 ppm1 8.317 ppm2 3.042 CV 1 ASSI { 265} (( segid " " and resid 145 and name HN )) ( segid " " and resid 144 and name HD% ) 4.400 2.400 1.600 peak 265 spectrum 1 weight 0.11000E+01 volume 0.69093E-03 ppm1 8.315 ppm2 7.071 CV 1 ASSI { 266} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA )) 3.000 1.200 1.200 peak 266 spectrum 1 weight 0.11000E+01 volume 0.12943E-02 ppm1 8.317 ppm2 3.534 CV 1 ASSI { 267} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.400 1.500 1.500 peak 267 spectrum 1 weight 0.11000E+01 volume 0.31490E-02 ppm1 8.318 ppm2 1.863 CV 1 ASSI { 268} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB2 )) 3.100 1.200 1.200 peak 268 spectrum 1 weight 0.11000E+01 volume 0.14080E-02 ppm1 8.319 ppm2 1.382 CV 1 ASSI { 269} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG1 )) 2.700 0.900 0.900 peak 269 spectrum 1 weight 0.11000E+01 volume 0.18590E-02 ppm1 8.318 ppm2 2.449 CV 1 ASSI { 270} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG2 )) 3.200 1.300 1.300 peak 270 spectrum 1 weight 0.11000E+01 volume 0.31490E-02 ppm1 8.318 ppm2 1.863 CV 1 ASSI { 271} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB1 )) 4.800 2.800 1.200 peak 271 spectrum 1 weight 0.11000E+01 volume 0.47374E-03 ppm1 8.317 ppm2 2.964 CV 1 ASSI { 272} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 2.700 0.900 0.900 peak 272 spectrum 1 weight 0.11000E+01 volume 0.20764E-02 ppm1 8.323 ppm2 8.024 CV 1 ASSI { 273} (( segid " " and resid 145 and name HN )) (( segid " " and resid 147 and name HN )) 2.900 2.900 3.100 peak 273 spectrum 1 weight 0.11000E+01 volume 0.38762E-02 ppm1 8.322 ppm2 8.112 CV 1 ASSI { 274} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HB1 )) 4.800 2.900 1.200 peak 274 spectrum 1 weight 0.11000E+01 volume 0.79242E-03 ppm1 8.311 ppm2 2.748 CV 1 ASSI { 275} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HN )) 3.800 1.800 1.800 peak 275 spectrum 1 weight 0.11000E+01 volume 0.71510E-03 ppm1 8.317 ppm2 8.438 CV 1 ASSI { 276} (( segid " " and resid 146 and name HN )) (( segid " " and resid 140 and name HB2 )) 2.900 1.100 1.100 peak 276 spectrum 1 weight 0.11000E+01 volume 0.36702E-02 ppm1 8.033 ppm2 2.868 CV 1 ASSI { 278} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 4.300 2.300 1.700 peak 278 spectrum 1 weight 0.11000E+01 volume 0.25065E-03 ppm1 8.031 ppm2 3.536 CV 1 ASSI { 279} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.800 1.800 1.800 peak 279 spectrum 1 weight 0.11000E+01 volume 0.19484E-02 ppm1 8.030 ppm2 1.876 CV 1 ASSI { 280} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB2 )) 3.400 1.500 1.500 peak 280 spectrum 1 weight 0.11000E+01 volume 0.43360E-03 ppm1 8.033 ppm2 1.387 CV 1 ASSI { 282} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 2.800 1.000 1.000 peak 282 spectrum 1 weight 0.11000E+01 volume 0.19837E-02 ppm1 8.033 ppm2 4.685 CV 1 ASSI { 283} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB1 )) 2.700 0.900 0.900 peak 283 spectrum 1 weight 0.11000E+01 volume 0.33557E-02 ppm1 8.037 ppm2 2.960 CV 1 ASSI { 285} (( segid " " and resid 147 and name HE )) ( segid " " and resid 144 and name HE% ) 4.400 4.400 1.600 peak 285 spectrum 1 weight 0.11000E+01 volume 0.60106E-03 ppm1 7.196 ppm2 6.683 CV 1 ASSI { 286} (( segid " " and resid 147 and name HE )) (( segid " " and resid 147 and name HD2 )) 3.600 3.600 2.400 peak 286 spectrum 1 weight 0.11000E+01 volume 0.73446E-03 ppm1 7.215 ppm2 3.185 CV 1 ASSI { 287} (( segid " " and resid 147 and name HE )) (( segid " " and resid 147 and name HG1 )) 4.200 4.200 1.800 peak 287 spectrum 1 weight 0.11000E+01 volume 0.36606E-03 ppm1 7.189 ppm2 1.719 CV 1 ASSI { 288} (( segid " " and resid 147 and name HE )) (( segid " " and resid 150 and name HB1 )) 5.700 5.700 0.300 peak 288 spectrum 1 weight 0.11000E+01 volume 0.19730E-03 ppm1 7.216 ppm2 1.953 CV 1 ASSI { 289} (( segid " " and resid 147 and name HE )) (( segid " " and resid 150 and name HD2 )) 3.900 3.900 2.100 peak 289 spectrum 1 weight 0.11000E+01 volume 0.18112E-02 ppm1 7.210 ppm2 3.208 CV 1 ASSI { 290} (( segid " " and resid 147 and name HN )) (( segid " " and resid 140 and name HB2 )) 4.300 2.300 1.700 peak 290 spectrum 1 weight 0.11000E+01 volume 0.15325E-02 ppm1 8.075 ppm2 2.877 CV 1 ASSI { 291} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HA )) 3.800 1.800 1.800 peak 291 spectrum 1 weight 0.11000E+01 volume 0.67356E-03 ppm1 8.077 ppm2 4.233 CV 1 ASSI { 292} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 4.000 2.000 2.000 peak 292 spectrum 1 weight 0.11000E+01 volume 0.57868E-03 ppm1 8.079 ppm2 4.681 CV 1 ASSI { 293} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB1 )) 2.600 0.900 0.900 peak 293 spectrum 1 weight 0.11000E+01 volume 0.14784E-02 ppm1 8.078 ppm2 2.938 CV 1 ASSI { 294} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB2 )) 6.000 5.000 0.000 peak 294 spectrum 1 weight 0.11000E+01 volume 0.10046E-03 ppm1 8.091 ppm2 2.727 CV 1 ASSI { 295} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.11000E+01 volume 0.24346E-02 ppm1 8.074 ppm2 4.005 CV 1 ASSI { 296} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB1 )) 2.200 0.600 0.600 peak 296 spectrum 1 weight 0.11000E+01 volume 0.73109E-02 ppm1 8.076 ppm2 1.910 CV 1 ASSI { 297} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG1 )) 4.500 2.600 1.500 peak 297 spectrum 1 weight 0.11000E+01 volume 0.10576E-02 ppm1 8.077 ppm2 1.737 CV 1 ASSI { 298} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG2 )) 4.600 2.700 1.400 peak 298 spectrum 1 weight 0.11000E+01 volume 0.65308E-03 ppm1 8.075 ppm2 1.542 CV 1 ASSI { 300} (( segid " " and resid 147 and name HN )) (( segid " " and resid 150 and name HD2 )) 4.900 3.000 1.100 peak 300 spectrum 1 weight 0.11000E+01 volume 0.34862E-03 ppm1 8.086 ppm2 3.207 CV 1 ASSI { 301} (( segid " " and resid 147 and name HN )) (( segid " " and resid 150 and name HG1 )) 3.700 1.700 1.700 peak 301 spectrum 1 weight 0.11000E+01 volume 0.73109E-02 ppm1 8.076 ppm2 1.907 CV 1 ASSI { 302} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HA )) 3.800 1.800 1.800 peak 302 spectrum 1 weight 0.11000E+01 volume 0.63329E-03 ppm1 8.448 ppm2 3.552 CV 1 ASSI { 303} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.600 1.600 1.600 peak 303 spectrum 1 weight 0.11000E+01 volume 0.26397E-02 ppm1 8.442 ppm2 1.896 CV 1 ASSI { 304} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA )) 3.900 1.900 1.900 peak 304 spectrum 1 weight 0.11000E+01 volume 0.47884E-03 ppm1 8.437 ppm2 4.042 CV 1 ASSI { 305} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB1 )) 2.600 0.800 0.800 peak 305 spectrum 1 weight 0.11000E+01 volume 0.26397E-02 ppm1 8.442 ppm2 1.908 CV 1 ASSI { 306} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HD1 )) 4.000 2.000 2.000 peak 306 spectrum 1 weight 0.11000E+01 volume 0.44808E-03 ppm1 8.441 ppm2 3.226 CV 1 ASSI { 307} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HG2 )) 4.200 4.200 1.800 peak 307 spectrum 1 weight 0.11000E+01 volume 0.93885E-03 ppm1 8.434 ppm2 1.493 CV 1 ASSI { 308} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HN )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.11000E+01 volume 0.27401E-02 ppm1 8.439 ppm2 8.079 CV 1 ASSI { 309} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 2.900 1.100 1.100 peak 309 spectrum 1 weight 0.11000E+01 volume 0.18615E-02 ppm1 8.444 ppm2 3.847 CV 1 ASSI { 310} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB1 )) 3.400 1.500 1.500 peak 310 spectrum 1 weight 0.11000E+01 volume 0.25931E-02 ppm1 8.443 ppm2 2.746 CV 1 ASSI { 311} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.500 2.500 3.500 peak 311 spectrum 1 weight 0.11000E+01 volume 0.36235E-02 ppm1 8.449 ppm2 2.586 CV 1 ASSI { 312} (( segid " " and resid 148 and name HN )) ( segid " " and resid 148 and name HD% ) 3.700 1.700 1.700 peak 312 spectrum 1 weight 0.11000E+01 volume 0.16105E-02 ppm1 8.435 ppm2 6.870 CV 1 ASSI { 313} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HN )) 3.200 1.300 1.300 peak 313 spectrum 1 weight 0.11000E+01 volume 0.11904E-02 ppm1 8.442 ppm2 8.850 CV 1 ASSI { 314} (( segid " " and resid 148 and name HN )) (( segid " " and resid 151 and name HB1 )) 5.000 3.200 1.000 peak 314 spectrum 1 weight 0.11000E+01 volume 0.42509E-03 ppm1 8.444 ppm2 1.989 CV 1 ASSI { 315} (( segid " " and resid 149 and name HN )) (( segid " " and resid 140 and name HZ )) 4.700 2.700 1.300 peak 315 spectrum 1 weight 0.11000E+01 volume 0.10177E-02 ppm1 8.832 ppm2 7.293 CV 1 ASSI { 316} (( segid " " and resid 149 and name HN )) (( segid " " and resid 145 and name HA )) 3.400 1.400 1.400 peak 316 spectrum 1 weight 0.11000E+01 volume 0.17064E-02 ppm1 8.834 ppm2 3.527 CV 1 ASSI { 317} (( segid " " and resid 149 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.000 3.000 3.000 peak 317 spectrum 1 weight 0.11000E+01 volume 0.30958E-02 ppm1 8.827 ppm2 1.902 CV 1 ASSI { 318} (( segid " " and resid 149 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.900 1.900 1.900 peak 318 spectrum 1 weight 0.11000E+01 volume 0.10690E-02 ppm1 8.833 ppm2 2.739 CV 1 ASSI { 319} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 3.900 1.900 1.900 peak 319 spectrum 1 weight 0.11000E+01 volume 0.43716E-03 ppm1 8.832 ppm2 3.850 CV 1 ASSI { 320} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB2 )) 3.200 1.300 1.300 peak 320 spectrum 1 weight 0.11000E+01 volume 0.10053E-02 ppm1 8.833 ppm2 2.565 CV 1 ASSI { 321} (( segid " " and resid 149 and name HN )) ( segid " " and resid 148 and name HD% ) 3.800 1.800 1.800 peak 321 spectrum 1 weight 0.11000E+01 volume 0.13199E-02 ppm1 8.833 ppm2 6.862 CV 1 ASSI { 322} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 2.900 1.000 1.000 peak 322 spectrum 1 weight 0.11000E+01 volume 0.12548E-02 ppm1 8.831 ppm2 4.266 CV 1 ASSI { 323} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB1 )) 2.200 0.600 0.600 peak 323 spectrum 1 weight 0.11000E+01 volume 0.50909E-02 ppm1 8.830 ppm2 3.221 CV 1 ASSI { 324} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HN )) 3.200 1.200 1.200 peak 324 spectrum 1 weight 0.11000E+01 volume 0.11246E-02 ppm1 8.833 ppm2 7.667 CV 1 ASSI { 325} (( segid " " and resid 149 and name HN )) ( segid " " and resid 204 and name HD1%) 3.300 1.300 1.300 peak 325 spectrum 1 weight 0.11000E+01 volume 0.16846E-02 ppm1 8.827 ppm2 0.675 CV 1 ASSI { 326} (( segid " " and resid 149 and name HN )) (( segid " " and resid 204 and name HG11)) 5.000 5.000 1.000 peak 326 spectrum 1 weight 0.11000E+01 volume 0.42660E-03 ppm1 8.796 ppm2 1.602 CV 1 ASSI { 327} (( segid " " and resid 149 and name HN )) ( segid " " and resid 204 and name HG2%) 6.000 5.000 0.000 peak 327 spectrum 1 weight 0.11000E+01 volume 0.19521E-04 ppm1 8.822 ppm2 0.799 CV 1 ASSI { 328} (( segid " " and resid 149 and name HN )) (( segid " " and resid 204 and name HN )) 4.300 4.300 1.700 peak 328 spectrum 1 weight 0.11000E+01 volume 0.16544E-02 ppm1 8.826 ppm2 7.985 CV 1 ASSI { 330} (( segid " " and resid 150 and name HE )) (( segid " " and resid 150 and name HD1 )) 2.500 0.800 0.800 peak 330 spectrum 1 weight 0.11000E+01 volume 0.62300E-02 ppm1 7.442 ppm2 3.240 CV 1 ASSI { 331} (( segid " " and resid 150 and name HE )) (( segid " " and resid 150 and name HG1 )) 2.900 1.100 1.100 peak 331 spectrum 1 weight 0.11000E+01 volume 0.14139E-02 ppm1 7.442 ppm2 1.917 CV 1 ASSI { 332} (( segid " " and resid 150 and name HE )) (( segid " " and resid 150 and name HN )) 4.700 2.700 1.300 peak 332 spectrum 1 weight 0.11000E+01 volume 0.20101E-02 ppm1 7.444 ppm2 7.639 CV 1 ASSI { 333} (( segid " " and resid 150 and name HE )) (( segid " " and resid 153 and name HB1 )) 4.100 2.100 1.900 peak 333 spectrum 1 weight 0.11000E+01 volume 0.61942E-03 ppm1 7.444 ppm2 1.723 CV 1 ASSI { 334} (( segid " " and resid 150 and name HN )) (( segid " " and resid 147 and name HA )) 3.600 1.600 1.600 peak 334 spectrum 1 weight 0.11000E+01 volume 0.80120E-03 ppm1 7.649 ppm2 3.999 CV 1 ASSI { 335} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HA )) 2.600 0.900 0.900 peak 335 spectrum 1 weight 0.11000E+01 volume 0.33572E-02 ppm1 7.645 ppm2 4.288 CV 1 ASSI { 337} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 2.800 1.000 1.000 peak 337 spectrum 1 weight 0.11000E+01 volume 0.29866E-02 ppm1 7.642 ppm2 3.677 CV 1 ASSI { 338} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB1 )) 2.000 0.500 0.500 peak 338 spectrum 1 weight 0.11000E+01 volume 0.89266E-02 ppm1 7.642 ppm2 1.925 CV 1 ASSI { 339} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD1 )) 4.300 2.300 1.700 peak 339 spectrum 1 weight 0.11000E+01 volume 0.23767E-02 ppm1 7.649 ppm2 3.260 CV 1 ASSI { 340} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD2 )) 3.800 1.800 1.800 peak 340 spectrum 1 weight 0.11000E+01 volume 0.28928E-02 ppm1 7.645 ppm2 3.219 CV 1 ASSI { 341} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HB1 )) 3.300 3.300 2.700 peak 341 spectrum 1 weight 0.11000E+01 volume 0.44741E-02 ppm1 7.644 ppm2 1.979 CV 1 ASSI { 342} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HG1 )) 4.400 2.400 1.600 peak 342 spectrum 1 weight 0.11000E+01 volume 0.67330E-03 ppm1 7.646 ppm2 2.194 CV 1 ASSI { 343} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HN )) 2.700 0.900 0.900 peak 343 spectrum 1 weight 0.11000E+01 volume 0.20973E-02 ppm1 7.647 ppm2 7.966 CV 1 ASSI { 344} (( segid " " and resid 151 and name HN )) (( segid " " and resid 148 and name HA )) 4.200 2.200 1.800 peak 344 spectrum 1 weight 0.11000E+01 volume 0.46306E-03 ppm1 7.951 ppm2 3.844 CV 1 ASSI { 345} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB1 )) 2.500 2.500 3.500 peak 345 spectrum 1 weight 0.11000E+01 volume 0.79049E-02 ppm1 7.953 ppm2 1.954 CV 1 ASSI { 346} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HG1 )) 2.200 0.600 0.600 peak 346 spectrum 1 weight 0.11000E+01 volume 0.79049E-02 ppm1 7.954 ppm2 1.917 CV 1 ASSI { 347} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 2.800 1.000 1.000 peak 347 spectrum 1 weight 0.11000E+01 volume 0.26715E-02 ppm1 7.951 ppm2 4.104 CV 1 ASSI { 348} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB2 )) 3.500 1.500 1.500 peak 348 spectrum 1 weight 0.11000E+01 volume 0.18616E-02 ppm1 7.952 ppm2 2.245 CV 1 ASSI { 349} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG1 )) 3.000 1.100 1.100 peak 349 spectrum 1 weight 0.11000E+01 volume 0.12649E-02 ppm1 7.965 ppm2 2.212 CV 1 ASSI { 350} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG2 )) 2.600 0.900 0.900 peak 350 spectrum 1 weight 0.11000E+01 volume 0.29278E-02 ppm1 7.952 ppm2 2.439 CV 1 ASSI { 351} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HB2 )) 5.400 3.700 0.600 peak 351 spectrum 1 weight 0.11000E+01 volume 0.65925E-03 ppm1 7.966 ppm2 2.289 CV 1 ASSI { 353} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HA )) 4.900 4.900 1.100 peak 353 spectrum 1 weight 0.11000E+01 volume 0.66594E-03 ppm1 7.954 ppm2 3.700 CV 1 ASSI { 354} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.000 3.000 3.000 peak 354 spectrum 1 weight 0.11000E+01 volume 0.90471E-02 ppm1 7.953 ppm2 1.880 CV 1 ASSI { 355} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HN )) 3.600 1.600 1.600 peak 355 spectrum 1 weight 0.11000E+01 volume 0.13636E-02 ppm1 7.951 ppm2 7.520 CV 1 ASSI { 356} (( segid " " and resid 151 and name HN )) (( segid " " and resid 155 and name HD2 )) 6.000 5.100 0.000 peak 356 spectrum 1 weight 0.11000E+01 volume 0.10153E-03 ppm1 7.967 ppm2 3.226 CV 1 ASSI { 357} (( segid " " and resid 151 and name HN )) (( segid " " and resid 155 and name HN )) 3.700 3.700 2.300 peak 357 spectrum 1 weight 0.11000E+01 volume 0.31945E-02 ppm1 7.953 ppm2 7.600 CV 1 ASSI { 358} (( segid " " and resid 152 and name HD21)) (( segid " " and resid 148 and name HA )) 5.200 3.400 0.800 peak 358 spectrum 1 weight 0.11000E+01 volume 0.28681E-03 ppm1 6.765 ppm2 3.850 CV 1 ASSI { 359} (( segid " " and resid 152 and name HD21)) (( segid " " and resid 152 and name HB2 )) 4.500 2.500 1.500 peak 359 spectrum 1 weight 0.11000E+01 volume 0.45103E-03 ppm1 6.763 ppm2 2.277 CV 1 ASSI { 361} (( segid " " and resid 152 and name HD21)) (( segid " " and resid 153 and name HB2 )) 3.700 1.700 1.700 peak 361 spectrum 1 weight 0.11000E+01 volume 0.36567E-03 ppm1 6.757 ppm2 1.884 CV 1 ASSI { 362} (( segid " " and resid 152 and name HD22)) (( segid " " and resid 152 and name HB2 )) 4.700 2.800 1.300 peak 362 spectrum 1 weight 0.11000E+01 volume 0.56855E-03 ppm1 6.554 ppm2 2.291 CV 1 ASSI { 363} (( segid " " and resid 152 and name HD22)) (( segid " " and resid 152 and name HD21)) 2.400 0.700 0.700 peak 363 spectrum 1 weight 0.11000E+01 volume 0.10487E-02 ppm1 6.532 ppm2 6.751 CV 1 ASSI { 364} (( segid " " and resid 152 and name HD22)) (( segid " " and resid 153 and name HB2 )) 3.700 1.800 1.800 peak 364 spectrum 1 weight 0.11000E+01 volume 0.38837E-03 ppm1 6.551 ppm2 1.877 CV 1 ASSI { 365} (( segid " " and resid 152 and name HN )) (( segid " " and resid 149 and name HA )) 4.400 2.400 1.600 peak 365 spectrum 1 weight 0.11000E+01 volume 0.24033E-03 ppm1 7.552 ppm2 4.275 CV 1 ASSI { 366} (( segid " " and resid 152 and name HN )) (( segid " " and resid 149 and name HB1 )) 4.900 4.900 1.100 peak 366 spectrum 1 weight 0.11000E+01 volume 0.41662E-03 ppm1 7.602 ppm2 3.232 CV 1 ASSI { 367} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HA )) 4.400 2.400 1.600 peak 367 spectrum 1 weight 0.11000E+01 volume 0.34229E-03 ppm1 7.550 ppm2 3.692 CV 1 ASSI { 368} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HB2 )) 5.300 3.600 0.700 peak 368 spectrum 1 weight 0.11000E+01 volume 0.37692E-03 ppm1 7.564 ppm2 2.171 CV 1 ASSI { 369} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 3.900 1.900 1.900 peak 369 spectrum 1 weight 0.11000E+01 volume 0.57617E-03 ppm1 7.558 ppm2 4.102 CV 1 ASSI { 370} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB1 )) 5.800 4.300 0.200 peak 370 spectrum 1 weight 0.11000E+01 volume 0.12990E-03 ppm1 7.573 ppm2 1.994 CV 1 ASSI { 371} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HN )) 2.300 0.700 0.700 peak 371 spectrum 1 weight 0.11000E+01 volume 0.25815E-02 ppm1 7.558 ppm2 7.970 CV 1 ASSI { 372} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.700 0.900 0.900 peak 372 spectrum 1 weight 0.11000E+01 volume 0.16689E-02 ppm1 7.558 ppm2 4.628 CV 1 ASSI { 373} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB1 )) 2.600 0.900 0.900 peak 373 spectrum 1 weight 0.11000E+01 volume 0.84855E-03 ppm1 7.541 ppm2 2.349 CV 1 ASSI { 374} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB2 )) 3.200 1.300 1.300 peak 374 spectrum 1 weight 0.11000E+01 volume 0.27083E-02 ppm1 7.559 ppm2 2.281 CV 1 ASSI { 375} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HD21)) 3.300 1.300 1.300 peak 375 spectrum 1 weight 0.11000E+01 volume 0.11481E-02 ppm1 7.555 ppm2 6.782 CV 1 ASSI { 376} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HD22)) 5.000 3.100 1.000 peak 376 spectrum 1 weight 0.11000E+01 volume 0.55427E-03 ppm1 7.558 ppm2 6.566 CV 1 ASSI { 377} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HA )) 4.700 2.800 1.300 peak 377 spectrum 1 weight 0.11000E+01 volume 0.43823E-03 ppm1 7.563 ppm2 3.691 CV 1 ASSI { 378} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.500 1.600 1.600 peak 378 spectrum 1 weight 0.11000E+01 volume 0.25007E-02 ppm1 7.558 ppm2 1.900 CV 1 ASSI { 379} (( segid " " and resid 153 and name HN )) (( segid " " and resid 135 and name HG2 )) 4.800 2.800 1.200 peak 379 spectrum 1 weight 0.11000E+01 volume 0.81857E-03 ppm1 7.510 ppm2 1.812 CV 1 ASSI { 380} (( segid " " and resid 153 and name HN )) (( segid " " and resid 150 and name HG2 )) 2.000 2.000 4.000 peak 380 spectrum 1 weight 0.11000E+01 volume 0.23739E-02 ppm1 7.505 ppm2 1.682 CV 1 ASSI { 381} (( segid " " and resid 153 and name HN )) (( segid " " and resid 151 and name HB2 )) 4.800 2.900 1.200 peak 381 spectrum 1 weight 0.11000E+01 volume 0.35030E-03 ppm1 7.522 ppm2 2.234 CV 1 ASSI { 382} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 3.200 1.300 1.300 peak 382 spectrum 1 weight 0.11000E+01 volume 0.87562E-03 ppm1 7.506 ppm2 4.630 CV 1 ASSI { 383} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB1 )) 4.000 2.000 2.000 peak 383 spectrum 1 weight 0.11000E+01 volume 0.40507E-03 ppm1 7.503 ppm2 2.343 CV 1 ASSI { 384} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB2 )) 4.300 2.300 1.700 peak 384 spectrum 1 weight 0.11000E+01 volume 0.55169E-03 ppm1 7.492 ppm2 2.252 CV 1 ASSI { 385} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 2.900 1.000 1.000 peak 385 spectrum 1 weight 0.11000E+01 volume 0.27444E-02 ppm1 7.506 ppm2 3.690 CV 1 ASSI { 386} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.000 1.200 1.200 peak 386 spectrum 1 weight 0.11000E+01 volume 0.20282E-02 ppm1 7.506 ppm2 1.885 CV 1 ASSI { 387} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HG2 )) 3.900 1.900 1.900 peak 387 spectrum 1 weight 0.11000E+01 volume 0.20033E-02 ppm1 7.505 ppm2 2.126 CV 1 ASSI { 388} (( segid " " and resid 153 and name HN )) (( segid " " and resid 156 and name HN )) 5.700 4.000 0.300 peak 388 spectrum 1 weight 0.11000E+01 volume 0.10399E-03 ppm1 7.501 ppm2 7.340 CV 1 ASSI { 389} (( segid " " and resid 154 and name HN )) (( segid " " and resid 152 and name HA )) 4.500 2.500 1.500 peak 389 spectrum 1 weight 0.11000E+01 volume 0.36200E-03 ppm1 7.626 ppm2 4.626 CV 1 ASSI { 390} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 4.000 2.000 2.000 peak 390 spectrum 1 weight 0.11000E+01 volume 0.44623E-03 ppm1 7.630 ppm2 3.707 CV 1 ASSI { 391} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB1 )) 3.900 1.900 1.900 peak 391 spectrum 1 weight 0.11000E+01 volume 0.38703E-03 ppm1 7.631 ppm2 1.692 CV 1 ASSI { 392} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 4.000 2.000 2.000 peak 392 spectrum 1 weight 0.11000E+01 volume 0.12397E-02 ppm1 7.634 ppm2 1.882 CV 1 ASSI { 393} (( segid " " and resid 154 and name HN )) ( segid " " and resid 153 and name HE% ) 3.600 1.600 1.600 peak 393 spectrum 1 weight 0.11000E+01 volume 0.65198E-03 ppm1 7.635 ppm2 1.824 CV 1 ASSI { 394} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HG2 )) 4.300 2.300 1.700 peak 394 spectrum 1 weight 0.11000E+01 volume 0.57456E-03 ppm1 7.630 ppm2 2.140 CV 1 ASSI { 395} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HN )) 3.400 1.500 1.500 peak 395 spectrum 1 weight 0.11000E+01 volume 0.55295E-03 ppm1 7.633 ppm2 7.502 CV 1 ASSI { 396} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 3.000 1.100 1.100 peak 396 spectrum 1 weight 0.11000E+01 volume 0.24720E-02 ppm1 7.633 ppm2 4.216 CV 1 ASSI { 397} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB1 )) 3.100 3.100 2.900 peak 397 spectrum 1 weight 0.11000E+01 volume 0.29872E-02 ppm1 7.633 ppm2 2.996 CV 1 ASSI { 398} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB2 )) 2.600 0.800 0.800 peak 398 spectrum 1 weight 0.11000E+01 volume 0.27672E-02 ppm1 7.634 ppm2 2.972 CV 1 ASSI { 399} (( segid " " and resid 154 and name HN )) ( segid " " and resid 154 and name HD% ) 3.800 1.800 1.800 peak 399 spectrum 1 weight 0.11000E+01 volume 0.17232E-02 ppm1 7.612 ppm2 7.082 CV 1 ASSI { 400} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HD1 )) 3.700 3.700 2.300 peak 400 spectrum 1 weight 0.11000E+01 volume 0.29689E-02 ppm1 7.630 ppm2 3.084 CV 1 ASSI { 401} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HE )) 4.400 2.400 1.600 peak 401 spectrum 1 weight 0.11000E+01 volume 0.53295E-03 ppm1 7.641 ppm2 6.884 CV 1 ASSI { 403} (( segid " " and resid 155 and name HE )) (( segid " " and resid 152 and name HD21)) 4.500 2.500 1.500 peak 403 spectrum 1 weight 0.11000E+01 volume 0.79684E-03 ppm1 6.882 ppm2 6.737 CV 1 ASSI { 404} (( segid " " and resid 155 and name HE )) ( segid " " and resid 153 and name HE% ) 2.100 2.100 3.900 peak 404 spectrum 1 weight 0.11000E+01 volume 0.15448E-02 ppm1 6.881 ppm2 1.843 CV 1 ASSI { 405} (( segid " " and resid 155 and name HE )) (( segid " " and resid 155 and name HD1 )) 3.000 1.100 1.100 peak 405 spectrum 1 weight 0.11000E+01 volume 0.17677E-02 ppm1 6.881 ppm2 3.100 CV 1 ASSI { 407} (( segid " " and resid 155 and name HN )) (( segid " " and resid 153 and name HA )) 4.700 2.800 1.300 peak 407 spectrum 1 weight 0.11000E+01 volume 0.19881E-03 ppm1 7.612 ppm2 3.693 CV 1 ASSI { 408} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 3.800 1.800 1.800 peak 408 spectrum 1 weight 0.11000E+01 volume 0.49381E-03 ppm1 7.602 ppm2 4.221 CV 1 ASSI { 409} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB1 )) 2.900 1.100 1.100 peak 409 spectrum 1 weight 0.11000E+01 volume 0.11672E-02 ppm1 7.602 ppm2 3.040 CV 1 ASSI { 410} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB2 )) 6.000 4.700 0.000 peak 410 spectrum 1 weight 0.11000E+01 volume 0.39623E-04 ppm1 7.611 ppm2 2.956 CV 1 ASSI { 411} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 3.000 1.100 1.100 peak 411 spectrum 1 weight 0.11000E+01 volume 0.17337E-02 ppm1 7.604 ppm2 4.064 CV 1 ASSI { 412} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB1 )) 3.100 1.200 1.200 peak 412 spectrum 1 weight 0.11000E+01 volume 0.16496E-02 ppm1 7.606 ppm2 1.811 CV 1 ASSI { 413} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HD1 )) 4.300 4.300 1.700 peak 413 spectrum 1 weight 0.11000E+01 volume 0.91487E-03 ppm1 7.611 ppm2 3.149 CV 1 ASSI { 414} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HG1 )) 3.200 3.200 2.800 peak 414 spectrum 1 weight 0.11000E+01 volume 0.33705E-02 ppm1 7.605 ppm2 1.238 CV 1 ASSI { 415} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HB1 )) 6.000 4.500 0.000 peak 415 spectrum 1 weight 0.11000E+01 volume 0.30283E-03 ppm1 7.598 ppm2 3.191 CV 1 ASSI { 416} (( segid " " and resid 155 and name HN )) ( segid " " and resid 156 and name HD% ) 5.300 5.300 0.700 peak 416 spectrum 1 weight 0.11000E+01 volume 0.51612E-03 ppm1 7.605 ppm2 7.077 CV 1 ASSI { 417} (( segid " " and resid 155 and name HN )) ( segid " " and resid 156 and name HE% ) 4.900 4.900 1.100 peak 417 spectrum 1 weight 0.11000E+01 volume 0.92984E-03 ppm1 7.604 ppm2 7.811 CV 1 ASSI { 418} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HN )) 2.900 1.000 1.000 peak 418 spectrum 1 weight 0.11000E+01 volume 0.35105E-02 ppm1 7.604 ppm2 7.342 CV 1 ASSI { 419} (( segid " " and resid 156 and name HN )) (( segid " " and resid 153 and name HA )) 3.800 1.800 1.800 peak 419 spectrum 1 weight 0.11000E+01 volume 0.43124E-03 ppm1 7.331 ppm2 3.689 CV 1 ASSI { 420} (( segid " " and resid 156 and name HN )) ( segid " " and resid 153 and name HE% ) 2.500 2.500 3.500 peak 420 spectrum 1 weight 0.11000E+01 volume 0.59011E-03 ppm1 7.331 ppm2 1.822 CV 1 ASSI { 421} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HA )) 5.100 3.200 0.900 peak 421 spectrum 1 weight 0.11000E+01 volume 0.31667E-03 ppm1 7.327 ppm2 4.237 CV 1 ASSI { 422} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HB1 )) 3.900 1.900 1.900 peak 422 spectrum 1 weight 0.11000E+01 volume 0.31618E-02 ppm1 7.330 ppm2 3.029 CV 1 ASSI { 423} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HN )) 3.400 1.400 1.400 peak 423 spectrum 1 weight 0.11000E+01 volume 0.38836E-02 ppm1 7.331 ppm2 7.627 CV 1 ASSI { 424} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HA )) 3.800 1.800 1.800 peak 424 spectrum 1 weight 0.11000E+01 volume 0.82993E-03 ppm1 7.329 ppm2 4.055 CV 1 ASSI { 425} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HD2 )) 3.800 1.800 1.800 peak 425 spectrum 1 weight 0.11000E+01 volume 0.23892E-02 ppm1 7.330 ppm2 3.212 CV 1 ASSI { 426} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HE )) 5.100 3.300 0.900 peak 426 spectrum 1 weight 0.11000E+01 volume 0.43909E-03 ppm1 7.330 ppm2 6.896 CV 1 ASSI { 427} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HG1 )) 2.200 2.200 3.800 peak 427 spectrum 1 weight 0.11000E+01 volume 0.86216E-03 ppm1 7.333 ppm2 1.234 CV 1 ASSI { 428} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 2.900 2.900 3.100 peak 428 spectrum 1 weight 0.11000E+01 volume 0.12595E-02 ppm1 7.331 ppm2 4.947 CV 1 ASSI { 429} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB1 )) 3.200 1.300 1.300 peak 429 spectrum 1 weight 0.11000E+01 volume 0.15345E-02 ppm1 7.344 ppm2 3.173 CV 1 ASSI { 430} (( segid " " and resid 156 and name HN )) ( segid " " and resid 156 and name HD% ) 3.100 1.200 1.200 peak 430 spectrum 1 weight 0.11000E+01 volume 0.15341E-02 ppm1 7.331 ppm2 7.045 CV 1 ASSI { 432} (( segid " " and resid 158 and name HN )) (( segid " " and resid 132 and name HA )) 3.600 1.700 1.700 peak 432 spectrum 1 weight 0.11000E+01 volume 0.22406E-02 ppm1 8.500 ppm2 4.378 CV 1 ASSI { 433} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HB1 )) 4.400 2.400 1.600 peak 433 spectrum 1 weight 0.11000E+01 volume 0.10480E-02 ppm1 8.501 ppm2 2.325 CV 1 ASSI { 434} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HG1 )) 4.700 2.800 1.300 peak 434 spectrum 1 weight 0.11000E+01 volume 0.10010E-02 ppm1 8.495 ppm2 1.772 CV 1 ASSI { 435} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 3.200 1.300 1.300 peak 435 spectrum 1 weight 0.11000E+01 volume 0.97470E-03 ppm1 8.494 ppm2 4.754 CV 1 ASSI { 436} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB1 )) 3.700 1.700 1.700 peak 436 spectrum 1 weight 0.11000E+01 volume 0.58883E-03 ppm1 8.512 ppm2 2.427 CV 1 ASSI { 437} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 4.000 2.000 2.000 peak 437 spectrum 1 weight 0.11000E+01 volume 0.27938E-03 ppm1 8.485 ppm2 3.665 CV 1 ASSI { 438} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HA )) 5.600 4.000 0.400 peak 438 spectrum 1 weight 0.11000E+01 volume 0.13232E-03 ppm1 8.491 ppm2 4.585 CV 1 ASSI { 439} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HG1 )) 3.300 1.400 1.400 peak 439 spectrum 1 weight 0.11000E+01 volume 0.23018E-02 ppm1 8.489 ppm2 2.389 CV 1 OR { 439} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HG2 )) ASSI { 440} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HN )) 2.400 0.700 0.700 peak 440 spectrum 1 weight 0.11000E+01 volume 0.52675E-02 ppm1 8.492 ppm2 7.209 CV 1 ASSI { 441} (( segid " " and resid 159 and name HN )) ( segid " " and resid 133 and name HE% ) 3.700 1.700 1.700 peak 441 spectrum 1 weight 0.11000E+01 volume 0.11660E-02 ppm1 7.200 ppm2 1.884 CV 1 ASSI { 442} (( segid " " and resid 159 and name HN )) (( segid " " and resid 157 and name HA )) 4.000 2.000 2.000 peak 442 spectrum 1 weight 0.11000E+01 volume 0.19079E-02 ppm1 7.196 ppm2 4.417 CV 1 ASSI { 443} (( segid " " and resid 159 and name HN )) (( segid " " and resid 157 and name HG1 )) 3.900 1.900 1.900 peak 443 spectrum 1 weight 0.11000E+01 volume 0.17832E-02 ppm1 7.197 ppm2 1.726 CV 1 ASSI { 444} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) 3.300 1.400 1.400 peak 444 spectrum 1 weight 0.11000E+01 volume 0.77221E-03 ppm1 7.195 ppm2 4.749 CV 1 ASSI { 445} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB1 )) 5.700 4.100 0.300 peak 445 spectrum 1 weight 0.11000E+01 volume 0.11416E-03 ppm1 7.212 ppm2 2.460 CV 1 ASSI { 447} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HA )) 2.900 1.000 1.000 peak 447 spectrum 1 weight 0.11000E+01 volume 0.17040E-02 ppm1 7.196 ppm2 4.602 CV 1 ASSI { 448} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) 4.100 2.100 1.900 peak 448 spectrum 1 weight 0.11000E+01 volume 0.61620E-03 ppm1 7.201 ppm2 2.127 CV 1 ASSI { 449} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HG1 )) 3.000 1.100 1.100 peak 449 spectrum 1 weight 0.11000E+01 volume 0.18302E-02 ppm1 7.197 ppm2 2.377 CV 1 OR { 449} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HG2 )) ASSI { 450} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HN )) 3.200 1.300 1.300 peak 450 spectrum 1 weight 0.11000E+01 volume 0.30605E-02 ppm1 7.198 ppm2 8.517 CV 1 ASSI { 451} (( segid " " and resid 160 and name HN )) (( segid " " and resid 129 and name HA )) 3.300 1.400 1.400 peak 451 spectrum 1 weight 0.11000E+01 volume 0.16974E-02 ppm1 8.510 ppm2 4.530 CV 1 ASSI { 452} (( segid " " and resid 160 and name HN )) (( segid " " and resid 129 and name HB1 )) 4.200 2.200 1.800 peak 452 spectrum 1 weight 0.11000E+01 volume 0.66017E-03 ppm1 8.509 ppm2 1.668 CV 1 ASSI { 453} (( segid " " and resid 160 and name HN )) (( segid " " and resid 130 and name HA1 )) 4.200 2.200 1.800 peak 453 spectrum 1 weight 0.11000E+01 volume 0.26087E-03 ppm1 8.516 ppm2 4.422 CV 1 ASSI { 455} (( segid " " and resid 160 and name HN )) (( segid " " and resid 131 and name HN )) 4.500 2.500 1.500 peak 455 spectrum 1 weight 0.11000E+01 volume 0.31666E-03 ppm1 8.509 ppm2 8.330 CV 1 ASSI { 456} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) 2.500 0.800 0.800 peak 456 spectrum 1 weight 0.11000E+01 volume 0.36329E-02 ppm1 8.511 ppm2 4.601 CV 1 ASSI { 457} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB2 )) 3.200 1.300 1.300 peak 457 spectrum 1 weight 0.11000E+01 volume 0.82540E-03 ppm1 8.506 ppm2 2.159 CV 1 ASSI { 459} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 3.100 1.200 1.200 peak 459 spectrum 1 weight 0.11000E+01 volume 0.69491E-03 ppm1 8.508 ppm2 4.909 CV 1 ASSI { 460} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HG1%) 3.500 1.500 1.500 peak 460 spectrum 1 weight 0.11000E+01 volume 0.15921E-02 ppm1 8.509 ppm2 0.950 CV 1 ASSI { 461} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HG2%) 2.700 0.900 0.900 peak 461 spectrum 1 weight 0.11000E+01 volume 0.24108E-02 ppm1 8.511 ppm2 0.748 CV 1 ASSI { 462} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HB1 )) 5.100 5.100 0.900 peak 462 spectrum 1 weight 0.11000E+01 volume 0.34566E-03 ppm1 8.507 ppm2 2.604 CV 1 ASSI { 463} (( segid " " and resid 161 and name HN )) (( segid " " and resid 129 and name HA )) 5.200 3.400 0.800 peak 463 spectrum 1 weight 0.11000E+01 volume 0.24588E-03 ppm1 8.419 ppm2 4.514 CV 1 ASSI { 464} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HA )) 2.800 1.000 1.000 peak 464 spectrum 1 weight 0.11000E+01 volume 0.21083E-02 ppm1 8.423 ppm2 4.902 CV 1 ASSI { 465} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB )) 2.400 0.700 0.700 peak 465 spectrum 1 weight 0.11000E+01 volume 0.41921E-02 ppm1 8.425 ppm2 2.622 CV 1 ASSI { 466} (( segid " " and resid 161 and name HN )) ( segid " " and resid 160 and name HG1%) 3.900 1.900 1.900 peak 466 spectrum 1 weight 0.11000E+01 volume 0.75744E-03 ppm1 8.421 ppm2 0.958 CV 1 ASSI { 467} (( segid " " and resid 161 and name HN )) ( segid " " and resid 160 and name HG2%) 5.100 3.200 0.900 peak 467 spectrum 1 weight 0.11000E+01 volume 0.34092E-03 ppm1 8.417 ppm2 0.750 CV 1 ASSI { 468} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HA )) 4.000 2.000 2.000 peak 468 spectrum 1 weight 0.11000E+01 volume 0.25915E-03 ppm1 8.418 ppm2 5.575 CV 1 ASSI { 469} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB2 )) 2.200 2.200 3.800 peak 469 spectrum 1 weight 0.11000E+01 volume 0.58654E-02 ppm1 8.433 ppm2 2.588 CV 1 ASSI { 470} (( segid " " and resid 161 and name HN )) ( segid " " and resid 161 and name HE% ) 4.600 2.600 1.400 peak 470 spectrum 1 weight 0.11000E+01 volume 0.78216E-03 ppm1 8.424 ppm2 6.338 CV 1 ASSI { 471} (( segid " " and resid 161 and name HN )) (( segid " " and resid 181 and name HG12)) 4.000 4.000 2.000 peak 471 spectrum 1 weight 0.11000E+01 volume 0.75744E-03 ppm1 8.425 ppm2 0.957 CV 1 ASSI { 472} (( segid " " and resid 161 and name HN )) (( segid " " and resid 182 and name HA )) 5.300 3.600 0.700 peak 472 spectrum 1 weight 0.11000E+01 volume 0.14195E-03 ppm1 8.425 ppm2 4.081 CV 1 ASSI { 473} (( segid " " and resid 161 and name HN )) (( segid " " and resid 182 and name HG1 )) 3.000 1.200 1.200 peak 473 spectrum 1 weight 0.11000E+01 volume 0.10920E-02 ppm1 8.426 ppm2 1.510 CV 1 ASSI { 474} (( segid " " and resid 161 and name HN )) (( segid " " and resid 182 and name HN )) 3.200 1.300 1.300 peak 474 spectrum 1 weight 0.11000E+01 volume 0.15714E-02 ppm1 8.425 ppm2 8.096 CV 1 ASSI { 475} (( segid " " and resid 162 and name HN )) (( segid " " and resid 127 and name HB1 )) 3.400 1.500 1.500 peak 475 spectrum 1 weight 0.11000E+01 volume 0.73628E-03 ppm1 8.574 ppm2 2.880 CV 1 ASSI { 476} (( segid " " and resid 162 and name HN )) (( segid " " and resid 128 and name HA )) 3.800 1.800 1.800 peak 476 spectrum 1 weight 0.11000E+01 volume 0.92028E-03 ppm1 8.578 ppm2 4.504 CV 1 ASSI { 477} (( segid " " and resid 162 and name HN )) (( segid " " and resid 128 and name HB2 )) 4.700 4.700 1.300 peak 477 spectrum 1 weight 0.11000E+01 volume 0.47406E-03 ppm1 8.576 ppm2 1.071 CV 1 ASSI { 478} (( segid " " and resid 162 and name HN )) (( segid " " and resid 128 and name HN )) 3.100 1.200 1.200 peak 478 spectrum 1 weight 0.11000E+01 volume 0.13245E-02 ppm1 8.582 ppm2 9.114 CV 1 ASSI { 479} (( segid " " and resid 162 and name HN )) (( segid " " and resid 129 and name HA )) 4.400 2.500 1.600 peak 479 spectrum 1 weight 0.11000E+01 volume 0.36868E-03 ppm1 8.590 ppm2 4.522 CV 1 ASSI { 480} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) 2.500 0.800 0.800 peak 480 spectrum 1 weight 0.11000E+01 volume 0.38743E-02 ppm1 8.581 ppm2 5.577 CV 1 ASSI { 481} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB1 )) 3.700 1.700 1.700 peak 481 spectrum 1 weight 0.11000E+01 volume 0.10957E-02 ppm1 8.581 ppm2 2.595 CV 1 ASSI { 483} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA )) 3.200 1.300 1.300 peak 483 spectrum 1 weight 0.11000E+01 volume 0.77169E-03 ppm1 8.602 ppm2 4.854 CV 1 ASSI { 484} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB1 )) 3.400 1.400 1.400 peak 484 spectrum 1 weight 0.11000E+01 volume 0.80026E-03 ppm1 8.587 ppm2 2.910 CV 1 ASSI { 485} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD% ) 3.100 1.200 1.200 peak 485 spectrum 1 weight 0.11000E+01 volume 0.16233E-02 ppm1 8.580 ppm2 7.193 CV 1 ASSI { 486} (( segid " " and resid 162 and name HN )) (( segid " " and resid 181 and name HG12)) 6.000 6.000 0.000 peak 486 spectrum 1 weight 0.11000E+01 volume 0.48152E-04 ppm1 8.587 ppm2 0.984 CV 1 ASSI { 488} (( segid " " and resid 163 and name HN )) (( segid " " and resid 128 and name HB2 )) 6.000 4.700 0.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.23637E-03 ppm1 7.931 ppm2 1.062 CV 1 ASSI { 489} (( segid " " and resid 163 and name HN )) (( segid " " and resid 127 and name HB2 )) 5.500 3.800 0.500 peak 489 spectrum 1 weight 0.11000E+01 volume 0.40354E-03 ppm1 7.924 ppm2 2.954 CV 1 ASSI { 490} (( segid " " and resid 163 and name HN )) (( segid " " and resid 128 and name HG2 )) 4.500 4.500 1.500 peak 490 spectrum 1 weight 0.11000E+01 volume 0.72353E-03 ppm1 7.931 ppm2 1.884 CV 1 ASSI { 491} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA )) 2.700 0.900 0.900 peak 491 spectrum 1 weight 0.11000E+01 volume 0.24006E-02 ppm1 7.934 ppm2 4.863 CV 1 ASSI { 492} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB1 )) 4.100 2.100 1.900 peak 492 spectrum 1 weight 0.11000E+01 volume 0.13207E-02 ppm1 7.930 ppm2 2.890 CV 1 ASSI { 493} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB2 )) 3.200 1.200 1.200 peak 493 spectrum 1 weight 0.11000E+01 volume 0.85212E-03 ppm1 7.930 ppm2 2.739 CV 1 ASSI { 494} (( segid " " and resid 163 and name HN )) ( segid " " and resid 162 and name HD% ) 3.700 1.700 1.700 peak 494 spectrum 1 weight 0.11000E+01 volume 0.63911E-03 ppm1 7.933 ppm2 7.188 CV 1 ASSI { 496} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA )) 3.500 1.500 1.500 peak 496 spectrum 1 weight 0.11000E+01 volume 0.56936E-03 ppm1 7.928 ppm2 4.652 CV 1 ASSI { 497} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HG1 )) 4.300 4.300 1.700 peak 497 spectrum 1 weight 0.11000E+01 volume 0.54480E-03 ppm1 7.934 ppm2 1.647 CV 1 ASSI { 498} (( segid " " and resid 163 and name HN )) (( segid " " and resid 178 and name HA )) 4.900 3.100 1.100 peak 498 spectrum 1 weight 0.11000E+01 volume 0.66162E-03 ppm1 7.934 ppm2 4.664 CV 1 ASSI { 499} (( segid " " and resid 163 and name HN )) (( segid " " and resid 178 and name HB2 )) 4.900 3.000 1.100 peak 499 spectrum 1 weight 0.11000E+01 volume 0.14958E-02 ppm1 7.942 ppm2 3.186 CV 1 ASSI { 500} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HA )) 2.100 0.600 0.600 peak 500 spectrum 1 weight 0.11000E+01 volume 0.73096E-02 ppm1 8.588 ppm2 4.588 CV 1 ASSI { 501} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HB1 )) 4.200 2.200 1.800 peak 501 spectrum 1 weight 0.11000E+01 volume 0.12226E-02 ppm1 8.593 ppm2 2.010 CV 1 ASSI { 502} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HB2 )) 3.800 1.800 1.800 peak 502 spectrum 1 weight 0.11000E+01 volume 0.14962E-02 ppm1 8.589 ppm2 2.488 CV 1 ASSI { 503} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HG1 )) 3.800 1.800 1.800 peak 503 spectrum 1 weight 0.11000E+01 volume 0.37518E-02 ppm1 8.588 ppm2 2.101 CV 1 OR { 503} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HG2 )) ASSI { 504} (( segid " " and resid 165 and name HN )) (( segid " " and resid 165 and name HA )) 3.100 1.200 1.200 peak 504 spectrum 1 weight 0.11000E+01 volume 0.14243E-02 ppm1 8.588 ppm2 4.309 CV 1 ASSI { 505} (( segid " " and resid 165 and name HN )) (( segid " " and resid 165 and name HB )) 2.800 1.000 1.000 peak 505 spectrum 1 weight 0.11000E+01 volume 0.37518E-02 ppm1 8.588 ppm2 2.101 CV 1 ASSI { 506} (( segid " " and resid 165 and name HN )) ( segid " " and resid 165 and name HG1%) 2.300 0.700 0.700 peak 506 spectrum 1 weight 0.11000E+01 volume 0.57213E-02 ppm1 8.589 ppm2 0.843 CV 1 ASSI { 508} (( segid " " and resid 165 and name HN )) (( segid " " and resid 167 and name HN )) 4.800 2.800 1.200 peak 508 spectrum 1 weight 0.11000E+01 volume 0.82027E-03 ppm1 8.587 ppm2 8.240 CV 1 ASSI { 509} (( segid " " and resid 165 and name HN )) ( segid " " and resid 174 and name HE% ) 5.100 3.300 0.900 peak 509 spectrum 1 weight 0.11000E+01 volume 0.27121E-03 ppm1 8.586 ppm2 7.195 CV 1 ASSI { 510} (( segid " " and resid 165 and name HN )) (( segid " " and resid 220 and name HB1 )) 3.200 1.300 1.300 peak 510 spectrum 1 weight 0.11000E+01 volume 0.11390E-02 ppm1 8.587 ppm2 2.172 CV 1 ASSI { 511} (( segid " " and resid 165 and name HN )) (( segid " " and resid 220 and name HG1 )) 3.100 1.200 1.200 peak 511 spectrum 1 weight 0.11000E+01 volume 0.11390E-02 ppm1 8.587 ppm2 2.190 CV 1 ASSI { 512} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HA )) 2.900 1.100 1.100 peak 512 spectrum 1 weight 0.11000E+01 volume 0.10095E-02 ppm1 8.269 ppm2 4.305 CV 1 ASSI { 513} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HB )) 3.900 1.900 1.900 peak 513 spectrum 1 weight 0.11000E+01 volume 0.85771E-03 ppm1 8.275 ppm2 2.118 CV 1 ASSI { 514} (( segid " " and resid 166 and name HN )) ( segid " " and resid 165 and name HG1%) 3.100 1.200 1.200 peak 514 spectrum 1 weight 0.11000E+01 volume 0.33222E-02 ppm1 8.273 ppm2 0.841 CV 1 ASSI { 515} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HN )) 3.300 1.400 1.400 peak 515 spectrum 1 weight 0.11000E+01 volume 0.21056E-02 ppm1 8.273 ppm2 8.605 CV 1 ASSI { 516} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HA )) 2.500 0.800 0.800 peak 516 spectrum 1 weight 0.11000E+01 volume 0.36113E-02 ppm1 8.270 ppm2 4.606 CV 1 ASSI { 517} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HB1 )) 2.800 1.000 1.000 peak 517 spectrum 1 weight 0.11000E+01 volume 0.21950E-02 ppm1 8.270 ppm2 2.902 CV 1 ASSI { 518} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HB2 )) 3.000 1.100 1.100 peak 518 spectrum 1 weight 0.11000E+01 volume 0.29624E-02 ppm1 8.273 ppm2 2.701 CV 1 ASSI { 519} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HA )) 2.800 1.000 1.000 peak 519 spectrum 1 weight 0.11000E+01 volume 0.23067E-02 ppm1 8.242 ppm2 4.116 CV 1 ASSI { 520} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB1 )) 3.000 1.100 1.100 peak 520 spectrum 1 weight 0.11000E+01 volume 0.26001E-02 ppm1 8.248 ppm2 1.931 CV 1 ASSI { 521} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB2 )) 3.200 1.300 1.300 peak 521 spectrum 1 weight 0.11000E+01 volume 0.31651E-02 ppm1 8.243 ppm2 1.727 CV 1 ASSI { 522} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HG2 )) 2.100 2.100 3.900 peak 522 spectrum 1 weight 0.11000E+01 volume 0.38229E-02 ppm1 8.244 ppm2 2.229 CV 1 ASSI { 523} (( segid " " and resid 167 and name HN )) ( segid " " and resid 168 and name HD% ) 3.900 1.900 1.900 peak 523 spectrum 1 weight 0.11000E+01 volume 0.79953E-03 ppm1 8.242 ppm2 7.374 CV 1 ASSI { 524} (( segid " " and resid 167 and name HN )) (( segid " " and resid 168 and name HN )) 2.300 0.700 0.700 peak 524 spectrum 1 weight 0.11000E+01 volume 0.26986E-02 ppm1 8.241 ppm2 7.889 CV 1 ASSI { 525} (( segid " " and resid 168 and name HN )) (( segid " " and resid 166 and name HA )) 4.000 2.000 2.000 peak 525 spectrum 1 weight 0.11000E+01 volume 0.91781E-03 ppm1 7.874 ppm2 4.607 CV 1 ASSI { 526} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HA )) 3.300 1.400 1.400 peak 526 spectrum 1 weight 0.11000E+01 volume 0.12865E-02 ppm1 7.877 ppm2 4.115 CV 1 ASSI { 527} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HB1 )) 5.900 4.300 0.100 peak 527 spectrum 1 weight 0.11000E+01 volume 0.15908E-03 ppm1 7.884 ppm2 1.940 CV 1 ASSI { 528} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HG2 )) 5.200 3.400 0.800 peak 528 spectrum 1 weight 0.11000E+01 volume 0.28000E-03 ppm1 7.868 ppm2 2.226 CV 1 ASSI { 530} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HA )) 3.000 1.100 1.100 peak 530 spectrum 1 weight 0.11000E+01 volume 0.19196E-02 ppm1 7.877 ppm2 4.906 CV 1 ASSI { 531} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HB1 )) 3.700 1.700 1.700 peak 531 spectrum 1 weight 0.11000E+01 volume 0.16976E-02 ppm1 7.875 ppm2 3.417 CV 1 ASSI { 532} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HB2 )) 2.500 0.800 0.800 peak 532 spectrum 1 weight 0.11000E+01 volume 0.25777E-02 ppm1 7.876 ppm2 3.027 CV 1 ASSI { 533} (( segid " " and resid 168 and name HN )) ( segid " " and resid 168 and name HD% ) 3.000 1.100 1.100 peak 533 spectrum 1 weight 0.11000E+01 volume 0.29485E-02 ppm1 7.877 ppm2 7.383 CV 1 ASSI { 534} (( segid " " and resid 168 and name HN )) (( segid " " and resid 169 and name HN )) 4.700 2.800 1.300 peak 534 spectrum 1 weight 0.11000E+01 volume 0.30559E-03 ppm1 7.875 ppm2 9.223 CV 1 ASSI { 535} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HA )) 3.000 1.100 1.100 peak 535 spectrum 1 weight 0.11000E+01 volume 0.22967E-02 ppm1 9.211 ppm2 4.905 CV 1 ASSI { 536} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HB1 )) 3.400 1.500 1.500 peak 536 spectrum 1 weight 0.11000E+01 volume 0.58292E-03 ppm1 9.211 ppm2 3.416 CV 1 ASSI { 537} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HB2 )) 4.700 2.800 1.300 peak 537 spectrum 1 weight 0.11000E+01 volume 0.43456E-03 ppm1 9.214 ppm2 3.019 CV 1 ASSI { 538} (( segid " " and resid 169 and name HN )) ( segid " " and resid 168 and name HD% ) 4.200 2.200 1.800 peak 538 spectrum 1 weight 0.11000E+01 volume 0.41162E-03 ppm1 9.217 ppm2 7.377 CV 1 ASSI { 539} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HA )) 3.400 1.400 1.400 peak 539 spectrum 1 weight 0.11000E+01 volume 0.11761E-02 ppm1 9.208 ppm2 4.557 CV 1 ASSI { 540} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HB2 )) 3.400 1.500 1.500 peak 540 spectrum 1 weight 0.11000E+01 volume 0.12530E-02 ppm1 9.209 ppm2 4.004 CV 1 OR { 540} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HB1 )) ASSI { 542} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HA )) 5.100 3.200 0.900 peak 542 spectrum 1 weight 0.11000E+01 volume 0.45917E-03 ppm1 7.547 ppm2 4.916 CV 1 ASSI { 543} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HB1 )) 3.300 1.300 1.300 peak 543 spectrum 1 weight 0.11000E+01 volume 0.18202E-02 ppm1 7.550 ppm2 3.416 CV 1 ASSI { 544} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HB2 )) 4.300 2.300 1.700 peak 544 spectrum 1 weight 0.11000E+01 volume 0.11798E-02 ppm1 7.536 ppm2 3.009 CV 1 ASSI { 545} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HA )) 3.400 1.400 1.400 peak 545 spectrum 1 weight 0.11000E+01 volume 0.16485E-02 ppm1 7.551 ppm2 4.575 CV 1 ASSI { 546} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HB2 )) 3.800 1.800 1.800 peak 546 spectrum 1 weight 0.11000E+01 volume 0.94693E-03 ppm1 7.541 ppm2 4.002 CV 1 OR { 546} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HB1 )) ASSI { 547} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HN )) 2.800 1.000 1.000 peak 547 spectrum 1 weight 0.11000E+01 volume 0.24791E-02 ppm1 7.552 ppm2 9.229 CV 1 ASSI { 548} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HA )) 3.600 1.700 1.700 peak 548 spectrum 1 weight 0.11000E+01 volume 0.64399E-03 ppm1 7.542 ppm2 4.759 CV 1 ASSI { 549} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HB1 )) 4.800 2.800 1.200 peak 549 spectrum 1 weight 0.11000E+01 volume 0.38126E-03 ppm1 7.551 ppm2 3.220 CV 1 ASSI { 550} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HB2 )) 3.000 1.100 1.100 peak 550 spectrum 1 weight 0.11000E+01 volume 0.18599E-02 ppm1 7.544 ppm2 3.025 CV 1 ASSI { 552} (( segid " " and resid 171 and name HE21)) (( segid " " and resid 171 and name HE22)) 1.900 0.500 0.500 peak 552 spectrum 1 weight 0.11000E+01 volume 0.78601E-02 ppm1 6.782 ppm2 7.410 CV 1 ASSI { 553} (( segid " " and resid 171 and name HE22)) (( segid " " and resid 170 and name HD21)) 2.300 2.300 3.700 peak 553 spectrum 1 weight 0.11000E+01 volume 0.28259E-01 ppm1 7.419 ppm2 6.802 CV 1 ASSI { 554} (( segid " " and resid 171 and name HE22)) (( segid " " and resid 171 and name HG1 )) 4.200 2.200 1.800 peak 554 spectrum 1 weight 0.11000E+01 volume 0.88501E-03 ppm1 7.419 ppm2 2.479 CV 1 ASSI { 556} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HA )) 2.900 1.100 1.100 peak 556 spectrum 1 weight 0.11000E+01 volume 0.12789E-02 ppm1 8.619 ppm2 4.771 CV 1 ASSI { 557} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HB1 )) 3.100 1.200 1.200 peak 557 spectrum 1 weight 0.11000E+01 volume 0.13838E-02 ppm1 8.620 ppm2 3.233 CV 1 ASSI { 558} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HB2 )) 3.300 1.400 1.400 peak 558 spectrum 1 weight 0.11000E+01 volume 0.25568E-02 ppm1 8.619 ppm2 3.024 CV 1 ASSI { 559} (( segid " " and resid 171 and name HN )) (( segid " " and resid 172 and name HA )) 5.200 3.400 0.800 peak 559 spectrum 1 weight 0.11000E+01 volume 0.25703E-03 ppm1 8.635 ppm2 4.257 CV 1 ASSI { 560} (( segid " " and resid 171 and name HN )) (( segid " " and resid 172 and name HD21)) 4.900 3.000 1.100 peak 560 spectrum 1 weight 0.11000E+01 volume 0.22433E-03 ppm1 8.602 ppm2 7.583 CV 1 ASSI { 562} (( segid " " and resid 171 and name HN )) (( segid " " and resid 173 and name HN )) 4.600 2.600 1.400 peak 562 spectrum 1 weight 0.11000E+01 volume 0.17810E-03 ppm1 8.623 ppm2 8.402 CV 1 ASSI { 563} (( segid " " and resid 171 and name HN )) (( segid " " and resid 174 and name HB1 )) 3.200 3.200 2.800 peak 563 spectrum 1 weight 0.11000E+01 volume 0.18635E-02 ppm1 8.622 ppm2 2.713 CV 1 ASSI { 564} (( segid " " and resid 172 and name HN )) (( segid " " and resid 170 and name HB2 )) 4.500 2.500 1.500 peak 564 spectrum 1 weight 0.11000E+01 volume 0.81560E-03 ppm1 8.510 ppm2 3.024 CV 1 ASSI { 565} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HN )) 2.700 0.900 0.900 peak 565 spectrum 1 weight 0.11000E+01 volume 0.25924E-02 ppm1 8.509 ppm2 8.618 CV 1 ASSI { 566} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HA )) 2.700 0.900 0.900 peak 566 spectrum 1 weight 0.11000E+01 volume 0.40574E-02 ppm1 8.509 ppm2 4.220 CV 1 ASSI { 567} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HB1 )) 2.700 0.900 0.900 peak 567 spectrum 1 weight 0.11000E+01 volume 0.52422E-02 ppm1 8.510 ppm2 2.775 CV 1 ASSI { 568} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HB2 )) 2.900 1.100 1.100 peak 568 spectrum 1 weight 0.11000E+01 volume 0.31128E-02 ppm1 8.497 ppm2 2.696 CV 1 ASSI { 570} (( segid " " and resid 172 and name HN )) (( segid " " and resid 175 and name HB )) 2.900 2.900 3.100 peak 570 spectrum 1 weight 0.11000E+01 volume 0.53208E-02 ppm1 8.516 ppm2 2.214 CV 1 ASSI { 571} (( segid " " and resid 173 and name HN )) (( segid " " and resid 170 and name HB2 )) 5.000 3.100 1.000 peak 571 spectrum 1 weight 0.11000E+01 volume 0.31734E-03 ppm1 8.411 ppm2 3.038 CV 1 ASSI { 573} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HA )) 2.700 0.900 0.900 peak 573 spectrum 1 weight 0.11000E+01 volume 0.51683E-02 ppm1 8.411 ppm2 4.244 CV 1 ASSI { 574} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HB1 )) 3.400 1.400 1.400 peak 574 spectrum 1 weight 0.11000E+01 volume 0.23275E-02 ppm1 8.410 ppm2 2.735 CV 1 ASSI { 575} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HB2 )) 2.900 1.100 1.100 peak 575 spectrum 1 weight 0.11000E+01 volume 0.23275E-02 ppm1 8.406 ppm2 2.721 CV 1 ASSI { 576} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HD21)) 3.900 1.900 1.900 peak 576 spectrum 1 weight 0.11000E+01 volume 0.48026E-03 ppm1 8.413 ppm2 7.592 CV 1 ASSI { 577} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HN )) 2.300 0.700 0.700 peak 577 spectrum 1 weight 0.11000E+01 volume 0.88898E-02 ppm1 8.413 ppm2 8.510 CV 1 ASSI { 578} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HA )) 2.600 0.900 0.900 peak 578 spectrum 1 weight 0.11000E+01 volume 0.54412E-02 ppm1 8.407 ppm2 4.297 CV 1 ASSI { 579} (( segid " " and resid 173 and name HN )) (( segid " " and resid 174 and name HN )) 2.900 1.000 1.000 peak 579 spectrum 1 weight 0.11000E+01 volume 0.22026E-02 ppm1 8.411 ppm2 7.101 CV 1 ASSI { 580} (( segid " " and resid 173 and name HN )) (( segid " " and resid 176 and name HN )) 2.500 2.500 3.500 peak 580 spectrum 1 weight 0.11000E+01 volume 0.11562E-01 ppm1 8.413 ppm2 8.366 CV 1 ASSI { 581} (( segid " " and resid 174 and name HN )) (( segid " " and resid 170 and name HB2 )) 3.400 1.400 1.400 peak 581 spectrum 1 weight 0.11000E+01 volume 0.16552E-02 ppm1 7.093 ppm2 3.058 CV 1 ASSI { 582} (( segid " " and resid 174 and name HN )) (( segid " " and resid 171 and name HE22)) 5.400 3.600 0.600 peak 582 spectrum 1 weight 0.11000E+01 volume 0.52242E-03 ppm1 7.090 ppm2 7.383 CV 1 ASSI { 583} (( segid " " and resid 174 and name HN )) (( segid " " and resid 171 and name HG1 )) 4.000 2.000 2.000 peak 583 spectrum 1 weight 0.11000E+01 volume 0.11136E-02 ppm1 7.091 ppm2 2.457 CV 1 ASSI { 584} (( segid " " and resid 174 and name HN )) (( segid " " and resid 172 and name HA )) 3.700 1.700 1.700 peak 584 spectrum 1 weight 0.11000E+01 volume 0.83260E-03 ppm1 7.094 ppm2 4.235 CV 1 ASSI { 586} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HA )) 3.900 1.900 1.900 peak 586 spectrum 1 weight 0.11000E+01 volume 0.48266E-03 ppm1 7.101 ppm2 4.208 CV 1 ASSI { 587} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HB1 )) 3.000 1.200 1.200 peak 587 spectrum 1 weight 0.11000E+01 volume 0.12647E-02 ppm1 7.093 ppm2 2.702 CV 1 ASSI { 588} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HA )) 5.200 3.300 0.800 peak 588 spectrum 1 weight 0.11000E+01 volume 0.39213E-03 ppm1 7.089 ppm2 3.395 CV 1 ASSI { 589} (( segid " " and resid 174 and name HN )) ( segid " " and resid 175 and name HG2%) 5.200 3.300 0.800 peak 589 spectrum 1 weight 0.11000E+01 volume 0.33862E-03 ppm1 7.094 ppm2 1.059 CV 1 ASSI { 590} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HN )) 3.200 1.300 1.300 peak 590 spectrum 1 weight 0.11000E+01 volume 0.97861E-03 ppm1 7.093 ppm2 8.907 CV 1 ASSI { 591} (( segid " " and resid 174 and name HN )) (( segid " " and resid 176 and name HN )) 3.800 1.800 1.800 peak 591 spectrum 1 weight 0.11000E+01 volume 0.89369E-03 ppm1 7.081 ppm2 8.386 CV 1 ASSI { 593} (( segid " " and resid 175 and name HN )) (( segid " " and resid 171 and name HG1 )) 4.100 2.100 1.900 peak 593 spectrum 1 weight 0.11000E+01 volume 0.70972E-03 ppm1 8.897 ppm2 2.456 CV 1 ASSI { 594} (( segid " " and resid 175 and name HN )) (( segid " " and resid 172 and name HA )) 3.600 1.600 1.600 peak 594 spectrum 1 weight 0.11000E+01 volume 0.93459E-03 ppm1 8.895 ppm2 4.245 CV 1 ASSI { 595} (( segid " " and resid 175 and name HN )) (( segid " " and resid 173 and name HA )) 5.500 3.700 0.500 peak 595 spectrum 1 weight 0.11000E+01 volume 0.15817E-03 ppm1 8.903 ppm2 4.316 CV 1 ASSI { 596} (( segid " " and resid 175 and name HN )) (( segid " " and resid 173 and name HN )) 3.800 1.800 1.800 peak 596 spectrum 1 weight 0.11000E+01 volume 0.14587E-02 ppm1 8.899 ppm2 8.402 CV 1 ASSI { 597} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HA )) 4.200 2.200 1.800 peak 597 spectrum 1 weight 0.11000E+01 volume 0.48010E-03 ppm1 8.911 ppm2 4.189 CV 1 ASSI { 598} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HB1 )) 3.200 1.300 1.300 peak 598 spectrum 1 weight 0.11000E+01 volume 0.81436E-03 ppm1 8.897 ppm2 2.704 CV 1 ASSI { 600} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HA )) 3.200 1.300 1.300 peak 600 spectrum 1 weight 0.11000E+01 volume 0.12461E-02 ppm1 8.897 ppm2 3.387 CV 1 ASSI { 601} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HB )) 2.600 0.900 0.900 peak 601 spectrum 1 weight 0.11000E+01 volume 0.30642E-02 ppm1 8.898 ppm2 2.186 CV 1 ASSI { 602} (( segid " " and resid 175 and name HN )) ( segid " " and resid 175 and name HG1%) 3.200 1.300 1.300 peak 602 spectrum 1 weight 0.11000E+01 volume 0.37682E-02 ppm1 8.897 ppm2 1.048 CV 1 ASSI { 603} (( segid " " and resid 175 and name HN )) ( segid " " and resid 175 and name HG2%) 3.400 1.400 1.400 peak 603 spectrum 1 weight 0.11000E+01 volume 0.85865E-03 ppm1 8.892 ppm2 1.090 CV 1 ASSI { 605} (( segid " " and resid 175 and name HN )) (( segid " " and resid 177 and name HB1 )) 3.800 1.800 1.800 peak 605 spectrum 1 weight 0.11000E+01 volume 0.95462E-03 ppm1 8.892 ppm2 3.005 CV 1 ASSI { 606} (( segid " " and resid 175 and name HN )) (( segid " " and resid 177 and name HN )) 4.100 2.100 1.900 peak 606 spectrum 1 weight 0.11000E+01 volume 0.33463E-03 ppm1 8.900 ppm2 7.363 CV 1 ASSI { 607} (( segid " " and resid 175 and name HN )) ( segid " " and resid 217 and name HE% ) 3.700 3.700 2.300 peak 607 spectrum 1 weight 0.11000E+01 volume 0.14666E-02 ppm1 8.900 ppm2 7.135 CV 1 ASSI { 608} (( segid " " and resid 176 and name HN )) (( segid " " and resid 173 and name HA )) 2.800 2.800 3.200 peak 608 spectrum 1 weight 0.11000E+01 volume 0.53981E-02 ppm1 8.367 ppm2 4.295 CV 1 ASSI { 609} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HA )) 2.700 0.900 0.900 peak 609 spectrum 1 weight 0.11000E+01 volume 0.51829E-02 ppm1 8.368 ppm2 3.406 CV 1 ASSI { 610} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HB )) 2.600 0.800 0.800 peak 610 spectrum 1 weight 0.11000E+01 volume 0.34574E-02 ppm1 8.368 ppm2 2.196 CV 1 ASSI { 611} (( segid " " and resid 176 and name HN )) ( segid " " and resid 175 and name HG1%) 2.900 1.100 1.100 peak 611 spectrum 1 weight 0.11000E+01 volume 0.23785E-02 ppm1 8.370 ppm2 1.039 CV 1 ASSI { 612} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HN )) 3.100 1.200 1.200 peak 612 spectrum 1 weight 0.11000E+01 volume 0.16218E-02 ppm1 8.367 ppm2 8.906 CV 1 ASSI { 613} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HA )) 2.500 0.800 0.800 peak 613 spectrum 1 weight 0.11000E+01 volume 0.53981E-02 ppm1 8.367 ppm2 4.297 CV 1 ASSI { 614} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HB2 )) 2.400 0.700 0.700 peak 614 spectrum 1 weight 0.11000E+01 volume 0.85408E-02 ppm1 8.369 ppm2 3.337 CV 1 OR { 614} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HB1 )) ASSI { 615} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HD2 )) 3.600 1.600 1.600 peak 615 spectrum 1 weight 0.11000E+01 volume 0.17302E-02 ppm1 8.380 ppm2 8.184 CV 1 ASSI { 616} (( segid " " and resid 176 and name HN )) (( segid " " and resid 177 and name HN )) 2.900 1.100 1.100 peak 616 spectrum 1 weight 0.11000E+01 volume 0.19207E-02 ppm1 8.366 ppm2 7.381 CV 1 ASSI { 617} (( segid " " and resid 176 and name HN )) (( segid " " and resid 178 and name HN )) 3.500 1.500 1.500 peak 617 spectrum 1 weight 0.11000E+01 volume 0.16624E-02 ppm1 8.371 ppm2 8.132 CV 1 ASSI { 618} (( segid " " and resid 177 and name HN )) (( segid " " and resid 173 and name HA )) 3.400 1.500 1.500 peak 618 spectrum 1 weight 0.11000E+01 volume 0.12526E-02 ppm1 7.355 ppm2 4.308 CV 1 ASSI { 619} (( segid " " and resid 177 and name HN )) ( segid " " and resid 175 and name HG1%) 5.300 3.500 0.700 peak 619 spectrum 1 weight 0.11000E+01 volume 0.17211E-03 ppm1 7.366 ppm2 1.062 CV 1 ASSI { 620} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HB1 )) 2.900 1.100 1.100 peak 620 spectrum 1 weight 0.11000E+01 volume 0.31518E-02 ppm1 7.357 ppm2 3.353 CV 1 OR { 620} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HB2 )) ASSI { 621} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HD2 )) 3.200 1.200 1.200 peak 621 spectrum 1 weight 0.11000E+01 volume 0.22807E-02 ppm1 7.359 ppm2 8.158 CV 1 ASSI { 623} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HA )) 3.000 1.100 1.100 peak 623 spectrum 1 weight 0.11000E+01 volume 0.28028E-02 ppm1 7.356 ppm2 4.585 CV 1 ASSI { 624} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HB1 )) 2.600 0.900 0.900 peak 624 spectrum 1 weight 0.11000E+01 volume 0.50674E-02 ppm1 7.358 ppm2 3.020 CV 1 ASSI { 625} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HB2 )) 2.500 0.800 0.800 peak 625 spectrum 1 weight 0.11000E+01 volume 0.61397E-02 ppm1 7.357 ppm2 2.952 CV 1 ASSI { 626} (( segid " " and resid 177 and name HN )) (( segid " " and resid 178 and name HB2 )) 6.000 6.000 0.000 peak 626 spectrum 1 weight 0.11000E+01 volume 0.23577E-03 ppm1 7.344 ppm2 3.148 CV 1 ASSI { 627} (( segid " " and resid 177 and name HN )) (( segid " " and resid 178 and name HN )) 2.900 1.000 1.000 peak 627 spectrum 1 weight 0.11000E+01 volume 0.22807E-02 ppm1 7.359 ppm2 8.160 CV 1 ASSI { 628} (( segid " " and resid 177 and name HN )) (( segid " " and resid 180 and name HB2 )) 4.500 2.500 1.500 peak 628 spectrum 1 weight 0.11000E+01 volume 0.59789E-03 ppm1 7.366 ppm2 2.797 CV 1 ASSI { 629} (( segid " " and resid 178 and name HN )) (( segid " " and resid 175 and name HA )) 4.700 2.700 1.300 peak 629 spectrum 1 weight 0.11000E+01 volume 0.16603E-03 ppm1 8.151 ppm2 3.383 CV 1 ASSI { 630} (( segid " " and resid 178 and name HN )) ( segid " " and resid 175 and name HG1%) 4.000 2.000 2.000 peak 630 spectrum 1 weight 0.11000E+01 volume 0.73756E-03 ppm1 8.139 ppm2 1.047 CV 1 ASSI { 631} (( segid " " and resid 178 and name HN )) (( segid " " and resid 177 and name HA )) 3.800 1.800 1.800 peak 631 spectrum 1 weight 0.11000E+01 volume 0.59722E-03 ppm1 8.138 ppm2 4.607 CV 1 ASSI { 632} (( segid " " and resid 178 and name HN )) (( segid " " and resid 177 and name HB1 )) 3.000 1.100 1.100 peak 632 spectrum 1 weight 0.11000E+01 volume 0.25086E-02 ppm1 8.138 ppm2 2.983 CV 1 ASSI { 634} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HA )) 3.000 1.100 1.100 peak 634 spectrum 1 weight 0.11000E+01 volume 0.19145E-02 ppm1 8.130 ppm2 4.681 CV 1 ASSI { 635} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HB1 )) 2.700 0.900 0.900 peak 635 spectrum 1 weight 0.11000E+01 volume 0.23949E-02 ppm1 8.133 ppm2 2.838 CV 1 ASSI { 636} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HB2 )) 3.600 1.600 1.600 peak 636 spectrum 1 weight 0.11000E+01 volume 0.23605E-02 ppm1 8.130 ppm2 3.166 CV 1 ASSI { 637} (( segid " " and resid 178 and name HN )) (( segid " " and resid 179 and name HB )) 5.700 4.000 0.300 peak 637 spectrum 1 weight 0.11000E+01 volume 0.31804E-03 ppm1 8.140 ppm2 2.127 CV 1 ASSI { 638} (( segid " " and resid 178 and name HN )) (( segid " " and resid 179 and name HN )) 2.800 1.000 1.000 peak 638 spectrum 1 weight 0.11000E+01 volume 0.16282E-02 ppm1 8.132 ppm2 9.240 CV 1 ASSI { 639} (( segid " " and resid 179 and name HN )) (( segid " " and resid 175 and name HA )) 4.600 2.600 1.400 peak 639 spectrum 1 weight 0.11000E+01 volume 0.31703E-03 ppm1 9.219 ppm2 3.382 CV 1 ASSI { 640} (( segid " " and resid 179 and name HN )) (( segid " " and resid 176 and name HA )) 4.200 2.200 1.800 peak 640 spectrum 1 weight 0.11000E+01 volume 0.34562E-03 ppm1 9.208 ppm2 4.317 CV 1 ASSI { 641} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HA )) 3.900 1.900 1.900 peak 641 spectrum 1 weight 0.11000E+01 volume 0.36478E-03 ppm1 9.218 ppm2 4.673 CV 1 ASSI { 642} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HB1 )) 3.400 1.500 1.500 peak 642 spectrum 1 weight 0.11000E+01 volume 0.14343E-02 ppm1 9.221 ppm2 2.841 CV 1 ASSI { 643} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HB2 )) 3.600 1.600 1.600 peak 643 spectrum 1 weight 0.11000E+01 volume 0.10244E-02 ppm1 9.218 ppm2 3.173 CV 1 ASSI { 645} (( segid " " and resid 179 and name HN )) (( segid " " and resid 179 and name HA )) 2.800 1.000 1.000 peak 645 spectrum 1 weight 0.11000E+01 volume 0.14316E-02 ppm1 9.220 ppm2 3.675 CV 1 ASSI { 646} (( segid " " and resid 179 and name HN )) (( segid " " and resid 179 and name HB )) 3.100 1.200 1.200 peak 646 spectrum 1 weight 0.11000E+01 volume 0.37826E-02 ppm1 9.219 ppm2 2.133 CV 1 ASSI { 647} (( segid " " and resid 179 and name HN )) ( segid " " and resid 179 and name HG1%) 2.200 0.600 0.600 peak 647 spectrum 1 weight 0.11000E+01 volume 0.43473E-02 ppm1 9.218 ppm2 1.058 CV 1 ASSI { 648} (( segid " " and resid 179 and name HN )) (( segid " " and resid 180 and name HA )) 4.700 2.800 1.300 peak 648 spectrum 1 weight 0.11000E+01 volume 0.58515E-03 ppm1 9.216 ppm2 4.309 CV 1 ASSI { 649} (( segid " " and resid 179 and name HN )) (( segid " " and resid 180 and name HN )) 2.700 0.900 0.900 peak 649 spectrum 1 weight 0.11000E+01 volume 0.17463E-02 ppm1 9.218 ppm2 7.643 CV 1 ASSI { 650} (( segid " " and resid 179 and name HN )) ( segid " " and resid 183 and name HG2%) 4.800 2.900 1.200 peak 650 spectrum 1 weight 0.11000E+01 volume 0.59460E-03 ppm1 9.188 ppm2 0.978 CV 1 ASSI { 651} (( segid " " and resid 179 and name HN )) ( segid " " and resid 209 and name HG1%) 4.600 2.600 1.400 peak 651 spectrum 1 weight 0.11000E+01 volume 0.16300E-02 ppm1 9.212 ppm2 0.939 CV 1 ASSI { 652} (( segid " " and resid 179 and name HN )) ( segid " " and resid 209 and name HG2%) 6.000 4.700 0.000 peak 652 spectrum 1 weight 0.11000E+01 volume 0.41893E-03 ppm1 9.219 ppm2 1.190 CV 1 ASSI { 653} (( segid " " and resid 179 and name HN )) (( segid " " and resid 210 and name HA )) 6.000 6.000 0.000 peak 653 spectrum 1 weight 0.11000E+01 volume 0.57360E-04 ppm1 9.224 ppm2 3.559 CV 1 ASSI { 654} (( segid " " and resid 179 and name HN )) (( segid " " and resid 213 and name HB2 )) 5.100 3.200 0.900 peak 654 spectrum 1 weight 0.11000E+01 volume 0.34591E-03 ppm1 9.232 ppm2 2.894 CV 1 ASSI { 655} (( segid " " and resid 180 and name HD21)) (( segid " " and resid 180 and name HB1 )) 3.500 1.500 1.500 peak 655 spectrum 1 weight 0.11000E+01 volume 0.86459E-03 ppm1 6.757 ppm2 2.842 CV 1 ASSI { 656} (( segid " " and resid 180 and name HD21)) (( segid " " and resid 180 and name HD22)) 1.700 0.400 0.500 peak 656 spectrum 1 weight 0.11000E+01 volume 0.29377E-01 ppm1 6.760 ppm2 7.653 CV 1 ASSI { 657} (( segid " " and resid 180 and name HD22)) (( segid " " and resid 180 and name HB1 )) 5.100 5.100 0.900 peak 657 spectrum 1 weight 0.11000E+01 volume 0.31714E-03 ppm1 7.633 ppm2 2.848 CV 1 ASSI { 659} (( segid " " and resid 180 and name HN )) (( segid " " and resid 177 and name HA )) 3.600 1.700 1.700 peak 659 spectrum 1 weight 0.11000E+01 volume 0.72637E-03 ppm1 7.622 ppm2 4.580 CV 1 ASSI { 660} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HA )) 3.000 1.100 1.100 peak 660 spectrum 1 weight 0.11000E+01 volume 0.20226E-02 ppm1 7.627 ppm2 3.679 CV 1 ASSI { 661} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HB )) 3.200 1.300 1.300 peak 661 spectrum 1 weight 0.11000E+01 volume 0.35229E-02 ppm1 7.626 ppm2 2.127 CV 1 ASSI { 662} (( segid " " and resid 180 and name HN )) ( segid " " and resid 179 and name HG1%) 4.000 2.000 2.000 peak 662 spectrum 1 weight 0.11000E+01 volume 0.12540E-02 ppm1 7.626 ppm2 1.050 CV 1 ASSI { 663} (( segid " " and resid 180 and name HN )) ( segid " " and resid 179 and name HG2%) 2.800 1.000 1.000 peak 663 spectrum 1 weight 0.11000E+01 volume 0.17810E-02 ppm1 7.627 ppm2 0.954 CV 1 ASSI { 665} (( segid " " and resid 180 and name HN )) (( segid " " and resid 180 and name HA )) 2.600 0.900 0.900 peak 665 spectrum 1 weight 0.11000E+01 volume 0.39241E-02 ppm1 7.627 ppm2 4.308 CV 1 ASSI { 666} (( segid " " and resid 180 and name HN )) (( segid " " and resid 180 and name HB1 )) 3.000 1.100 1.100 peak 666 spectrum 1 weight 0.11000E+01 volume 0.56244E-02 ppm1 7.628 ppm2 2.839 CV 1 ASSI { 668} (( segid " " and resid 180 and name HN )) ( segid " " and resid 183 and name HG2%) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.11000E+01 volume 0.17810E-02 ppm1 7.628 ppm2 0.973 CV 1 ASSI { 669} (( segid " " and resid 180 and name HN )) (( segid " " and resid 183 and name HN )) 6.000 6.000 0.000 peak 669 spectrum 1 weight 0.11000E+01 volume 0.24321E-04 ppm1 7.621 ppm2 8.798 CV 1 ASSI { 670} (( segid " " and resid 181 and name HN )) (( segid " " and resid 177 and name HA )) 4.500 2.500 1.500 peak 670 spectrum 1 weight 0.11000E+01 volume 0.41916E-03 ppm1 8.669 ppm2 4.570 CV 1 ASSI { 671} (( segid " " and resid 181 and name HN )) (( segid " " and resid 178 and name HN )) 4.100 2.100 1.900 peak 671 spectrum 1 weight 0.11000E+01 volume 0.10100E-02 ppm1 8.664 ppm2 8.152 CV 1 ASSI { 672} (( segid " " and resid 181 and name HN )) (( segid " " and resid 179 and name HA )) 3.800 1.800 1.800 peak 672 spectrum 1 weight 0.11000E+01 volume 0.45713E-03 ppm1 8.659 ppm2 3.708 CV 1 ASSI { 673} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HA )) 3.600 1.600 1.600 peak 673 spectrum 1 weight 0.11000E+01 volume 0.52937E-03 ppm1 8.660 ppm2 4.305 CV 1 ASSI { 674} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HB1 )) 3.000 1.100 1.100 peak 674 spectrum 1 weight 0.11000E+01 volume 0.24688E-02 ppm1 8.661 ppm2 2.833 CV 1 ASSI { 675} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HD22)) 4.000 2.000 2.000 peak 675 spectrum 1 weight 0.11000E+01 volume 0.15005E-02 ppm1 8.649 ppm2 7.637 CV 1 ASSI { 676} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HN )) 2.700 0.900 0.900 peak 676 spectrum 1 weight 0.11000E+01 volume 0.16094E-02 ppm1 8.661 ppm2 7.640 CV 1 ASSI { 677} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HA )) 2.800 1.000 1.000 peak 677 spectrum 1 weight 0.11000E+01 volume 0.21511E-02 ppm1 8.661 ppm2 3.743 CV 1 ASSI { 678} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HB )) 2.700 0.900 0.900 peak 678 spectrum 1 weight 0.11000E+01 volume 0.40299E-02 ppm1 8.660 ppm2 1.584 CV 1 ASSI { 679} (( segid " " and resid 181 and name HN )) ( segid " " and resid 181 and name HD1%) 4.100 2.100 1.900 peak 679 spectrum 1 weight 0.11000E+01 volume 0.73227E-03 ppm1 8.658 ppm2 0.409 CV 1 ASSI { 680} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HG11)) 3.800 3.800 2.200 peak 680 spectrum 1 weight 0.11000E+01 volume 0.19131E-02 ppm1 8.671 ppm2 0.854 CV 1 ASSI { 681} (( segid " " and resid 181 and name HN )) ( segid " " and resid 181 and name HG2%) 4.100 2.100 1.900 peak 681 spectrum 1 weight 0.11000E+01 volume 0.15547E-02 ppm1 8.661 ppm2 0.243 CV 1 ASSI { 682} (( segid " " and resid 181 and name HN )) (( segid " " and resid 182 and name HN )) 2.700 0.900 0.900 peak 682 spectrum 1 weight 0.11000E+01 volume 0.14686E-02 ppm1 8.663 ppm2 8.110 CV 1 ASSI { 683} (( segid " " and resid 181 and name HN )) (( segid " " and resid 183 and name HN )) 4.000 2.000 2.000 peak 683 spectrum 1 weight 0.11000E+01 volume 0.64409E-03 ppm1 8.665 ppm2 8.798 CV 1 ASSI { 684} (( segid " " and resid 182 and name HN )) (( segid " " and resid 161 and name HB2 )) 4.400 2.400 1.600 peak 684 spectrum 1 weight 0.11000E+01 volume 0.24544E-03 ppm1 8.116 ppm2 2.567 CV 1 ASSI { 685} (( segid " " and resid 182 and name HN )) ( segid " " and resid 161 and name HE% ) 3.600 3.600 2.400 peak 685 spectrum 1 weight 0.11000E+01 volume 0.25562E-02 ppm1 8.092 ppm2 6.356 CV 1 ASSI { 686} (( segid " " and resid 182 and name HN )) (( segid " " and resid 179 and name HA )) 3.500 1.600 1.600 peak 686 spectrum 1 weight 0.11000E+01 volume 0.31458E-03 ppm1 8.106 ppm2 3.674 CV 1 ASSI { 687} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HB )) 3.000 3.000 3.000 peak 687 spectrum 1 weight 0.11000E+01 volume 0.13410E-02 ppm1 8.091 ppm2 1.584 CV 1 ASSI { 688} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HG11)) 6.000 6.000 0.000 peak 688 spectrum 1 weight 0.11000E+01 volume 0.91712E-05 ppm1 8.094 ppm2 0.855 CV 1 ASSI { 689} (( segid " " and resid 182 and name HN )) ( segid " " and resid 181 and name HG2%) 4.300 2.300 1.700 peak 689 spectrum 1 weight 0.11000E+01 volume 0.94570E-03 ppm1 8.091 ppm2 0.240 CV 1 ASSI { 691} (( segid " " and resid 182 and name HN )) (( segid " " and resid 182 and name HB )) 3.200 1.300 1.300 peak 691 spectrum 1 weight 0.11000E+01 volume 0.81869E-03 ppm1 8.102 ppm2 4.533 CV 1 ASSI { 692} (( segid " " and resid 182 and name HN )) ( segid " " and resid 183 and name HG2%) 3.900 1.900 1.900 peak 692 spectrum 1 weight 0.11000E+01 volume 0.10820E-02 ppm1 8.094 ppm2 0.968 CV 1 ASSI { 693} (( segid " " and resid 182 and name HN )) (( segid " " and resid 183 and name HN )) 2.700 0.900 0.900 peak 693 spectrum 1 weight 0.11000E+01 volume 0.18984E-02 ppm1 8.092 ppm2 8.812 CV 1 ASSI { 694} (( segid " " and resid 182 and name HN )) (( segid " " and resid 184 and name HA )) 4.000 4.000 2.000 peak 694 spectrum 1 weight 0.11000E+01 volume 0.12011E-02 ppm1 8.089 ppm2 4.081 CV 1 ASSI { 695} (( segid " " and resid 182 and name HN )) (( segid " " and resid 184 and name HG1 )) 4.600 2.600 1.400 peak 695 spectrum 1 weight 0.11000E+01 volume 0.63326E-03 ppm1 8.106 ppm2 1.510 CV 1 ASSI { 696} (( segid " " and resid 182 and name HN )) (( segid " " and resid 185 and name HN )) 4.300 2.300 1.700 peak 696 spectrum 1 weight 0.11000E+01 volume 0.38618E-03 ppm1 8.092 ppm2 8.393 CV 1 ASSI { 697} (( segid " " and resid 182 and name HN )) ( segid " " and resid 209 and name HG1%) 5.400 3.700 0.600 peak 697 spectrum 1 weight 0.11000E+01 volume 0.39401E-03 ppm1 8.092 ppm2 0.957 CV 1 ASSI { 698} (( segid " " and resid 183 and name HN )) ( segid " " and resid 161 and name HE% ) 4.800 4.800 1.200 peak 698 spectrum 1 weight 0.11000E+01 volume 0.37657E-03 ppm1 8.801 ppm2 6.348 CV 1 ASSI { 699} (( segid " " and resid 183 and name HN )) (( segid " " and resid 182 and name HA )) 3.600 1.600 1.600 peak 699 spectrum 1 weight 0.11000E+01 volume 0.48375E-03 ppm1 8.802 ppm2 4.062 CV 1 ASSI { 700} (( segid " " and resid 183 and name HN )) (( segid " " and resid 182 and name HB )) 2.500 0.800 0.800 peak 700 spectrum 1 weight 0.11000E+01 volume 0.12349E-02 ppm1 8.801 ppm2 4.506 CV 1 ASSI { 702} (( segid " " and resid 183 and name HN )) (( segid " " and resid 183 and name HA )) 2.700 0.900 0.900 peak 702 spectrum 1 weight 0.11000E+01 volume 0.21440E-02 ppm1 8.800 ppm2 3.636 CV 1 ASSI { 703} (( segid " " and resid 183 and name HN )) (( segid " " and resid 183 and name HB )) 3.100 1.200 1.200 peak 703 spectrum 1 weight 0.11000E+01 volume 0.37514E-02 ppm1 8.802 ppm2 2.294 CV 1 ASSI { 704} (( segid " " and resid 183 and name HN )) ( segid " " and resid 183 and name HG1%) 2.000 0.500 0.500 peak 704 spectrum 1 weight 0.11000E+01 volume 0.42163E-02 ppm1 8.802 ppm2 1.025 CV 1 ASSI { 705} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HA )) 4.300 2.400 1.700 peak 705 spectrum 1 weight 0.11000E+01 volume 0.55908E-03 ppm1 8.801 ppm2 4.062 CV 1 ASSI { 706} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HB2 )) 5.000 3.100 1.000 peak 706 spectrum 1 weight 0.11000E+01 volume 0.21411E-03 ppm1 8.804 ppm2 1.963 CV 1 ASSI { 707} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HG1 )) 4.500 2.600 1.500 peak 707 spectrum 1 weight 0.11000E+01 volume 0.76706E-03 ppm1 8.800 ppm2 1.514 CV 1 ASSI { 708} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HN )) 2.600 0.800 0.800 peak 708 spectrum 1 weight 0.11000E+01 volume 0.18504E-02 ppm1 8.801 ppm2 7.914 CV 1 ASSI { 709} (( segid " " and resid 183 and name HN )) ( segid " " and resid 209 and name HG1%) 3.200 1.300 1.300 peak 709 spectrum 1 weight 0.11000E+01 volume 0.33233E-02 ppm1 8.802 ppm2 0.941 CV 1 ASSI { 710} (( segid " " and resid 183 and name HN )) ( segid " " and resid 209 and name HG2%) 4.700 2.700 1.300 peak 710 spectrum 1 weight 0.11000E+01 volume 0.65517E-03 ppm1 8.791 ppm2 1.227 CV 1 ASSI { 711} (( segid " " and resid 184 and name HN )) (( segid " " and resid 181 and name HA )) 3.900 1.900 1.900 peak 711 spectrum 1 weight 0.11000E+01 volume 0.81159E-03 ppm1 7.888 ppm2 3.735 CV 1 ASSI { 712} (( segid " " and resid 184 and name HN )) (( segid " " and resid 182 and name HN )) 3.300 1.400 1.400 peak 712 spectrum 1 weight 0.11000E+01 volume 0.93161E-03 ppm1 7.894 ppm2 8.100 CV 1 ASSI { 713} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HA )) 4.000 2.000 2.000 peak 713 spectrum 1 weight 0.11000E+01 volume 0.33817E-03 ppm1 7.886 ppm2 3.630 CV 1 ASSI { 714} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HB )) 3.400 1.400 1.400 peak 714 spectrum 1 weight 0.11000E+01 volume 0.23549E-02 ppm1 7.893 ppm2 2.295 CV 1 ASSI { 715} (( segid " " and resid 184 and name HN )) ( segid " " and resid 183 and name HG2%) 3.300 1.300 1.300 peak 715 spectrum 1 weight 0.11000E+01 volume 0.20891E-02 ppm1 7.892 ppm2 0.978 CV 1 ASSI { 717} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HA )) 2.700 0.900 0.900 peak 717 spectrum 1 weight 0.11000E+01 volume 0.32253E-02 ppm1 7.893 ppm2 4.064 CV 1 ASSI { 718} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HB1 )) 3.200 1.300 1.300 peak 718 spectrum 1 weight 0.11000E+01 volume 0.53146E-02 ppm1 7.891 ppm2 1.920 CV 1 ASSI { 719} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HB2 )) 2.400 0.700 0.700 peak 719 spectrum 1 weight 0.11000E+01 volume 0.43335E-02 ppm1 7.891 ppm2 1.974 CV 1 ASSI { 720} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HD1 )) 4.000 2.000 2.000 peak 720 spectrum 1 weight 0.11000E+01 volume 0.28515E-03 ppm1 7.884 ppm2 1.655 CV 1 OR { 720} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HD2 )) ASSI { 721} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HG1 )) 4.400 2.500 1.600 peak 721 spectrum 1 weight 0.11000E+01 volume 0.84466E-03 ppm1 7.895 ppm2 1.500 CV 1 ASSI { 723} (( segid " " and resid 184 and name HN )) (( segid " " and resid 187 and name HN )) 4.300 2.300 1.700 peak 723 spectrum 1 weight 0.11000E+01 volume 0.34017E-03 ppm1 7.897 ppm2 8.186 CV 1 ASSI { 724} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HB1 )) 3.000 1.100 1.100 peak 724 spectrum 1 weight 0.11000E+01 volume 0.50808E-02 ppm1 8.384 ppm2 1.949 CV 1 ASSI { 725} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HB2 )) 2.000 0.500 0.500 peak 725 spectrum 1 weight 0.11000E+01 volume 0.43381E-02 ppm1 8.389 ppm2 1.974 CV 1 ASSI { 726} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HN )) 2.900 1.000 1.000 peak 726 spectrum 1 weight 0.11000E+01 volume 0.14184E-02 ppm1 8.386 ppm2 7.908 CV 1 ASSI { 727} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HA )) 2.500 0.800 0.800 peak 727 spectrum 1 weight 0.11000E+01 volume 0.40294E-02 ppm1 8.384 ppm2 4.048 CV 1 ASSI { 728} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HB2 )) 3.100 1.200 1.200 peak 728 spectrum 1 weight 0.11000E+01 volume 0.29066E-02 ppm1 8.379 ppm2 2.156 CV 1 OR { 728} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HB1 )) ASSI { 731} (( segid " " and resid 187 and name HN )) ( segid " " and resid 183 and name HG2%) 4.300 2.300 1.700 peak 731 spectrum 1 weight 0.11000E+01 volume 0.55861E-03 ppm1 8.168 ppm2 0.996 CV 1 ASSI { 732} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HA )) 3.800 1.800 1.800 peak 732 spectrum 1 weight 0.11000E+01 volume 0.74775E-03 ppm1 8.172 ppm2 4.605 CV 1 ASSI { 733} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HB1 )) 3.000 1.100 1.100 peak 733 spectrum 1 weight 0.11000E+01 volume 0.14821E-02 ppm1 8.168 ppm2 3.302 CV 1 OR { 733} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HB2 )) ASSI { 734} (( segid " " and resid 187 and name HN )) (( segid " " and resid 187 and name HA )) 2.900 1.000 1.000 peak 734 spectrum 1 weight 0.11000E+01 volume 0.23058E-02 ppm1 8.168 ppm2 4.192 CV 1 ASSI { 735} (( segid " " and resid 187 and name HN )) ( segid " " and resid 188 and name HG1%) 3.300 1.300 1.300 peak 735 spectrum 1 weight 0.11000E+01 volume 0.20395E-02 ppm1 8.168 ppm2 1.209 CV 1 ASSI { 736} (( segid " " and resid 187 and name HN )) (( segid " " and resid 188 and name HN )) 2.900 1.000 1.000 peak 736 spectrum 1 weight 0.11000E+01 volume 0.18258E-02 ppm1 8.167 ppm2 8.015 CV 1 ASSI { 737} (( segid " " and resid 187 and name HN )) (( segid " " and resid 190 and name HA )) 4.300 4.300 1.700 peak 737 spectrum 1 weight 0.11000E+01 volume 0.11396E-02 ppm1 8.177 ppm2 4.124 CV 1 ASSI { 738} (( segid " " and resid 187 and name HN )) (( segid " " and resid 191 and name HA )) 3.800 3.800 2.200 peak 738 spectrum 1 weight 0.11000E+01 volume 0.20564E-02 ppm1 8.168 ppm2 4.410 CV 1 ASSI { 741} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HA )) 2.600 0.900 0.900 peak 741 spectrum 1 weight 0.11000E+01 volume 0.44204E-02 ppm1 8.007 ppm2 4.016 CV 1 ASSI { 742} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HB )) 3.100 1.200 1.200 peak 742 spectrum 1 weight 0.11000E+01 volume 0.47141E-02 ppm1 8.008 ppm2 2.208 CV 1 ASSI { 743} (( segid " " and resid 188 and name HN )) ( segid " " and resid 188 and name HG1%) 3.300 1.300 1.300 peak 743 spectrum 1 weight 0.11000E+01 volume 0.11084E-02 ppm1 8.006 ppm2 1.214 CV 1 ASSI { 744} (( segid " " and resid 188 and name HN )) (( segid " " and resid 189 and name HA )) 3.900 1.900 1.900 peak 744 spectrum 1 weight 0.11000E+01 volume 0.24417E-02 ppm1 8.011 ppm2 4.203 CV 1 ASSI { 745} (( segid " " and resid 188 and name HN )) (( segid " " and resid 189 and name HN )) 2.200 0.600 0.600 peak 745 spectrum 1 weight 0.11000E+01 volume 0.43154E-02 ppm1 8.011 ppm2 8.123 CV 1 ASSI { 746} (( segid " " and resid 188 and name HN )) (( segid " " and resid 191 and name HA )) 4.500 4.500 1.500 peak 746 spectrum 1 weight 0.11000E+01 volume 0.16999E-02 ppm1 8.005 ppm2 4.407 CV 1 ASSI { 747} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HA )) 2.700 0.900 0.900 peak 747 spectrum 1 weight 0.11000E+01 volume 0.26723E-02 ppm1 8.115 ppm2 4.018 CV 1 ASSI { 748} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HB )) 3.300 1.400 1.400 peak 748 spectrum 1 weight 0.11000E+01 volume 0.24393E-02 ppm1 8.117 ppm2 2.211 CV 1 ASSI { 749} (( segid " " and resid 189 and name HN )) ( segid " " and resid 189 and name HG2%) 3.000 1.100 1.100 peak 749 spectrum 1 weight 0.11000E+01 volume 0.29493E-02 ppm1 8.115 ppm2 1.268 CV 1 OR { 749} (( segid " " and resid 189 and name HN )) (( segid " " and resid 189 and name HG1 )) ASSI { 750} (( segid " " and resid 189 and name HN )) (( segid " " and resid 192 and name HN )) 2.900 1.000 1.000 peak 750 spectrum 1 weight 0.11000E+01 volume 0.10812E-01 ppm1 8.130 ppm2 7.965 CV 1 ASSI { 751} (( segid " " and resid 190 and name HN )) (( segid " " and resid 189 and name HA )) 2.400 0.700 0.700 peak 751 spectrum 1 weight 0.11000E+01 volume 0.10303E-01 ppm1 7.991 ppm2 4.195 CV 1 ASSI { 752} (( segid " " and resid 190 and name HN )) ( segid " " and resid 189 and name HG2%) 3.400 1.400 1.400 peak 752 spectrum 1 weight 0.11000E+01 volume 0.16438E-02 ppm1 7.994 ppm2 1.277 CV 1 OR { 752} (( segid " " and resid 190 and name HN )) (( segid " " and resid 189 and name HG1 )) ASSI { 753} (( segid " " and resid 190 and name HN )) (( segid " " and resid 189 and name HN )) 1.400 0.300 0.800 peak 753 spectrum 1 weight 0.11000E+01 volume 0.56009E-02 ppm1 7.987 ppm2 8.146 CV 1 ASSI { 754} (( segid " " and resid 190 and name HN )) (( segid " " and resid 190 and name HA )) 2.800 2.800 3.200 peak 754 spectrum 1 weight 0.11000E+01 volume 0.17766E-02 ppm1 7.993 ppm2 4.108 CV 1 ASSI { 757} (( segid " " and resid 190 and name HN )) (( segid " " and resid 192 and name HN )) 2.500 0.800 0.800 peak 757 spectrum 1 weight 0.11000E+01 volume 0.14280E-01 ppm1 7.993 ppm2 7.970 CV 1 ASSI { 758} (( segid " " and resid 191 and name HN )) (( segid " " and resid 189 and name HA )) 3.100 1.200 1.200 peak 758 spectrum 1 weight 0.11000E+01 volume 0.59419E-02 ppm1 8.155 ppm2 4.198 CV 1 ASSI { 759} (( segid " " and resid 191 and name HN )) ( segid " " and resid 189 and name HG2%) 3.700 1.700 1.700 peak 759 spectrum 1 weight 0.11000E+01 volume 0.36149E-02 ppm1 8.157 ppm2 1.283 CV 1 OR { 759} (( segid " " and resid 191 and name HN )) (( segid " " and resid 189 and name HG1 )) ASSI { 760} (( segid " " and resid 191 and name HN )) (( segid " " and resid 190 and name HA )) 2.600 0.800 0.800 peak 760 spectrum 1 weight 0.11000E+01 volume 0.59419E-02 ppm1 8.154 ppm2 4.165 CV 1 ASSI { 761} (( segid " " and resid 191 and name HN )) (( segid " " and resid 190 and name HN )) 1.700 0.300 0.500 peak 761 spectrum 1 weight 0.11000E+01 volume 0.10458E-01 ppm1 8.155 ppm2 7.996 CV 1 ASSI { 762} (( segid " " and resid 191 and name HN )) (( segid " " and resid 191 and name HA )) 2.200 0.600 0.600 peak 762 spectrum 1 weight 0.11000E+01 volume 0.73953E-02 ppm1 8.156 ppm2 4.387 CV 1 ASSI { 763} (( segid " " and resid 192 and name HN )) (( segid " " and resid 189 and name HA )) 3.200 1.300 1.300 peak 763 spectrum 1 weight 0.11000E+01 volume 0.42350E-02 ppm1 7.987 ppm2 4.198 CV 1 ASSI { 764} (( segid " " and resid 192 and name HN )) (( segid " " and resid 189 and name HB )) 3.300 3.300 2.700 peak 764 spectrum 1 weight 0.11000E+01 volume 0.64422E-02 ppm1 7.987 ppm2 4.270 CV 1 ASSI { 765} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HA )) 2.500 2.500 3.500 peak 765 spectrum 1 weight 0.11000E+01 volume 0.73358E-02 ppm1 7.985 ppm2 4.365 CV 1 ASSI { 766} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HN )) 2.700 0.900 0.900 peak 766 spectrum 1 weight 0.11000E+01 volume 0.12088E-02 ppm1 7.983 ppm2 8.172 CV 1 ASSI { 767} (( segid " " and resid 192 and name HN )) (( segid " " and resid 192 and name HA )) 2.400 0.700 0.700 peak 767 spectrum 1 weight 0.11000E+01 volume 0.71583E-02 ppm1 7.986 ppm2 4.239 CV 1 ASSI { 768} (( segid " " and resid 192 and name HN )) (( segid " " and resid 192 and name HG1 )) 2.400 0.700 0.700 peak 768 spectrum 1 weight 0.11000E+01 volume 0.45951E-02 ppm1 7.986 ppm2 1.279 CV 1 OR { 768} (( segid " " and resid 192 and name HN )) ( segid " " and resid 192 and name HG2%) ASSI { 769} (( segid " " and resid 192 and name HN )) (( segid " " and resid 193 and name HN )) 2.200 2.200 3.800 peak 769 spectrum 1 weight 0.11000E+01 volume 0.68461E-02 ppm1 7.986 ppm2 7.810 CV 1 ASSI { 770} (( segid " " and resid 193 and name HN )) (( segid " " and resid 189 and name HA )) 3.200 3.200 2.800 peak 770 spectrum 1 weight 0.11000E+01 volume 0.31745E-02 ppm1 7.789 ppm2 4.198 CV 1 ASSI { 771} (( segid " " and resid 193 and name HN )) (( segid " " and resid 192 and name HB )) 3.000 3.000 3.000 peak 771 spectrum 1 weight 0.11000E+01 volume 0.48352E-02 ppm1 7.788 ppm2 4.327 CV 1 ASSI { 772} (( segid " " and resid 193 and name HN )) (( segid " " and resid 192 and name HG1 )) 3.700 3.700 2.300 peak 772 spectrum 1 weight 0.11000E+01 volume 0.99550E-03 ppm1 7.788 ppm2 1.271 CV 1 OR { 772} (( segid " " and resid 193 and name HN )) ( segid " " and resid 192 and name HG2%) ASSI { 773} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HB2 )) 3.400 3.400 2.600 peak 773 spectrum 1 weight 0.11000E+01 volume 0.32880E-02 ppm1 7.788 ppm2 1.838 CV 1 ASSI { 774} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HG1 )) 2.500 2.500 3.500 peak 774 spectrum 1 weight 0.11000E+01 volume 0.20607E-02 ppm1 7.791 ppm2 1.484 CV 1 ASSI { 776} (( segid " " and resid 193 and name HN )) (( segid " " and resid 195 and name HG2 )) 3.800 3.800 2.200 peak 776 spectrum 1 weight 0.11000E+01 volume 0.17090E-02 ppm1 7.789 ppm2 1.947 CV 1 ASSI { 777} (( segid " " and resid 194 and name HN )) (( segid " " and resid 191 and name HB )) 3.200 3.200 2.800 peak 777 spectrum 1 weight 0.11000E+01 volume 0.42223E-02 ppm1 8.065 ppm2 4.358 CV 1 ASSI { 778} (( segid " " and resid 194 and name HN )) (( segid " " and resid 193 and name HB2 )) 4.600 4.600 1.400 peak 778 spectrum 1 weight 0.11000E+01 volume 0.37844E-03 ppm1 8.070 ppm2 1.831 CV 1 ASSI { 779} (( segid " " and resid 194 and name HN )) (( segid " " and resid 193 and name HN )) 2.300 0.700 0.700 peak 779 spectrum 1 weight 0.11000E+01 volume 0.55290E-02 ppm1 8.065 ppm2 7.775 CV 1 ASSI { 780} (( segid " " and resid 194 and name HN )) (( segid " " and resid 194 and name HA1 )) 2.900 1.000 1.000 peak 780 spectrum 1 weight 0.11000E+01 volume 0.50051E-02 ppm1 8.065 ppm2 4.100 CV 1 ASSI { 781} (( segid " " and resid 194 and name HN )) (( segid " " and resid 194 and name HA2 )) 2.300 0.700 0.700 peak 781 spectrum 1 weight 0.11000E+01 volume 0.71736E-02 ppm1 8.066 ppm2 3.836 CV 1 ASSI { 782} (( segid " " and resid 194 and name HN )) (( segid " " and resid 195 and name HA )) 4.100 2.100 1.900 peak 782 spectrum 1 weight 0.11000E+01 volume 0.20969E-02 ppm1 8.067 ppm2 4.288 CV 1 ASSI { 783} (( segid " " and resid 194 and name HN )) (( segid " " and resid 195 and name HN )) 2.400 0.700 0.700 peak 783 spectrum 1 weight 0.11000E+01 volume 0.36506E-02 ppm1 8.065 ppm2 7.693 CV 1 ASSI { 784} (( segid " " and resid 195 and name HN )) (( segid " " and resid 192 and name HB )) 3.600 3.600 2.400 peak 784 spectrum 1 weight 0.11000E+01 volume 0.41253E-02 ppm1 7.703 ppm2 4.309 CV 1 ASSI { 785} (( segid " " and resid 195 and name HN )) (( segid " " and resid 193 and name HD2 )) 2.400 0.700 0.700 peak 785 spectrum 1 weight 0.11000E+01 volume 0.81036E-02 ppm1 7.704 ppm2 1.711 CV 1 OR { 785} (( segid " " and resid 195 and name HN )) (( segid " " and resid 193 and name HD1 )) ASSI { 786} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HA2 )) 3.200 1.300 1.300 peak 786 spectrum 1 weight 0.11000E+01 volume 0.26411E-02 ppm1 7.701 ppm2 3.825 CV 1 ASSI { 788} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HB1 )) 2.900 1.000 1.000 peak 788 spectrum 1 weight 0.11000E+01 volume 0.34486E-02 ppm1 7.705 ppm2 1.641 CV 1 ASSI { 789} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HG1 )) 3.600 1.600 1.600 peak 789 spectrum 1 weight 0.11000E+01 volume 0.25403E-02 ppm1 7.703 ppm2 2.096 CV 1 ASSI { 790} (( segid " " and resid 195 and name HN )) (( segid " " and resid 196 and name HN )) 4.200 2.200 1.800 peak 790 spectrum 1 weight 0.11000E+01 volume 0.94307E-03 ppm1 7.705 ppm2 8.465 CV 1 ASSI { 791} (( segid " " and resid 196 and name HN )) (( segid " " and resid 193 and name HD2 )) 1.700 1.700 4.300 peak 791 spectrum 1 weight 0.11000E+01 volume 0.48721E-02 ppm1 8.447 ppm2 1.717 CV 1 OR { 791} (( segid " " and resid 196 and name HN )) (( segid " " and resid 193 and name HD1 )) ASSI { 792} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HA )) 2.200 0.600 0.600 peak 792 spectrum 1 weight 0.11000E+01 volume 0.13050E-01 ppm1 8.448 ppm2 4.268 CV 1 ASSI { 793} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HB1 )) 3.200 1.200 1.200 peak 793 spectrum 1 weight 0.11000E+01 volume 0.16781E-02 ppm1 8.451 ppm2 1.647 CV 1 ASSI { 795} (( segid " " and resid 196 and name HN )) (( segid " " and resid 196 and name HA )) 4.700 4.700 1.300 peak 795 spectrum 1 weight 0.11000E+01 volume 0.15377E-03 ppm1 8.443 ppm2 4.732 CV 1 ASSI { 796} (( segid " " and resid 196 and name HN )) (( segid " " and resid 196 and name HB1 )) 3.300 1.400 1.400 peak 796 spectrum 1 weight 0.11000E+01 volume 0.44476E-02 ppm1 8.446 ppm2 2.655 CV 1 ASSI { 797} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HG1 )) 3.300 1.400 1.400 peak 797 spectrum 1 weight 0.10000E+01 volume 0.14398E-02 ppm1 8.444 ppm2 2.106 CV 1 ASSI { 798} (( segid " " and resid 197 and name HN )) (( segid " " and resid 196 and name HA )) 2.100 0.600 0.600 peak 798 spectrum 1 weight 0.11000E+01 volume 0.12165E-01 ppm1 8.573 ppm2 4.698 CV 1 ASSI { 799} (( segid " " and resid 197 and name HN )) (( segid " " and resid 196 and name HB1 )) 3.500 1.500 1.500 peak 799 spectrum 1 weight 0.11000E+01 volume 0.26360E-02 ppm1 8.574 ppm2 2.669 CV 1 ASSI { 800} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HA )) 2.800 2.800 3.200 peak 800 spectrum 1 weight 0.11000E+01 volume 0.20724E-02 ppm1 8.574 ppm2 5.202 CV 1 ASSI { 801} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HB1 )) 2.900 1.000 1.000 peak 801 spectrum 1 weight 0.11000E+01 volume 0.31952E-02 ppm1 8.573 ppm2 3.206 CV 1 ASSI { 802} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HB2 )) 2.800 1.000 1.000 peak 802 spectrum 1 weight 0.11000E+01 volume 0.50332E-02 ppm1 8.574 ppm2 2.990 CV 1 ASSI { 803} (( segid " " and resid 197 and name HN )) ( segid " " and resid 197 and name HD% ) 3.100 3.100 2.900 peak 803 spectrum 1 weight 0.11000E+01 volume 0.14966E-02 ppm1 8.572 ppm2 7.364 CV 1 ASSI { 805} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HA )) 2.300 2.300 3.700 peak 805 spectrum 1 weight 0.11000E+01 volume 0.55567E-02 ppm1 9.564 ppm2 5.208 CV 1 ASSI { 806} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HB2 )) 4.600 2.700 1.400 peak 806 spectrum 1 weight 0.11000E+01 volume 0.49748E-03 ppm1 9.560 ppm2 2.990 CV 1 ASSI { 807} (( segid " " and resid 198 and name HN )) ( segid " " and resid 197 and name HD% ) 4.200 2.200 1.800 peak 807 spectrum 1 weight 0.11000E+01 volume 0.10359E-02 ppm1 9.564 ppm2 7.342 CV 1 ASSI { 809} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HA )) 3.000 1.100 1.100 peak 809 spectrum 1 weight 0.11000E+01 volume 0.12961E-02 ppm1 9.563 ppm2 4.623 CV 1 ASSI { 810} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HB )) 3.500 1.600 1.600 peak 810 spectrum 1 weight 0.11000E+01 volume 0.56492E-03 ppm1 9.569 ppm2 4.791 CV 1 ASSI { 811} (( segid " " and resid 198 and name HN )) ( segid " " and resid 198 and name HG2%) 2.400 0.700 0.700 peak 811 spectrum 1 weight 0.11000E+01 volume 0.40483E-02 ppm1 9.565 ppm2 1.421 CV 1 ASSI { 812} (( segid " " and resid 198 and name HN )) (( segid " " and resid 201 and name HB2 )) 2.400 2.400 3.600 peak 812 spectrum 1 weight 0.11000E+01 volume 0.13361E-02 ppm1 9.565 ppm2 2.505 CV 1 ASSI { 813} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HA )) 2.400 0.700 0.700 peak 813 spectrum 1 weight 0.11000E+01 volume 0.62127E-02 ppm1 9.066 ppm2 4.619 CV 1 ASSI { 814} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HB )) 3.100 1.200 1.200 peak 814 spectrum 1 weight 0.11000E+01 volume 0.51896E-02 ppm1 9.067 ppm2 4.806 CV 1 ASSI { 815} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HG1 )) 3.200 1.300 1.300 peak 815 spectrum 1 weight 0.11000E+01 volume 0.18305E-02 ppm1 9.065 ppm2 1.423 CV 1 OR { 815} (( segid " " and resid 199 and name HN )) ( segid " " and resid 198 and name HG2%) ASSI { 816} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HA )) 2.700 0.900 0.900 peak 816 spectrum 1 weight 0.11000E+01 volume 0.29416E-02 ppm1 9.067 ppm2 4.063 CV 1 ASSI { 817} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HB2 )) 2.500 0.800 0.800 peak 817 spectrum 1 weight 0.11000E+01 volume 0.58085E-02 ppm1 9.067 ppm2 2.107 CV 1 OR { 817} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HB1 )) ASSI { 818} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HG1 )) 4.300 2.300 1.700 peak 818 spectrum 1 weight 0.11000E+01 volume 0.12239E-02 ppm1 9.067 ppm2 2.396 CV 1 ASSI { 819} (( segid " " and resid 199 and name HN )) (( segid " " and resid 200 and name HN )) 2.900 1.000 1.000 peak 819 spectrum 1 weight 0.11000E+01 volume 0.20747E-02 ppm1 9.066 ppm2 7.929 CV 1 ASSI { 820} (( segid " " and resid 200 and name HN )) (( segid " " and resid 198 and name HA )) 4.300 2.300 1.700 peak 820 spectrum 1 weight 0.11000E+01 volume 0.63832E-03 ppm1 7.914 ppm2 4.629 CV 1 ASSI { 821} (( segid " " and resid 200 and name HN )) (( segid " " and resid 198 and name HB )) 4.300 2.300 1.700 peak 821 spectrum 1 weight 0.11000E+01 volume 0.19620E-02 ppm1 7.916 ppm2 4.798 CV 1 ASSI { 822} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HB1 )) 2.900 1.000 1.000 peak 822 spectrum 1 weight 0.11000E+01 volume 0.22276E-02 ppm1 7.914 ppm2 2.098 CV 1 OR { 822} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HB2 )) ASSI { 824} (( segid " " and resid 200 and name HN )) (( segid " " and resid 200 and name HA )) 2.400 0.700 0.700 peak 824 spectrum 1 weight 0.11000E+01 volume 0.58917E-02 ppm1 7.914 ppm2 3.771 CV 1 ASSI { 825} (( segid " " and resid 200 and name HN )) (( segid " " and resid 200 and name HB )) 2.400 0.700 0.700 peak 825 spectrum 1 weight 0.11000E+01 volume 0.58917E-02 ppm1 7.915 ppm2 3.739 CV 1 ASSI { 826} (( segid " " and resid 200 and name HN )) (( segid " " and resid 200 and name HG1 )) 3.300 1.300 1.300 peak 826 spectrum 1 weight 0.11000E+01 volume 0.11411E-02 ppm1 7.915 ppm2 0.646 CV 1 OR { 826} (( segid " " and resid 200 and name HN )) ( segid " " and resid 200 and name HG2%) ASSI { 827} (( segid " " and resid 200 and name HN )) (( segid " " and resid 201 and name HN )) 2.700 0.900 0.900 peak 827 spectrum 1 weight 0.11000E+01 volume 0.23494E-02 ppm1 7.915 ppm2 7.490 CV 1 ASSI { 828} (( segid " " and resid 200 and name HN )) (( segid " " and resid 202 and name HN )) 4.100 2.100 1.900 peak 828 spectrum 1 weight 0.11000E+01 volume 0.41431E-03 ppm1 7.915 ppm2 8.069 CV 1 ASSI { 829} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HA )) 3.400 1.500 1.500 peak 829 spectrum 1 weight 0.10000E+01 volume 0.85430E-03 ppm1 7.913 ppm2 4.052 CV 1 ASSI { 830} (( segid " " and resid 200 and name HN )) (( segid " " and resid 203 and name HG2 )) 4.600 2.700 1.400 peak 830 spectrum 1 weight 0.11000E+01 volume 0.51326E-03 ppm1 7.917 ppm2 1.420 CV 1 ASSI { 831} (( segid " " and resid 201 and name HN )) (( segid " " and resid 197 and name HA )) 5.700 5.700 0.300 peak 831 spectrum 1 weight 0.11000E+01 volume 0.26318E-03 ppm1 7.480 ppm2 5.221 CV 1 ASSI { 832} (( segid " " and resid 201 and name HN )) (( segid " " and resid 198 and name HB )) 4.600 2.700 1.400 peak 832 spectrum 1 weight 0.11000E+01 volume 0.96845E-03 ppm1 7.482 ppm2 4.792 CV 1 ASSI { 833} (( segid " " and resid 201 and name HN )) (( segid " " and resid 198 and name HN )) 3.500 1.500 1.500 peak 833 spectrum 1 weight 0.11000E+01 volume 0.67607E-03 ppm1 7.481 ppm2 9.585 CV 1 ASSI { 834} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HA )) 3.300 1.400 1.400 peak 834 spectrum 1 weight 0.11000E+01 volume 0.12746E-02 ppm1 7.483 ppm2 3.790 CV 1 ASSI { 835} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HB )) 2.700 0.900 0.900 peak 835 spectrum 1 weight 0.11000E+01 volume 0.30830E-02 ppm1 7.479 ppm2 3.724 CV 1 ASSI { 837} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HA )) 2.800 0.900 0.900 peak 837 spectrum 1 weight 0.11000E+01 volume 0.17021E-02 ppm1 7.479 ppm2 4.510 CV 1 ASSI { 838} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HB2 )) 2.800 2.800 3.200 peak 838 spectrum 1 weight 0.11000E+01 volume 0.14678E-02 ppm1 7.478 ppm2 2.503 CV 1 ASSI { 839} (( segid " " and resid 201 and name HN )) (( segid " " and resid 202 and name HB )) 5.300 3.500 0.700 peak 839 spectrum 1 weight 0.11000E+01 volume 0.39533E-03 ppm1 7.485 ppm2 1.963 CV 1 ASSI { 840} (( segid " " and resid 201 and name HN )) (( segid " " and resid 202 and name HN )) 2.600 0.800 0.800 peak 840 spectrum 1 weight 0.11000E+01 volume 0.20906E-02 ppm1 7.482 ppm2 8.082 CV 1 ASSI { 841} (( segid " " and resid 201 and name HN )) ( segid " " and resid 204 and name HD1%) 4.200 2.200 1.800 peak 841 spectrum 1 weight 0.11000E+01 volume 0.11567E-02 ppm1 7.480 ppm2 0.647 CV 1 ASSI { 842} (( segid " " and resid 201 and name HN )) (( segid " " and resid 204 and name HN )) 4.100 2.100 1.900 peak 842 spectrum 1 weight 0.11000E+01 volume 0.97054E-03 ppm1 7.467 ppm2 7.975 CV 1 ASSI { 843} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HG12)) 2.400 0.700 0.700 peak 843 spectrum 1 weight 0.11000E+01 volume 0.89795E-03 ppm1 8.077 ppm2 1.273 CV 1 ASSI { 844} (( segid " " and resid 202 and name HN )) (( segid " " and resid 203 and name HN )) 2.200 0.600 0.600 peak 844 spectrum 1 weight 0.11000E+01 volume 0.59793E-02 ppm1 8.069 ppm2 7.758 CV 1 ASSI { 845} (( segid " " and resid 202 and name HN )) ( segid " " and resid 204 and name HG2%) 4.300 2.300 1.700 peak 845 spectrum 1 weight 0.11000E+01 volume 0.70259E-03 ppm1 8.078 ppm2 0.801 CV 1 ASSI { 848} (( segid " " and resid 203 and name HN )) (( segid " " and resid 202 and name HG11)) 3.700 1.700 1.700 peak 848 spectrum 1 weight 0.11000E+01 volume 0.32759E-02 ppm1 7.735 ppm2 1.551 CV 1 ASSI { 850} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HB1 )) 3.000 1.100 1.100 peak 850 spectrum 1 weight 0.11000E+01 volume 0.13186E-02 ppm1 7.717 ppm2 1.893 CV 1 ASSI { 851} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HB2 )) 3.000 1.100 1.100 peak 851 spectrum 1 weight 0.11000E+01 volume 0.54932E-02 ppm1 7.717 ppm2 1.641 CV 1 ASSI { 852} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HG2 )) 2.300 0.600 0.600 peak 852 spectrum 1 weight 0.11000E+01 volume 0.56124E-02 ppm1 7.711 ppm2 1.407 CV 1 ASSI { 853} (( segid " " and resid 203 and name HN )) (( segid " " and resid 204 and name HB )) 3.300 3.300 2.700 peak 853 spectrum 1 weight 0.11000E+01 volume 0.73198E-02 ppm1 7.751 ppm2 1.939 CV 1 ASSI { 854} (( segid " " and resid 203 and name HN )) ( segid " " and resid 204 and name HG2%) 4.100 2.100 1.900 peak 854 spectrum 1 weight 0.11000E+01 volume 0.20642E-02 ppm1 7.724 ppm2 0.775 CV 1 ASSI { 855} (( segid " " and resid 203 and name HN )) (( segid " " and resid 206 and name HB2 )) 3.000 3.000 3.000 peak 855 spectrum 1 weight 0.11000E+01 volume 0.51189E-02 ppm1 7.753 ppm2 1.965 CV 1 ASSI { 856} (( segid " " and resid 204 and name HN )) (( segid " " and resid 201 and name HA )) 5.200 3.400 0.800 peak 856 spectrum 1 weight 0.11000E+01 volume 0.24344E-03 ppm1 7.976 ppm2 4.519 CV 1 ASSI { 857} (( segid " " and resid 204 and name HN )) (( segid " " and resid 202 and name HB )) 3.600 1.600 1.600 peak 857 spectrum 1 weight 0.11000E+01 volume 0.40621E-02 ppm1 7.975 ppm2 1.947 CV 1 ASSI { 858} (( segid " " and resid 204 and name HN )) ( segid " " and resid 202 and name HD1%) 3.800 3.800 2.200 peak 858 spectrum 1 weight 0.11000E+01 volume 0.28041E-02 ppm1 7.976 ppm2 0.707 CV 1 ASSI { 859} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HA )) 4.000 2.000 2.000 peak 859 spectrum 1 weight 0.11000E+01 volume 0.48203E-03 ppm1 7.969 ppm2 4.050 CV 1 ASSI { 860} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HB1 )) 3.200 1.300 1.300 peak 860 spectrum 1 weight 0.11000E+01 volume 0.54944E-02 ppm1 7.980 ppm2 1.895 CV 1 ASSI { 861} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HG1 )) 1.600 0.300 0.600 peak 861 spectrum 1 weight 0.11000E+01 volume 0.28069E-02 ppm1 7.979 ppm2 1.572 CV 1 ASSI { 862} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HN )) 2.800 1.000 1.000 peak 862 spectrum 1 weight 0.11000E+01 volume 0.27756E-02 ppm1 7.976 ppm2 7.756 CV 1 ASSI { 863} (( segid " " and resid 204 and name HN )) (( segid " " and resid 204 and name HA )) 2.700 0.900 0.900 peak 863 spectrum 1 weight 0.11000E+01 volume 0.12182E-02 ppm1 7.981 ppm2 3.605 CV 1 ASSI { 864} (( segid " " and resid 204 and name HN )) ( segid " " and resid 204 and name HD1%) 3.700 1.700 1.700 peak 864 spectrum 1 weight 0.11000E+01 volume 0.20964E-02 ppm1 7.994 ppm2 0.676 CV 1 ASSI { 865} (( segid " " and resid 204 and name HN )) (( segid " " and resid 204 and name HG12)) 2.200 2.200 3.800 peak 865 spectrum 1 weight 0.11000E+01 volume 0.13090E-02 ppm1 7.985 ppm2 0.784 CV 1 ASSI { 866} (( segid " " and resid 204 and name HN )) ( segid " " and resid 204 and name HG2%) 3.300 1.300 1.300 peak 866 spectrum 1 weight 0.11000E+01 volume 0.64860E-03 ppm1 7.981 ppm2 0.816 CV 1 ASSI { 867} (( segid " " and resid 204 and name HN )) (( segid " " and resid 205 and name HN )) 3.000 1.200 1.200 peak 867 spectrum 1 weight 0.11000E+01 volume 0.18527E-02 ppm1 7.979 ppm2 8.826 CV 1 ASSI { 868} (( segid " " and resid 205 and name HN )) (( segid " " and resid 202 and name HA )) 3.000 3.000 3.000 peak 868 spectrum 1 weight 0.11000E+01 volume 0.25596E-02 ppm1 8.814 ppm2 3.476 CV 1 ASSI { 870} (( segid " " and resid 205 and name HN )) (( segid " " and resid 203 and name HG1 )) 5.000 3.100 1.000 peak 870 spectrum 1 weight 0.11000E+01 volume 0.59808E-03 ppm1 8.814 ppm2 1.574 CV 1 ASSI { 871} (( segid " " and resid 205 and name HN )) (( segid " " and resid 204 and name HA )) 3.600 1.600 1.600 peak 871 spectrum 1 weight 0.11000E+01 volume 0.54144E-03 ppm1 8.812 ppm2 3.629 CV 1 ASSI { 873} (( segid " " and resid 205 and name HN )) (( segid " " and resid 206 and name HB2 )) 3.100 3.100 2.900 peak 873 spectrum 1 weight 0.11000E+01 volume 0.51465E-02 ppm1 8.814 ppm2 1.966 CV 1 ASSI { 875} (( segid " " and resid 205 and name HN )) (( segid " " and resid 207 and name HG2 )) 6.000 6.000 0.000 peak 875 spectrum 1 weight 0.11000E+01 volume 0.10556E-04 ppm1 8.815 ppm2 1.794 CV 1 ASSI { 876} (( segid " " and resid 205 and name HN )) (( segid " " and resid 207 and name HN )) 4.300 4.300 1.700 peak 876 spectrum 1 weight 0.11000E+01 volume 0.15759E-03 ppm1 8.978 ppm2 7.222 CV 1 ASSI { 877} (( segid " " and resid 205 and name HN )) (( segid " " and resid 208 and name HB )) 3.300 3.300 2.700 peak 877 spectrum 1 weight 0.11000E+01 volume 0.23243E-02 ppm1 8.815 ppm2 2.109 CV 1 ASSI { 878} (( segid " " and resid 205 and name HN )) ( segid " " and resid 208 and name HG2%) 4.600 2.700 1.400 peak 878 spectrum 1 weight 0.11000E+01 volume 0.22018E-03 ppm1 8.802 ppm2 1.007 CV 1 ASSI { 880} (( segid " " and resid 206 and name HN )) (( segid " " and resid 203 and name HA )) 4.100 2.100 1.900 peak 880 spectrum 1 weight 0.11000E+01 volume 0.27640E-03 ppm1 8.530 ppm2 4.042 CV 1 ASSI { 881} (( segid " " and resid 206 and name HN )) (( segid " " and resid 203 and name HG1 )) 3.600 3.600 2.400 peak 881 spectrum 1 weight 0.11000E+01 volume 0.19292E-02 ppm1 8.510 ppm2 1.562 CV 1 ASSI { 882} (( segid " " and resid 206 and name HN )) (( segid " " and resid 204 and name HA )) 3.100 3.100 2.900 peak 882 spectrum 1 weight 0.11000E+01 volume 0.25916E-02 ppm1 8.517 ppm2 3.630 CV 1 ASSI { 883} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HA )) 3.800 1.800 1.800 peak 883 spectrum 1 weight 0.11000E+01 volume 0.52486E-03 ppm1 8.519 ppm2 3.459 CV 1 ASSI { 885} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HB1 )) 2.200 2.200 3.800 peak 885 spectrum 1 weight 0.11000E+01 volume 0.45140E-02 ppm1 8.516 ppm2 2.009 CV 1 ASSI { 886} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HG1 )) 3.900 1.900 1.900 peak 886 spectrum 1 weight 0.11000E+01 volume 0.15747E-02 ppm1 8.515 ppm2 2.091 CV 1 ASSI { 887} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HN )) 2.600 0.800 0.800 peak 887 spectrum 1 weight 0.11000E+01 volume 0.19637E-02 ppm1 8.516 ppm2 8.829 CV 1 ASSI { 888} (( segid " " and resid 206 and name HN )) (( segid " " and resid 206 and name HB1 )) 3.000 1.200 1.200 peak 888 spectrum 1 weight 0.11000E+01 volume 0.53208E-02 ppm1 8.517 ppm2 2.211 CV 1 ASSI { 890} (( segid " " and resid 206 and name HN )) ( segid " " and resid 208 and name HG2%) 4.500 2.500 1.500 peak 890 spectrum 1 weight 0.11000E+01 volume 0.51519E-03 ppm1 8.521 ppm2 1.031 CV 1 ASSI { 891} (( segid " " and resid 206 and name HN )) ( segid " " and resid 209 and name HG1%) 5.500 3.800 0.500 peak 891 spectrum 1 weight 0.11000E+01 volume 0.15260E-03 ppm1 8.524 ppm2 0.957 CV 1 ASSI { 893} (( segid " " and resid 207 and name HE )) (( segid " " and resid 203 and name HB1 )) 2.400 2.400 3.600 peak 893 spectrum 1 weight 0.11000E+01 volume 0.62591E-03 ppm1 7.313 ppm2 1.864 CV 1 ASSI { 894} (( segid " " and resid 207 and name HE )) (( segid " " and resid 207 and name HD2 )) 3.000 3.000 3.000 peak 894 spectrum 1 weight 0.11000E+01 volume 0.14702E-02 ppm1 7.310 ppm2 3.202 CV 1 ASSI { 895} (( segid " " and resid 207 and name HE )) (( segid " " and resid 211 and name HE22)) 4.300 4.300 1.700 peak 895 spectrum 1 weight 0.11000E+01 volume 0.55306E-03 ppm1 7.312 ppm2 6.849 CV 1 ASSI { 897} (( segid " " and resid 207 and name HN )) (( segid " " and resid 204 and name HA )) 3.600 1.700 1.700 peak 897 spectrum 1 weight 0.11000E+01 volume 0.14269E-02 ppm1 7.214 ppm2 3.621 CV 1 ASSI { 898} (( segid " " and resid 207 and name HN )) (( segid " " and resid 205 and name HA )) 4.700 2.700 1.300 peak 898 spectrum 1 weight 0.11000E+01 volume 0.15585E-03 ppm1 7.211 ppm2 3.464 CV 1 ASSI { 899} (( segid " " and resid 207 and name HN )) (( segid " " and resid 205 and name HG1 )) 3.800 1.800 1.800 peak 899 spectrum 1 weight 0.11000E+01 volume 0.21506E-02 ppm1 7.217 ppm2 2.081 CV 1 ASSI { 900} (( segid " " and resid 207 and name HN )) (( segid " " and resid 206 and name HB1 )) 3.500 1.500 1.500 peak 900 spectrum 1 weight 0.11000E+01 volume 0.24182E-02 ppm1 7.215 ppm2 2.211 CV 1 ASSI { 901} (( segid " " and resid 207 and name HN )) (( segid " " and resid 206 and name HN )) 2.600 0.900 0.900 peak 901 spectrum 1 weight 0.11000E+01 volume 0.19008E-02 ppm1 7.214 ppm2 8.531 CV 1 ASSI { 902} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HA )) 3.000 1.100 1.100 peak 902 spectrum 1 weight 0.11000E+01 volume 0.20946E-02 ppm1 7.215 ppm2 4.164 CV 1 ASSI { 903} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HB1 )) 2.600 0.800 0.800 peak 903 spectrum 1 weight 0.11000E+01 volume 0.32730E-02 ppm1 7.214 ppm2 1.918 CV 1 ASSI { 904} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HG2 )) 3.800 1.800 1.800 peak 904 spectrum 1 weight 0.11000E+01 volume 0.76335E-03 ppm1 7.214 ppm2 1.788 CV 1 ASSI { 905} (( segid " " and resid 207 and name HN )) ( segid " " and resid 208 and name HG2%) 4.600 2.700 1.400 peak 905 spectrum 1 weight 0.11000E+01 volume 0.71029E-03 ppm1 7.218 ppm2 1.014 CV 1 ASSI { 906} (( segid " " and resid 207 and name HN )) (( segid " " and resid 208 and name HN )) 2.500 0.800 0.800 peak 906 spectrum 1 weight 0.11000E+01 volume 0.28398E-02 ppm1 7.214 ppm2 8.281 CV 1 ASSI { 907} (( segid " " and resid 207 and name HN )) ( segid " " and resid 209 and name HG1%) 4.800 2.900 1.200 peak 907 spectrum 1 weight 0.11000E+01 volume 0.21779E-03 ppm1 7.205 ppm2 0.965 CV 1 ASSI { 909} (( segid " " and resid 208 and name HN )) (( segid " " and resid 138 and name HG11)) 6.000 5.000 0.000 peak 909 spectrum 1 weight 0.11000E+01 volume 0.18937E-03 ppm1 8.265 ppm2 0.716 CV 1 ASSI { 910} (( segid " " and resid 208 and name HN )) (( segid " " and resid 204 and name HB )) 3.600 1.700 1.700 peak 910 spectrum 1 weight 0.11000E+01 volume 0.14288E-02 ppm1 8.267 ppm2 1.935 CV 1 ASSI { 911} (( segid " " and resid 208 and name HN )) (( segid " " and resid 205 and name HA )) 2.700 0.900 0.900 peak 911 spectrum 1 weight 0.11000E+01 volume 0.27713E-02 ppm1 8.268 ppm2 3.480 CV 1 ASSI { 912} (( segid " " and resid 208 and name HN )) (( segid " " and resid 205 and name HG2 )) 3.000 3.000 3.000 peak 912 spectrum 1 weight 0.11000E+01 volume 0.48360E-02 ppm1 8.274 ppm2 2.099 CV 1 OR { 912} (( segid " " and resid 208 and name HN )) (( segid " " and resid 205 and name HG1 )) ASSI { 913} (( segid " " and resid 208 and name HN )) (( segid " " and resid 206 and name HA )) 4.100 2.100 1.900 peak 913 spectrum 1 weight 0.11000E+01 volume 0.53117E-03 ppm1 8.274 ppm2 3.635 CV 1 ASSI { 914} (( segid " " and resid 208 and name HN )) (( segid " " and resid 207 and name HA )) 4.300 2.300 1.700 peak 914 spectrum 1 weight 0.11000E+01 volume 0.32638E-03 ppm1 8.262 ppm2 4.171 CV 1 ASSI { 916} (( segid " " and resid 208 and name HN )) ( segid " " and resid 208 and name HG1%) 4.100 2.100 1.900 peak 916 spectrum 1 weight 0.11000E+01 volume 0.11101E-02 ppm1 8.265 ppm2 1.100 CV 1 ASSI { 917} (( segid " " and resid 208 and name HN )) ( segid " " and resid 208 and name HG2%) 2.300 0.700 0.700 peak 917 spectrum 1 weight 0.11000E+01 volume 0.47327E-02 ppm1 8.269 ppm2 1.028 CV 1 ASSI { 918} (( segid " " and resid 208 and name HN )) (( segid " " and resid 209 and name HB )) 3.900 1.900 1.900 peak 918 spectrum 1 weight 0.11000E+01 volume 0.15439E-02 ppm1 8.269 ppm2 2.181 CV 1 ASSI { 919} (( segid " " and resid 208 and name HN )) ( segid " " and resid 209 and name HG1%) 3.200 1.300 1.300 peak 919 spectrum 1 weight 0.11000E+01 volume 0.33933E-02 ppm1 8.269 ppm2 0.963 CV 1 ASSI { 920} (( segid " " and resid 208 and name HN )) (( segid " " and resid 209 and name HN )) 2.600 0.800 0.800 peak 920 spectrum 1 weight 0.11000E+01 volume 0.22558E-02 ppm1 8.269 ppm2 9.009 CV 1 ASSI { 921} (( segid " " and resid 208 and name HN )) (( segid " " and resid 210 and name HN )) 4.200 2.200 1.800 peak 921 spectrum 1 weight 0.11000E+01 volume 0.25514E-03 ppm1 8.263 ppm2 8.159 CV 1 ASSI { 922} (( segid " " and resid 209 and name HN )) (( segid " " and resid 205 and name HA )) 3.400 1.400 1.400 peak 922 spectrum 1 weight 0.11000E+01 volume 0.92834E-03 ppm1 8.998 ppm2 3.434 CV 1 ASSI { 923} (( segid " " and resid 209 and name HN )) (( segid " " and resid 206 and name HA )) 3.100 1.200 1.200 peak 923 spectrum 1 weight 0.11000E+01 volume 0.20210E-02 ppm1 8.999 ppm2 3.636 CV 1 ASSI { 924} (( segid " " and resid 209 and name HN )) (( segid " " and resid 206 and name HB1 )) 3.300 3.300 2.700 peak 924 spectrum 1 weight 0.11000E+01 volume 0.43445E-02 ppm1 8.995 ppm2 2.199 CV 1 ASSI { 925} (( segid " " and resid 209 and name HN )) (( segid " " and resid 207 and name HB1 )) 5.100 3.300 0.900 peak 925 spectrum 1 weight 0.11000E+01 volume 0.40549E-03 ppm1 8.995 ppm2 1.929 CV 1 ASSI { 926} (( segid " " and resid 209 and name HN )) (( segid " " and resid 207 and name HN )) 4.400 2.400 1.600 peak 926 spectrum 1 weight 0.11000E+01 volume 0.30870E-03 ppm1 8.994 ppm2 7.222 CV 1 ASSI { 927} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HA )) 3.400 3.400 2.600 peak 927 spectrum 1 weight 0.11000E+01 volume 0.95580E-03 ppm1 8.996 ppm2 3.479 CV 1 ASSI { 928} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HB )) 2.500 0.800 0.800 peak 928 spectrum 1 weight 0.11000E+01 volume 0.28611E-02 ppm1 8.995 ppm2 2.109 CV 1 ASSI { 929} (( segid " " and resid 209 and name HN )) ( segid " " and resid 208 and name HG1%) 3.600 1.600 1.600 peak 929 spectrum 1 weight 0.11000E+01 volume 0.12618E-02 ppm1 8.995 ppm2 1.100 CV 1 ASSI { 930} (( segid " " and resid 209 and name HN )) ( segid " " and resid 208 and name HG2%) 3.700 3.700 2.300 peak 930 spectrum 1 weight 0.11000E+01 volume 0.19903E-02 ppm1 8.976 ppm2 1.000 CV 1 ASSI { 932} (( segid " " and resid 209 and name HN )) ( segid " " and resid 209 and name HG1%) 2.800 1.000 1.000 peak 932 spectrum 1 weight 0.11000E+01 volume 0.42490E-02 ppm1 8.997 ppm2 0.977 CV 1 ASSI { 933} (( segid " " and resid 209 and name HN )) ( segid " " and resid 209 and name HG2%) 4.100 2.100 1.900 peak 933 spectrum 1 weight 0.11000E+01 volume 0.12155E-02 ppm1 9.000 ppm2 1.218 CV 1 ASSI { 934} (( segid " " and resid 209 and name HN )) (( segid " " and resid 210 and name HB1 )) 3.200 1.300 1.300 peak 934 spectrum 1 weight 0.11000E+01 volume 0.43445E-02 ppm1 8.996 ppm2 2.163 CV 1 ASSI { 935} (( segid " " and resid 209 and name HN )) (( segid " " and resid 210 and name HN )) 2.900 1.000 1.000 peak 935 spectrum 1 weight 0.11000E+01 volume 0.13147E-02 ppm1 8.999 ppm2 8.153 CV 1 ASSI { 936} (( segid " " and resid 209 and name HN )) (( segid " " and resid 211 and name HN )) 4.400 2.400 1.600 peak 936 spectrum 1 weight 0.11000E+01 volume 0.31699E-03 ppm1 9.000 ppm2 7.222 CV 1 ASSI { 937} (( segid " " and resid 210 and name HN )) (( segid " " and resid 207 and name HA )) 3.900 1.900 1.900 peak 937 spectrum 1 weight 0.11000E+01 volume 0.75922E-03 ppm1 8.138 ppm2 4.145 CV 1 ASSI { 938} (( segid " " and resid 210 and name HN )) (( segid " " and resid 207 and name HN )) 3.300 1.400 1.400 peak 938 spectrum 1 weight 0.11000E+01 volume 0.14222E-02 ppm1 8.143 ppm2 7.232 CV 1 ASSI { 939} (( segid " " and resid 210 and name HN )) (( segid " " and resid 208 and name HA )) 3.300 1.400 1.400 peak 939 spectrum 1 weight 0.11000E+01 volume 0.12351E-02 ppm1 8.144 ppm2 3.518 CV 1 ASSI { 940} (( segid " " and resid 210 and name HN )) ( segid " " and resid 208 and name HG2%) 3.800 1.800 1.800 peak 940 spectrum 1 weight 0.11000E+01 volume 0.18991E-02 ppm1 8.141 ppm2 1.029 CV 1 ASSI { 941} (( segid " " and resid 210 and name HN )) (( segid " " and resid 209 and name HA )) 3.300 1.400 1.400 peak 941 spectrum 1 weight 0.11000E+01 volume 0.95505E-03 ppm1 8.155 ppm2 3.650 CV 1 ASSI { 942} (( segid " " and resid 210 and name HN )) ( segid " " and resid 209 and name HG1%) 2.700 0.900 0.900 peak 942 spectrum 1 weight 0.11000E+01 volume 0.17028E-02 ppm1 8.134 ppm2 0.948 CV 1 ASSI { 943} (( segid " " and resid 210 and name HN )) ( segid " " and resid 209 and name HG2%) 4.500 2.600 1.500 peak 943 spectrum 1 weight 0.11000E+01 volume 0.67744E-03 ppm1 8.142 ppm2 1.211 CV 1 ASSI { 945} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HA )) 2.900 1.000 1.000 peak 945 spectrum 1 weight 0.11000E+01 volume 0.21060E-02 ppm1 8.137 ppm2 3.570 CV 1 ASSI { 946} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HB1 )) 2.000 0.500 0.500 peak 946 spectrum 1 weight 0.11000E+01 volume 0.76541E-02 ppm1 8.140 ppm2 2.167 CV 1 ASSI { 947} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HG1 )) 3.300 1.400 1.400 peak 947 spectrum 1 weight 0.11000E+01 volume 0.67789E-02 ppm1 8.137 ppm2 2.127 CV 1 ASSI { 948} (( segid " " and resid 210 and name HN )) (( segid " " and resid 211 and name HG2 )) 5.200 5.200 0.800 peak 948 spectrum 1 weight 0.11000E+01 volume 0.20964E-03 ppm1 8.134 ppm2 2.370 CV 1 ASSI { 949} (( segid " " and resid 210 and name HN )) (( segid " " and resid 211 and name HN )) 3.000 1.100 1.100 peak 949 spectrum 1 weight 0.11000E+01 volume 0.13025E-02 ppm1 8.132 ppm2 7.220 CV 1 ASSI { 950} (( segid " " and resid 211 and name HN )) (( segid " " and resid 207 and name HA )) 4.800 2.900 1.200 peak 950 spectrum 1 weight 0.11000E+01 volume 0.20001E-03 ppm1 7.206 ppm2 4.144 CV 1 ASSI { 951} (( segid " " and resid 211 and name HN )) (( segid " " and resid 208 and name HA )) 3.500 1.500 1.500 peak 951 spectrum 1 weight 0.11000E+01 volume 0.85040E-03 ppm1 7.214 ppm2 3.540 CV 1 ASSI { 952} (( segid " " and resid 211 and name HN )) ( segid " " and resid 208 and name HG2%) 4.800 2.800 1.200 peak 952 spectrum 1 weight 0.11000E+01 volume 0.36571E-03 ppm1 7.196 ppm2 1.041 CV 1 ASSI { 953} (( segid " " and resid 211 and name HN )) (( segid " " and resid 210 and name HG1 )) 2.900 1.000 1.000 peak 953 spectrum 1 weight 0.11000E+01 volume 0.60810E-02 ppm1 7.212 ppm2 2.143 CV 1 ASSI { 954} (( segid " " and resid 211 and name HN )) (( segid " " and resid 210 and name HG2 )) 3.200 1.300 1.300 peak 954 spectrum 1 weight 0.11000E+01 volume 0.89622E-03 ppm1 7.213 ppm2 2.343 CV 1 ASSI { 956} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HA )) 3.100 1.200 1.200 peak 956 spectrum 1 weight 0.11000E+01 volume 0.16482E-02 ppm1 7.213 ppm2 3.967 CV 1 ASSI { 957} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HB2 )) 3.500 1.600 1.600 peak 957 spectrum 1 weight 0.11000E+01 volume 0.27368E-02 ppm1 7.206 ppm2 2.217 CV 1 ASSI { 958} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HG1 )) 3.200 1.300 1.300 peak 958 spectrum 1 weight 0.11000E+01 volume 0.13877E-02 ppm1 7.213 ppm2 2.487 CV 1 ASSI { 959} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HG2 )) 3.000 1.100 1.100 peak 959 spectrum 1 weight 0.11000E+01 volume 0.21600E-02 ppm1 7.214 ppm2 2.419 CV 1 ASSI { 960} (( segid " " and resid 211 and name HN )) ( segid " " and resid 212 and name HE% ) 3.500 3.500 2.500 peak 960 spectrum 1 weight 0.11000E+01 volume 0.53500E-02 ppm1 7.213 ppm2 2.181 CV 1 ASSI { 961} (( segid " " and resid 211 and name HN )) (( segid " " and resid 212 and name HG2 )) 6.000 4.600 0.000 peak 961 spectrum 1 weight 0.11000E+01 volume 0.17039E-03 ppm1 7.213 ppm2 2.505 CV 1 ASSI { 962} (( segid " " and resid 211 and name HN )) (( segid " " and resid 212 and name HN )) 2.900 1.000 1.000 peak 962 spectrum 1 weight 0.11000E+01 volume 0.14288E-02 ppm1 7.213 ppm2 7.987 CV 1 ASSI { 963} (( segid " " and resid 211 and name HN )) (( segid " " and resid 213 and name HB1 )) 4.000 2.000 2.000 peak 963 spectrum 1 weight 0.11000E+01 volume 0.78392E-03 ppm1 7.205 ppm2 3.546 CV 1 ASSI { 964} (( segid " " and resid 212 and name HN )) (( segid " " and resid 209 and name HA )) 3.700 1.700 1.700 peak 964 spectrum 1 weight 0.11000E+01 volume 0.91266E-03 ppm1 7.975 ppm2 3.651 CV 1 ASSI { 965} (( segid " " and resid 212 and name HN )) ( segid " " and resid 209 and name HG1%) 4.200 2.200 1.800 peak 965 spectrum 1 weight 0.11000E+01 volume 0.71195E-03 ppm1 7.979 ppm2 0.967 CV 1 ASSI { 966} (( segid " " and resid 212 and name HN )) (( segid " " and resid 210 and name HB1 )) 3.300 3.300 2.700 peak 966 spectrum 1 weight 0.11000E+01 volume 0.44607E-02 ppm1 7.978 ppm2 2.162 CV 1 ASSI { 967} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HA )) 3.900 1.900 1.900 peak 967 spectrum 1 weight 0.11000E+01 volume 0.52116E-03 ppm1 7.975 ppm2 3.964 CV 1 ASSI { 968} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HB2 )) 3.500 1.500 1.500 peak 968 spectrum 1 weight 0.11000E+01 volume 0.22215E-02 ppm1 7.981 ppm2 2.235 CV 1 ASSI { 969} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HG1 )) 2.600 0.900 0.900 peak 969 spectrum 1 weight 0.11000E+01 volume 0.19452E-02 ppm1 7.979 ppm2 2.460 CV 1 ASSI { 971} (( segid " " and resid 212 and name HN )) (( segid " " and resid 212 and name HA )) 3.000 1.100 1.100 peak 971 spectrum 1 weight 0.11000E+01 volume 0.12836E-02 ppm1 7.977 ppm2 4.131 CV 1 ASSI { 972} (( segid " " and resid 212 and name HN )) (( segid " " and resid 212 and name HG1 )) 2.700 0.900 0.900 peak 972 spectrum 1 weight 0.11000E+01 volume 0.16787E-02 ppm1 7.978 ppm2 2.752 CV 1 ASSI { 973} (( segid " " and resid 212 and name HN )) (( segid " " and resid 213 and name HB1 )) 4.900 3.000 1.100 peak 973 spectrum 1 weight 0.11000E+01 volume 0.47339E-03 ppm1 7.978 ppm2 3.561 CV 1 ASSI { 974} (( segid " " and resid 212 and name HN )) (( segid " " and resid 213 and name HN )) 2.800 1.000 1.000 peak 974 spectrum 1 weight 0.11000E+01 volume 0.16573E-02 ppm1 7.979 ppm2 9.253 CV 1 ASSI { 975} (( segid " " and resid 212 and name HN )) (( segid " " and resid 215 and name HN )) 4.200 2.200 1.800 peak 975 spectrum 1 weight 0.11000E+01 volume 0.55003E-03 ppm1 7.975 ppm2 8.087 CV 1 ASSI { 976} (( segid " " and resid 213 and name HN )) ( segid " " and resid 160 and name HG2%) 4.700 2.800 1.300 peak 976 spectrum 1 weight 0.11000E+01 volume 0.31950E-03 ppm1 9.241 ppm2 0.772 CV 1 ASSI { 977} (( segid " " and resid 213 and name HN )) ( segid " " and resid 175 and name HG1%) 4.300 2.300 1.700 peak 977 spectrum 1 weight 0.11000E+01 volume 0.14352E-02 ppm1 9.239 ppm2 1.041 CV 1 ASSI { 978} (( segid " " and resid 213 and name HN )) ( segid " " and resid 175 and name HG2%) 5.700 5.700 0.300 peak 978 spectrum 1 weight 0.11000E+01 volume 0.20219E-03 ppm1 9.226 ppm2 1.130 CV 1 ASSI { 979} (( segid " " and resid 213 and name HN )) ( segid " " and resid 209 and name HG1%) 3.700 1.700 1.700 peak 979 spectrum 1 weight 0.11000E+01 volume 0.13272E-02 ppm1 9.240 ppm2 0.959 CV 1 ASSI { 980} (( segid " " and resid 213 and name HN )) ( segid " " and resid 209 and name HG2%) 5.500 3.700 0.500 peak 980 spectrum 1 weight 0.11000E+01 volume 0.23262E-03 ppm1 9.242 ppm2 1.205 CV 1 ASSI { 981} (( segid " " and resid 213 and name HN )) (( segid " " and resid 210 and name HA )) 2.800 1.000 1.000 peak 981 spectrum 1 weight 0.11000E+01 volume 0.28578E-02 ppm1 9.241 ppm2 3.553 CV 1 ASSI { 983} (( segid " " and resid 213 and name HN )) (( segid " " and resid 210 and name HN )) 4.300 2.300 1.700 peak 983 spectrum 1 weight 0.11000E+01 volume 0.33500E-03 ppm1 9.243 ppm2 8.149 CV 1 ASSI { 984} (( segid " " and resid 213 and name HN )) (( segid " " and resid 211 and name HG1 )) 5.300 3.500 0.700 peak 984 spectrum 1 weight 0.11000E+01 volume 0.26720E-03 ppm1 9.237 ppm2 2.482 CV 1 ASSI { 985} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HA )) 3.800 1.800 1.800 peak 985 spectrum 1 weight 0.11000E+01 volume 0.48550E-03 ppm1 9.244 ppm2 4.119 CV 1 ASSI { 986} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HG1 )) 3.300 1.400 1.400 peak 986 spectrum 1 weight 0.11000E+01 volume 0.71744E-03 ppm1 9.240 ppm2 2.757 CV 1 ASSI { 987} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HG2 )) 5.700 4.000 0.300 peak 987 spectrum 1 weight 0.11000E+01 volume 0.14930E-03 ppm1 9.243 ppm2 2.473 CV 1 ASSI { 989} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HA )) 3.100 1.200 1.200 peak 989 spectrum 1 weight 0.11000E+01 volume 0.15086E-02 ppm1 9.242 ppm2 4.363 CV 1 ASSI { 990} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HB1 )) 2.800 1.000 1.000 peak 990 spectrum 1 weight 0.11000E+01 volume 0.28283E-02 ppm1 9.244 ppm2 3.552 CV 1 ASSI { 991} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HB2 )) 2.900 1.100 1.100 peak 991 spectrum 1 weight 0.11000E+01 volume 0.13189E-02 ppm1 9.242 ppm2 2.842 CV 1 ASSI { 992} (( segid " " and resid 213 and name HN )) (( segid " " and resid 214 and name HN )) 3.000 1.100 1.100 peak 992 spectrum 1 weight 0.11000E+01 volume 0.14972E-02 ppm1 9.241 ppm2 8.359 CV 1 ASSI { 993} (( segid " " and resid 213 and name HN )) (( segid " " and resid 215 and name HN )) 5.500 3.800 0.500 peak 993 spectrum 1 weight 0.11000E+01 volume 0.92088E-04 ppm1 9.254 ppm2 8.098 CV 1 ASSI { 994} (( segid " " and resid 214 and name HN )) ( segid " " and resid 175 and name HG1%) 3.200 1.300 1.300 peak 994 spectrum 1 weight 0.11000E+01 volume 0.16048E-02 ppm1 8.383 ppm2 1.044 CV 1 ASSI { 995} (( segid " " and resid 214 and name HN )) (( segid " " and resid 211 and name HA )) 3.400 1.400 1.400 peak 995 spectrum 1 weight 0.11000E+01 volume 0.93215E-03 ppm1 8.385 ppm2 3.961 CV 1 ASSI { 996} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HB2 )) 5.200 5.200 0.800 peak 996 spectrum 1 weight 0.11000E+01 volume 0.24142E-03 ppm1 8.383 ppm2 2.846 CV 1 ASSI { 998} (( segid " " and resid 214 and name HN )) (( segid " " and resid 215 and name HB )) 4.900 4.900 1.100 peak 998 spectrum 1 weight 0.11000E+01 volume 0.45016E-03 ppm1 8.382 ppm2 4.304 CV 1 ASSI { 999} (( segid " " and resid 214 and name HN )) (( segid " " and resid 217 and name HB2 )) 4.100 4.100 1.900 peak 999 spectrum 1 weight 0.11000E+01 volume 0.11103E-02 ppm1 8.388 ppm2 2.123 CV 1 ASSI { 1000} (( segid " " and resid 215 and name HN )) (( segid " " and resid 212 and name HA )) 4.300 4.300 1.700 peak 1000 spectrum 1 weight 0.11000E+01 volume 0.30931E-03 ppm1 8.103 ppm2 4.078 CV 1 ASSI { 1001} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HA )) 3.000 1.100 1.100 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.20371E-02 ppm1 8.083 ppm2 3.892 CV 1 ASSI { 1002} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HB )) 2.800 1.000 1.000 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.25016E-02 ppm1 8.083 ppm2 4.306 CV 1 ASSI { 1003} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HG1 )) 3.300 1.400 1.400 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.11226E-02 ppm1 8.087 ppm2 1.220 CV 1 OR { 1003} (( segid " " and resid 215 and name HN )) ( segid " " and resid 215 and name HG2%) ASSI { 1004} (( segid " " and resid 215 and name HN )) (( segid " " and resid 216 and name HN )) 2.800 1.000 1.000 peak 1004 spectrum 1 weight 0.11000E+01 volume 0.23275E-02 ppm1 8.084 ppm2 8.762 CV 1 ASSI { 1005} (( segid " " and resid 215 and name HN )) (( segid " " and resid 218 and name HG2 )) 4.000 2.000 2.000 peak 1005 spectrum 1 weight 0.11000E+01 volume 0.92070E-03 ppm1 8.108 ppm2 2.478 CV 1 ASSI { 1006} (( segid " " and resid 215 and name HN )) (( segid " " and resid 218 and name HN )) 3.600 1.700 1.700 peak 1006 spectrum 1 weight 0.11000E+01 volume 0.13107E-02 ppm1 8.089 ppm2 8.321 CV 1 ASSI { 1007} (( segid " " and resid 216 and name HN )) ( segid " " and resid 160 and name HG2%) 4.900 3.000 1.100 peak 1007 spectrum 1 weight 0.11000E+01 volume 0.33733E-03 ppm1 8.751 ppm2 0.766 CV 1 ASSI { 1008} (( segid " " and resid 216 and name HN )) (( segid " " and resid 212 and name HB2 )) 3.300 3.300 2.700 peak 1008 spectrum 1 weight 0.11000E+01 volume 0.20070E-02 ppm1 8.754 ppm2 2.311 CV 1 ASSI { 1009} (( segid " " and resid 216 and name HN )) (( segid " " and resid 214 and name HN )) 4.100 2.100 1.900 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.51515E-03 ppm1 8.762 ppm2 8.350 CV 1 ASSI { 1010} (( segid " " and resid 216 and name HN )) (( segid " " and resid 215 and name HA )) 4.000 2.000 2.000 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.48593E-03 ppm1 8.755 ppm2 3.881 CV 1 ASSI { 1011} (( segid " " and resid 216 and name HN )) (( segid " " and resid 215 and name HB )) 2.700 0.900 0.900 peak 1011 spectrum 1 weight 0.11000E+01 volume 0.21655E-02 ppm1 8.752 ppm2 4.310 CV 1 ASSI { 1012} (( segid " " and resid 216 and name HN )) ( segid " " and resid 215 and name HG2%) 4.300 2.300 1.700 peak 1012 spectrum 1 weight 0.11000E+01 volume 0.86211E-03 ppm1 8.752 ppm2 1.237 CV 1 OR { 1012} (( segid " " and resid 216 and name HN )) (( segid " " and resid 215 and name HG1 )) ASSI { 1014} (( segid " " and resid 216 and name HN )) (( segid " " and resid 216 and name HA )) 2.900 1.100 1.100 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.17704E-02 ppm1 8.753 ppm2 3.687 CV 1 ASSI { 1015} (( segid " " and resid 216 and name HN )) (( segid " " and resid 216 and name HG1 )) 5.200 3.400 0.800 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.41814E-03 ppm1 8.756 ppm2 1.637 CV 1 ASSI { 1016} (( segid " " and resid 216 and name HN )) (( segid " " and resid 219 and name HB1 )) 3.900 1.900 1.900 peak 1016 spectrum 1 weight 0.11000E+01 volume 0.18599E-02 ppm1 8.752 ppm2 2.097 CV 1 ASSI { 1017} (( segid " " and resid 216 and name HN )) (( segid " " and resid 220 and name HN )) 3.900 1.900 1.900 peak 1017 spectrum 1 weight 0.11000E+01 volume 0.12477E-02 ppm1 8.749 ppm2 8.501 CV 1 ASSI { 1018} (( segid " " and resid 217 and name HN )) ( segid " " and resid 175 and name HG1%) 5.400 3.700 0.600 peak 1018 spectrum 1 weight 0.11000E+01 volume 0.18243E-03 ppm1 8.502 ppm2 1.042 CV 1 ASSI { 1019} (( segid " " and resid 217 and name HN )) (( segid " " and resid 213 and name HA )) 4.600 2.700 1.400 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.20072E-03 ppm1 8.511 ppm2 4.337 CV 1 ASSI { 1020} (( segid " " and resid 217 and name HN )) (( segid " " and resid 214 and name HA )) 3.700 1.700 1.700 peak 1020 spectrum 1 weight 0.11000E+01 volume 0.61258E-03 ppm1 8.498 ppm2 3.441 CV 1 ASSI { 1021} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HA )) 3.700 1.700 1.700 peak 1021 spectrum 1 weight 0.11000E+01 volume 0.55224E-03 ppm1 8.501 ppm2 3.705 CV 1 ASSI { 1022} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HB1 )) 3.600 1.600 1.600 peak 1022 spectrum 1 weight 0.11000E+01 volume 0.65937E-03 ppm1 8.499 ppm2 2.315 CV 1 ASSI { 1023} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HN )) 3.000 1.100 1.100 peak 1023 spectrum 1 weight 0.11000E+01 volume 0.15485E-02 ppm1 8.501 ppm2 8.766 CV 1 ASSI { 1024} (( segid " " and resid 217 and name HN )) (( segid " " and resid 217 and name HA )) 2.800 1.000 1.000 peak 1024 spectrum 1 weight 0.11000E+01 volume 0.35615E-02 ppm1 8.499 ppm2 2.948 CV 1 ASSI { 1025} (( segid " " and resid 217 and name HN )) (( segid " " and resid 217 and name HB2 )) 3.300 1.400 1.400 peak 1025 spectrum 1 weight 0.11000E+01 volume 0.15122E-02 ppm1 8.497 ppm2 2.109 CV 1 ASSI { 1026} (( segid " " and resid 217 and name HN )) ( segid " " and resid 217 and name HD% ) 4.500 2.500 1.500 peak 1026 spectrum 1 weight 0.11000E+01 volume 0.85316E-03 ppm1 8.501 ppm2 6.179 CV 1 ASSI { 1027} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HB2 )) 4.600 2.600 1.400 peak 1027 spectrum 1 weight 0.11000E+01 volume 0.15122E-02 ppm1 8.498 ppm2 2.084 CV 1 ASSI { 1028} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HG1 )) 3.900 1.900 1.900 peak 1028 spectrum 1 weight 0.11000E+01 volume 0.22650E-02 ppm1 8.500 ppm2 2.696 CV 1 ASSI { 1029} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HN )) 3.000 1.100 1.100 peak 1029 spectrum 1 weight 0.11000E+01 volume 0.15912E-02 ppm1 8.515 ppm2 8.321 CV 1 ASSI { 1030} (( segid " " and resid 217 and name HN )) (( segid " " and resid 220 and name HB1 )) 5.600 4.000 0.400 peak 1030 spectrum 1 weight 0.11000E+01 volume 0.24484E-03 ppm1 8.497 ppm2 2.163 CV 1 ASSI { 1031} (( segid " " and resid 218 and name HN )) (( segid " " and resid 214 and name HA )) 4.800 2.900 1.200 peak 1031 spectrum 1 weight 0.11000E+01 volume 0.30253E-03 ppm1 8.348 ppm2 3.453 CV 1 ASSI { 1032} (( segid " " and resid 218 and name HN )) (( segid " " and resid 216 and name HB1 )) 3.500 3.500 2.500 peak 1032 spectrum 1 weight 0.11000E+01 volume 0.22273E-02 ppm1 8.359 ppm2 2.327 CV 1 ASSI { 1033} (( segid " " and resid 218 and name HN )) (( segid " " and resid 217 and name HA )) 3.400 1.400 1.400 peak 1033 spectrum 1 weight 0.11000E+01 volume 0.14199E-02 ppm1 8.359 ppm2 2.937 CV 1 ASSI { 1035} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HA )) 2.900 1.100 1.100 peak 1035 spectrum 1 weight 0.11000E+01 volume 0.21844E-02 ppm1 8.356 ppm2 3.744 CV 1 ASSI { 1036} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HG1 )) 3.300 1.300 1.300 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.28687E-02 ppm1 8.359 ppm2 2.721 CV 1 ASSI { 1037} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HG2 )) 3.000 1.100 1.100 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.10024E-02 ppm1 8.359 ppm2 2.451 CV 1 ASSI { 1038} (( segid " " and resid 218 and name HN )) (( segid " " and resid 219 and name HB1 )) 3.600 1.600 1.600 peak 1038 spectrum 1 weight 0.11000E+01 volume 0.28233E-02 ppm1 8.357 ppm2 2.087 CV 1 ASSI { 1039} (( segid " " and resid 219 and name HN )) (( segid " " and resid 215 and name HN )) 2.100 2.100 3.900 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.16848E-02 ppm1 8.252 ppm2 8.090 CV 1 ASSI { 1040} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HA )) 3.400 1.400 1.400 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.12869E-02 ppm1 8.251 ppm2 3.722 CV 1 ASSI { 1041} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HA )) 2.800 1.000 1.000 peak 1041 spectrum 1 weight 0.11000E+01 volume 0.28220E-02 ppm1 8.252 ppm2 4.013 CV 1 ASSI { 1042} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HB1 )) 2.200 0.600 0.600 peak 1042 spectrum 1 weight 0.11000E+01 volume 0.73969E-02 ppm1 8.250 ppm2 2.106 CV 1 ASSI { 1043} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HG1 )) 3.800 1.800 1.800 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.24835E-02 ppm1 8.250 ppm2 2.377 CV 1 ASSI { 1044} (( segid " " and resid 219 and name HN )) (( segid " " and resid 220 and name HB1 )) 4.200 2.300 1.800 peak 1044 spectrum 1 weight 0.11000E+01 volume 0.20109E-02 ppm1 8.245 ppm2 2.172 CV 1 ASSI { 1045} (( segid " " and resid 219 and name HN )) (( segid " " and resid 220 and name HN )) 2.700 0.900 0.900 peak 1045 spectrum 1 weight 0.11000E+01 volume 0.23804E-02 ppm1 8.252 ppm2 8.508 CV 1 ASSI { 1046} (( segid " " and resid 219 and name HN )) (( segid " " and resid 222 and name HG2 )) 3.700 1.700 1.700 peak 1046 spectrum 1 weight 0.11000E+01 volume 0.20390E-02 ppm1 8.251 ppm2 2.424 CV 1 ASSI { 1048} (( segid " " and resid 220 and name HN )) (( segid " " and resid 216 and name HA )) 4.500 2.500 1.500 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.29513E-03 ppm1 8.492 ppm2 3.703 CV 1 ASSI { 1049} (( segid " " and resid 220 and name HN )) (( segid " " and resid 216 and name HB1 )) 3.800 1.800 1.800 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.91892E-03 ppm1 8.503 ppm2 2.334 CV 1 ASSI { 1050} (( segid " " and resid 220 and name HN )) (( segid " " and resid 218 and name HN )) 3.900 1.900 1.900 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.77446E-03 ppm1 8.497 ppm2 8.348 CV 1 ASSI { 1051} (( segid " " and resid 220 and name HN )) (( segid " " and resid 219 and name HA )) 3.200 1.300 1.300 peak 1051 spectrum 1 weight 0.11000E+01 volume 0.16879E-02 ppm1 8.508 ppm2 4.028 CV 1 ASSI { 1052} (( segid " " and resid 220 and name HN )) (( segid " " and resid 219 and name HB1 )) 2.300 0.700 0.700 peak 1052 spectrum 1 weight 0.11000E+01 volume 0.56430E-02 ppm1 8.500 ppm2 2.123 CV 1 ASSI { 1054} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HA )) 2.900 1.000 1.000 peak 1054 spectrum 1 weight 0.11000E+01 volume 0.23818E-02 ppm1 8.500 ppm2 4.071 CV 1 ASSI { 1055} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HG1 )) 3.800 1.800 1.800 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.28884E-02 ppm1 8.491 ppm2 2.172 CV 1 ASSI { 1056} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HG2 )) 3.500 1.500 1.500 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.23502E-02 ppm1 8.502 ppm2 2.407 CV 1 ASSI { 1057} (( segid " " and resid 220 and name HN )) (( segid " " and resid 221 and name HN )) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.11000E+01 volume 0.45800E-02 ppm1 8.497 ppm2 8.438 CV 1 ASSI { 1058} (( segid " " and resid 220 and name HN )) (( segid " " and resid 222 and name HB1 )) 3.100 3.100 2.900 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.56430E-02 ppm1 8.497 ppm2 2.154 CV 1 ASSI { 1059} (( segid " " and resid 220 and name HN )) (( segid " " and resid 222 and name HG2 )) 3.300 3.300 2.700 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.23502E-02 ppm1 8.503 ppm2 2.424 CV 1 ASSI { 1060} (( segid " " and resid 220 and name HN )) (( segid " " and resid 222 and name HN )) 5.800 4.300 0.200 peak 1060 spectrum 1 weight 0.11000E+01 volume 0.75105E-04 ppm1 8.488 ppm2 7.827 CV 1 ASSI { 1062} (( segid " " and resid 221 and name HN )) ( segid " " and resid 165 and name HG1%) 4.000 2.000 2.000 peak 1062 spectrum 1 weight 0.11000E+01 volume 0.64737E-03 ppm1 8.453 ppm2 0.846 CV 1 ASSI { 1063} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HA )) 2.700 0.900 0.900 peak 1063 spectrum 1 weight 0.11000E+01 volume 0.27937E-02 ppm1 8.449 ppm2 3.967 CV 1 ASSI { 1064} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HB1 )) 3.200 1.300 1.300 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.21224E-02 ppm1 8.452 ppm2 3.573 CV 1 ASSI { 1065} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HB2 )) 2.900 1.000 1.000 peak 1065 spectrum 1 weight 0.11000E+01 volume 0.18363E-02 ppm1 8.451 ppm2 3.378 CV 1 ASSI { 1066} (( segid " " and resid 221 and name HN )) (( segid " " and resid 222 and name HB1 )) 3.800 1.800 1.800 peak 1066 spectrum 1 weight 0.11000E+01 volume 0.20376E-02 ppm1 8.449 ppm2 2.136 CV 1 ASSI { 1068} (( segid " " and resid 221 and name HN )) (( segid " " and resid 223 and name HN )) 3.700 1.700 1.700 peak 1068 spectrum 1 weight 0.11000E+01 volume 0.10273E-02 ppm1 8.461 ppm2 7.826 CV 1 ASSI { 1069} (( segid " " and resid 222 and name HN )) (( segid " " and resid 219 and name HG2 )) 3.500 1.600 1.600 peak 1069 spectrum 1 weight 0.11000E+01 volume 0.22470E-02 ppm1 7.829 ppm2 2.459 CV 1 ASSI { 1070} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HA )) 3.400 1.400 1.400 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.10910E-02 ppm1 7.825 ppm2 3.955 CV 1 ASSI { 1071} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HB1 )) 3.200 1.300 1.300 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.11524E-02 ppm1 7.823 ppm2 3.566 CV 1 ASSI { 1072} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HB2 )) 4.000 2.000 2.000 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.76676E-03 ppm1 7.820 ppm2 3.369 CV 1 ASSI { 1073} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HN )) 2.700 0.900 0.900 peak 1073 spectrum 1 weight 0.11000E+01 volume 0.28165E-02 ppm1 7.827 ppm2 8.464 CV 1 ASSI { 1074} (( segid " " and resid 223 and name HN )) (( segid " " and resid 219 and name HA )) 3.300 1.400 1.400 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.19392E-02 ppm1 7.824 ppm2 3.983 CV 1 ASSI { 1075} (( segid " " and resid 223 and name HN )) (( segid " " and resid 222 and name HA )) 2.400 2.400 3.600 peak 1075 spectrum 1 weight 0.11000E+01 volume 0.86473E-02 ppm1 7.839 ppm2 4.178 CV 1 ASSI { 1076} (( segid " " and resid 223 and name HN )) (( segid " " and resid 222 and name HB1 )) 2.700 2.700 3.300 peak 1076 spectrum 1 weight 0.11000E+01 volume 0.10820E-01 ppm1 7.833 ppm2 2.148 CV 1 ASSI { 1077} (( segid " " and resid 223 and name HN )) ( segid " " and resid 223 and name HB% ) 2.200 0.600 0.600 peak 1077 spectrum 1 weight 0.11000E+01 volume 0.12104E-01 ppm1 7.846 ppm2 1.499 CV 1 ASSI { 1078} (( segid " " and resid 223 and name HN )) (( segid " " and resid 224 and name HA )) 4.300 2.300 1.700 peak 1078 spectrum 1 weight 0.11000E+01 volume 0.10690E-02 ppm1 7.837 ppm2 4.081 CV 1 ASSI { 1080} (( segid " " and resid 223 and name HN )) (( segid " " and resid 225 and name HN )) 3.000 1.100 1.100 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.40326E-02 ppm1 7.831 ppm2 7.970 CV 1 ASSI { 1081} (( segid " " and resid 223 and name HN )) (( segid " " and resid 226 and name HN )) 4.800 2.900 1.200 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.29599E-03 ppm1 7.831 ppm2 8.114 CV 1 ASSI { 1082} (( segid " " and resid 224 and name HN )) (( segid " " and resid 222 and name HB1 )) 4.800 2.900 1.200 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.57240E-03 ppm1 8.000 ppm2 2.148 CV 1 ASSI { 1083} (( segid " " and resid 224 and name HN )) (( segid " " and resid 223 and name HA )) 3.200 1.300 1.300 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.20729E-02 ppm1 8.005 ppm2 4.189 CV 1 ASSI { 1084} (( segid " " and resid 224 and name HN )) (( segid " " and resid 223 and name HN )) 2.300 0.700 0.700 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.76333E-02 ppm1 8.008 ppm2 7.864 CV 1 ASSI { 1085} (( segid " " and resid 224 and name HN )) (( segid " " and resid 224 and name HA )) 2.500 0.800 0.800 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.56229E-02 ppm1 8.003 ppm2 4.059 CV 1 ASSI { 1086} (( segid " " and resid 224 and name HN )) ( segid " " and resid 224 and name HB% ) 2.200 0.600 0.600 peak 1086 spectrum 1 weight 0.11000E+01 volume 0.14875E-01 ppm1 8.001 ppm2 1.474 CV 1 ASSI { 1087} (( segid " " and resid 224 and name HN )) (( segid " " and resid 227 and name HN )) 2.700 2.700 3.300 peak 1087 spectrum 1 weight 0.11000E+01 volume 0.10444E-01 ppm1 8.005 ppm2 8.078 CV 1 ASSI { 1088} (( segid " " and resid 225 and name HN )) (( segid " " and resid 225 and name HA )) 2.800 1.000 1.000 peak 1088 spectrum 1 weight 0.11000E+01 volume 0.31288E-02 ppm1 7.969 ppm2 4.305 CV 1 ASSI { 1089} (( segid " " and resid 225 and name HN )) (( segid " " and resid 225 and name HB1 )) 2.800 1.000 1.000 peak 1089 spectrum 1 weight 0.11000E+01 volume 0.93523E-02 ppm1 7.969 ppm2 3.187 CV 1 ASSI { 1090} (( segid " " and resid 226 and name HN )) (( segid " " and resid 223 and name HA )) 3.000 1.100 1.100 peak 1090 spectrum 1 weight 0.11000E+01 volume 0.21121E-02 ppm1 8.110 ppm2 4.204 CV 1 ASSI { 1091} (( segid " " and resid 226 and name HN )) (( segid " " and resid 225 and name HA )) 2.800 1.000 1.000 peak 1091 spectrum 1 weight 0.11000E+01 volume 0.42747E-02 ppm1 8.091 ppm2 4.302 CV 1 ASSI { 1092} (( segid " " and resid 226 and name HN )) (( segid " " and resid 225 and name HB2 )) 3.000 1.200 1.200 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.36816E-02 ppm1 8.111 ppm2 3.185 CV 1 ASSI { 1093} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HA )) 2.600 0.900 0.900 peak 1093 spectrum 1 weight 0.11000E+01 volume 0.50659E-02 ppm1 8.103 ppm2 3.903 CV 1 ASSI { 1094} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HB2 )) 2.400 0.700 0.700 peak 1094 spectrum 1 weight 0.11000E+01 volume 0.88537E-02 ppm1 8.116 ppm2 2.187 CV 1 OR { 1094} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HB1 )) ASSI { 1095} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HG2 )) 2.900 1.100 1.100 peak 1095 spectrum 1 weight 0.11000E+01 volume 0.35199E-02 ppm1 8.110 ppm2 2.506 CV 1 ASSI { 1100} (( segid " " and resid 227 and name HE )) (( segid " " and resid 227 and name HD2 )) 3.200 3.200 2.800 peak 1100 spectrum 1 weight 0.11000E+01 volume 0.14721E-02 ppm1 7.318 ppm2 3.137 CV 1 ASSI { 1101} (( segid " " and resid 227 and name HE )) (( segid " " and resid 227 and name HG2 )) 3.400 3.400 2.600 peak 1101 spectrum 1 weight 0.11000E+01 volume 0.87261E-03 ppm1 7.319 ppm2 1.807 CV 1 ASSI { 1102} (( segid " " and resid 227 and name HN )) (( segid " " and resid 223 and name HN )) 4.900 3.000 1.100 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.37003E-03 ppm1 8.071 ppm2 7.853 CV 1 ASSI { 1103} (( segid " " and resid 227 and name HN )) (( segid " " and resid 224 and name HA )) 2.600 0.900 0.900 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.69070E-02 ppm1 8.068 ppm2 4.084 CV 1 ASSI { 1104} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HA )) 3.900 1.900 1.900 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.64327E-03 ppm1 8.067 ppm2 3.903 CV 1 ASSI { 1105} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HB2 )) 2.700 0.900 0.900 peak 1105 spectrum 1 weight 0.11000E+01 volume 0.33017E-02 ppm1 8.066 ppm2 2.179 CV 1 OR { 1105} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HB1 )) ASSI { 1106} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HG2 )) 4.400 2.400 1.600 peak 1106 spectrum 1 weight 0.11000E+01 volume 0.87813E-03 ppm1 8.072 ppm2 2.526 CV 1 ASSI { 1107} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HB1 )) 2.400 0.700 0.700 peak 1107 spectrum 1 weight 0.11000E+01 volume 0.80522E-02 ppm1 8.071 ppm2 1.963 CV 1 ASSI { 1108} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HB2 )) 3.100 1.200 1.200 peak 1108 spectrum 1 weight 0.11000E+01 volume 0.58635E-02 ppm1 8.068 ppm2 1.848 CV 1 ASSI { 1109} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HD1 )) 6.000 6.000 0.000 peak 1109 spectrum 1 weight 0.11000E+01 volume 0.58072E-04 ppm1 8.103 ppm2 3.304 CV 1 ASSI { 1110} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HG1 )) 2.900 1.000 1.000 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.40939E-02 ppm1 8.072 ppm2 1.605 CV 1 ASSI { 1111} (( segid " " and resid 227 and name HN )) ( segid " " and resid 228 and name HB% ) 4.500 2.500 1.500 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.10461E-02 ppm1 8.062 ppm2 1.451 CV 1 ASSI { 1112} (( segid " " and resid 228 and name HN )) (( segid " " and resid 225 and name HA )) 3.600 1.600 1.600 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.84172E-03 ppm1 7.730 ppm2 4.322 CV 1 ASSI { 1113} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HA )) 2.700 0.900 0.900 peak 1113 spectrum 1 weight 0.11000E+01 volume 0.72770E-02 ppm1 7.732 ppm2 4.127 CV 1 ASSI { 1114} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HB1 )) 3.800 1.800 1.800 peak 1114 spectrum 1 weight 0.11000E+01 volume 0.23723E-02 ppm1 7.731 ppm2 1.954 CV 1 ASSI { 1115} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HB2 )) 3.400 1.400 1.400 peak 1115 spectrum 1 weight 0.11000E+01 volume 0.25116E-02 ppm1 7.732 ppm2 1.837 CV 1 ASSI { 1116} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HG1 )) 2.500 0.800 0.800 peak 1116 spectrum 1 weight 0.11000E+01 volume 0.94264E-03 ppm1 7.731 ppm2 1.614 CV 1 ASSI { 1117} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HN )) 2.300 0.700 0.700 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.55405E-02 ppm1 7.731 ppm2 8.073 CV 1 ASSI { 1118} (( segid " " and resid 228 and name HN )) ( segid " " and resid 228 and name HB% ) 2.100 0.500 0.500 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.14085E-01 ppm1 7.732 ppm2 1.441 CV 1 ASSI { 3} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 206 and name HB2 )) 3.500 1.500 1.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.38229E-02 ppm1 0.938 ppm2 1.946 CV 1 ASSI { 4} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 184 and name HB2 )) 3.600 3.600 2.400 peak 4 spectrum 1 weight 0.11000E+01 volume 0.13066E-02 ppm1 0.634 ppm2 1.964 CV 1 ASSI { 7} (( segid " " and resid 155 and name HA )) (( segid " " and resid 193 and name HG1 )) 3.000 3.000 3.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.57373E-02 ppm1 4.021 ppm2 1.481 CV 1 ASSI { 9} (( segid " " and resid 227 and name HD2 )) (( segid " " and resid 164 and name HG2 )) 3.700 3.700 2.300 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10830E-02 ppm1 3.154 ppm2 2.076 CV 1 OR { 9} (( segid " " and resid 227 and name HD2 )) (( segid " " and resid 164 and name HG1 )) ASSI { 11} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 155 and name HA )) 3.800 3.800 2.200 peak 11 spectrum 1 weight 0.11000E+01 volume 0.16667E-02 ppm1 1.619 ppm2 4.053 CV 1 ASSI { 20} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 216 and name HG1 )) 2.800 2.800 3.200 peak 20 spectrum 1 weight 0.10000E+01 volume 0.56485E-02 ppm1 0.885 ppm2 1.622 CV 1 ASSI { 21} ( segid " " and resid 208 and name HG1%) ( segid " " and resid 160 and name HG2%) 3.600 3.600 2.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.31518E-02 ppm1 1.116 ppm2 0.755 CV 1 ASSI { 24} (( segid " " and resid 209 and name HA )) ( segid " " and resid 133 and name HE% ) 3.200 1.300 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.15857E-02 ppm1 3.654 ppm2 1.890 CV 1 ASSI { 25} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HG2 )) 3.700 1.700 1.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.21138E-02 ppm1 4.177 ppm2 1.815 CV 1 ASSI { 26} (( segid " " and resid 207 and name HA )) ( segid " " and resid 138 and name HD1%) 4.300 2.300 1.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.71999E-03 ppm1 4.169 ppm2 0.436 CV 1 ASSI { 28} (( segid " " and resid 195 and name HG1 )) (( segid " " and resid 155 and name HA )) 4.600 2.600 1.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.62338E-03 ppm1 2.066 ppm2 4.050 CV 1 ASSI { 31} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 151 and name HA )) 5.000 3.200 1.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.35516E-03 ppm1 1.284 ppm2 4.116 CV 1 ASSI { 33} (( segid " " and resid 132 and name HA )) (( segid " " and resid 129 and name HG )) 5.200 3.300 0.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.67156E-03 ppm1 4.376 ppm2 1.419 CV 1 ASSI { 37} (( segid " " and resid 207 and name HD1 )) (( segid " " and resid 138 and name HG12)) 4.900 3.000 1.100 peak 37 spectrum 1 weight 0.10000E+01 volume 0.57421E-03 ppm1 3.291 ppm2 0.903 CV 1 ASSI { 42} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 155 and name HD2 )) 3.900 3.900 2.100 peak 42 spectrum 1 weight 0.11000E+01 volume 0.13453E-02 ppm1 2.918 ppm2 3.193 CV 1 OR { 42} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 155 and name HD2 )) ASSI { 52} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 186 and name HB1 )) 2.400 2.400 3.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.61652E-03 ppm1 1.223 ppm2 3.134 CV 1 ASSI { 60} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HG1 )) 2.800 1.000 1.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.82813E-03 ppm1 4.589 ppm2 1.265 CV 1 ASSI { 79} ( segid " " and resid 188 and name HG2%) ( segid " " and resid 190 and name HG2%) 3.500 3.500 2.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.47159E-02 ppm1 0.748 ppm2 0.907 CV 1 ASSI { 83} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 140 and name HD% ) 3.100 1.200 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.12924E-02 ppm1 2.856 ppm2 7.382 CV 1 ASSI { 87} (( segid " " and resid 164 and name HD2 )) ( segid " " and resid 165 and name HG1%) 5.000 3.100 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.35486E-03 ppm1 3.655 ppm2 0.872 CV 1 ASSI { 90} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 207 and name HE )) 4.000 2.000 2.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.10655E-02 ppm1 1.033 ppm2 7.324 CV 1 ASSI { 92} (( segid " " and resid 204 and name HG12)) ( segid " " and resid 149 and name HD% ) 5.200 3.300 0.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.49247E-03 ppm1 0.820 ppm2 6.937 CV 1 ASSI { 101} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 149 and name HH )) 4.700 2.800 1.300 peak 101 spectrum 1 weight 0.10000E+01 volume 0.34123E-03 ppm1 1.713 ppm2 6.908 CV 1 ASSI { 107} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HG1 )) 2.600 0.800 0.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16619E-02 ppm1 1.926 ppm2 1.270 CV 1 ASSI { 110} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 138 and name HA )) 3.700 1.800 1.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.16997E-02 ppm1 3.636 ppm2 3.970 CV 1 ASSI { 111} (( segid " " and resid 157 and name HG2 )) ( segid " " and resid 129 and name HD1%) 6.000 6.000 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.36500E-04 ppm1 2.044 ppm2 0.602 CV 1 ASSI { 122} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 124 and name HD2%) 4.700 2.800 1.300 peak 122 spectrum 1 weight 0.10000E+01 volume 0.45644E-03 ppm1 2.894 ppm2 0.535 CV 1 ASSI { 128} (( segid " " and resid 212 and name HG2 )) (( segid " " and resid 136 and name HD2 )) 5.700 4.100 0.300 peak 128 spectrum 1 weight 0.10000E+01 volume 0.27612E-03 ppm1 2.479 ppm2 3.607 CV 1 ASSI { 132} (( segid " " and resid 168 and name HA )) (( segid " " and resid 165 and name HA )) 5.000 3.100 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.58827E-03 ppm1 4.931 ppm2 4.278 CV 1 ASSI { 134} (( segid " " and resid 218 and name HG1 )) (( segid " " and resid 215 and name HA )) 4.400 2.500 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.65446E-03 ppm1 2.711 ppm2 3.872 CV 1 ASSI { 141} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 152 and name HD22)) 2.700 0.900 0.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.14710E-02 ppm1 1.032 ppm2 6.588 CV 1 ASSI { 143} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 185 and name HG2 )) 5.500 3.800 0.500 peak 143 spectrum 1 weight 0.11000E+01 volume 0.41171E-03 ppm1 1.662 ppm2 2.501 CV 1 ASSI { 145} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 135 and name HA )) 3.700 1.700 1.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.14419E-02 ppm1 1.113 ppm2 4.395 CV 1 ASSI { 146} (( segid " " and resid 204 and name HA )) (( segid " " and resid 152 and name HD22)) 4.000 2.000 2.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.83790E-03 ppm1 3.627 ppm2 6.571 CV 1 ASSI { 148} (( segid " " and resid 222 and name HA )) ( segid " " and resid 225 and name HD% ) 4.000 2.000 2.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.68825E-03 ppm1 4.175 ppm2 7.133 CV 1 ASSI { 150} (( segid " " and resid 217 and name HA )) (( segid " " and resid 165 and name HN )) 4.300 2.300 1.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.73797E-03 ppm1 2.934 ppm2 8.578 CV 1 ASSI { 151} (( segid " " and resid 197 and name HB2 )) ( segid " " and resid 197 and name HD% ) 3.800 1.800 1.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.38865E-03 ppm1 2.942 ppm2 7.377 CV 1 ASSI { 153} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HG1 )) 3.300 1.400 1.400 peak 153 spectrum 1 weight 0.10000E+01 volume 0.38307E-02 ppm1 1.222 ppm2 1.482 CV 1 ASSI { 389} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB1 )) 2.500 0.800 0.800 peak 389 spectrum 1 weight 0.11000E+01 volume 0.50070E-02 ppm1 4.338 ppm2 1.557 CV 1 ASSI { 390} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB2 )) 2.800 1.000 1.000 peak 390 spectrum 1 weight 0.11000E+01 volume 0.34877E-02 ppm1 4.339 ppm2 1.608 CV 1 ASSI { 393} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HG )) 2.500 0.800 0.800 peak 393 spectrum 1 weight 0.11000E+01 volume 0.33639E-02 ppm1 4.331 ppm2 1.479 CV 1 ASSI { 394} (( segid " " and resid 124 and name HA )) (( segid " " and resid 126 and name HA2 )) 4.500 2.500 1.500 peak 394 spectrum 1 weight 0.11000E+01 volume 0.85170E-03 ppm1 4.346 ppm2 3.921 CV 1 ASSI { 395} (( segid " " and resid 124 and name HA )) ( segid " " and resid 127 and name HD% ) 2.700 2.700 3.300 peak 395 spectrum 1 weight 0.11000E+01 volume 0.16222E-02 ppm1 4.345 ppm2 6.847 CV 1 ASSI { 396} (( segid " " and resid 124 and name HA )) ( segid " " and resid 161 and name HD% ) 4.100 4.100 1.900 peak 396 spectrum 1 weight 0.11000E+01 volume 0.15201E-02 ppm1 4.328 ppm2 6.879 CV 1 ASSI { 398} (( segid " " and resid 124 and name HA )) ( segid " " and resid 181 and name HD1%) 5.500 3.700 0.500 peak 398 spectrum 1 weight 0.11000E+01 volume 0.22971E-03 ppm1 4.323 ppm2 0.422 CV 1 ASSI { 404} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 127 and name HB1 )) 5.800 5.800 0.200 peak 404 spectrum 1 weight 0.11000E+01 volume 0.19071E-03 ppm1 1.525 ppm2 2.863 CV 1 ASSI { 405} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 127 and name HB2 )) 4.000 4.000 2.000 peak 405 spectrum 1 weight 0.11000E+01 volume 0.39278E-03 ppm1 1.523 ppm2 2.933 CV 1 ASSI { 408} (( segid " " and resid 124 and name HB2 )) ( segid " " and resid 124 and name HD1%) 3.100 3.100 2.900 peak 408 spectrum 1 weight 0.11000E+01 volume 0.15063E-02 ppm1 1.569 ppm2 0.610 CV 1 ASSI { 409} (( segid " " and resid 124 and name HB2 )) ( segid " " and resid 124 and name HD2%) 3.300 1.300 1.300 peak 409 spectrum 1 weight 0.11000E+01 volume 0.16850E-02 ppm1 1.602 ppm2 0.559 CV 1 ASSI { 411} (( segid " " and resid 124 and name HB2 )) ( segid " " and resid 127 and name HD% ) 5.000 5.000 1.000 peak 411 spectrum 1 weight 0.11000E+01 volume 0.44722E-03 ppm1 1.617 ppm2 6.857 CV 1 ASSI { 413} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HA )) 2.900 1.100 1.100 peak 413 spectrum 1 weight 0.11000E+01 volume 0.24981E-02 ppm1 0.634 ppm2 4.341 CV 1 ASSI { 414} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB1 )) 3.100 1.200 1.200 peak 414 spectrum 1 weight 0.11000E+01 volume 0.64216E-02 ppm1 0.633 ppm2 1.541 CV 1 ASSI { 415} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 124 and name HD2%) 2.200 0.600 0.600 peak 415 spectrum 1 weight 0.11000E+01 volume 0.14813E-01 ppm1 0.632 ppm2 0.523 CV 1 ASSI { 416} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HG )) 2.700 0.900 0.900 peak 416 spectrum 1 weight 0.11000E+01 volume 0.28406E-02 ppm1 0.640 ppm2 1.462 CV 1 ASSI { 417} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 127 and name HD% ) 3.600 1.600 1.600 peak 417 spectrum 1 weight 0.11000E+01 volume 0.10440E-02 ppm1 0.632 ppm2 6.841 CV 1 ASSI { 419} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 181 and name HD1%) 3.700 3.700 2.300 peak 419 spectrum 1 weight 0.11000E+01 volume 0.21727E-02 ppm1 0.635 ppm2 0.378 CV 1 ASSI { 420} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 181 and name HG11)) 3.200 3.200 2.800 peak 420 spectrum 1 weight 0.11000E+01 volume 0.48305E-02 ppm1 0.633 ppm2 0.800 CV 1 ASSI { 421} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 181 and name HG2%) 2.900 1.000 1.000 peak 421 spectrum 1 weight 0.11000E+01 volume 0.25159E-02 ppm1 0.632 ppm2 0.252 CV 1 ASSI { 422} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 185 and name HA )) 4.500 2.500 1.500 peak 422 spectrum 1 weight 0.11000E+01 volume 0.44554E-03 ppm1 0.641 ppm2 4.031 CV 1 ASSI { 423} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 185 and name HB1 )) 3.800 1.800 1.800 peak 423 spectrum 1 weight 0.11000E+01 volume 0.10680E-02 ppm1 0.630 ppm2 2.157 CV 1 OR { 423} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 185 and name HB2 )) ASSI { 426} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name HA )) 3.200 1.200 1.200 peak 426 spectrum 1 weight 0.11000E+01 volume 0.55739E-02 ppm1 0.530 ppm2 4.341 CV 1 ASSI { 427} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name HB1 )) 2.600 0.800 0.800 peak 427 spectrum 1 weight 0.11000E+01 volume 0.58488E-02 ppm1 0.529 ppm2 1.536 CV 1 ASSI { 431} ( segid " " and resid 124 and name HD2%) ( segid " " and resid 127 and name HD% ) 4.200 2.200 1.800 peak 431 spectrum 1 weight 0.11000E+01 volume 0.12219E-02 ppm1 0.532 ppm2 6.837 CV 1 ASSI { 433} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 161 and name HH )) 3.100 1.200 1.200 peak 433 spectrum 1 weight 0.11000E+01 volume 0.38322E-02 ppm1 0.528 ppm2 8.590 CV 1 ASSI { 434} ( segid " " and resid 124 and name HD2%) ( segid " " and resid 181 and name HG2%) 3.100 1.200 1.200 peak 434 spectrum 1 weight 0.11000E+01 volume 0.38322E-02 ppm1 0.528 ppm2 0.252 CV 1 ASSI { 435} (( segid " " and resid 124 and name HG )) (( segid " " and resid 128 and name HN )) 4.300 2.300 1.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.12719E-02 ppm1 1.484 ppm2 9.098 CV 1 ASSI { 439} (( segid " " and resid 124 and name HG )) ( segid " " and resid 124 and name HD2%) 3.000 1.100 1.100 peak 439 spectrum 1 weight 0.11000E+01 volume 0.17531E-02 ppm1 1.474 ppm2 0.537 CV 1 ASSI { 441} (( segid " " and resid 125 and name HA1 )) (( segid " " and resid 124 and name HA )) 4.600 2.600 1.400 peak 441 spectrum 1 weight 0.11000E+01 volume 0.54655E-03 ppm1 3.859 ppm2 4.348 CV 1 ASSI { 442} (( segid " " and resid 125 and name HA1 )) (( segid " " and resid 126 and name HA2 )) 2.500 2.500 3.500 peak 442 spectrum 1 weight 0.11000E+01 volume 0.13057E-01 ppm1 3.859 ppm2 3.933 CV 1 ASSI { 443} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 124 and name HA )) 4.400 2.400 1.600 peak 443 spectrum 1 weight 0.11000E+01 volume 0.91975E-03 ppm1 3.792 ppm2 4.359 CV 1 ASSI { 444} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 127 and name HA )) 3.600 1.600 1.600 peak 444 spectrum 1 weight 0.11000E+01 volume 0.16948E-02 ppm1 3.935 ppm2 4.436 CV 1 ASSI { 445} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 128 and name HA )) 3.400 3.400 2.600 peak 445 spectrum 1 weight 0.11000E+01 volume 0.14221E-02 ppm1 3.937 ppm2 4.510 CV 1 ASSI { 446} (( segid " " and resid 127 and name HA )) (( segid " " and resid 124 and name HB2 )) 5.300 3.500 0.700 peak 446 spectrum 1 weight 0.11000E+01 volume 0.59570E-03 ppm1 4.414 ppm2 1.615 CV 1 ASSI { 448} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB1 )) 2.900 1.000 1.000 peak 448 spectrum 1 weight 0.11000E+01 volume 0.13813E-02 ppm1 4.416 ppm2 2.836 CV 1 ASSI { 449} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB2 )) 3.100 1.200 1.200 peak 449 spectrum 1 weight 0.11000E+01 volume 0.19576E-02 ppm1 4.412 ppm2 2.929 CV 1 ASSI { 450} (( segid " " and resid 127 and name HA )) ( segid " " and resid 127 and name HD% ) 3.200 1.300 1.300 peak 450 spectrum 1 weight 0.11000E+01 volume 0.15433E-02 ppm1 4.423 ppm2 6.867 CV 1 ASSI { 451} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HH )) 4.600 4.600 1.400 peak 451 spectrum 1 weight 0.11000E+01 volume 0.47503E-03 ppm1 4.405 ppm2 8.591 CV 1 ASSI { 452} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HA )) 3.100 3.100 2.900 peak 452 spectrum 1 weight 0.11000E+01 volume 0.47154E-02 ppm1 4.409 ppm2 4.511 CV 1 ASSI { 453} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HB2 )) 5.400 5.400 0.600 peak 453 spectrum 1 weight 0.11000E+01 volume 0.73620E-03 ppm1 4.409 ppm2 0.962 CV 1 ASSI { 454} (( segid " " and resid 127 and name HA )) ( segid " " and resid 128 and name HE% ) 4.900 3.000 1.100 peak 454 spectrum 1 weight 0.11000E+01 volume 0.59636E-03 ppm1 4.407 ppm2 1.973 CV 1 ASSI { 455} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HG1 )) 4.900 3.000 1.100 peak 455 spectrum 1 weight 0.11000E+01 volume 0.55769E-03 ppm1 4.402 ppm2 2.236 CV 1 ASSI { 456} (( segid " " and resid 127 and name HA )) (( segid " " and resid 163 and name HA )) 3.800 1.800 1.800 peak 456 spectrum 1 weight 0.11000E+01 volume 0.15333E-02 ppm1 4.409 ppm2 4.643 CV 1 ASSI { 457} (( segid " " and resid 127 and name HA )) (( segid " " and resid 163 and name HN )) 4.300 2.300 1.700 peak 457 spectrum 1 weight 0.11000E+01 volume 0.27203E-03 ppm1 4.407 ppm2 7.962 CV 1 ASSI { 460} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 127 and name HD% ) 3.200 1.300 1.300 peak 460 spectrum 1 weight 0.11000E+01 volume 0.10407E-02 ppm1 2.892 ppm2 6.851 CV 1 ASSI { 461} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 161 and name HB1 )) 3.100 1.200 1.200 peak 461 spectrum 1 weight 0.11000E+01 volume 0.57951E-03 ppm1 2.863 ppm2 2.614 CV 1 ASSI { 462} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 161 and name HB2 )) 4.700 4.700 1.300 peak 462 spectrum 1 weight 0.11000E+01 volume 0.50090E-03 ppm1 2.863 ppm2 2.551 CV 1 ASSI { 464} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 163 and name HA )) 4.600 4.600 1.400 peak 464 spectrum 1 weight 0.11000E+01 volume 0.87838E-03 ppm1 2.869 ppm2 4.683 CV 1 ASSI { 465} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 124 and name HB2 )) 4.500 2.600 1.500 peak 465 spectrum 1 weight 0.11000E+01 volume 0.66735E-03 ppm1 2.928 ppm2 1.613 CV 1 ASSI { 467} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 127 and name HD% ) 3.000 1.200 1.200 peak 467 spectrum 1 weight 0.11000E+01 volume 0.13301E-02 ppm1 2.941 ppm2 6.880 CV 1 ASSI { 468} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 161 and name HA )) 5.200 3.400 0.800 peak 468 spectrum 1 weight 0.11000E+01 volume 0.32618E-03 ppm1 2.930 ppm2 5.611 CV 1 ASSI { 471} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 181 and name HG12)) 5.600 3.900 0.400 peak 471 spectrum 1 weight 0.11000E+01 volume 0.32728E-03 ppm1 2.958 ppm2 1.016 CV 1 ASSI { 472} (( segid " " and resid 128 and name HA )) (( segid " " and resid 127 and name HB2 )) 4.300 2.400 1.700 peak 472 spectrum 1 weight 0.11000E+01 volume 0.33827E-03 ppm1 4.492 ppm2 2.940 CV 1 ASSI { 474} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB1 )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.11000E+01 volume 0.33661E-02 ppm1 4.504 ppm2 1.599 CV 1 ASSI { 475} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB2 )) 2.700 0.900 0.900 peak 475 spectrum 1 weight 0.11000E+01 volume 0.26822E-02 ppm1 4.499 ppm2 1.039 CV 1 ASSI { 476} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HG1 )) 3.100 1.200 1.200 peak 476 spectrum 1 weight 0.11000E+01 volume 0.35030E-02 ppm1 4.499 ppm2 2.217 CV 1 ASSI { 477} (( segid " " and resid 128 and name HA )) ( segid " " and resid 129 and name HD1%) 5.400 3.600 0.600 peak 477 spectrum 1 weight 0.11000E+01 volume 0.43898E-03 ppm1 4.487 ppm2 0.604 CV 1 ASSI { 478} (( segid " " and resid 128 and name HA )) (( segid " " and resid 131 and name HN )) 4.600 4.600 1.400 peak 478 spectrum 1 weight 0.11000E+01 volume 0.42797E-03 ppm1 4.471 ppm2 8.356 CV 1 ASSI { 479} (( segid " " and resid 128 and name HA )) (( segid " " and resid 161 and name HA )) 4.300 4.300 1.700 peak 479 spectrum 1 weight 0.11000E+01 volume 0.99054E-03 ppm1 4.544 ppm2 5.593 CV 1 ASSI { 480} (( segid " " and resid 128 and name HA )) (( segid " " and resid 163 and name HA )) 4.700 2.800 1.300 peak 480 spectrum 1 weight 0.11000E+01 volume 0.62646E-03 ppm1 4.487 ppm2 4.643 CV 1 ASSI { 482} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HB2 )) 2.000 0.500 0.500 peak 482 spectrum 1 weight 0.11000E+01 volume 0.56641E-02 ppm1 1.583 ppm2 1.034 CV 1 ASSI { 488} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 216 and name HB1 )) 4.100 2.100 1.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.10218E-02 ppm1 1.972 ppm2 2.336 CV 1 ASSI { 490} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 128 and name HB1 )) 3.400 1.400 1.400 peak 490 spectrum 1 weight 0.11000E+01 volume 0.41603E-02 ppm1 1.971 ppm2 1.590 CV 1 ASSI { 491} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 128 and name HB2 )) 3.200 1.300 1.300 peak 491 spectrum 1 weight 0.11000E+01 volume 0.32523E-02 ppm1 1.972 ppm2 1.011 CV 1 ASSI { 493} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 128 and name HG2 )) 2.500 0.800 0.800 peak 493 spectrum 1 weight 0.11000E+01 volume 0.10896E-01 ppm1 1.971 ppm2 2.137 CV 1 ASSI { 494} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 129 and name HA )) 3.800 1.800 1.800 peak 494 spectrum 1 weight 0.11000E+01 volume 0.23295E-02 ppm1 1.971 ppm2 4.566 CV 1 ASSI { 495} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 129 and name HG )) 4.200 2.200 1.800 peak 495 spectrum 1 weight 0.11000E+01 volume 0.14096E-02 ppm1 1.970 ppm2 1.382 CV 1 ASSI { 496} ( segid " " and resid 128 and name HE% ) ( segid " " and resid 162 and name HD% ) 3.800 1.800 1.800 peak 496 spectrum 1 weight 0.11000E+01 volume 0.10511E-02 ppm1 1.974 ppm2 7.208 CV 1 ASSI { 497} ( segid " " and resid 128 and name HE% ) ( segid " " and resid 162 and name HE% ) 3.100 1.200 1.200 peak 497 spectrum 1 weight 0.11000E+01 volume 0.21953E-02 ppm1 1.971 ppm2 6.504 CV 1 ASSI { 498} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 163 and name HB1 )) 3.200 3.200 2.800 peak 498 spectrum 1 weight 0.11000E+01 volume 0.96297E-02 ppm1 1.971 ppm2 1.813 CV 1 ASSI { 499} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 163 and name HG1 )) 3.600 3.600 2.400 peak 499 spectrum 1 weight 0.11000E+01 volume 0.23150E-02 ppm1 1.971 ppm2 1.678 CV 1 ASSI { 500} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 164 and name HB2 )) 4.300 2.300 1.700 peak 500 spectrum 1 weight 0.11000E+01 volume 0.11318E-02 ppm1 1.971 ppm2 2.465 CV 1 ASSI { 501} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 164 and name HD1 )) 4.400 2.400 1.600 peak 501 spectrum 1 weight 0.11000E+01 volume 0.87764E-03 ppm1 1.972 ppm2 3.421 CV 1 ASSI { 502} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 164 and name HD2 )) 4.600 2.600 1.400 peak 502 spectrum 1 weight 0.11000E+01 volume 0.11409E-02 ppm1 1.971 ppm2 3.686 CV 1 ASSI { 504} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HB1 )) 2.900 1.100 1.100 peak 504 spectrum 1 weight 0.11000E+01 volume 0.28260E-02 ppm1 2.218 ppm2 1.588 CV 1 ASSI { 505} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HB2 )) 2.400 0.700 0.700 peak 505 spectrum 1 weight 0.11000E+01 volume 0.93906E-02 ppm1 2.210 ppm2 1.029 CV 1 ASSI { 506} (( segid " " and resid 128 and name HG1 )) ( segid " " and resid 128 and name HE% ) 2.400 0.700 0.700 peak 506 spectrum 1 weight 0.11000E+01 volume 0.51968E-02 ppm1 2.214 ppm2 1.974 CV 1 ASSI { 508} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB1 )) 2.800 2.800 3.200 peak 508 spectrum 1 weight 0.11000E+01 volume 0.35612E-02 ppm1 4.499 ppm2 1.596 CV 1 ASSI { 509} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB2 )) 3.000 3.000 3.000 peak 509 spectrum 1 weight 0.11000E+01 volume 0.16678E-02 ppm1 4.512 ppm2 1.003 CV 1 ASSI { 511} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HG )) 3.000 1.200 1.200 peak 511 spectrum 1 weight 0.11000E+01 volume 0.98250E-03 ppm1 4.529 ppm2 1.390 CV 1 ASSI { 512} (( segid " " and resid 129 and name HA )) (( segid " " and resid 131 and name HN )) 3.100 3.100 2.900 peak 512 spectrum 1 weight 0.11000E+01 volume 0.30772E-02 ppm1 4.535 ppm2 8.334 CV 1 ASSI { 513} (( segid " " and resid 129 and name HA )) (( segid " " and resid 161 and name HA )) 2.800 1.000 1.000 peak 513 spectrum 1 weight 0.11000E+01 volume 0.15063E-02 ppm1 4.529 ppm2 5.586 CV 1 ASSI { 514} (( segid " " and resid 129 and name HA )) ( segid " " and resid 161 and name HD% ) 4.300 2.300 1.700 peak 514 spectrum 1 weight 0.11000E+01 volume 0.25719E-03 ppm1 4.526 ppm2 6.900 CV 1 ASSI { 516} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HB2 )) 2.300 2.300 3.700 peak 516 spectrum 1 weight 0.11000E+01 volume 0.33152E-02 ppm1 1.610 ppm2 0.996 CV 1 ASSI { 517} (( segid " " and resid 129 and name HB1 )) ( segid " " and resid 129 and name HD1%) 3.500 3.500 2.500 peak 517 spectrum 1 weight 0.11000E+01 volume 0.22063E-02 ppm1 1.609 ppm2 0.610 CV 1 ASSI { 518} (( segid " " and resid 129 and name HB1 )) ( segid " " and resid 129 and name HD2%) 3.200 3.200 2.800 peak 518 spectrum 1 weight 0.11000E+01 volume 0.11112E-02 ppm1 1.616 ppm2 -0.003 CV 1 ASSI { 519} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HG )) 3.300 3.300 2.700 peak 519 spectrum 1 weight 0.11000E+01 volume 0.13058E-02 ppm1 1.608 ppm2 1.384 CV 1 ASSI { 522} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 129 and name HD1%) 3.100 3.100 2.900 peak 522 spectrum 1 weight 0.11000E+01 volume 0.15425E-02 ppm1 0.994 ppm2 0.606 CV 1 ASSI { 523} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 129 and name HD2%) 3.800 3.800 2.200 peak 523 spectrum 1 weight 0.11000E+01 volume 0.13346E-02 ppm1 0.994 ppm2 -0.008 CV 1 ASSI { 524} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HG )) 3.300 3.300 2.700 peak 524 spectrum 1 weight 0.11000E+01 volume 0.10953E-02 ppm1 1.001 ppm2 1.368 CV 1 ASSI { 525} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 161 and name HA )) 5.100 5.100 0.900 peak 525 spectrum 1 weight 0.11000E+01 volume 0.44895E-03 ppm1 1.004 ppm2 5.641 CV 1 ASSI { 527} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 128 and name HE% ) 4.300 2.300 1.700 peak 527 spectrum 1 weight 0.11000E+01 volume 0.12219E-02 ppm1 0.610 ppm2 1.997 CV 1 ASSI { 528} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HA )) 3.400 1.400 1.400 peak 528 spectrum 1 weight 0.11000E+01 volume 0.21661E-02 ppm1 0.608 ppm2 4.532 CV 1 ASSI { 531} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 129 and name HD2%) 2.400 0.700 0.700 peak 531 spectrum 1 weight 0.11000E+01 volume 0.10046E-01 ppm1 0.609 ppm2 -0.001 CV 1 ASSI { 532} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HG )) 2.300 0.600 0.600 peak 532 spectrum 1 weight 0.11000E+01 volume 0.94869E-02 ppm1 0.609 ppm2 1.399 CV 1 ASSI { 533} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 159 and name HB1 )) 4.400 2.400 1.600 peak 533 spectrum 1 weight 0.11000E+01 volume 0.12219E-02 ppm1 0.610 ppm2 1.997 CV 1 ASSI { 534} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 159 and name HE21)) 3.800 1.800 1.800 peak 534 spectrum 1 weight 0.11000E+01 volume 0.11275E-02 ppm1 0.609 ppm2 6.790 CV 1 ASSI { 535} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 160 and name HN )) 4.300 2.300 1.700 peak 535 spectrum 1 weight 0.11000E+01 volume 0.78946E-03 ppm1 0.607 ppm2 8.509 CV 1 ASSI { 536} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 161 and name HD% ) 4.000 2.000 2.000 peak 536 spectrum 1 weight 0.11000E+01 volume 0.60115E-03 ppm1 0.610 ppm2 6.935 CV 1 ASSI { 537} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 182 and name HA )) 3.800 3.800 2.200 peak 537 spectrum 1 weight 0.11000E+01 volume 0.35517E-02 ppm1 0.604 ppm2 4.096 CV 1 ASSI { 538} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 128 and name HE% ) 3.500 3.500 2.500 peak 538 spectrum 1 weight 0.11000E+01 volume 0.27993E-02 ppm1 -0.002 ppm2 1.987 CV 1 ASSI { 539} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HA )) 3.000 1.100 1.100 peak 539 spectrum 1 weight 0.11000E+01 volume 0.51253E-02 ppm1 -0.002 ppm2 4.528 CV 1 ASSI { 543} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HG )) 2.500 0.800 0.800 peak 543 spectrum 1 weight 0.11000E+01 volume 0.50564E-02 ppm1 -0.002 ppm2 1.401 CV 1 ASSI { 544} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HA )) 3.600 1.700 1.700 peak 544 spectrum 1 weight 0.11000E+01 volume 0.34506E-02 ppm1 0.002 ppm2 4.571 CV 1 ASSI { 545} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HB1 )) 3.400 1.400 1.400 peak 545 spectrum 1 weight 0.11000E+01 volume 0.24326E-02 ppm1 0.007 ppm2 1.989 CV 1 ASSI { 546} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HB2 )) 3.500 1.600 1.600 peak 546 spectrum 1 weight 0.11000E+01 volume 0.45205E-03 ppm1 0.010 ppm2 2.137 CV 1 ASSI { 547} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HE21)) 3.200 1.300 1.300 peak 547 spectrum 1 weight 0.11000E+01 volume 0.18639E-02 ppm1 -0.002 ppm2 6.771 CV 1 ASSI { 548} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 161 and name HA )) 4.300 2.300 1.700 peak 548 spectrum 1 weight 0.11000E+01 volume 0.11138E-02 ppm1 0.000 ppm2 5.587 CV 1 ASSI { 549} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 161 and name HD% ) 4.000 2.000 2.000 peak 549 spectrum 1 weight 0.11000E+01 volume 0.10222E-02 ppm1 -0.002 ppm2 6.931 CV 1 ASSI { 550} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 182 and name HG1 )) 3.500 3.500 2.500 peak 550 spectrum 1 weight 0.11000E+01 volume 0.18374E-02 ppm1 -0.001 ppm2 1.481 CV 1 ASSI { 551} (( segid " " and resid 129 and name HG )) (( segid " " and resid 127 and name HB1 )) 4.700 4.700 1.300 peak 551 spectrum 1 weight 0.11000E+01 volume 0.41827E-03 ppm1 1.416 ppm2 2.868 CV 1 ASSI { 555} (( segid " " and resid 129 and name HG )) (( segid " " and resid 131 and name HN )) 3.500 3.500 2.500 peak 555 spectrum 1 weight 0.11000E+01 volume 0.19193E-02 ppm1 1.392 ppm2 8.333 CV 1 ASSI { 556} (( segid " " and resid 129 and name HG )) (( segid " " and resid 160 and name HA )) 4.000 2.000 2.000 peak 556 spectrum 1 weight 0.11000E+01 volume 0.36849E-03 ppm1 1.400 ppm2 4.957 CV 1 ASSI { 557} (( segid " " and resid 130 and name HA1 )) (( segid " " and resid 128 and name HN )) 4.600 4.600 1.400 peak 557 spectrum 1 weight 0.11000E+01 volume 0.52974E-03 ppm1 4.434 ppm2 9.096 CV 1 ASSI { 558} (( segid " " and resid 130 and name HA1 )) (( segid " " and resid 129 and name HG )) 5.000 3.100 1.000 peak 558 spectrum 1 weight 0.11000E+01 volume 0.36734E-03 ppm1 4.423 ppm2 1.405 CV 1 ASSI { 559} (( segid " " and resid 130 and name HA1 )) (( segid " " and resid 130 and name HA2 )) 2.100 0.600 0.600 peak 559 spectrum 1 weight 0.11000E+01 volume 0.30814E-02 ppm1 4.434 ppm2 4.145 CV 1 ASSI { 560} (( segid " " and resid 130 and name HA1 )) (( segid " " and resid 131 and name HA )) 3.900 1.900 1.900 peak 560 spectrum 1 weight 0.11000E+01 volume 0.31176E-02 ppm1 4.437 ppm2 4.410 CV 1 ASSI { 561} (( segid " " and resid 130 and name HA1 )) ( segid " " and resid 162 and name HD% ) 3.900 1.900 1.900 peak 561 spectrum 1 weight 0.11000E+01 volume 0.38219E-03 ppm1 4.438 ppm2 7.199 CV 1 ASSI { 562} (( segid " " and resid 130 and name HA1 )) ( segid " " and resid 162 and name HE% ) 3.300 1.400 1.400 peak 562 spectrum 1 weight 0.11000E+01 volume 0.10302E-02 ppm1 4.425 ppm2 6.514 CV 1 ASSI { 564} (( segid " " and resid 130 and name HA2 )) (( segid " " and resid 131 and name HA )) 3.700 1.700 1.700 peak 564 spectrum 1 weight 0.11000E+01 volume 0.28707E-02 ppm1 4.146 ppm2 4.403 CV 1 ASSI { 565} (( segid " " and resid 130 and name HA2 )) ( segid " " and resid 162 and name HE% ) 3.400 1.400 1.400 peak 565 spectrum 1 weight 0.11000E+01 volume 0.11038E-02 ppm1 4.162 ppm2 6.512 CV 1 ASSI { 566} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB1 )) 2.300 0.700 0.700 peak 566 spectrum 1 weight 0.11000E+01 volume 0.78254E-02 ppm1 4.408 ppm2 3.935 CV 1 ASSI { 567} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB2 )) 2.700 0.900 0.900 peak 567 spectrum 1 weight 0.11000E+01 volume 0.62964E-02 ppm1 4.412 ppm2 3.893 CV 1 ASSI { 568} (( segid " " and resid 131 and name HA )) ( segid " " and resid 132 and name HB% ) 4.600 2.600 1.400 peak 568 spectrum 1 weight 0.11000E+01 volume 0.66634E-03 ppm1 4.415 ppm2 1.258 CV 1 ASSI { 569} (( segid " " and resid 131 and name HA )) (( segid " " and resid 159 and name HA )) 3.400 3.400 2.600 peak 569 spectrum 1 weight 0.11000E+01 volume 0.24814E-02 ppm1 4.414 ppm2 4.584 CV 1 ASSI { 570} (( segid " " and resid 131 and name HA )) (( segid " " and resid 159 and name HB2 )) 4.300 2.400 1.700 peak 570 spectrum 1 weight 0.11000E+01 volume 0.44934E-03 ppm1 4.420 ppm2 2.150 CV 1 ASSI { 573} (( segid " " and resid 132 and name HA )) (( segid " " and resid 129 and name HB1 )) 4.500 2.500 1.500 peak 573 spectrum 1 weight 0.11000E+01 volume 0.72869E-03 ppm1 4.385 ppm2 1.673 CV 1 ASSI { 575} (( segid " " and resid 132 and name HA )) (( segid " " and resid 133 and name HB2 )) 4.100 2.100 1.900 peak 575 spectrum 1 weight 0.11000E+01 volume 0.26729E-02 ppm1 4.390 ppm2 1.965 CV 1 ASSI { 576} (( segid " " and resid 132 and name HA )) (( segid " " and resid 158 and name HB1 )) 5.100 5.100 0.900 peak 576 spectrum 1 weight 0.11000E+01 volume 0.33352E-03 ppm1 4.390 ppm2 2.420 CV 1 ASSI { 577} (( segid " " and resid 132 and name HA )) (( segid " " and resid 159 and name HA )) 4.100 2.100 1.900 peak 577 spectrum 1 weight 0.11000E+01 volume 0.70687E-03 ppm1 4.386 ppm2 4.584 CV 1 ASSI { 578} (( segid " " and resid 132 and name HA )) (( segid " " and resid 159 and name HB1 )) 2.100 0.600 0.600 peak 578 spectrum 1 weight 0.11000E+01 volume 0.28830E-02 ppm1 4.392 ppm2 2.000 CV 1 ASSI { 579} (( segid " " and resid 132 and name HA )) (( segid " " and resid 159 and name HB2 )) 3.500 1.600 1.600 peak 579 spectrum 1 weight 0.11000E+01 volume 0.29774E-02 ppm1 4.391 ppm2 2.154 CV 1 ASSI { 580} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 131 and name HB1 )) 4.400 2.400 1.600 peak 580 spectrum 1 weight 0.11000E+01 volume 0.81898E-03 ppm1 1.267 ppm2 3.942 CV 1 ASSI { 581} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 132 and name HA )) 2.100 0.600 0.600 peak 581 spectrum 1 weight 0.11000E+01 volume 0.12213E-01 ppm1 1.266 ppm2 4.392 CV 1 ASSI { 582} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 133 and name HA )) 4.000 2.000 2.000 peak 582 spectrum 1 weight 0.11000E+01 volume 0.84705E-03 ppm1 1.268 ppm2 4.732 CV 1 ASSI { 583} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 158 and name HB1 )) 4.700 2.700 1.300 peak 583 spectrum 1 weight 0.11000E+01 volume 0.55360E-03 ppm1 1.264 ppm2 2.467 CV 1 ASSI { 584} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 158 and name HB2 )) 4.100 2.100 1.900 peak 584 spectrum 1 weight 0.11000E+01 volume 0.54355E-03 ppm1 1.265 ppm2 3.650 CV 1 ASSI { 585} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 159 and name HA )) 5.600 4.000 0.400 peak 585 spectrum 1 weight 0.11000E+01 volume 0.38373E-03 ppm1 1.252 ppm2 4.571 CV 1 ASSI { 586} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 159 and name HB1 )) 3.400 1.400 1.400 peak 586 spectrum 1 weight 0.11000E+01 volume 0.28481E-02 ppm1 1.266 ppm2 2.011 CV 1 ASSI { 587} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 159 and name HB2 )) 4.100 2.100 1.900 peak 587 spectrum 1 weight 0.11000E+01 volume 0.21679E-02 ppm1 1.263 ppm2 2.158 CV 1 ASSI { 588} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB1 )) 2.700 0.900 0.900 peak 588 spectrum 1 weight 0.11000E+01 volume 0.32735E-02 ppm1 4.732 ppm2 2.066 CV 1 ASSI { 589} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) 2.900 1.000 1.000 peak 589 spectrum 1 weight 0.11000E+01 volume 0.26551E-02 ppm1 4.748 ppm2 1.987 CV 1 ASSI { 590} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HG1 )) 4.100 2.100 1.900 peak 590 spectrum 1 weight 0.11000E+01 volume 0.52077E-03 ppm1 4.750 ppm2 2.535 CV 1 ASSI { 591} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HG2 )) 4.100 2.100 1.900 peak 591 spectrum 1 weight 0.11000E+01 volume 0.12819E-02 ppm1 4.761 ppm2 2.471 CV 1 ASSI { 592} (( segid " " and resid 133 and name HA )) (( segid " " and resid 159 and name HB1 )) 3.800 3.800 2.200 peak 592 spectrum 1 weight 0.11000E+01 volume 0.30272E-02 ppm1 4.739 ppm2 1.989 CV 1 ASSI { 595} (( segid " " and resid 133 and name HB1 )) ( segid " " and resid 133 and name HE% ) 3.300 1.400 1.400 peak 595 spectrum 1 weight 0.11000E+01 volume 0.42403E-02 ppm1 2.077 ppm2 1.895 CV 1 ASSI { 596} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 133 and name HG1 )) 3.100 1.200 1.200 peak 596 spectrum 1 weight 0.11000E+01 volume 0.18985E-02 ppm1 2.081 ppm2 2.528 CV 1 ASSI { 597} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 158 and name HA )) 4.500 2.500 1.500 peak 597 spectrum 1 weight 0.11000E+01 volume 0.15506E-02 ppm1 2.086 ppm2 4.744 CV 1 ASSI { 598} (( segid " " and resid 133 and name HB1 )) ( segid " " and resid 212 and name HE% ) 2.400 0.700 0.700 peak 598 spectrum 1 weight 0.11000E+01 volume 0.62943E-02 ppm1 2.077 ppm2 2.176 CV 1 ASSI { 599} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 212 and name HG2 )) 3.700 1.700 1.700 peak 599 spectrum 1 weight 0.11000E+01 volume 0.15145E-02 ppm1 2.084 ppm2 2.492 CV 1 ASSI { 600} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 132 and name HB% ) 4.600 4.600 1.400 peak 600 spectrum 1 weight 0.11000E+01 volume 0.95829E-03 ppm1 1.951 ppm2 1.303 CV 1 ASSI { 602} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 133 and name HE% ) 3.100 1.200 1.200 peak 602 spectrum 1 weight 0.11000E+01 volume 0.48175E-02 ppm1 1.952 ppm2 1.895 CV 1 ASSI { 604} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 136 and name HG2 )) 2.800 2.800 3.200 peak 604 spectrum 1 weight 0.11000E+01 volume 0.95549E-02 ppm1 1.952 ppm2 2.046 CV 1 ASSI { 605} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 158 and name HB1 )) 5.000 3.200 1.000 peak 605 spectrum 1 weight 0.11000E+01 volume 0.77521E-03 ppm1 1.957 ppm2 2.438 CV 1 ASSI { 606} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 212 and name HE% ) 3.700 1.700 1.700 peak 606 spectrum 1 weight 0.11000E+01 volume 0.31208E-02 ppm1 1.952 ppm2 2.176 CV 1 ASSI { 607} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 212 and name HG1 )) 5.700 5.700 0.300 peak 607 spectrum 1 weight 0.11000E+01 volume 0.24940E-03 ppm1 1.941 ppm2 2.779 CV 1 ASSI { 608} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 212 and name HG2 )) 4.000 2.000 2.000 peak 608 spectrum 1 weight 0.11000E+01 volume 0.12566E-02 ppm1 1.959 ppm2 2.492 CV 1 ASSI { 610} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 133 and name HA )) 3.400 3.400 2.600 peak 610 spectrum 1 weight 0.11000E+01 volume 0.68076E-02 ppm1 1.894 ppm2 4.710 CV 1 ASSI { 611} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 133 and name HG2 )) 2.100 0.500 0.500 peak 611 spectrum 1 weight 0.11000E+01 volume 0.72773E-02 ppm1 1.894 ppm2 2.467 CV 1 ASSI { 612} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 135 and name HA )) 2.700 0.900 0.900 peak 612 spectrum 1 weight 0.11000E+01 volume 0.33043E-02 ppm1 1.896 ppm2 4.391 CV 1 ASSI { 613} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 135 and name HD2 )) 3.800 1.800 1.800 peak 613 spectrum 1 weight 0.11000E+01 volume 0.18624E-02 ppm1 1.895 ppm2 3.140 CV 1 ASSI { 614} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 136 and name HD1 )) 2.600 0.800 0.800 peak 614 spectrum 1 weight 0.11000E+01 volume 0.18120E-02 ppm1 1.893 ppm2 3.888 CV 1 ASSI { 615} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 136 and name HD2 )) 2.800 1.000 1.000 peak 615 spectrum 1 weight 0.11000E+01 volume 0.96249E-02 ppm1 1.894 ppm2 3.650 CV 1 ASSI { 616} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 158 and name HA )) 2.200 0.600 0.600 peak 616 spectrum 1 weight 0.11000E+01 volume 0.68076E-02 ppm1 1.894 ppm2 4.710 CV 1 ASSI { 617} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 158 and name HB1 )) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.11000E+01 volume 0.72773E-02 ppm1 1.894 ppm2 2.467 CV 1 ASSI { 618} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 158 and name HB2 )) 2.400 0.700 0.700 peak 618 spectrum 1 weight 0.11000E+01 volume 0.96249E-02 ppm1 1.894 ppm2 3.650 CV 1 ASSI { 619} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 159 and name HA )) 3.200 1.300 1.300 peak 619 spectrum 1 weight 0.11000E+01 volume 0.24316E-02 ppm1 1.896 ppm2 4.586 CV 1 ASSI { 620} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 159 and name HG1 )) 3.500 3.500 2.500 peak 620 spectrum 1 weight 0.11000E+01 volume 0.33288E-02 ppm1 1.891 ppm2 2.348 CV 1 OR { 620} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 159 and name HG2 )) ASSI { 621} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 160 and name HA )) 3.900 3.900 2.100 peak 621 spectrum 1 weight 0.11000E+01 volume 0.11952E-02 ppm1 1.897 ppm2 4.946 CV 1 ASSI { 623} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 208 and name HB )) 2.700 0.900 0.900 peak 623 spectrum 1 weight 0.11000E+01 volume 0.10718E-01 ppm1 1.893 ppm2 2.111 CV 1 ASSI { 624} ( segid " " and resid 133 and name HE% ) ( segid " " and resid 208 and name HG1%) 2.000 0.500 0.500 peak 624 spectrum 1 weight 0.11000E+01 volume 0.10150E-01 ppm1 1.893 ppm2 1.114 CV 1 ASSI { 625} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 209 and name HB )) 2.600 2.600 3.400 peak 625 spectrum 1 weight 0.11000E+01 volume 0.13453E-01 ppm1 1.895 ppm2 2.173 CV 1 ASSI { 626} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 212 and name HA )) 3.900 1.900 1.900 peak 626 spectrum 1 weight 0.11000E+01 volume 0.21130E-02 ppm1 1.896 ppm2 4.118 CV 1 ASSI { 627} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 212 and name HB1 )) 2.000 2.000 4.000 peak 627 spectrum 1 weight 0.11000E+01 volume 0.11657E-01 ppm1 1.893 ppm2 2.192 CV 1 ASSI { 628} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 212 and name HB2 )) 3.000 1.100 1.100 peak 628 spectrum 1 weight 0.11000E+01 volume 0.33288E-02 ppm1 1.886 ppm2 2.335 CV 1 ASSI { 629} ( segid " " and resid 133 and name HE% ) ( segid " " and resid 212 and name HE% ) 2.400 0.700 0.700 peak 629 spectrum 1 weight 0.11000E+01 volume 0.11657E-01 ppm1 1.893 ppm2 2.192 CV 1 ASSI { 630} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 212 and name HG1 )) 3.100 1.200 1.200 peak 630 spectrum 1 weight 0.11000E+01 volume 0.38770E-02 ppm1 1.894 ppm2 2.738 CV 1 ASSI { 631} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 215 and name HB )) 4.600 2.600 1.400 peak 631 spectrum 1 weight 0.11000E+01 volume 0.11073E-02 ppm1 1.892 ppm2 4.306 CV 1 ASSI { 632} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 215 and name HG1 )) 3.700 1.700 1.700 peak 632 spectrum 1 weight 0.11000E+01 volume 0.41941E-02 ppm1 1.896 ppm2 1.238 CV 1 OR { 632} ( segid " " and resid 133 and name HE% ) ( segid " " and resid 215 and name HG2%) ASSI { 633} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 216 and name HN )) 4.600 4.600 1.400 peak 633 spectrum 1 weight 0.11000E+01 volume 0.74832E-03 ppm1 1.894 ppm2 8.748 CV 1 ASSI { 635} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 133 and name HB2 )) 2.900 1.100 1.100 peak 635 spectrum 1 weight 0.11000E+01 volume 0.21651E-02 ppm1 2.534 ppm2 1.986 CV 1 ASSI { 636} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 135 and name HA )) 4.300 2.300 1.700 peak 636 spectrum 1 weight 0.11000E+01 volume 0.49530E-03 ppm1 2.508 ppm2 4.388 CV 1 ASSI { 637} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 158 and name HA )) 4.000 2.000 2.000 peak 637 spectrum 1 weight 0.11000E+01 volume 0.85622E-03 ppm1 2.536 ppm2 4.722 CV 1 ASSI { 638} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 159 and name HB1 )) 3.300 1.300 1.300 peak 638 spectrum 1 weight 0.11000E+01 volume 0.21651E-02 ppm1 2.534 ppm2 1.986 CV 1 ASSI { 639} (( segid " " and resid 133 and name HG1 )) ( segid " " and resid 212 and name HE% ) 3.900 1.900 1.900 peak 639 spectrum 1 weight 0.11000E+01 volume 0.18806E-02 ppm1 2.530 ppm2 2.176 CV 1 ASSI { 640} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 212 and name HG2 )) 2.600 0.900 0.900 peak 640 spectrum 1 weight 0.11000E+01 volume 0.16305E-01 ppm1 2.530 ppm2 2.492 CV 1 ASSI { 641} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 132 and name HA )) 4.200 2.200 1.800 peak 641 spectrum 1 weight 0.11000E+01 volume 0.63990E-03 ppm1 2.457 ppm2 4.386 CV 1 ASSI { 643} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HB2 )) 3.000 1.200 1.200 peak 643 spectrum 1 weight 0.11000E+01 volume 0.24245E-02 ppm1 2.449 ppm2 1.987 CV 1 ASSI { 645} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 158 and name HB1 )) 3.100 1.200 1.200 peak 645 spectrum 1 weight 0.11000E+01 volume 0.13102E-01 ppm1 2.454 ppm2 2.425 CV 1 ASSI { 646} (( segid " " and resid 133 and name HG2 )) ( segid " " and resid 212 and name HE% ) 2.500 0.800 0.800 peak 646 spectrum 1 weight 0.11000E+01 volume 0.19404E-02 ppm1 2.451 ppm2 2.176 CV 1 ASSI { 647} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 212 and name HG2 )) 2.000 2.000 4.000 peak 647 spectrum 1 weight 0.11000E+01 volume 0.16044E-01 ppm1 2.447 ppm2 2.492 CV 1 ASSI { 648} (( segid " " and resid 134 and name HA )) (( segid " " and resid 133 and name HA )) 4.900 3.100 1.100 peak 648 spectrum 1 weight 0.11000E+01 volume 0.33980E-03 ppm1 4.366 ppm2 4.730 CV 1 ASSI { 649} (( segid " " and resid 134 and name HA )) (( segid " " and resid 133 and name HB1 )) 6.000 6.000 0.000 peak 649 spectrum 1 weight 0.11000E+01 volume 0.35056E-04 ppm1 4.358 ppm2 2.061 CV 1 ASSI { 651} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB2 )) 2.600 0.900 0.900 peak 651 spectrum 1 weight 0.11000E+01 volume 0.47350E-02 ppm1 4.350 ppm2 3.807 CV 1 ASSI { 652} (( segid " " and resid 134 and name HA )) (( segid " " and resid 158 and name HA )) 4.800 4.800 1.200 peak 652 spectrum 1 weight 0.11000E+01 volume 0.76695E-03 ppm1 4.357 ppm2 4.750 CV 1 ASSI { 653} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HA )) 2.700 0.900 0.900 peak 653 spectrum 1 weight 0.11000E+01 volume 0.47508E-02 ppm1 3.746 ppm2 4.352 CV 1 ASSI { 654} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HB2 )) 1.600 0.300 0.600 peak 654 spectrum 1 weight 0.11000E+01 volume 0.32076E-01 ppm1 3.744 ppm2 3.779 CV 1 ASSI { 655} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB1 )) 2.800 1.000 1.000 peak 655 spectrum 1 weight 0.11000E+01 volume 0.22622E-02 ppm1 4.397 ppm2 1.859 CV 1 OR { 655} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB2 )) ASSI { 656} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HD1 )) 4.600 2.700 1.400 peak 656 spectrum 1 weight 0.11000E+01 volume 0.47721E-03 ppm1 4.382 ppm2 3.041 CV 1 ASSI { 657} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HG1 )) 3.000 1.100 1.100 peak 657 spectrum 1 weight 0.11000E+01 volume 0.11861E-02 ppm1 4.394 ppm2 1.687 CV 1 ASSI { 658} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HG2 )) 2.600 0.900 0.900 peak 658 spectrum 1 weight 0.11000E+01 volume 0.19924E-02 ppm1 4.394 ppm2 1.802 CV 1 ASSI { 659} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HB1 )) 5.200 3.300 0.800 peak 659 spectrum 1 weight 0.11000E+01 volume 0.47515E-03 ppm1 4.398 ppm2 2.219 CV 1 ASSI { 661} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HD2 )) 3.500 1.500 1.500 peak 661 spectrum 1 weight 0.11000E+01 volume 0.16029E-02 ppm1 4.390 ppm2 3.642 CV 1 ASSI { 662} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 134 and name HA )) 3.500 1.600 1.600 peak 662 spectrum 1 weight 0.11000E+01 volume 0.10416E-02 ppm1 1.855 ppm2 4.360 CV 1 OR { 662} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 134 and name HA )) ASSI { 666} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HG1 )) 2.500 0.800 0.800 peak 666 spectrum 1 weight 0.11000E+01 volume 0.39309E-02 ppm1 1.862 ppm2 1.680 CV 1 OR { 666} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HG1 )) ASSI { 667} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 136 and name HD1 )) 4.600 2.600 1.400 peak 667 spectrum 1 weight 0.11000E+01 volume 0.66484E-03 ppm1 1.875 ppm2 3.874 CV 1 OR { 667} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 136 and name HD1 )) ASSI { 668} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 136 and name HD2 )) 4.400 2.400 1.600 peak 668 spectrum 1 weight 0.11000E+01 volume 0.72537E-03 ppm1 1.860 ppm2 3.650 CV 1 OR { 668} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 136 and name HD2 )) ASSI { 669} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 149 and name HH )) 5.400 3.600 0.600 peak 669 spectrum 1 weight 0.11000E+01 volume 0.14954E-03 ppm1 1.900 ppm2 6.945 CV 1 OR { 669} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 149 and name HH )) ASSI { 670} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HB2 )) 2.800 1.000 1.000 peak 670 spectrum 1 weight 0.11000E+01 volume 0.27494E-02 ppm1 3.037 ppm2 1.859 CV 1 OR { 670} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HB1 )) ASSI { 671} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HG1 )) 3.000 1.100 1.100 peak 671 spectrum 1 weight 0.11000E+01 volume 0.13388E-02 ppm1 3.021 ppm2 1.680 CV 1 ASSI { 672} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HB2 )) 3.200 1.300 1.300 peak 672 spectrum 1 weight 0.11000E+01 volume 0.26033E-02 ppm1 3.145 ppm2 1.844 CV 1 OR { 672} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HB1 )) ASSI { 674} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 135 and name HD2 )) 2.500 0.800 0.800 peak 674 spectrum 1 weight 0.11000E+01 volume 0.34217E-02 ppm1 1.703 ppm2 3.165 CV 1 ASSI { 676} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 137 and name HN )) 4.600 4.600 1.400 peak 676 spectrum 1 weight 0.11000E+01 volume 0.64990E-03 ppm1 1.705 ppm2 8.728 CV 1 ASSI { 679} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HD2 )) 2.900 1.000 1.000 peak 679 spectrum 1 weight 0.11000E+01 volume 0.16734E-02 ppm1 1.786 ppm2 3.148 CV 1 ASSI { 680} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 137 and name HN )) 3.200 3.200 2.800 peak 680 spectrum 1 weight 0.11000E+01 volume 0.80766E-03 ppm1 1.812 ppm2 8.755 CV 1 ASSI { 681} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB1 )) 2.600 0.800 0.800 peak 681 spectrum 1 weight 0.11000E+01 volume 0.39477E-02 ppm1 4.386 ppm2 2.233 CV 1 ASSI { 682} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HD2 )) 3.900 1.900 1.900 peak 682 spectrum 1 weight 0.11000E+01 volume 0.64576E-03 ppm1 4.396 ppm2 3.650 CV 1 ASSI { 683} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HG1 )) 3.300 1.400 1.400 peak 683 spectrum 1 weight 0.11000E+01 volume 0.30988E-02 ppm1 4.387 ppm2 1.764 CV 1 ASSI { 684} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HG2 )) 4.000 2.000 2.000 peak 684 spectrum 1 weight 0.11000E+01 volume 0.17617E-02 ppm1 4.393 ppm2 2.038 CV 1 ASSI { 685} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HB1 )) 3.900 1.900 1.900 peak 685 spectrum 1 weight 0.11000E+01 volume 0.81257E-03 ppm1 4.384 ppm2 1.651 CV 1 ASSI { 687} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 136 and name HG1 )) 2.300 0.700 0.700 peak 687 spectrum 1 weight 0.11000E+01 volume 0.49515E-02 ppm1 2.244 ppm2 1.774 CV 1 ASSI { 688} (( segid " " and resid 136 and name HB1 )) ( segid " " and resid 137 and name HD2%) 4.700 2.800 1.300 peak 688 spectrum 1 weight 0.11000E+01 volume 0.65228E-03 ppm1 2.241 ppm2 0.877 CV 1 ASSI { 690} (( segid " " and resid 136 and name HB1 )) ( segid " " and resid 208 and name HG2%) 4.700 2.800 1.300 peak 690 spectrum 1 weight 0.11000E+01 volume 0.17555E-02 ppm1 2.242 ppm2 1.024 CV 1 ASSI { 691} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HA )) 3.300 1.300 1.300 peak 691 spectrum 1 weight 0.11000E+01 volume 0.23391E-02 ppm1 1.886 ppm2 4.405 CV 1 ASSI { 692} (( segid " " and resid 136 and name HB2 )) ( segid " " and resid 138 and name HD1%) 4.100 2.100 1.900 peak 692 spectrum 1 weight 0.11000E+01 volume 0.59078E-03 ppm1 1.872 ppm2 0.408 CV 1 ASSI { 693} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 135 and name HA )) 2.300 0.600 0.600 peak 693 spectrum 1 weight 0.11000E+01 volume 0.16595E-02 ppm1 3.887 ppm2 4.390 CV 1 ASSI { 697} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 149 and name HH )) 3.600 3.600 2.400 peak 697 spectrum 1 weight 0.11000E+01 volume 0.46049E-03 ppm1 3.625 ppm2 6.906 CV 1 ASSI { 698} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 208 and name HA )) 4.000 4.000 2.000 peak 698 spectrum 1 weight 0.11000E+01 volume 0.12824E-02 ppm1 3.634 ppm2 3.460 CV 1 ASSI { 701} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HD1 )) 2.700 0.900 0.900 peak 701 spectrum 1 weight 0.11000E+01 volume 0.30090E-02 ppm1 2.031 ppm2 3.839 CV 1 ASSI { 702} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HD2 )) 2.400 0.700 0.700 peak 702 spectrum 1 weight 0.11000E+01 volume 0.25004E-02 ppm1 2.031 ppm2 3.629 CV 1 ASSI { 705} (( segid " " and resid 136 and name HG2 )) ( segid " " and resid 208 and name HG1%) 3.200 1.300 1.300 peak 705 spectrum 1 weight 0.11000E+01 volume 0.92356E-03 ppm1 2.023 ppm2 1.111 CV 1 ASSI { 706} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB1 )) 2.600 0.900 0.900 peak 706 spectrum 1 weight 0.11000E+01 volume 0.44093E-02 ppm1 4.562 ppm2 1.643 CV 1 ASSI { 707} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB2 )) 2.700 0.900 0.900 peak 707 spectrum 1 weight 0.11000E+01 volume 0.28228E-02 ppm1 4.565 ppm2 1.528 CV 1 ASSI { 709} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HG11)) 4.900 3.100 1.100 peak 709 spectrum 1 weight 0.11000E+01 volume 0.61924E-03 ppm1 4.561 ppm2 0.690 CV 1 ASSI { 710} (( segid " " and resid 137 and name HA )) ( segid " " and resid 149 and name HD% ) 3.700 3.700 2.300 peak 710 spectrum 1 weight 0.11000E+01 volume 0.22301E-02 ppm1 4.565 ppm2 6.968 CV 1 ASSI { 711} (( segid " " and resid 137 and name HA )) (( segid " " and resid 149 and name HH )) 2.700 0.900 0.900 peak 711 spectrum 1 weight 0.11000E+01 volume 0.22109E-02 ppm1 4.559 ppm2 6.946 CV 1 ASSI { 713} (( segid " " and resid 137 and name HB1 )) ( segid " " and resid 137 and name HD1%) 3.100 1.200 1.200 peak 713 spectrum 1 weight 0.11000E+01 volume 0.15562E-02 ppm1 1.658 ppm2 0.916 CV 1 ASSI { 714} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 135 and name HD2 )) 3.700 3.700 2.300 peak 714 spectrum 1 weight 0.11000E+01 volume 0.17428E-02 ppm1 1.583 ppm2 3.139 CV 1 ASSI { 716} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 137 and name HD1%) 4.000 4.000 2.000 peak 716 spectrum 1 weight 0.11000E+01 volume 0.17042E-02 ppm1 1.527 ppm2 0.914 CV 1 ASSI { 717} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HG )) 2.200 0.600 0.600 peak 717 spectrum 1 weight 0.11000E+01 volume 0.10662E-01 ppm1 1.528 ppm2 1.616 CV 1 ASSI { 718} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 137 and name HA )) 3.300 1.400 1.400 peak 718 spectrum 1 weight 0.11000E+01 volume 0.14997E-02 ppm1 0.940 ppm2 4.548 CV 1 ASSI { 719} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 137 and name HG )) 2.500 0.800 0.800 peak 719 spectrum 1 weight 0.11000E+01 volume 0.66000E-02 ppm1 0.941 ppm2 1.610 CV 1 ASSI { 720} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 138 and name HB )) 2.900 2.900 3.100 peak 720 spectrum 1 weight 0.11000E+01 volume 0.69663E-02 ppm1 0.939 ppm2 1.218 CV 1 ASSI { 721} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 137 and name HA )) 2.400 0.700 0.700 peak 721 spectrum 1 weight 0.11000E+01 volume 0.53844E-02 ppm1 0.870 ppm2 4.560 CV 1 ASSI { 722} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 137 and name HG )) 2.400 0.700 0.700 peak 722 spectrum 1 weight 0.11000E+01 volume 0.80540E-02 ppm1 0.870 ppm2 1.594 CV 1 ASSI { 723} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 138 and name HG11)) 3.400 3.400 2.600 peak 723 spectrum 1 weight 0.11000E+01 volume 0.67609E-02 ppm1 0.870 ppm2 0.713 CV 1 ASSI { 724} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 149 and name HH )) 4.200 2.200 1.800 peak 724 spectrum 1 weight 0.11000E+01 volume 0.11100E-02 ppm1 0.871 ppm2 6.946 CV 1 ASSI { 726} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB )) 3.100 1.200 1.200 peak 726 spectrum 1 weight 0.11000E+01 volume 0.19028E-02 ppm1 3.942 ppm2 1.174 CV 1 ASSI { 728} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HG11)) 3.700 1.800 1.800 peak 728 spectrum 1 weight 0.11000E+01 volume 0.14069E-02 ppm1 3.948 ppm2 0.708 CV 1 ASSI { 729} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HG12)) 3.400 1.400 1.400 peak 729 spectrum 1 weight 0.11000E+01 volume 0.68418E-03 ppm1 3.943 ppm2 0.900 CV 1 ASSI { 731} (( segid " " and resid 138 and name HA )) (( segid " " and resid 140 and name HZ )) 5.100 3.200 0.900 peak 731 spectrum 1 weight 0.11000E+01 volume 0.51172E-03 ppm1 3.941 ppm2 7.275 CV 1 ASSI { 732} (( segid " " and resid 138 and name HB )) (( segid " " and resid 137 and name HA )) 5.000 3.100 1.000 peak 732 spectrum 1 weight 0.11000E+01 volume 0.41578E-03 ppm1 1.159 ppm2 4.571 CV 1 ASSI { 735} (( segid " " and resid 138 and name HB )) (( segid " " and resid 138 and name HG11)) 2.700 0.900 0.900 peak 735 spectrum 1 weight 0.11000E+01 volume 0.13122E-02 ppm1 1.172 ppm2 0.697 CV 1 ASSI { 736} (( segid " " and resid 138 and name HB )) (( segid " " and resid 138 and name HG12)) 3.000 1.100 1.100 peak 736 spectrum 1 weight 0.11000E+01 volume 0.18647E-02 ppm1 1.172 ppm2 0.884 CV 1 ASSI { 738} (( segid " " and resid 138 and name HB )) (( segid " " and resid 139 and name HE2 )) 4.300 4.300 1.700 peak 738 spectrum 1 weight 0.11000E+01 volume 0.51151E-03 ppm1 1.177 ppm2 6.570 CV 1 ASSI { 740} (( segid " " and resid 138 and name HB )) (( segid " " and resid 208 and name HB )) 5.600 3.900 0.400 peak 740 spectrum 1 weight 0.11000E+01 volume 0.41900E-03 ppm1 1.174 ppm2 2.110 CV 1 ASSI { 741} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 135 and name HE )) 3.300 3.300 2.700 peak 741 spectrum 1 weight 0.11000E+01 volume 0.57751E-02 ppm1 0.406 ppm2 8.610 CV 1 ASSI { 742} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 136 and name HB1 )) 4.200 2.200 1.800 peak 742 spectrum 1 weight 0.11000E+01 volume 0.20822E-02 ppm1 0.414 ppm2 2.230 CV 1 ASSI { 743} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 136 and name HG1 )) 3.800 1.800 1.800 peak 743 spectrum 1 weight 0.11000E+01 volume 0.26763E-02 ppm1 0.408 ppm2 1.780 CV 1 ASSI { 744} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 136 and name HG2 )) 2.200 0.600 0.600 peak 744 spectrum 1 weight 0.11000E+01 volume 0.47853E-02 ppm1 0.408 ppm2 2.074 CV 1 ASSI { 745} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HA )) 3.000 1.100 1.100 peak 745 spectrum 1 weight 0.11000E+01 volume 0.24472E-02 ppm1 0.408 ppm2 3.943 CV 1 ASSI { 746} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HB )) 3.100 1.200 1.200 peak 746 spectrum 1 weight 0.11000E+01 volume 0.41335E-02 ppm1 0.409 ppm2 1.178 CV 1 ASSI { 747} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HG11)) 2.200 0.600 0.600 peak 747 spectrum 1 weight 0.11000E+01 volume 0.66253E-02 ppm1 0.408 ppm2 0.700 CV 1 ASSI { 748} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HG12)) 2.300 0.700 0.700 peak 748 spectrum 1 weight 0.11000E+01 volume 0.49279E-02 ppm1 0.412 ppm2 0.895 CV 1 ASSI { 749} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 138 and name HG2%) 2.400 0.700 0.700 peak 749 spectrum 1 weight 0.11000E+01 volume 0.59860E-02 ppm1 0.408 ppm2 0.044 CV 1 ASSI { 750} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 139 and name HE2 )) 3.700 3.700 2.300 peak 750 spectrum 1 weight 0.11000E+01 volume 0.13468E-02 ppm1 0.409 ppm2 6.580 CV 1 ASSI { 753} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 207 and name HB1 )) 4.000 2.000 2.000 peak 753 spectrum 1 weight 0.11000E+01 volume 0.21620E-02 ppm1 0.408 ppm2 1.918 CV 1 ASSI { 754} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 207 and name HD2 )) 3.900 1.900 1.900 peak 754 spectrum 1 weight 0.11000E+01 volume 0.93786E-03 ppm1 0.409 ppm2 3.197 CV 1 ASSI { 755} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 208 and name HA )) 2.600 0.800 0.800 peak 755 spectrum 1 weight 0.11000E+01 volume 0.34137E-02 ppm1 0.409 ppm2 3.530 CV 1 ASSI { 756} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 208 and name HG2%) 2.800 1.000 1.000 peak 756 spectrum 1 weight 0.11000E+01 volume 0.46815E-02 ppm1 0.407 ppm2 1.054 CV 1 ASSI { 757} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 211 and name HG2 )) 2.700 0.900 0.900 peak 757 spectrum 1 weight 0.11000E+01 volume 0.25116E-02 ppm1 0.406 ppm2 2.405 CV 1 ASSI { 758} (( segid " " and resid 138 and name HG11)) (( segid " " and resid 136 and name HG1 )) 4.900 3.000 1.100 peak 758 spectrum 1 weight 0.11000E+01 volume 0.66532E-03 ppm1 0.697 ppm2 1.784 CV 1 ASSI { 766} (( segid " " and resid 138 and name HG11)) ( segid " " and resid 208 and name HG1%) 3.100 1.200 1.200 peak 766 spectrum 1 weight 0.11000E+01 volume 0.83613E-03 ppm1 0.703 ppm2 1.109 CV 1 ASSI { 767} (( segid " " and resid 138 and name HG12)) (( segid " " and resid 136 and name HG1 )) 5.300 3.600 0.700 peak 767 spectrum 1 weight 0.11000E+01 volume 0.28460E-03 ppm1 0.866 ppm2 1.737 CV 1 ASSI { 771} (( segid " " and resid 138 and name HG12)) (( segid " " and resid 138 and name HG11)) 1.900 0.400 0.400 peak 771 spectrum 1 weight 0.11000E+01 volume 0.41032E-02 ppm1 0.893 ppm2 0.731 CV 1 ASSI { 773} (( segid " " and resid 138 and name HG12)) ( segid " " and resid 208 and name HG1%) 4.000 4.000 2.000 peak 773 spectrum 1 weight 0.11000E+01 volume 0.56757E-03 ppm1 0.864 ppm2 1.069 CV 1 ASSI { 774} (( segid " " and resid 138 and name HG12)) (( segid " " and resid 212 and name HB2 )) 5.400 3.600 0.600 peak 774 spectrum 1 weight 0.11000E+01 volume 0.40643E-03 ppm1 0.896 ppm2 2.312 CV 1 ASSI { 775} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 135 and name HG2 )) 4.000 4.000 2.000 peak 775 spectrum 1 weight 0.11000E+01 volume 0.19656E-02 ppm1 0.051 ppm2 1.787 CV 1 ASSI { 776} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 136 and name HB1 )) 5.100 3.200 0.900 peak 776 spectrum 1 weight 0.11000E+01 volume 0.10582E-02 ppm1 0.048 ppm2 2.234 CV 1 ASSI { 777} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 136 and name HG2 )) 4.600 2.600 1.400 peak 777 spectrum 1 weight 0.11000E+01 volume 0.14250E-02 ppm1 0.056 ppm2 2.065 CV 1 ASSI { 778} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HA )) 2.600 0.900 0.900 peak 778 spectrum 1 weight 0.11000E+01 volume 0.47159E-02 ppm1 0.046 ppm2 3.943 CV 1 ASSI { 779} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HB )) 2.300 0.700 0.700 peak 779 spectrum 1 weight 0.11000E+01 volume 0.73190E-02 ppm1 0.045 ppm2 1.169 CV 1 ASSI { 781} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HG11)) 2.800 1.000 1.000 peak 781 spectrum 1 weight 0.11000E+01 volume 0.38016E-02 ppm1 0.046 ppm2 0.702 CV 1 ASSI { 782} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HG12)) 3.100 1.200 1.200 peak 782 spectrum 1 weight 0.11000E+01 volume 0.35733E-02 ppm1 0.048 ppm2 0.879 CV 1 ASSI { 783} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HE2 )) 3.600 1.600 1.600 peak 783 spectrum 1 weight 0.11000E+01 volume 0.10944E-02 ppm1 0.047 ppm2 6.575 CV 1 ASSI { 784} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 140 and name HA )) 3.500 1.500 1.500 peak 784 spectrum 1 weight 0.11000E+01 volume 0.12307E-02 ppm1 0.049 ppm2 4.230 CV 1 ASSI { 785} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 140 and name HD% ) 3.300 1.400 1.400 peak 785 spectrum 1 weight 0.11000E+01 volume 0.16887E-02 ppm1 0.045 ppm2 7.387 CV 1 ASSI { 787} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 207 and name HB1 )) 4.800 2.900 1.200 peak 787 spectrum 1 weight 0.11000E+01 volume 0.87141E-03 ppm1 0.030 ppm2 1.941 CV 1 ASSI { 788} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 207 and name HD2 )) 3.500 1.500 1.500 peak 788 spectrum 1 weight 0.11000E+01 volume 0.75710E-03 ppm1 0.051 ppm2 3.200 CV 1 ASSI { 789} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 208 and name HA )) 4.500 2.500 1.500 peak 789 spectrum 1 weight 0.11000E+01 volume 0.63141E-03 ppm1 0.051 ppm2 3.541 CV 1 ASSI { 790} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 211 and name HG2 )) 3.900 1.900 1.900 peak 790 spectrum 1 weight 0.11000E+01 volume 0.11750E-02 ppm1 0.049 ppm2 2.396 CV 1 ASSI { 791} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB1 )) 2.700 0.900 0.900 peak 791 spectrum 1 weight 0.11000E+01 volume 0.27479E-02 ppm1 4.934 ppm2 3.278 CV 1 ASSI { 792} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB2 )) 3.200 1.300 1.300 peak 792 spectrum 1 weight 0.11000E+01 volume 0.23971E-02 ppm1 4.935 ppm2 2.970 CV 1 ASSI { 793} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HD2 )) 4.500 2.600 1.500 peak 793 spectrum 1 weight 0.11000E+01 volume 0.51259E-03 ppm1 4.928 ppm2 7.384 CV 1 ASSI { 795} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 139 and name HB2 )) 2.100 0.500 0.500 peak 795 spectrum 1 weight 0.11000E+01 volume 0.68168E-02 ppm1 3.277 ppm2 2.981 CV 1 ASSI { 796} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 140 and name HA )) 5.600 5.600 0.400 peak 796 spectrum 1 weight 0.11000E+01 volume 0.45646E-03 ppm1 3.268 ppm2 4.202 CV 1 ASSI { 799} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 140 and name HA )) 4.700 2.800 1.300 peak 799 spectrum 1 weight 0.11000E+01 volume 0.45100E-03 ppm1 2.969 ppm2 4.200 CV 1 ASSI { 800} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 142 and name HN )) 4.700 2.800 1.300 peak 800 spectrum 1 weight 0.11000E+01 volume 0.48085E-03 ppm1 2.975 ppm2 7.232 CV 1 ASSI { 801} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB1 )) 2.800 1.000 1.000 peak 801 spectrum 1 weight 0.11000E+01 volume 0.25947E-02 ppm1 4.239 ppm2 3.356 CV 1 ASSI { 803} (( segid " " and resid 140 and name HA )) ( segid " " and resid 140 and name HD% ) 3.100 1.200 1.200 peak 803 spectrum 1 weight 0.11000E+01 volume 0.15722E-02 ppm1 4.241 ppm2 7.382 CV 1 ASSI { 806} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 140 and name HB2 )) 2.300 0.700 0.700 peak 806 spectrum 1 weight 0.11000E+01 volume 0.26700E-02 ppm1 3.361 ppm2 2.860 CV 1 ASSI { 807} (( segid " " and resid 140 and name HB1 )) ( segid " " and resid 140 and name HD% ) 3.500 1.500 1.500 peak 807 spectrum 1 weight 0.11000E+01 volume 0.11078E-02 ppm1 3.361 ppm2 7.383 CV 1 ASSI { 808} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 142 and name HB1 )) 3.500 1.500 1.500 peak 808 spectrum 1 weight 0.11000E+01 volume 0.23743E-02 ppm1 3.363 ppm2 2.815 CV 1 ASSI { 809} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 142 and name HB2 )) 2.900 1.100 1.100 peak 809 spectrum 1 weight 0.11000E+01 volume 0.23743E-02 ppm1 3.363 ppm2 2.829 CV 1 ASSI { 810} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 145 and name HB1 )) 4.300 2.300 1.700 peak 810 spectrum 1 weight 0.11000E+01 volume 0.55195E-03 ppm1 3.352 ppm2 1.894 CV 1 ASSI { 811} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 145 and name HB2 )) 3.700 1.800 1.800 peak 811 spectrum 1 weight 0.11000E+01 volume 0.53543E-03 ppm1 3.370 ppm2 1.387 CV 1 ASSI { 812} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 146 and name HB1 )) 5.200 3.400 0.800 peak 812 spectrum 1 weight 0.11000E+01 volume 0.96323E-03 ppm1 3.363 ppm2 2.946 CV 1 ASSI { 813} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HA )) 3.900 1.900 1.900 peak 813 spectrum 1 weight 0.11000E+01 volume 0.79194E-03 ppm1 2.840 ppm2 4.244 CV 1 ASSI { 816} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 142 and name HB1 )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.11000E+01 volume 0.35954E-02 ppm1 2.857 ppm2 2.815 CV 1 ASSI { 818} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 145 and name HB1 )) 4.400 2.400 1.600 peak 818 spectrum 1 weight 0.11000E+01 volume 0.62264E-03 ppm1 2.864 ppm2 1.888 CV 1 ASSI { 820} (( segid " " and resid 141 and name HA1 )) (( segid " " and resid 141 and name HA2 )) 2.100 0.600 0.600 peak 820 spectrum 1 weight 0.11000E+01 volume 0.73741E-02 ppm1 4.120 ppm2 3.746 CV 1 ASSI { 822} (( segid " " and resid 142 and name HA )) (( segid " " and resid 142 and name HB1 )) 2.500 0.800 0.800 peak 822 spectrum 1 weight 0.11000E+01 volume 0.55633E-02 ppm1 4.870 ppm2 2.822 CV 1 ASSI { 823} (( segid " " and resid 142 and name HA )) (( segid " " and resid 143 and name HB1 )) 4.200 2.200 1.800 peak 823 spectrum 1 weight 0.11000E+01 volume 0.16619E-02 ppm1 4.872 ppm2 2.923 CV 1 ASSI { 824} (( segid " " and resid 142 and name HA )) (( segid " " and resid 143 and name HB2 )) 3.800 1.800 1.800 peak 824 spectrum 1 weight 0.11000E+01 volume 0.19798E-02 ppm1 4.868 ppm2 2.736 CV 1 ASSI { 826} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 143 and name HA )) 4.000 2.000 2.000 peak 826 spectrum 1 weight 0.11000E+01 volume 0.10503E-02 ppm1 2.842 ppm2 4.433 CV 1 ASSI { 828} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 140 and name HB2 )) 2.200 0.600 0.600 peak 828 spectrum 1 weight 0.11000E+01 volume 0.85043E-02 ppm1 2.842 ppm2 2.874 CV 1 ASSI { 829} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HA )) 3.100 1.200 1.200 peak 829 spectrum 1 weight 0.11000E+01 volume 0.21742E-02 ppm1 2.840 ppm2 4.859 CV 1 ASSI { 830} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 147 and name HB1 )) 5.700 5.700 0.300 peak 830 spectrum 1 weight 0.11000E+01 volume 0.35017E-03 ppm1 2.846 ppm2 1.935 CV 1 ASSI { 832} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HB2 )) 2.700 0.900 0.900 peak 832 spectrum 1 weight 0.11000E+01 volume 0.65247E-02 ppm1 4.432 ppm2 2.715 CV 1 ASSI { 834} (( segid " " and resid 143 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.900 1.000 1.000 peak 834 spectrum 1 weight 0.11000E+01 volume 0.44282E-02 ppm1 4.448 ppm2 2.763 CV 1 ASSI { 835} (( segid " " and resid 143 and name HA )) (( segid " " and resid 146 and name HN )) 4.400 2.500 1.600 peak 835 spectrum 1 weight 0.11000E+01 volume 0.39824E-03 ppm1 4.421 ppm2 8.020 CV 1 ASSI { 836} (( segid " " and resid 143 and name HA )) (( segid " " and resid 147 and name HA )) 3.900 3.900 2.100 peak 836 spectrum 1 weight 0.11000E+01 volume 0.11012E-02 ppm1 4.418 ppm2 4.055 CV 1 ASSI { 837} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HA )) 3.500 1.500 1.500 peak 837 spectrum 1 weight 0.11000E+01 volume 0.10998E-02 ppm1 2.941 ppm2 4.420 CV 1 ASSI { 838} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 146 and name HB2 )) 3.800 1.800 1.800 peak 838 spectrum 1 weight 0.11000E+01 volume 0.20013E-02 ppm1 2.942 ppm2 2.730 CV 1 ASSI { 841} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB1 )) 3.000 1.200 1.200 peak 841 spectrum 1 weight 0.11000E+01 volume 0.31906E-02 ppm1 4.224 ppm2 3.227 CV 1 ASSI { 842} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB2 )) 2.900 1.100 1.100 peak 842 spectrum 1 weight 0.11000E+01 volume 0.22324E-02 ppm1 4.222 ppm2 3.046 CV 1 ASSI { 843} (( segid " " and resid 144 and name HA )) ( segid " " and resid 144 and name HD% ) 3.000 1.100 1.100 peak 843 spectrum 1 weight 0.11000E+01 volume 0.18247E-02 ppm1 4.222 ppm2 7.084 CV 1 ASSI { 844} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HB1 )) 3.000 1.100 1.100 peak 844 spectrum 1 weight 0.11000E+01 volume 0.11739E-02 ppm1 4.235 ppm2 1.923 CV 1 ASSI { 845} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HD1 )) 3.500 3.500 2.500 peak 845 spectrum 1 weight 0.11000E+01 volume 0.28550E-02 ppm1 4.219 ppm2 3.233 CV 1 ASSI { 846} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HD2 )) 3.100 1.200 1.200 peak 846 spectrum 1 weight 0.11000E+01 volume 0.24635E-02 ppm1 4.225 ppm2 3.170 CV 1 ASSI { 848} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HB2 )) 2.300 0.600 0.600 peak 848 spectrum 1 weight 0.11000E+01 volume 0.39037E-02 ppm1 3.228 ppm2 3.061 CV 1 ASSI { 851} (( segid " " and resid 144 and name HB2 )) ( segid " " and resid 144 and name HD% ) 3.500 1.500 1.500 peak 851 spectrum 1 weight 0.11000E+01 volume 0.94433E-03 ppm1 3.047 ppm2 7.083 CV 1 ASSI { 852} (( segid " " and resid 145 and name HA )) ( segid " " and resid 144 and name HD% ) 4.100 2.100 1.900 peak 852 spectrum 1 weight 0.11000E+01 volume 0.47032E-03 ppm1 3.537 ppm2 7.060 CV 1 ASSI { 853} (( segid " " and resid 145 and name HA )) ( segid " " and resid 144 and name HE% ) 4.400 4.400 1.600 peak 853 spectrum 1 weight 0.11000E+01 volume 0.63106E-03 ppm1 3.529 ppm2 6.702 CV 1 ASSI { 854} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB1 )) 2.600 0.800 0.800 peak 854 spectrum 1 weight 0.11000E+01 volume 0.26289E-02 ppm1 3.537 ppm2 1.886 CV 1 ASSI { 855} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB2 )) 3.400 1.400 1.400 peak 855 spectrum 1 weight 0.11000E+01 volume 0.14988E-02 ppm1 3.540 ppm2 1.376 CV 1 ASSI { 856} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HG1 )) 3.500 1.600 1.600 peak 856 spectrum 1 weight 0.11000E+01 volume 0.14384E-02 ppm1 3.542 ppm2 2.509 CV 1 ASSI { 857} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HG2 )) 2.800 1.000 1.000 peak 857 spectrum 1 weight 0.11000E+01 volume 0.26387E-02 ppm1 3.541 ppm2 1.852 CV 1 ASSI { 858} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HB1 )) 3.800 1.800 1.800 peak 858 spectrum 1 weight 0.11000E+01 volume 0.14243E-02 ppm1 3.535 ppm2 2.765 CV 1 ASSI { 859} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HB2 )) 2.700 0.900 0.900 peak 859 spectrum 1 weight 0.11000E+01 volume 0.14426E-02 ppm1 3.534 ppm2 2.574 CV 1 ASSI { 860} (( segid " " and resid 145 and name HA )) ( segid " " and resid 148 and name HD% ) 3.400 1.500 1.500 peak 860 spectrum 1 weight 0.11000E+01 volume 0.55188E-03 ppm1 3.528 ppm2 6.844 CV 1 ASSI { 861} (( segid " " and resid 145 and name HA )) ( segid " " and resid 200 and name HG2%) 3.500 1.600 1.600 peak 861 spectrum 1 weight 0.11000E+01 volume 0.91376E-03 ppm1 3.547 ppm2 0.631 CV 1 ASSI { 862} (( segid " " and resid 145 and name HA )) ( segid " " and resid 204 and name HD1%) 4.300 2.300 1.700 peak 862 spectrum 1 weight 0.11000E+01 volume 0.93239E-03 ppm1 3.527 ppm2 0.640 CV 1 ASSI { 863} (( segid " " and resid 145 and name HA )) (( segid " " and resid 204 and name HG11)) 5.300 3.500 0.700 peak 863 spectrum 1 weight 0.11000E+01 volume 0.42537E-03 ppm1 3.536 ppm2 1.573 CV 1 ASSI { 864} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 142 and name HB1 )) 4.800 2.900 1.200 peak 864 spectrum 1 weight 0.11000E+01 volume 0.87734E-03 ppm1 1.887 ppm2 2.818 CV 1 ASSI { 865} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 142 and name HB2 )) 4.700 2.700 1.300 peak 865 spectrum 1 weight 0.11000E+01 volume 0.98489E-03 ppm1 1.877 ppm2 2.816 CV 1 ASSI { 866} (( segid " " and resid 145 and name HB1 )) ( segid " " and resid 204 and name HD1%) 4.400 4.400 1.600 peak 866 spectrum 1 weight 0.11000E+01 volume 0.45803E-03 ppm1 1.903 ppm2 0.629 CV 1 ASSI { 867} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 140 and name HB2 )) 3.500 1.500 1.500 peak 867 spectrum 1 weight 0.11000E+01 volume 0.93339E-03 ppm1 1.384 ppm2 2.861 CV 1 ASSI { 869} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HB1 )) 2.300 0.700 0.700 peak 869 spectrum 1 weight 0.11000E+01 volume 0.25234E-02 ppm1 1.385 ppm2 1.890 CV 1 ASSI { 870} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HG1 )) 3.100 1.200 1.200 peak 870 spectrum 1 weight 0.11000E+01 volume 0.10511E-02 ppm1 1.374 ppm2 2.488 CV 1 ASSI { 872} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 144 and name HD% ) 5.300 5.300 0.700 peak 872 spectrum 1 weight 0.11000E+01 volume 0.24352E-03 ppm1 2.500 ppm2 7.118 CV 1 ASSI { 874} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HG2 )) 2.200 0.600 0.600 peak 874 spectrum 1 weight 0.11000E+01 volume 0.41118E-02 ppm1 2.481 ppm2 1.862 CV 1 ASSI { 875} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 148 and name HB1 )) 6.000 4.900 0.000 peak 875 spectrum 1 weight 0.11000E+01 volume 0.23385E-03 ppm1 2.483 ppm2 2.766 CV 1 ASSI { 876} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 148 and name HB2 )) 4.500 2.500 1.500 peak 876 spectrum 1 weight 0.11000E+01 volume 0.12009E-02 ppm1 2.483 ppm2 2.587 CV 1 ASSI { 877} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 200 and name HG2%) 4.600 2.600 1.400 peak 877 spectrum 1 weight 0.11000E+01 volume 0.68625E-03 ppm1 2.484 ppm2 0.642 CV 1 ASSI { 878} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 204 and name HD1%) 4.800 2.800 1.200 peak 878 spectrum 1 weight 0.11000E+01 volume 0.74063E-03 ppm1 2.496 ppm2 0.632 CV 1 ASSI { 879} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 143 and name HB2 )) 5.300 5.300 0.700 peak 879 spectrum 1 weight 0.11000E+01 volume 0.49076E-03 ppm1 1.869 ppm2 2.811 CV 1 ASSI { 880} (( segid " " and resid 145 and name HG2 )) ( segid " " and resid 144 and name HD% ) 4.300 2.300 1.700 peak 880 spectrum 1 weight 0.11000E+01 volume 0.53080E-03 ppm1 1.848 ppm2 7.077 CV 1 ASSI { 882} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HB2 )) 3.700 1.700 1.700 peak 882 spectrum 1 weight 0.11000E+01 volume 0.10508E-02 ppm1 1.842 ppm2 1.385 CV 1 ASSI { 884} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 148 and name HB1 )) 5.100 5.100 0.900 peak 884 spectrum 1 weight 0.11000E+01 volume 0.50145E-03 ppm1 1.868 ppm2 2.806 CV 1 ASSI { 885} (( segid " " and resid 145 and name HG2 )) ( segid " " and resid 200 and name HG2%) 3.600 1.600 1.600 peak 885 spectrum 1 weight 0.11000E+01 volume 0.52439E-03 ppm1 1.846 ppm2 0.622 CV 1 ASSI { 886} (( segid " " and resid 146 and name HA )) ( segid " " and resid 140 and name HD% ) 2.800 1.000 1.000 peak 886 spectrum 1 weight 0.11000E+01 volume 0.18274E-02 ppm1 4.668 ppm2 7.375 CV 1 ASSI { 888} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB1 )) 3.000 1.200 1.200 peak 888 spectrum 1 weight 0.11000E+01 volume 0.19625E-02 ppm1 4.687 ppm2 2.959 CV 1 ASSI { 890} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HB1 )) 2.700 0.900 0.900 peak 890 spectrum 1 weight 0.11000E+01 volume 0.22655E-02 ppm1 4.689 ppm2 3.242 CV 1 ASSI { 891} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HB2 )) 4.400 2.500 1.600 peak 891 spectrum 1 weight 0.11000E+01 volume 0.70420E-03 ppm1 4.685 ppm2 3.045 CV 1 ASSI { 892} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 143 and name HA )) 3.300 1.300 1.300 peak 892 spectrum 1 weight 0.11000E+01 volume 0.10998E-02 ppm1 2.941 ppm2 4.420 CV 1 ASSI { 893} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HA )) 3.300 1.300 1.300 peak 893 spectrum 1 weight 0.11000E+01 volume 0.62833E-03 ppm1 2.729 ppm2 4.687 CV 1 ASSI { 894} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 147 and name HD1 )) 5.100 5.100 0.900 peak 894 spectrum 1 weight 0.11000E+01 volume 0.79465E-03 ppm1 2.720 ppm2 3.219 CV 1 ASSI { 895} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB1 )) 2.500 0.800 0.800 peak 895 spectrum 1 weight 0.11000E+01 volume 0.86069E-02 ppm1 4.000 ppm2 1.919 CV 1 ASSI { 896} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HD1 )) 3.200 1.300 1.300 peak 896 spectrum 1 weight 0.11000E+01 volume 0.15697E-02 ppm1 4.000 ppm2 3.216 CV 1 ASSI { 897} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HG1 )) 3.600 1.600 1.600 peak 897 spectrum 1 weight 0.11000E+01 volume 0.26681E-02 ppm1 4.003 ppm2 1.750 CV 1 ASSI { 898} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HG2 )) 2.800 1.000 1.000 peak 898 spectrum 1 weight 0.11000E+01 volume 0.15947E-02 ppm1 3.996 ppm2 1.548 CV 1 ASSI { 899} (( segid " " and resid 147 and name HA )) (( segid " " and resid 148 and name HA )) 4.100 2.100 1.900 peak 899 spectrum 1 weight 0.11000E+01 volume 0.66114E-03 ppm1 3.997 ppm2 3.850 CV 1 ASSI { 900} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB1 )) 2.100 0.500 0.500 peak 900 spectrum 1 weight 0.11000E+01 volume 0.76126E-02 ppm1 4.001 ppm2 1.939 CV 1 ASSI { 901} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HD1 )) 3.800 1.800 1.800 peak 901 spectrum 1 weight 0.11000E+01 volume 0.16132E-02 ppm1 3.998 ppm2 3.250 CV 1 ASSI { 902} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HG2 )) 2.700 2.700 3.300 peak 902 spectrum 1 weight 0.11000E+01 volume 0.13210E-02 ppm1 4.005 ppm2 1.680 CV 1 ASSI { 903} (( segid " " and resid 147 and name HA )) (( segid " " and resid 151 and name HB1 )) 3.200 3.200 2.800 peak 903 spectrum 1 weight 0.11000E+01 volume 0.50509E-02 ppm1 4.001 ppm2 1.974 CV 1 ASSI { 906} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 147 and name HG1 )) 2.400 0.700 0.700 peak 906 spectrum 1 weight 0.11000E+01 volume 0.56182E-02 ppm1 1.921 ppm2 1.737 CV 1 ASSI { 907} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 147 and name HG2 )) 2.800 1.000 1.000 peak 907 spectrum 1 weight 0.11000E+01 volume 0.50312E-02 ppm1 1.917 ppm2 1.536 CV 1 ASSI { 908} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 148 and name HB1 )) 4.600 4.600 1.400 peak 908 spectrum 1 weight 0.11000E+01 volume 0.85715E-03 ppm1 1.926 ppm2 2.811 CV 1 ASSI { 910} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 150 and name HG2 )) 4.300 2.300 1.700 peak 910 spectrum 1 weight 0.11000E+01 volume 0.78987E-03 ppm1 1.920 ppm2 1.653 CV 1 ASSI { 911} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 151 and name HG1 )) 3.600 1.700 1.700 peak 911 spectrum 1 weight 0.11000E+01 volume 0.47929E-02 ppm1 1.925 ppm2 2.197 CV 1 ASSI { 912} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 151 and name HG2 )) 4.000 2.000 2.000 peak 912 spectrum 1 weight 0.11000E+01 volume 0.11693E-02 ppm1 1.921 ppm2 2.413 CV 1 ASSI { 915} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 147 and name HB1 )) 2.400 0.700 0.700 peak 915 spectrum 1 weight 0.11000E+01 volume 0.65097E-02 ppm1 3.234 ppm2 1.921 CV 1 ASSI { 916} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 147 and name HG1 )) 2.600 0.900 0.900 peak 916 spectrum 1 weight 0.11000E+01 volume 0.56954E-02 ppm1 3.205 ppm2 1.728 CV 1 ASSI { 918} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 147 and name HG1 )) 2.900 1.100 1.100 peak 918 spectrum 1 weight 0.11000E+01 volume 0.14635E-02 ppm1 3.173 ppm2 1.754 CV 1 ASSI { 919} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 148 and name HB1 )) 4.500 4.500 1.500 peak 919 spectrum 1 weight 0.11000E+01 volume 0.59384E-03 ppm1 3.190 ppm2 2.806 CV 1 ASSI { 922} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 147 and name HG2 )) 1.800 0.400 0.400 peak 922 spectrum 1 weight 0.11000E+01 volume 0.88556E-02 ppm1 1.732 ppm2 1.525 CV 1 ASSI { 923} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 151 and name HA )) 4.400 2.500 1.600 peak 923 spectrum 1 weight 0.11000E+01 volume 0.18866E-02 ppm1 1.719 ppm2 4.105 CV 1 ASSI { 925} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HD1 )) 2.400 0.700 0.700 peak 925 spectrum 1 weight 0.11000E+01 volume 0.38861E-02 ppm1 1.540 ppm2 3.211 CV 1 ASSI { 927} (( segid " " and resid 148 and name HA )) (( segid " " and resid 147 and name HD1 )) 4.500 2.500 1.500 peak 927 spectrum 1 weight 0.11000E+01 volume 0.15935E-03 ppm1 3.817 ppm2 3.218 CV 1 ASSI { 928} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB1 )) 3.600 3.600 2.400 peak 928 spectrum 1 weight 0.11000E+01 volume 0.54636E-03 ppm1 3.841 ppm2 2.810 CV 1 ASSI { 929} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB2 )) 3.000 1.100 1.100 peak 929 spectrum 1 weight 0.11000E+01 volume 0.20953E-02 ppm1 3.850 ppm2 2.599 CV 1 ASSI { 930} (( segid " " and resid 148 and name HA )) ( segid " " and resid 148 and name HD% ) 2.900 2.900 3.100 peak 930 spectrum 1 weight 0.11000E+01 volume 0.15382E-02 ppm1 3.852 ppm2 6.842 CV 1 ASSI { 931} (( segid " " and resid 148 and name HA )) (( segid " " and resid 150 and name HB1 )) 4.700 2.800 1.300 peak 931 spectrum 1 weight 0.11000E+01 volume 0.41562E-03 ppm1 3.818 ppm2 1.958 CV 1 ASSI { 932} (( segid " " and resid 148 and name HA )) (( segid " " and resid 150 and name HG1 )) 4.100 2.100 1.900 peak 932 spectrum 1 weight 0.11000E+01 volume 0.15243E-02 ppm1 3.870 ppm2 1.921 CV 1 ASSI { 933} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HB1 )) 4.300 2.300 1.700 peak 933 spectrum 1 weight 0.11000E+01 volume 0.11066E-02 ppm1 3.851 ppm2 1.972 CV 1 ASSI { 934} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HG1 )) 3.500 1.500 1.500 peak 934 spectrum 1 weight 0.11000E+01 volume 0.65619E-03 ppm1 3.856 ppm2 2.172 CV 1 ASSI { 935} (( segid " " and resid 148 and name HA )) ( segid " " and resid 204 and name HD1%) 4.000 2.000 2.000 peak 935 spectrum 1 weight 0.11000E+01 volume 0.69610E-03 ppm1 3.863 ppm2 0.611 CV 1 ASSI { 937} (( segid " " and resid 148 and name HB1 )) ( segid " " and resid 148 and name HD% ) 3.700 1.700 1.700 peak 937 spectrum 1 weight 0.11000E+01 volume 0.76711E-03 ppm1 2.742 ppm2 6.858 CV 1 ASSI { 938} (( segid " " and resid 148 and name HB1 )) ( segid " " and resid 148 and name HE% ) 4.500 4.500 1.500 peak 938 spectrum 1 weight 0.11000E+01 volume 0.73993E-03 ppm1 2.800 ppm2 6.879 CV 1 ASSI { 941} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HB1 )) 2.700 0.900 0.900 peak 941 spectrum 1 weight 0.11000E+01 volume 0.98309E-03 ppm1 2.559 ppm2 2.748 CV 1 ASSI { 942} (( segid " " and resid 148 and name HB2 )) ( segid " " and resid 148 and name HD% ) 3.400 1.500 1.500 peak 942 spectrum 1 weight 0.11000E+01 volume 0.71839E-03 ppm1 2.589 ppm2 6.859 CV 1 ASSI { 943} (( segid " " and resid 148 and name HB2 )) ( segid " " and resid 204 and name HD1%) 5.200 3.300 0.800 peak 943 spectrum 1 weight 0.11000E+01 volume 0.21403E-03 ppm1 2.578 ppm2 0.632 CV 1 ASSI { 946} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB1 )) 2.700 2.700 3.300 peak 946 spectrum 1 weight 0.11000E+01 volume 0.31906E-02 ppm1 4.224 ppm2 3.221 CV 1 ASSI { 948} (( segid " " and resid 149 and name HA )) (( segid " " and resid 204 and name HB )) 2.600 0.900 0.900 peak 948 spectrum 1 weight 0.11000E+01 volume 0.14077E-02 ppm1 4.218 ppm2 1.923 CV 1 ASSI { 949} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HA )) 2.600 0.900 0.900 peak 949 spectrum 1 weight 0.11000E+01 volume 0.87774E-03 ppm1 3.050 ppm2 4.216 CV 1 ASSI { 950} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HB1 )) 2.100 0.500 0.500 peak 950 spectrum 1 weight 0.11000E+01 volume 0.28739E-02 ppm1 3.050 ppm2 3.229 CV 1 ASSI { 951} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 204 and name HB )) 3.500 1.500 1.500 peak 951 spectrum 1 weight 0.11000E+01 volume 0.31933E-03 ppm1 3.044 ppm2 1.915 CV 1 ASSI { 954} (( segid " " and resid 150 and name HA )) (( segid " " and resid 147 and name HD1 )) 4.300 4.300 1.700 peak 954 spectrum 1 weight 0.11000E+01 volume 0.11853E-02 ppm1 3.681 ppm2 3.203 CV 1 ASSI { 956} (( segid " " and resid 150 and name HA )) ( segid " " and resid 149 and name HE% ) 2.900 2.900 3.100 peak 956 spectrum 1 weight 0.11000E+01 volume 0.26497E-02 ppm1 3.680 ppm2 7.009 CV 1 ASSI { 958} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB1 )) 2.600 0.800 0.800 peak 958 spectrum 1 weight 0.11000E+01 volume 0.60154E-02 ppm1 3.681 ppm2 1.939 CV 1 ASSI { 959} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB2 )) 2.900 1.100 1.100 peak 959 spectrum 1 weight 0.11000E+01 volume 0.14204E-02 ppm1 3.683 ppm2 2.183 CV 1 ASSI { 960} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HD1 )) 4.700 2.800 1.300 peak 960 spectrum 1 weight 0.11000E+01 volume 0.12722E-02 ppm1 3.682 ppm2 3.237 CV 1 ASSI { 962} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HG2 )) 3.100 1.200 1.200 peak 962 spectrum 1 weight 0.11000E+01 volume 0.52883E-02 ppm1 3.680 ppm2 1.664 CV 1 ASSI { 963} (( segid " " and resid 150 and name HA )) (( segid " " and resid 151 and name HA )) 3.800 1.800 1.800 peak 963 spectrum 1 weight 0.11000E+01 volume 0.84852E-03 ppm1 3.668 ppm2 4.103 CV 1 ASSI { 964} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HB1 )) 2.600 0.900 0.900 peak 964 spectrum 1 weight 0.11000E+01 volume 0.43308E-02 ppm1 3.681 ppm2 1.709 CV 1 ASSI { 965} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HB2 )) 2.600 2.600 3.400 peak 965 spectrum 1 weight 0.11000E+01 volume 0.62621E-02 ppm1 3.678 ppm2 1.888 CV 1 ASSI { 966} (( segid " " and resid 150 and name HA )) ( segid " " and resid 153 and name HE% ) 2.800 1.000 1.000 peak 966 spectrum 1 weight 0.11000E+01 volume 0.39716E-02 ppm1 3.681 ppm2 1.831 CV 1 ASSI { 967} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HG2 )) 4.300 2.300 1.700 peak 967 spectrum 1 weight 0.11000E+01 volume 0.90608E-03 ppm1 3.681 ppm2 2.133 CV 1 ASSI { 971} (( segid " " and resid 150 and name HD1 )) (( segid " " and resid 150 and name HG1 )) 2.300 0.700 0.700 peak 971 spectrum 1 weight 0.11000E+01 volume 0.62108E-02 ppm1 3.286 ppm2 1.931 CV 1 ASSI { 972} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 150 and name HA )) 3.400 1.400 1.400 peak 972 spectrum 1 weight 0.11000E+01 volume 0.14997E-02 ppm1 1.916 ppm2 3.678 CV 1 ASSI { 974} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HD1 )) 2.600 0.800 0.800 peak 974 spectrum 1 weight 0.11000E+01 volume 0.25380E-02 ppm1 1.674 ppm2 3.274 CV 1 ASSI { 975} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HG1 )) 1.800 0.400 0.400 peak 975 spectrum 1 weight 0.11000E+01 volume 0.90788E-02 ppm1 1.671 ppm2 1.918 CV 1 ASSI { 976} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 151 and name HB1 )) 2.500 0.800 0.800 peak 976 spectrum 1 weight 0.11000E+01 volume 0.58156E-02 ppm1 1.670 ppm2 1.974 CV 1 ASSI { 977} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB1 )) 2.300 0.700 0.700 peak 977 spectrum 1 weight 0.11000E+01 volume 0.85308E-02 ppm1 4.056 ppm2 1.977 CV 1 ASSI { 978} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB2 )) 3.000 1.100 1.100 peak 978 spectrum 1 weight 0.11000E+01 volume 0.21507E-02 ppm1 4.055 ppm2 2.247 CV 1 ASSI { 979} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HG1 )) 3.200 1.300 1.300 peak 979 spectrum 1 weight 0.11000E+01 volume 0.27915E-02 ppm1 4.058 ppm2 2.197 CV 1 ASSI { 980} (( segid " " and resid 151 and name HA )) (( segid " " and resid 155 and name HD1 )) 4.000 2.000 2.000 peak 980 spectrum 1 weight 0.11000E+01 volume 0.81311E-03 ppm1 4.060 ppm2 3.090 CV 1 ASSI { 981} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 147 and name HD1 )) 3.400 1.400 1.400 peak 981 spectrum 1 weight 0.11000E+01 volume 0.10724E-02 ppm1 1.976 ppm2 3.233 CV 1 ASSI { 983} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 151 and name HG2 )) 3.000 1.100 1.100 peak 983 spectrum 1 weight 0.11000E+01 volume 0.84984E-03 ppm1 2.001 ppm2 2.407 CV 1 ASSI { 984} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 149 and name HN )) 4.400 2.500 1.600 peak 984 spectrum 1 weight 0.11000E+01 volume 0.37531E-03 ppm1 2.180 ppm2 8.833 CV 1 ASSI { 987} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HB1 )) 2.500 0.800 0.800 peak 987 spectrum 1 weight 0.11000E+01 volume 0.10534E-01 ppm1 2.196 ppm2 1.984 CV 1 ASSI { 988} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HG2 )) 1.700 0.300 0.500 peak 988 spectrum 1 weight 0.11000E+01 volume 0.13354E-01 ppm1 2.197 ppm2 2.424 CV 1 ASSI { 989} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 152 and name HB1 )) 2.000 2.000 4.000 peak 989 spectrum 1 weight 0.11000E+01 volume 0.28687E-01 ppm1 2.189 ppm2 2.330 CV 1 ASSI { 990} (( segid " " and resid 151 and name HG1 )) ( segid " " and resid 153 and name HE% ) 3.800 3.800 2.200 peak 990 spectrum 1 weight 0.11000E+01 volume 0.17408E-02 ppm1 2.192 ppm2 1.832 CV 1 ASSI { 991} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 147 and name HG1 )) 4.000 4.000 2.000 peak 991 spectrum 1 weight 0.11000E+01 volume 0.19597E-02 ppm1 2.422 ppm2 1.724 CV 1 ASSI { 993} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 154 and name HB2 )) 4.700 2.800 1.300 peak 993 spectrum 1 weight 0.11000E+01 volume 0.57977E-03 ppm1 2.408 ppm2 2.938 CV 1 ASSI { 994} (( segid " " and resid 152 and name HA )) ( segid " " and resid 149 and name HD% ) 4.700 4.700 1.300 peak 994 spectrum 1 weight 0.11000E+01 volume 0.12001E-02 ppm1 4.586 ppm2 6.952 CV 1 ASSI { 995} (( segid " " and resid 152 and name HA )) (( segid " " and resid 151 and name HB1 )) 3.500 3.500 2.500 peak 995 spectrum 1 weight 0.11000E+01 volume 0.30892E-02 ppm1 4.572 ppm2 1.978 CV 1 ASSI { 996} (( segid " " and resid 152 and name HA )) (( segid " " and resid 151 and name HG1 )) 3.100 3.100 2.900 peak 996 spectrum 1 weight 0.11000E+01 volume 0.13222E-02 ppm1 4.588 ppm2 2.201 CV 1 ASSI { 997} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB1 )) 2.700 0.900 0.900 peak 997 spectrum 1 weight 0.11000E+01 volume 0.22501E-02 ppm1 4.593 ppm2 2.311 CV 1 ASSI { 998} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB2 )) 2.300 0.700 0.700 peak 998 spectrum 1 weight 0.11000E+01 volume 0.21415E-02 ppm1 4.594 ppm2 2.283 CV 1 ASSI { 999} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HB2 )) 4.000 2.000 2.000 peak 999 spectrum 1 weight 0.11000E+01 volume 0.99105E-03 ppm1 4.584 ppm2 1.886 CV 1 ASSI { 1000} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HB1 )) 5.000 3.100 1.000 peak 1000 spectrum 1 weight 0.11000E+01 volume 0.48837E-03 ppm1 4.591 ppm2 1.805 CV 1 ASSI { 1001} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HB2 )) 4.800 2.900 1.200 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.59303E-03 ppm1 4.591 ppm2 1.931 CV 1 ASSI { 1004} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 152 and name HB2 )) 2.100 0.500 0.500 peak 1004 spectrum 1 weight 0.11000E+01 volume 0.19955E-02 ppm1 2.353 ppm2 2.282 CV 1 ASSI { 1007} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 155 and name HB2 )) 5.200 5.200 0.800 peak 1007 spectrum 1 weight 0.11000E+01 volume 0.41414E-03 ppm1 2.257 ppm2 1.964 CV 1 ASSI { 1008} (( segid " " and resid 152 and name HB2 )) ( segid " " and resid 204 and name HG2%) 5.300 5.300 0.700 peak 1008 spectrum 1 weight 0.11000E+01 volume 0.37744E-03 ppm1 2.252 ppm2 0.753 CV 1 ASSI { 1009} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB2 )) 2.300 0.700 0.700 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.67139E-02 ppm1 3.680 ppm2 1.903 CV 1 ASSI { 1010} (( segid " " and resid 153 and name HA )) (( segid " " and resid 156 and name HB1 )) 3.700 1.700 1.700 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.11853E-02 ppm1 3.679 ppm2 3.215 CV 1 ASSI { 1011} (( segid " " and resid 153 and name HA )) (( segid " " and resid 156 and name HB2 )) 3.200 1.300 1.300 peak 1011 spectrum 1 weight 0.11000E+01 volume 0.98249E-03 ppm1 3.680 ppm2 3.065 CV 1 ASSI { 1014} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 135 and name HA )) 3.900 3.900 2.100 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.21125E-02 ppm1 1.715 ppm2 4.394 CV 1 ASSI { 1015} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 135 and name HD2 )) 3.500 1.500 1.500 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.10637E-02 ppm1 1.714 ppm2 3.131 CV 1 ASSI { 1016} (( segid " " and resid 153 and name HB1 )) ( segid " " and resid 149 and name HD% ) 4.300 2.400 1.700 peak 1016 spectrum 1 weight 0.11000E+01 volume 0.65465E-03 ppm1 1.707 ppm2 6.955 CV 1 ASSI { 1017} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 151 and name HG2 )) 3.800 3.800 2.200 peak 1017 spectrum 1 weight 0.11000E+01 volume 0.25100E-02 ppm1 1.724 ppm2 2.377 CV 1 ASSI { 1018} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HA )) 3.800 1.800 1.800 peak 1018 spectrum 1 weight 0.11000E+01 volume 0.73867E-03 ppm1 1.713 ppm2 3.670 CV 1 ASSI { 1019} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 155 and name HG1 )) 4.100 4.100 1.900 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.18920E-02 ppm1 1.711 ppm2 1.293 CV 1 ASSI { 1020} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 156 and name HN )) 5.000 3.100 1.000 peak 1020 spectrum 1 weight 0.11000E+01 volume 0.35289E-03 ppm1 1.692 ppm2 7.341 CV 1 ASSI { 1021} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 135 and name HA )) 3.600 1.600 1.600 peak 1021 spectrum 1 weight 0.11000E+01 volume 0.16272E-02 ppm1 1.894 ppm2 4.410 CV 1 ASSI { 1023} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 135 and name HA )) 4.000 4.000 2.000 peak 1023 spectrum 1 weight 0.11000E+01 volume 0.16292E-02 ppm1 1.827 ppm2 4.360 CV 1 ASSI { 1024} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 137 and name HD2%) 1.600 1.600 4.400 peak 1024 spectrum 1 weight 0.11000E+01 volume 0.78951E-02 ppm1 1.828 ppm2 0.878 CV 1 ASSI { 1025} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 150 and name HD2 )) 1.900 1.900 4.100 peak 1025 spectrum 1 weight 0.11000E+01 volume 0.28610E-02 ppm1 1.827 ppm2 3.219 CV 1 ASSI { 1026} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 150 and name HG2 )) 1.300 1.300 4.700 peak 1026 spectrum 1 weight 0.11000E+01 volume 0.22815E-01 ppm1 1.827 ppm2 1.665 CV 1 ASSI { 1028} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 152 and name HA )) 3.800 1.800 1.800 peak 1028 spectrum 1 weight 0.11000E+01 volume 0.16221E-02 ppm1 1.829 ppm2 4.570 CV 1 ASSI { 1029} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 153 and name HA )) 3.000 1.100 1.100 peak 1029 spectrum 1 weight 0.11000E+01 volume 0.95923E-02 ppm1 1.828 ppm2 3.676 CV 1 ASSI { 1030} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 154 and name HE% ) 3.200 3.200 2.800 peak 1030 spectrum 1 weight 0.11000E+01 volume 0.43845E-02 ppm1 1.828 ppm2 6.943 CV 1 ASSI { 1032} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 156 and name HB2 )) 3.400 3.400 2.600 peak 1032 spectrum 1 weight 0.11000E+01 volume 0.29764E-02 ppm1 1.829 ppm2 3.040 CV 1 ASSI { 1033} (( segid " " and resid 153 and name HG1 )) (( segid " " and resid 153 and name HG2 )) 2.000 0.500 0.500 peak 1033 spectrum 1 weight 0.11000E+01 volume 0.67298E-02 ppm1 2.573 ppm2 2.134 CV 1 ASSI { 1035} (( segid " " and resid 154 and name HA )) ( segid " " and resid 153 and name HE% ) 4.100 2.100 1.900 peak 1035 spectrum 1 weight 0.11000E+01 volume 0.65309E-03 ppm1 4.233 ppm2 1.840 CV 1 ASSI { 1036} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HB1 )) 3.000 1.100 1.100 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.29058E-02 ppm1 4.238 ppm2 3.017 CV 1 ASSI { 1037} (( segid " " and resid 154 and name HA )) ( segid " " and resid 154 and name HD% ) 3.600 1.600 1.600 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.10167E-02 ppm1 4.234 ppm2 7.075 CV 1 ASSI { 1039} (( segid " " and resid 154 and name HB1 )) ( segid " " and resid 154 and name HD% ) 3.400 1.400 1.400 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.11505E-02 ppm1 3.046 ppm2 7.098 CV 1 ASSI { 1040} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HA )) 3.500 1.500 1.500 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.92599E-03 ppm1 2.963 ppm2 4.244 CV 1 ASSI { 1041} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 154 and name HD% ) 3.500 1.600 1.600 peak 1041 spectrum 1 weight 0.11000E+01 volume 0.76107E-03 ppm1 2.957 ppm2 7.088 CV 1 ASSI { 1043} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HD1 )) 4.700 2.700 1.300 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.87441E-03 ppm1 4.028 ppm2 3.099 CV 1 ASSI { 1044} (( segid " " and resid 155 and name HA )) (( segid " " and resid 157 and name HA )) 3.900 3.900 2.100 peak 1044 spectrum 1 weight 0.11000E+01 volume 0.59719E-03 ppm1 4.010 ppm2 4.404 CV 1 ASSI { 1045} (( segid " " and resid 155 and name HA )) (( segid " " and resid 190 and name HA )) 3.500 3.500 2.500 peak 1045 spectrum 1 weight 0.11000E+01 volume 0.16670E-02 ppm1 4.024 ppm2 4.176 CV 1 ASSI { 1047} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HA )) 2.600 2.600 3.400 peak 1047 spectrum 1 weight 0.11000E+01 volume 0.39682E-02 ppm1 1.832 ppm2 4.103 CV 1 ASSI { 1048} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HD2 )) 3.300 1.400 1.400 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.11642E-02 ppm1 1.819 ppm2 3.218 CV 1 ASSI { 1049} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HG2 )) 3.100 3.100 2.900 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.80002E-03 ppm1 1.827 ppm2 1.503 CV 1 ASSI { 1050} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 195 and name HG1 )) 4.400 2.500 1.600 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.22148E-03 ppm1 1.836 ppm2 2.075 CV 1 ASSI { 1051} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 151 and name HA )) 3.400 3.400 2.600 peak 1051 spectrum 1 weight 0.11000E+01 volume 0.50626E-02 ppm1 1.927 ppm2 4.102 CV 1 ASSI { 1052} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HD2 )) 3.300 1.400 1.400 peak 1052 spectrum 1 weight 0.11000E+01 volume 0.15535E-02 ppm1 1.932 ppm2 3.214 CV 1 ASSI { 1054} (( segid " " and resid 155 and name HD1 )) (( segid " " and resid 152 and name HA )) 4.100 2.100 1.900 peak 1054 spectrum 1 weight 0.11000E+01 volume 0.40125E-03 ppm1 3.067 ppm2 4.591 CV 1 ASSI { 1055} (( segid " " and resid 155 and name HD1 )) (( segid " " and resid 152 and name HB2 )) 4.400 2.500 1.600 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.58241E-03 ppm1 3.056 ppm2 2.267 CV 1 ASSI { 1056} (( segid " " and resid 155 and name HD1 )) (( segid " " and resid 155 and name HG1 )) 3.000 1.100 1.100 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.13429E-02 ppm1 3.075 ppm2 1.273 CV 1 ASSI { 1058} (( segid " " and resid 155 and name HD1 )) ( segid " " and resid 204 and name HD1%) 4.000 2.000 2.000 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.10729E-02 ppm1 3.082 ppm2 0.682 CV 1 ASSI { 1059} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 151 and name HG2 )) 5.200 3.300 0.800 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.27034E-03 ppm1 3.217 ppm2 2.402 CV 1 ASSI { 1060} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 155 and name HE )) 3.600 1.600 1.600 peak 1060 spectrum 1 weight 0.11000E+01 volume 0.45301E-03 ppm1 3.198 ppm2 6.909 CV 1 ASSI { 1061} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 155 and name HG1 )) 2.700 0.900 0.900 peak 1061 spectrum 1 weight 0.11000E+01 volume 0.17856E-02 ppm1 3.202 ppm2 1.273 CV 1 ASSI { 1062} (( segid " " and resid 155 and name HD2 )) ( segid " " and resid 204 and name HD1%) 3.700 1.700 1.700 peak 1062 spectrum 1 weight 0.11000E+01 volume 0.11535E-02 ppm1 3.202 ppm2 0.678 CV 1 ASSI { 1064} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 151 and name HG2 )) 4.900 3.000 1.100 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.67588E-03 ppm1 1.289 ppm2 2.384 CV 1 ASSI { 1066} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 155 and name HG2 )) 1.900 0.500 0.500 peak 1066 spectrum 1 weight 0.11000E+01 volume 0.33080E-02 ppm1 1.306 ppm2 1.559 CV 1 ASSI { 1067} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 156 and name HA )) 4.400 2.400 1.600 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.50788E-03 ppm1 1.283 ppm2 4.992 CV 1 ASSI { 1068} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 157 and name HA )) 4.400 4.400 1.600 peak 1068 spectrum 1 weight 0.11000E+01 volume 0.55580E-03 ppm1 1.313 ppm2 4.375 CV 1 ASSI { 1069} (( segid " " and resid 155 and name HG1 )) ( segid " " and resid 190 and name HG2%) 3.700 1.700 1.700 peak 1069 spectrum 1 weight 0.11000E+01 volume 0.10500E-02 ppm1 1.312 ppm2 0.907 CV 1 ASSI { 1070} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 201 and name HB1 )) 3.500 3.500 2.500 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.73011E-03 ppm1 1.304 ppm2 3.399 CV 1 ASSI { 1071} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 151 and name HG2 )) 4.500 2.500 1.500 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.62918E-03 ppm1 1.579 ppm2 2.384 CV 1 ASSI { 1072} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 155 and name HD1 )) 2.700 2.700 3.300 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.17428E-02 ppm1 1.583 ppm2 3.139 CV 1 ASSI { 1075} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 157 and name HA )) 4.500 4.500 1.500 peak 1075 spectrum 1 weight 0.11000E+01 volume 0.41021E-03 ppm1 1.572 ppm2 4.404 CV 1 ASSI { 1076} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 195 and name HG2 )) 5.200 3.400 0.800 peak 1076 spectrum 1 weight 0.11000E+01 volume 0.22697E-03 ppm1 1.567 ppm2 1.958 CV 1 ASSI { 1080} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HB2 )) 3.100 1.200 1.200 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.20616E-02 ppm1 5.000 ppm2 3.040 CV 1 ASSI { 1081} (( segid " " and resid 156 and name HA )) ( segid " " and resid 156 and name HD% ) 3.100 1.200 1.200 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.14569E-02 ppm1 4.993 ppm2 7.029 CV 1 ASSI { 1082} (( segid " " and resid 156 and name HA )) (( segid " " and resid 155 and name HG2 )) 5.100 3.300 0.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.42181E-03 ppm1 4.986 ppm2 1.542 CV 1 ASSI { 1083} (( segid " " and resid 156 and name HA )) (( segid " " and resid 205 and name HA )) 5.600 4.000 0.400 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.30983E-03 ppm1 4.999 ppm2 3.427 CV 1 ASSI { 1084} (( segid " " and resid 156 and name HA )) (( segid " " and resid 205 and name HG2 )) 5.800 4.200 0.200 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.37121E-03 ppm1 4.999 ppm2 1.991 CV 1 ASSI { 1085} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 156 and name HA )) 3.900 1.900 1.900 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.25027E-03 ppm1 3.207 ppm2 4.996 CV 1 ASSI { 1087} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 205 and name HG1 )) 3.400 1.500 1.500 peak 1087 spectrum 1 weight 0.11000E+01 volume 0.31957E-03 ppm1 3.220 ppm2 2.062 CV 1 ASSI { 1088} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 155 and name HB2 )) 4.900 3.100 1.100 peak 1088 spectrum 1 weight 0.11000E+01 volume 0.37382E-03 ppm1 3.022 ppm2 1.959 CV 1 ASSI { 1091} (( segid " " and resid 156 and name HB2 )) ( segid " " and resid 208 and name HG2%) 4.800 2.800 1.200 peak 1091 spectrum 1 weight 0.11000E+01 volume 0.25297E-03 ppm1 3.025 ppm2 1.012 CV 1 ASSI { 1092} (( segid " " and resid 157 and name HA )) (( segid " " and resid 153 and name HB1 )) 3.400 3.400 2.600 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.23635E-02 ppm1 4.384 ppm2 1.711 CV 1 ASSI { 1095} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HB1 )) 2.800 1.000 1.000 peak 1095 spectrum 1 weight 0.11000E+01 volume 0.25095E-02 ppm1 4.410 ppm2 2.313 CV 1 ASSI { 1096} (( segid " " and resid 157 and name HA )) (( segid " " and resid 159 and name HG1 )) 3.800 1.800 1.800 peak 1096 spectrum 1 weight 0.11000E+01 volume 0.37446E-02 ppm1 4.388 ppm2 2.381 CV 1 OR { 1096} (( segid " " and resid 157 and name HA )) (( segid " " and resid 159 and name HG2 )) ASSI { 1097} (( segid " " and resid 157 and name HA )) (( segid " " and resid 186 and name HE1 )) 4.300 2.300 1.700 peak 1097 spectrum 1 weight 0.11000E+01 volume 0.71058E-03 ppm1 4.396 ppm2 7.847 CV 1 ASSI { 1098} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HD2 )) 4.100 2.100 1.900 peak 1098 spectrum 1 weight 0.11000E+01 volume 0.97117E-03 ppm1 2.298 ppm2 3.832 CV 1 ASSI { 1099} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HG1 )) 2.900 1.100 1.100 peak 1099 spectrum 1 weight 0.11000E+01 volume 0.12410E-02 ppm1 2.299 ppm2 1.734 CV 1 ASSI { 1100} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HG2 )) 2.500 0.800 0.800 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.12878E-01 ppm1 2.292 ppm2 2.016 CV 1 ASSI { 1101} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HA )) 2.900 1.100 1.100 peak 1101 spectrum 1 weight 0.11000E+01 volume 0.24131E-02 ppm1 1.890 ppm2 4.414 CV 1 ASSI { 1102} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HD2 )) 3.900 1.900 1.900 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.15370E-02 ppm1 1.893 ppm2 3.795 CV 1 ASSI { 1103} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 182 and name HG1 )) 3.400 3.400 2.600 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.28819E-02 ppm1 1.893 ppm2 1.491 CV 1 ASSI { 1105} (( segid " " and resid 157 and name HB2 )) ( segid " " and resid 209 and name HG2%) 4.600 2.700 1.400 peak 1105 spectrum 1 weight 0.11000E+01 volume 0.44313E-03 ppm1 1.897 ppm2 1.231 CV 1 ASSI { 1106} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 157 and name HA )) 3.300 1.300 1.300 peak 1106 spectrum 1 weight 0.11000E+01 volume 0.19232E-02 ppm1 3.635 ppm2 4.411 CV 1 ASSI { 1107} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 157 and name HB1 )) 3.400 1.400 1.400 peak 1107 spectrum 1 weight 0.11000E+01 volume 0.74389E-03 ppm1 3.639 ppm2 2.286 CV 1 ASSI { 1109} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 157 and name HD2 )) 1.400 0.200 0.800 peak 1109 spectrum 1 weight 0.11000E+01 volume 0.47739E-01 ppm1 3.632 ppm2 3.837 CV 1 ASSI { 1110} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 182 and name HA )) 4.100 2.100 1.900 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.87157E-03 ppm1 3.637 ppm2 4.107 CV 1 ASSI { 1111} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 182 and name HG1 )) 4.400 2.400 1.600 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.94084E-03 ppm1 3.631 ppm2 1.471 CV 1 ASSI { 1112} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 205 and name HA )) 4.300 2.400 1.700 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.12824E-02 ppm1 3.634 ppm2 3.460 CV 1 ASSI { 1113} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 205 and name HB1 )) 3.500 1.500 1.500 peak 1113 spectrum 1 weight 0.11000E+01 volume 0.65974E-02 ppm1 3.636 ppm2 1.976 CV 1 ASSI { 1114} (( segid " " and resid 157 and name HD1 )) ( segid " " and resid 205 and name HE% ) 4.500 2.500 1.500 peak 1114 spectrum 1 weight 0.11000E+01 volume 0.89114E-03 ppm1 3.632 ppm2 1.489 CV 1 ASSI { 1115} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 157 and name HA )) 3.900 1.900 1.900 peak 1115 spectrum 1 weight 0.11000E+01 volume 0.76274E-03 ppm1 3.805 ppm2 4.423 CV 1 ASSI { 1118} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 157 and name HG1 )) 3.500 1.600 1.600 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.96301E-03 ppm1 3.826 ppm2 1.761 CV 1 ASSI { 1119} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 182 and name HA )) 4.000 2.000 2.000 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.11291E-02 ppm1 3.830 ppm2 4.095 CV 1 ASSI { 1120} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 135 and name HG2 )) 3.500 1.500 1.500 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.34762E-02 ppm1 2.048 ppm2 1.805 CV 1 ASSI { 1121} (( segid " " and resid 157 and name HG2 )) (( segid " " and resid 158 and name HB1 )) 3.500 3.500 2.500 peak 1121 spectrum 1 weight 0.11000E+01 volume 0.21173E-02 ppm1 2.044 ppm2 2.407 CV 1 ASSI { 1122} (( segid " " and resid 157 and name HG2 )) (( segid " " and resid 159 and name HA )) 4.900 3.000 1.100 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.21907E-03 ppm1 2.044 ppm2 4.571 CV 1 ASSI { 1123} (( segid " " and resid 157 and name HG2 )) ( segid " " and resid 160 and name HG1%) 4.700 2.800 1.300 peak 1123 spectrum 1 weight 0.11000E+01 volume 0.67659E-03 ppm1 2.053 ppm2 0.931 CV 1 ASSI { 1124} (( segid " " and resid 157 and name HG2 )) ( segid " " and resid 183 and name HG1%) 4.400 2.400 1.600 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.98889E-03 ppm1 2.041 ppm2 1.025 CV 1 ASSI { 1125} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 138 and name HG11)) 3.800 1.800 1.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.62214E-03 ppm1 2.042 ppm2 0.681 CV 1 ASSI { 1126} (( segid " " and resid 157 and name HG2 )) ( segid " " and resid 208 and name HG1%) 3.800 3.800 2.200 peak 1126 spectrum 1 weight 0.11000E+01 volume 0.10412E-02 ppm1 2.061 ppm2 1.121 CV 1 ASSI { 1129} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB1 )) 2.500 0.800 0.800 peak 1129 spectrum 1 weight 0.11000E+01 volume 0.27485E-02 ppm1 4.714 ppm2 2.435 CV 1 ASSI { 1130} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB2 )) 2.900 1.100 1.100 peak 1130 spectrum 1 weight 0.11000E+01 volume 0.21977E-02 ppm1 4.723 ppm2 3.654 CV 1 ASSI { 1131} (( segid " " and resid 158 and name HA )) (( segid " " and resid 159 and name HG1 )) 3.900 1.900 1.900 peak 1131 spectrum 1 weight 0.11000E+01 volume 0.16392E-02 ppm1 4.713 ppm2 2.380 CV 1 OR { 1131} (( segid " " and resid 158 and name HA )) (( segid " " and resid 159 and name HG2 )) ASSI { 1132} (( segid " " and resid 158 and name HA )) ( segid " " and resid 209 and name HG1%) 4.900 3.000 1.100 peak 1132 spectrum 1 weight 0.11000E+01 volume 0.34366E-03 ppm1 4.706 ppm2 0.984 CV 1 ASSI { 1135} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 158 and name HB2 )) 2.200 0.600 0.600 peak 1135 spectrum 1 weight 0.11000E+01 volume 0.25509E-02 ppm1 2.436 ppm2 3.628 CV 1 ASSI { 1136} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 208 and name HB )) 4.500 4.500 1.500 peak 1136 spectrum 1 weight 0.11000E+01 volume 0.51268E-03 ppm1 2.429 ppm2 2.097 CV 1 ASSI { 1144} (( segid " " and resid 159 and name HA )) (( segid " " and resid 157 and name HG1 )) 4.100 2.100 1.900 peak 1144 spectrum 1 weight 0.11000E+01 volume 0.13497E-02 ppm1 4.570 ppm2 1.756 CV 1 ASSI { 1145} (( segid " " and resid 159 and name HA )) (( segid " " and resid 158 and name HA )) 2.900 2.900 3.100 peak 1145 spectrum 1 weight 0.11000E+01 volume 0.36346E-02 ppm1 4.598 ppm2 4.706 CV 1 ASSI { 1146} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB1 )) 2.500 0.800 0.800 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.30189E-02 ppm1 4.580 ppm2 1.983 CV 1 ASSI { 1147} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB2 )) 2.800 1.000 1.000 peak 1147 spectrum 1 weight 0.11000E+01 volume 0.19063E-02 ppm1 4.571 ppm2 2.168 CV 1 ASSI { 1148} (( segid " " and resid 159 and name HA )) (( segid " " and resid 160 and name HA )) 3.900 1.900 1.900 peak 1148 spectrum 1 weight 0.11000E+01 volume 0.53954E-03 ppm1 4.602 ppm2 4.940 CV 1 ASSI { 1149} (( segid " " and resid 137 and name HA )) (( segid " " and resid 135 and name HD2 )) 4.100 2.100 1.900 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.59723E-03 ppm1 4.584 ppm2 3.144 CV 1 ASSI { 1151} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 207 and name HG2 )) 4.100 2.100 1.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.84254E-03 ppm1 1.994 ppm2 1.814 CV 1 ASSI { 1156} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 129 and name HB1 )) 3.500 1.500 1.500 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.19003E-02 ppm1 2.147 ppm2 1.674 CV 1 ASSI { 1157} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 129 and name HG )) 3.900 1.900 1.900 peak 1157 spectrum 1 weight 0.11000E+01 volume 0.39710E-03 ppm1 2.148 ppm2 1.420 CV 1 ASSI { 1160} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 133 and name HG2 )) 4.000 2.000 2.000 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.16968E-02 ppm1 2.149 ppm2 2.445 CV 1 ASSI { 1163} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HG2 )) 2.600 2.600 3.400 peak 1163 spectrum 1 weight 0.11000E+01 volume 0.30455E-02 ppm1 2.151 ppm2 2.383 CV 1 OR { 1163} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HG1 )) ASSI { 1166} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HB2 )) 3.700 1.700 1.700 peak 1166 spectrum 1 weight 0.11000E+01 volume 0.50534E-03 ppm1 4.937 ppm2 2.163 CV 1 ASSI { 1167} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB )) 2.700 0.900 0.900 peak 1167 spectrum 1 weight 0.11000E+01 volume 0.21264E-02 ppm1 4.934 ppm2 2.606 CV 1 ASSI { 1168} (( segid " " and resid 160 and name HA )) ( segid " " and resid 160 and name HG1%) 2.500 0.800 0.800 peak 1168 spectrum 1 weight 0.11000E+01 volume 0.22971E-02 ppm1 4.934 ppm2 0.944 CV 1 ASSI { 1170} (( segid " " and resid 160 and name HA )) (( segid " " and resid 161 and name HA )) 4.300 2.300 1.700 peak 1170 spectrum 1 weight 0.11000E+01 volume 0.40412E-03 ppm1 4.946 ppm2 5.561 CV 1 ASSI { 1171} (( segid " " and resid 160 and name HA )) (( segid " " and resid 182 and name HG1 )) 1.900 0.400 0.400 peak 1171 spectrum 1 weight 0.11000E+01 volume 0.25699E-02 ppm1 4.931 ppm2 1.482 CV 1 ASSI { 1172} (( segid " " and resid 160 and name HA )) ( segid " " and resid 209 and name HG2%) 3.800 1.800 1.800 peak 1172 spectrum 1 weight 0.11000E+01 volume 0.50322E-03 ppm1 4.959 ppm2 1.235 CV 1 ASSI { 1173} (( segid " " and resid 160 and name HA )) (( segid " " and resid 182 and name HA )) 6.000 4.700 0.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.14237E-03 ppm1 4.937 ppm2 4.120 CV 1 ASSI { 1174} (( segid " " and resid 160 and name HB )) (( segid " " and resid 159 and name HB2 )) 4.100 2.100 1.900 peak 1174 spectrum 1 weight 0.11000E+01 volume 0.10358E-02 ppm1 2.601 ppm2 2.161 CV 1 ASSI { 1179} (( segid " " and resid 160 and name HB )) (( segid " " and resid 179 and name HB )) 4.300 2.300 1.700 peak 1179 spectrum 1 weight 0.11000E+01 volume 0.86371E-03 ppm1 2.601 ppm2 2.124 CV 1 ASSI { 1180} (( segid " " and resid 160 and name HB )) (( segid " " and resid 181 and name HG11)) 4.100 2.100 1.900 peak 1180 spectrum 1 weight 0.11000E+01 volume 0.90875E-03 ppm1 2.611 ppm2 0.856 CV 1 ASSI { 1183} ( segid " " and resid 160 and name HG1%) ( segid " " and resid 133 and name HE% ) 3.400 1.400 1.400 peak 1183 spectrum 1 weight 0.11000E+01 volume 0.29278E-02 ppm1 0.939 ppm2 1.898 CV 1 ASSI { 1184} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 133 and name HG1 )) 4.000 2.000 2.000 peak 1184 spectrum 1 weight 0.11000E+01 volume 0.16347E-02 ppm1 0.933 ppm2 2.538 CV 1 ASSI { 1185} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 159 and name HA )) 3.700 1.700 1.700 peak 1185 spectrum 1 weight 0.11000E+01 volume 0.10395E-02 ppm1 0.940 ppm2 4.555 CV 1 ASSI { 1187} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 160 and name HB )) 2.500 0.800 0.800 peak 1187 spectrum 1 weight 0.11000E+01 volume 0.35363E-02 ppm1 0.939 ppm2 2.607 CV 1 ASSI { 1189} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 181 and name HG11)) 3.000 3.000 3.000 peak 1189 spectrum 1 weight 0.11000E+01 volume 0.73831E-02 ppm1 0.938 ppm2 0.836 CV 1 ASSI { 1190} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 181 and name HG12)) 2.600 2.600 3.400 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.19236E-01 ppm1 0.938 ppm2 1.015 CV 1 ASSI { 1191} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 182 and name HB )) 3.200 1.300 1.300 peak 1191 spectrum 1 weight 0.11000E+01 volume 0.78171E-03 ppm1 0.935 ppm2 4.503 CV 1 ASSI { 1193} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 183 and name HA )) 4.400 2.500 1.600 peak 1193 spectrum 1 weight 0.11000E+01 volume 0.13377E-02 ppm1 0.938 ppm2 3.602 CV 1 ASSI { 1194} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 183 and name HB )) 4.400 4.400 1.600 peak 1194 spectrum 1 weight 0.11000E+01 volume 0.16784E-02 ppm1 0.938 ppm2 2.281 CV 1 ASSI { 1195} ( segid " " and resid 160 and name HG1%) ( segid " " and resid 183 and name HG1%) 3.400 1.500 1.500 peak 1195 spectrum 1 weight 0.11000E+01 volume 0.60275E-02 ppm1 0.938 ppm2 1.051 CV 1 ASSI { 1196} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 209 and name HA )) 3.300 1.400 1.400 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.15330E-02 ppm1 0.937 ppm2 3.659 CV 1 ASSI { 1197} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 209 and name HB )) 3.400 1.500 1.500 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.40911E-02 ppm1 0.939 ppm2 2.171 CV 1 ASSI { 1198} ( segid " " and resid 160 and name HG1%) ( segid " " and resid 209 and name HG2%) 2.500 0.800 0.800 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.28327E-02 ppm1 0.937 ppm2 1.217 CV 1 ASSI { 1199} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 212 and name HA )) 4.500 4.500 1.500 peak 1199 spectrum 1 weight 0.11000E+01 volume 0.55804E-03 ppm1 0.948 ppm2 4.118 CV 1 ASSI { 1200} ( segid " " and resid 160 and name HG1%) ( segid " " and resid 212 and name HE% ) 2.900 1.100 1.100 peak 1200 spectrum 1 weight 0.11000E+01 volume 0.40038E-02 ppm1 0.940 ppm2 2.165 CV 1 ASSI { 1201} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 213 and name HA )) 4.300 2.300 1.700 peak 1201 spectrum 1 weight 0.11000E+01 volume 0.76231E-03 ppm1 0.945 ppm2 4.377 CV 1 ASSI { 1203} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 130 and name HA2 )) 4.800 2.800 1.200 peak 1203 spectrum 1 weight 0.11000E+01 volume 0.79417E-03 ppm1 0.760 ppm2 4.145 CV 1 ASSI { 1204} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 159 and name HA )) 3.900 1.900 1.900 peak 1204 spectrum 1 weight 0.11000E+01 volume 0.96905E-03 ppm1 0.763 ppm2 4.557 CV 1 ASSI { 1205} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HA )) 3.200 1.300 1.300 peak 1205 spectrum 1 weight 0.11000E+01 volume 0.16068E-02 ppm1 0.760 ppm2 4.925 CV 1 ASSI { 1206} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HB )) 2.300 0.700 0.700 peak 1206 spectrum 1 weight 0.11000E+01 volume 0.53578E-02 ppm1 0.760 ppm2 2.611 CV 1 ASSI { 1207} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 160 and name HG1%) 2.200 0.600 0.600 peak 1207 spectrum 1 weight 0.11000E+01 volume 0.87802E-02 ppm1 0.761 ppm2 0.932 CV 1 ASSI { 1208} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 161 and name HD% ) 4.600 4.600 1.400 peak 1208 spectrum 1 weight 0.11000E+01 volume 0.91825E-03 ppm1 0.773 ppm2 6.889 CV 1 ASSI { 1210} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 162 and name HA )) 4.200 2.200 1.800 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.10884E-02 ppm1 0.755 ppm2 4.879 CV 1 ASSI { 1211} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 162 and name HD% ) 3.000 1.200 1.200 peak 1211 spectrum 1 weight 0.11000E+01 volume 0.19527E-02 ppm1 0.759 ppm2 7.209 CV 1 ASSI { 1212} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 178 and name HB1 )) 4.000 2.000 2.000 peak 1212 spectrum 1 weight 0.11000E+01 volume 0.10689E-02 ppm1 0.759 ppm2 2.863 CV 1 ASSI { 1214} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 182 and name HG1 )) 4.300 2.400 1.700 peak 1214 spectrum 1 weight 0.11000E+01 volume 0.14559E-02 ppm1 0.765 ppm2 1.509 CV 1 ASSI { 1215} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 209 and name HA )) 3.800 1.800 1.800 peak 1215 spectrum 1 weight 0.11000E+01 volume 0.10645E-02 ppm1 0.760 ppm2 3.663 CV 1 ASSI { 1218} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 212 and name HG1 )) 3.500 1.500 1.500 peak 1218 spectrum 1 weight 0.11000E+01 volume 0.11716E-02 ppm1 0.757 ppm2 2.757 CV 1 ASSI { 1219} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 213 and name HA )) 2.900 1.000 1.000 peak 1219 spectrum 1 weight 0.11000E+01 volume 0.20325E-02 ppm1 0.759 ppm2 4.383 CV 1 ASSI { 1220} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 216 and name HB1 )) 3.600 1.600 1.600 peak 1220 spectrum 1 weight 0.11000E+01 volume 0.11874E-02 ppm1 0.755 ppm2 2.319 CV 1 ASSI { 1224} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name HB1 )) 2.700 0.900 0.900 peak 1224 spectrum 1 weight 0.11000E+01 volume 0.22410E-02 ppm1 5.591 ppm2 2.605 CV 1 ASSI { 1225} (( segid " " and resid 161 and name HA )) ( segid " " and resid 161 and name HD% ) 3.200 1.300 1.300 peak 1225 spectrum 1 weight 0.11000E+01 volume 0.11443E-02 ppm1 5.591 ppm2 6.904 CV 1 ASSI { 1226} (( segid " " and resid 161 and name HA )) (( segid " " and resid 162 and name HB1 )) 4.700 2.700 1.300 peak 1226 spectrum 1 weight 0.11000E+01 volume 0.23569E-03 ppm1 5.587 ppm2 2.905 CV 1 ASSI { 1227} (( segid " " and resid 161 and name HA )) (( segid " " and resid 162 and name HB2 )) 5.200 5.200 0.800 peak 1227 spectrum 1 weight 0.11000E+01 volume 0.37531E-03 ppm1 5.632 ppm2 2.680 CV 1 ASSI { 1228} (( segid " " and resid 161 and name HA )) ( segid " " and resid 162 and name HD% ) 4.200 2.200 1.800 peak 1228 spectrum 1 weight 0.11000E+01 volume 0.65126E-03 ppm1 5.586 ppm2 7.208 CV 1 ASSI { 1229} (( segid " " and resid 161 and name HA )) (( segid " " and resid 178 and name HA )) 4.100 2.100 1.900 peak 1229 spectrum 1 weight 0.11000E+01 volume 0.60360E-03 ppm1 5.559 ppm2 4.690 CV 1 ASSI { 1231} (( segid " " and resid 161 and name HA )) (( segid " " and resid 182 and name HG1 )) 4.500 2.600 1.500 peak 1231 spectrum 1 weight 0.11000E+01 volume 0.32531E-03 ppm1 5.594 ppm2 1.499 CV 1 ASSI { 1235} (( segid " " and resid 161 and name HB1 )) (( segid " " and resid 185 and name HE21)) 4.100 2.100 1.900 peak 1235 spectrum 1 weight 0.11000E+01 volume 0.55566E-03 ppm1 2.597 ppm2 7.363 CV 1 ASSI { 1236} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 127 and name HB2 )) 4.700 2.800 1.300 peak 1236 spectrum 1 weight 0.11000E+01 volume 0.13956E-02 ppm1 2.580 ppm2 2.927 CV 1 ASSI { 1237} (( segid " " and resid 161 and name HB2 )) ( segid " " and resid 127 and name HD% ) 4.300 2.300 1.700 peak 1237 spectrum 1 weight 0.11000E+01 volume 0.50651E-03 ppm1 2.553 ppm2 6.838 CV 1 ASSI { 1239} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 161 and name HA )) 3.800 1.800 1.800 peak 1239 spectrum 1 weight 0.11000E+01 volume 0.49233E-03 ppm1 2.610 ppm2 5.585 CV 1 ASSI { 1240} (( segid " " and resid 161 and name HB2 )) ( segid " " and resid 161 and name HD% ) 3.200 1.200 1.200 peak 1240 spectrum 1 weight 0.11000E+01 volume 0.87566E-03 ppm1 2.590 ppm2 6.895 CV 1 ASSI { 1241} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 162 and name HB2 )) 4.200 4.200 1.800 peak 1241 spectrum 1 weight 0.11000E+01 volume 0.13243E-02 ppm1 2.594 ppm2 2.695 CV 1 ASSI { 1242} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 182 and name HA )) 4.600 2.600 1.400 peak 1242 spectrum 1 weight 0.11000E+01 volume 0.32279E-03 ppm1 2.591 ppm2 4.066 CV 1 ASSI { 1243} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 182 and name HG1 )) 3.700 1.700 1.700 peak 1243 spectrum 1 weight 0.11000E+01 volume 0.81864E-03 ppm1 2.592 ppm2 1.486 CV 1 ASSI { 1244} (( segid " " and resid 162 and name HA )) (( segid " " and resid 127 and name HB1 )) 3.100 1.200 1.200 peak 1244 spectrum 1 weight 0.11000E+01 volume 0.19783E-02 ppm1 4.862 ppm2 2.847 CV 1 ASSI { 1245} (( segid " " and resid 162 and name HA )) (( segid " " and resid 127 and name HB2 )) 4.800 4.800 1.200 peak 1245 spectrum 1 weight 0.11000E+01 volume 0.73599E-03 ppm1 4.865 ppm2 2.981 CV 1 ASSI { 1246} (( segid " " and resid 162 and name HA )) (( segid " " and resid 128 and name HB1 )) 6.000 5.400 0.000 peak 1246 spectrum 1 weight 0.11000E+01 volume 0.97352E-04 ppm1 4.896 ppm2 1.570 CV 1 ASSI { 1247} (( segid " " and resid 162 and name HA )) (( segid " " and resid 128 and name HN )) 4.200 4.200 1.800 peak 1247 spectrum 1 weight 0.11000E+01 volume 0.50577E-03 ppm1 4.866 ppm2 9.035 CV 1 ASSI { 1250} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB1 )) 2.800 0.900 0.900 peak 1250 spectrum 1 weight 0.11000E+01 volume 0.19307E-02 ppm1 4.872 ppm2 2.900 CV 1 ASSI { 1251} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB2 )) 2.900 1.100 1.100 peak 1251 spectrum 1 weight 0.11000E+01 volume 0.12808E-02 ppm1 4.842 ppm2 2.699 CV 1 ASSI { 1252} (( segid " " and resid 162 and name HA )) ( segid " " and resid 162 and name HD% ) 3.900 1.900 1.900 peak 1252 spectrum 1 weight 0.11000E+01 volume 0.10001E-02 ppm1 4.870 ppm2 7.199 CV 1 ASSI { 1255} (( segid " " and resid 162 and name HA )) ( segid " " and resid 181 and name HD1%) 4.900 3.100 1.100 peak 1255 spectrum 1 weight 0.11000E+01 volume 0.33451E-03 ppm1 4.873 ppm2 0.400 CV 1 ASSI { 1256} (( segid " " and resid 162 and name HA )) ( segid " " and resid 181 and name HG2%) 4.600 2.700 1.400 peak 1256 spectrum 1 weight 0.11000E+01 volume 0.51968E-03 ppm1 4.865 ppm2 0.239 CV 1 ASSI { 1258} (( segid " " and resid 162 and name HB1 )) ( segid " " and resid 127 and name HD% ) 3.900 1.900 1.900 peak 1258 spectrum 1 weight 0.11000E+01 volume 0.91008E-03 ppm1 2.903 ppm2 6.849 CV 1 ASSI { 1260} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 162 and name HB2 )) 1.800 0.400 0.400 peak 1260 spectrum 1 weight 0.11000E+01 volume 0.75806E-02 ppm1 2.896 ppm2 2.695 CV 1 ASSI { 1261} (( segid " " and resid 162 and name HB1 )) ( segid " " and resid 162 and name HD% ) 3.500 1.600 1.600 peak 1261 spectrum 1 weight 0.11000E+01 volume 0.56107E-03 ppm1 2.892 ppm2 7.207 CV 1 ASSI { 1262} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 174 and name HZ )) 4.800 2.900 1.200 peak 1262 spectrum 1 weight 0.11000E+01 volume 0.43602E-03 ppm1 2.904 ppm2 6.702 CV 1 ASSI { 1263} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 178 and name HA )) 3.300 1.300 1.300 peak 1263 spectrum 1 weight 0.11000E+01 volume 0.13880E-02 ppm1 2.896 ppm2 4.688 CV 1 ASSI { 1264} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 178 and name HB2 )) 3.000 1.100 1.100 peak 1264 spectrum 1 weight 0.11000E+01 volume 0.49789E-03 ppm1 2.892 ppm2 3.188 CV 1 ASSI { 1265} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 128 and name HG1 )) 4.500 2.500 1.500 peak 1265 spectrum 1 weight 0.11000E+01 volume 0.39213E-03 ppm1 2.699 ppm2 2.231 CV 1 ASSI { 1266} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 128 and name HN )) 4.700 2.800 1.300 peak 1266 spectrum 1 weight 0.11000E+01 volume 0.44750E-03 ppm1 2.703 ppm2 9.128 CV 1 ASSI { 1269} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 163 and name HA )) 3.800 1.800 1.800 peak 1269 spectrum 1 weight 0.11000E+01 volume 0.11330E-02 ppm1 2.720 ppm2 4.625 CV 1 ASSI { 1270} (( segid " " and resid 163 and name HA )) (( segid " " and resid 128 and name HB2 )) 4.100 2.100 1.900 peak 1270 spectrum 1 weight 0.11000E+01 volume 0.12959E-02 ppm1 4.636 ppm2 1.023 CV 1 ASSI { 1271} (( segid " " and resid 163 and name HA )) (( segid " " and resid 128 and name HG1 )) 3.300 1.400 1.400 peak 1271 spectrum 1 weight 0.11000E+01 volume 0.90632E-03 ppm1 4.629 ppm2 2.205 CV 1 ASSI { 1272} (( segid " " and resid 163 and name HA )) (( segid " " and resid 164 and name HD1 )) 2.800 1.000 1.000 peak 1272 spectrum 1 weight 0.11000E+01 volume 0.10763E-02 ppm1 4.641 ppm2 3.408 CV 1 ASSI { 1274} (( segid " " and resid 163 and name HB2 )) (( segid " " and resid 128 and name HB2 )) 5.100 3.200 0.900 peak 1274 spectrum 1 weight 0.11000E+01 volume 0.78657E-03 ppm1 1.995 ppm2 1.051 CV 1 ASSI { 1275} (( segid " " and resid 163 and name HB2 )) (( segid " " and resid 128 and name HN )) 3.600 3.600 2.400 peak 1275 spectrum 1 weight 0.11000E+01 volume 0.23193E-02 ppm1 1.990 ppm2 9.180 CV 1 ASSI { 1276} (( segid " " and resid 163 and name HB2 )) (( segid " " and resid 163 and name HB1 )) 2.200 0.600 0.600 peak 1276 spectrum 1 weight 0.11000E+01 volume 0.28025E-02 ppm1 2.001 ppm2 1.823 CV 1 ASSI { 1277} (( segid " " and resid 163 and name HB2 )) (( segid " " and resid 164 and name HD1 )) 3.500 1.500 1.500 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.28856E-03 ppm1 1.996 ppm2 3.442 CV 1 ASSI { 1278} (( segid " " and resid 201 and name HB1 )) (( segid " " and resid 201 and name HB2 )) 2.300 0.700 0.700 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.19944E-02 ppm1 3.390 ppm2 2.592 CV 1 ASSI { 1279} (( segid " " and resid 164 and name HA )) ( segid " " and resid 162 and name HD% ) 3.700 1.700 1.700 peak 1279 spectrum 1 weight 0.11000E+01 volume 0.70814E-03 ppm1 4.592 ppm2 7.177 CV 1 ASSI { 1280} (( segid " " and resid 164 and name HA )) ( segid " " and resid 162 and name HE% ) 3.500 1.500 1.500 peak 1280 spectrum 1 weight 0.11000E+01 volume 0.81649E-03 ppm1 4.606 ppm2 6.474 CV 1 ASSI { 1281} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HB1 )) 2.600 0.800 0.800 peak 1281 spectrum 1 weight 0.11000E+01 volume 0.28901E-02 ppm1 4.597 ppm2 1.991 CV 1 ASSI { 1282} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HB2 )) 3.200 1.300 1.300 peak 1282 spectrum 1 weight 0.11000E+01 volume 0.25223E-02 ppm1 4.592 ppm2 2.484 CV 1 ASSI { 1284} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HG1 )) 3.600 1.600 1.600 peak 1284 spectrum 1 weight 0.11000E+01 volume 0.17920E-02 ppm1 4.593 ppm2 2.075 CV 1 OR { 1284} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HG2 )) ASSI { 1286} (( segid " " and resid 164 and name HA )) (( segid " " and resid 220 and name HG1 )) 4.100 2.200 1.900 peak 1286 spectrum 1 weight 0.11000E+01 volume 0.25451E-03 ppm1 4.609 ppm2 2.195 CV 1 ASSI { 1287} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 128 and name HG1 )) 3.500 1.500 1.500 peak 1287 spectrum 1 weight 0.11000E+01 volume 0.37441E-02 ppm1 2.017 ppm2 2.198 CV 1 ASSI { 1288} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 163 and name HB1 )) 3.700 3.700 2.300 peak 1288 spectrum 1 weight 0.11000E+01 volume 0.77364E-02 ppm1 2.008 ppm2 1.823 CV 1 ASSI { 1289} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 163 and name HG1 )) 3.500 3.500 2.500 peak 1289 spectrum 1 weight 0.11000E+01 volume 0.33139E-02 ppm1 2.019 ppm2 1.653 CV 1 ASSI { 1294} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 166 and name HB1 )) 4.200 2.200 1.800 peak 1294 spectrum 1 weight 0.11000E+01 volume 0.47417E-03 ppm1 2.009 ppm2 2.912 CV 1 ASSI { 1295} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 163 and name HD1 )) 4.400 2.400 1.600 peak 1295 spectrum 1 weight 0.11000E+01 volume 0.58981E-03 ppm1 2.481 ppm2 3.380 CV 1 ASSI { 1298} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 164 and name HB1 )) 2.200 0.600 0.600 peak 1298 spectrum 1 weight 0.11000E+01 volume 0.38518E-02 ppm1 2.483 ppm2 2.013 CV 1 ASSI { 1299} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 164 and name HG2 )) 2.900 1.000 1.000 peak 1299 spectrum 1 weight 0.11000E+01 volume 0.24717E-02 ppm1 2.485 ppm2 2.089 CV 1 OR { 1299} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 164 and name HG1 )) ASSI { 1301} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 128 and name HB2 )) 4.600 2.700 1.400 peak 1301 spectrum 1 weight 0.11000E+01 volume 0.47552E-03 ppm1 3.437 ppm2 1.026 CV 1 ASSI { 1302} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 163 and name HG1 )) 4.300 2.300 1.700 peak 1302 spectrum 1 weight 0.11000E+01 volume 0.55963E-03 ppm1 3.426 ppm2 1.663 CV 1 ASSI { 1303} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 164 and name HA )) 3.700 1.700 1.700 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.92804E-03 ppm1 3.428 ppm2 4.622 CV 1 ASSI { 1304} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 164 and name HB1 )) 4.200 2.200 1.800 peak 1304 spectrum 1 weight 0.11000E+01 volume 0.10146E-02 ppm1 3.439 ppm2 1.992 CV 1 ASSI { 1306} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 128 and name HG2 )) 4.600 2.600 1.400 peak 1306 spectrum 1 weight 0.11000E+01 volume 0.79009E-03 ppm1 3.672 ppm2 2.176 CV 1 ASSI { 1307} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 163 and name HG1 )) 3.700 1.700 1.700 peak 1307 spectrum 1 weight 0.11000E+01 volume 0.49727E-03 ppm1 3.663 ppm2 1.690 CV 1 ASSI { 1308} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 164 and name HB1 )) 4.200 2.200 1.800 peak 1308 spectrum 1 weight 0.11000E+01 volume 0.10920E-02 ppm1 3.674 ppm2 1.994 CV 1 ASSI { 1309} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 164 and name HD1 )) 2.600 0.800 0.800 peak 1309 spectrum 1 weight 0.11000E+01 volume 0.11598E-02 ppm1 3.664 ppm2 3.422 CV 1 ASSI { 1312} (( segid " " and resid 165 and name HA )) ( segid " " and resid 168 and name HD% ) 3.200 3.200 2.800 peak 1312 spectrum 1 weight 0.11000E+01 volume 0.19115E-02 ppm1 4.315 ppm2 7.377 CV 1 ASSI { 1314} (( segid " " and resid 165 and name HA )) (( segid " " and resid 168 and name HN )) 5.100 3.300 0.900 peak 1314 spectrum 1 weight 0.11000E+01 volume 0.56964E-03 ppm1 4.324 ppm2 7.873 CV 1 ASSI { 1315} (( segid " " and resid 208 and name HB )) (( segid " " and resid 152 and name HD22)) 3.500 1.500 1.500 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.56523E-03 ppm1 2.128 ppm2 6.545 CV 1 ASSI { 1316} (( segid " " and resid 165 and name HB )) (( segid " " and resid 162 and name HB2 )) 4.400 2.400 1.600 peak 1316 spectrum 1 weight 0.11000E+01 volume 0.34750E-03 ppm1 2.128 ppm2 2.711 CV 1 ASSI { 1317} (( segid " " and resid 165 and name HB )) (( segid " " and resid 165 and name HA )) 2.900 1.100 1.100 peak 1317 spectrum 1 weight 0.11000E+01 volume 0.18635E-02 ppm1 2.115 ppm2 4.311 CV 1 ASSI { 1318} (( segid " " and resid 165 and name HB )) ( segid " " and resid 165 and name HG1%) 2.400 0.700 0.700 peak 1318 spectrum 1 weight 0.11000E+01 volume 0.62449E-02 ppm1 2.121 ppm2 0.862 CV 1 ASSI { 1320} (( segid " " and resid 165 and name HB )) (( segid " " and resid 166 and name HA )) 4.800 2.900 1.200 peak 1320 spectrum 1 weight 0.11000E+01 volume 0.49477E-03 ppm1 2.129 ppm2 4.604 CV 1 ASSI { 1321} (( segid " " and resid 165 and name HB )) ( segid " " and resid 174 and name HE% ) 4.200 2.200 1.800 peak 1321 spectrum 1 weight 0.11000E+01 volume 0.34858E-03 ppm1 2.102 ppm2 7.183 CV 1 ASSI { 1323} (( segid " " and resid 165 and name HB )) (( segid " " and resid 220 and name HB1 )) 2.300 2.300 3.700 peak 1323 spectrum 1 weight 0.11000E+01 volume 0.31604E-01 ppm1 2.131 ppm2 2.183 CV 1 ASSI { 1324} (( segid " " and resid 165 and name HB )) (( segid " " and resid 220 and name HB2 )) 4.100 2.100 1.900 peak 1324 spectrum 1 weight 0.11000E+01 volume 0.14965E-02 ppm1 2.131 ppm2 1.895 CV 1 ASSI { 1326} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 128 and name HG2 )) 1.800 1.800 4.200 peak 1326 spectrum 1 weight 0.11000E+01 volume 0.41975E-02 ppm1 0.851 ppm2 2.161 CV 1 ASSI { 1327} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 163 and name HG1 )) 3.400 1.500 1.500 peak 1327 spectrum 1 weight 0.11000E+01 volume 0.19801E-02 ppm1 0.844 ppm2 1.698 CV 1 ASSI { 1328} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 163 and name HN )) 3.800 3.800 2.200 peak 1328 spectrum 1 weight 0.11000E+01 volume 0.10272E-02 ppm1 0.875 ppm2 7.886 CV 1 ASSI { 1329} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 164 and name HA )) 4.700 2.700 1.300 peak 1329 spectrum 1 weight 0.11000E+01 volume 0.98642E-03 ppm1 0.851 ppm2 4.599 CV 1 ASSI { 1330} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 164 and name HB1 )) 3.600 1.600 1.600 peak 1330 spectrum 1 weight 0.11000E+01 volume 0.80768E-02 ppm1 0.880 ppm2 2.018 CV 1 ASSI { 1331} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 164 and name HB2 )) 5.400 3.700 0.600 peak 1331 spectrum 1 weight 0.11000E+01 volume 0.48765E-03 ppm1 0.841 ppm2 2.456 CV 1 ASSI { 1332} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 164 and name HG1 )) 3.400 3.400 2.600 peak 1332 spectrum 1 weight 0.11000E+01 volume 0.86808E-02 ppm1 0.844 ppm2 2.072 CV 1 OR { 1332} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 164 and name HG2 )) ASSI { 1333} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 165 and name HA )) 3.300 1.400 1.400 peak 1333 spectrum 1 weight 0.11000E+01 volume 0.24882E-02 ppm1 0.855 ppm2 4.324 CV 1 ASSI { 1335} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 166 and name HB1 )) 3.600 1.600 1.600 peak 1335 spectrum 1 weight 0.11000E+01 volume 0.16321E-02 ppm1 0.853 ppm2 2.936 CV 1 ASSI { 1336} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 166 and name HB2 )) 4.300 2.300 1.700 peak 1336 spectrum 1 weight 0.11000E+01 volume 0.39025E-03 ppm1 0.862 ppm2 2.663 CV 1 ASSI { 1337} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 167 and name HN )) 4.900 3.000 1.100 peak 1337 spectrum 1 weight 0.11000E+01 volume 0.74675E-03 ppm1 0.856 ppm2 8.241 CV 1 ASSI { 1338} ( segid " " and resid 165 and name HG1%) ( segid " " and resid 168 and name HD% ) 4.200 2.300 1.800 peak 1338 spectrum 1 weight 0.11000E+01 volume 0.87072E-03 ppm1 0.859 ppm2 7.387 CV 1 ASSI { 1340} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 174 and name HA )) 3.400 3.400 2.600 peak 1340 spectrum 1 weight 0.11000E+01 volume 0.43745E-02 ppm1 0.847 ppm2 4.157 CV 1 ASSI { 1341} ( segid " " and resid 165 and name HG1%) ( segid " " and resid 217 and name HD% ) 3.100 3.100 2.900 peak 1341 spectrum 1 weight 0.11000E+01 volume 0.13603E-02 ppm1 0.851 ppm2 6.162 CV 1 ASSI { 1343} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 221 and name HB1 )) 4.600 2.600 1.400 peak 1343 spectrum 1 weight 0.11000E+01 volume 0.55711E-03 ppm1 0.851 ppm2 3.586 CV 1 ASSI { 1344} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 221 and name HB2 )) 3.700 1.700 1.700 peak 1344 spectrum 1 weight 0.11000E+01 volume 0.99075E-03 ppm1 0.846 ppm2 3.366 CV 1 ASSI { 1346} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 165 and name HA )) 3.100 1.200 1.200 peak 1346 spectrum 1 weight 0.11000E+01 volume 0.21557E-02 ppm1 0.946 ppm2 4.324 CV 1 ASSI { 1347} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 165 and name HB )) 2.300 0.600 0.600 peak 1347 spectrum 1 weight 0.11000E+01 volume 0.90355E-02 ppm1 0.947 ppm2 2.151 CV 1 ASSI { 1348} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 217 and name HB1 )) 4.100 2.100 1.900 peak 1348 spectrum 1 weight 0.11000E+01 volume 0.16035E-02 ppm1 0.948 ppm2 2.569 CV 1 ASSI { 1349} (( segid " " and resid 166 and name HA )) ( segid " " and resid 165 and name HG1%) 3.600 1.700 1.700 peak 1349 spectrum 1 weight 0.11000E+01 volume 0.10439E-02 ppm1 4.611 ppm2 0.847 CV 1 ASSI { 1350} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HB1 )) 2.900 1.100 1.100 peak 1350 spectrum 1 weight 0.11000E+01 volume 0.55453E-02 ppm1 4.610 ppm2 2.901 CV 1 ASSI { 1351} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HB2 )) 2.400 0.700 0.700 peak 1351 spectrum 1 weight 0.11000E+01 volume 0.55133E-02 ppm1 4.611 ppm2 2.687 CV 1 ASSI { 1352} (( segid " " and resid 166 and name HA )) (( segid " " and resid 167 and name HA )) 3.900 1.900 1.900 peak 1352 spectrum 1 weight 0.11000E+01 volume 0.79544E-03 ppm1 4.597 ppm2 4.101 CV 1 ASSI { 1353} (( segid " " and resid 166 and name HA )) (( segid " " and resid 167 and name HE22)) 5.400 3.700 0.600 peak 1353 spectrum 1 weight 0.11000E+01 volume 0.57050E-03 ppm1 4.571 ppm2 7.315 CV 1 ASSI { 1356} (( segid " " and resid 166 and name HB1 )) (( segid " " and resid 166 and name HB2 )) 2.000 0.500 0.500 peak 1356 spectrum 1 weight 0.11000E+01 volume 0.75806E-02 ppm1 2.896 ppm2 2.695 CV 1 ASSI { 1359} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HB1 )) 2.800 1.000 1.000 peak 1359 spectrum 1 weight 0.11000E+01 volume 0.31110E-02 ppm1 4.111 ppm2 1.913 CV 1 ASSI { 1360} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HB2 )) 3.200 1.300 1.300 peak 1360 spectrum 1 weight 0.11000E+01 volume 0.20360E-02 ppm1 4.107 ppm2 1.717 CV 1 ASSI { 1361} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HG1 )) 3.600 1.600 1.600 peak 1361 spectrum 1 weight 0.11000E+01 volume 0.28367E-02 ppm1 4.110 ppm2 2.233 CV 1 ASSI { 1362} (( segid " " and resid 167 and name HG1 )) (( segid " " and resid 166 and name HA )) 5.500 3.800 0.500 peak 1362 spectrum 1 weight 0.11000E+01 volume 0.59806E-03 ppm1 2.247 ppm2 4.618 CV 1 ASSI { 1364} (( segid " " and resid 167 and name HG1 )) (( segid " " and resid 167 and name HB1 )) 3.200 1.300 1.300 peak 1364 spectrum 1 weight 0.11000E+01 volume 0.33300E-02 ppm1 2.249 ppm2 1.922 CV 1 ASSI { 1365} (( segid " " and resid 167 and name HG1 )) (( segid " " and resid 167 and name HB2 )) 2.600 0.800 0.800 peak 1365 spectrum 1 weight 0.11000E+01 volume 0.31628E-02 ppm1 2.249 ppm2 1.721 CV 1 ASSI { 1366} (( segid " " and resid 167 and name HG1 )) (( segid " " and resid 168 and name HB1 )) 5.400 3.700 0.600 peak 1366 spectrum 1 weight 0.11000E+01 volume 0.34557E-03 ppm1 2.256 ppm2 3.420 CV 1 ASSI { 1367} (( segid " " and resid 167 and name HG2 )) (( segid " " and resid 164 and name HB2 )) 3.000 3.000 3.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.20984E-02 ppm1 2.235 ppm2 2.487 CV 1 OR { 1367} (( segid " " and resid 167 and name HG1 )) (( segid " " and resid 164 and name HB2 )) ASSI { 1368} (( segid " " and resid 167 and name HG2 )) (( segid " " and resid 167 and name HA )) 3.400 1.400 1.400 peak 1368 spectrum 1 weight 0.11000E+01 volume 0.24731E-02 ppm1 2.217 ppm2 4.104 CV 1 ASSI { 1369} (( segid " " and resid 167 and name HG2 )) (( segid " " and resid 167 and name HB1 )) 2.600 0.800 0.800 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.35214E-02 ppm1 2.217 ppm2 1.922 CV 1 ASSI { 1370} (( segid " " and resid 167 and name HG2 )) (( segid " " and resid 167 and name HB2 )) 3.100 1.200 1.200 peak 1370 spectrum 1 weight 0.11000E+01 volume 0.37946E-02 ppm1 2.220 ppm2 1.716 CV 1 ASSI { 1371} (( segid " " and resid 167 and name HG2 )) (( segid " " and resid 168 and name HB1 )) 5.600 3.900 0.400 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.60309E-03 ppm1 2.219 ppm2 3.427 CV 1 ASSI { 1372} (( segid " " and resid 168 and name HA )) (( segid " " and resid 167 and name HA )) 4.800 2.800 1.200 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.26163E-03 ppm1 4.931 ppm2 4.132 CV 1 ASSI { 1373} (( segid " " and resid 168 and name HA )) (( segid " " and resid 168 and name HB1 )) 3.100 1.200 1.200 peak 1373 spectrum 1 weight 0.11000E+01 volume 0.20904E-02 ppm1 4.921 ppm2 3.419 CV 1 ASSI { 1374} (( segid " " and resid 168 and name HA )) (( segid " " and resid 168 and name HB2 )) 3.100 1.200 1.200 peak 1374 spectrum 1 weight 0.11000E+01 volume 0.21211E-02 ppm1 4.924 ppm2 3.019 CV 1 ASSI { 1375} (( segid " " and resid 168 and name HA )) ( segid " " and resid 168 and name HD% ) 3.100 1.200 1.200 peak 1375 spectrum 1 weight 0.11000E+01 volume 0.21428E-02 ppm1 4.924 ppm2 7.380 CV 1 ASSI { 1378} (( segid " " and resid 168 and name HA )) (( segid " " and resid 169 and name HB1 )) 4.300 2.300 1.700 peak 1378 spectrum 1 weight 0.11000E+01 volume 0.54622E-03 ppm1 4.924 ppm2 4.038 CV 1 OR { 1378} (( segid " " and resid 168 and name HA )) (( segid " " and resid 169 and name HB2 )) ASSI { 1380} (( segid " " and resid 168 and name HB1 )) ( segid " " and resid 168 and name HD% ) 3.200 1.300 1.300 peak 1380 spectrum 1 weight 0.11000E+01 volume 0.12463E-02 ppm1 3.411 ppm2 7.366 CV 1 ASSI { 1381} (( segid " " and resid 168 and name HB1 )) (( segid " " and resid 169 and name HA )) 4.700 2.700 1.300 peak 1381 spectrum 1 weight 0.11000E+01 volume 0.35894E-03 ppm1 3.411 ppm2 4.544 CV 1 ASSI { 1385} (( segid " " and resid 168 and name HB2 )) (( segid " " and resid 168 and name HB1 )) 2.500 0.800 0.800 peak 1385 spectrum 1 weight 0.11000E+01 volume 0.18104E-02 ppm1 3.020 ppm2 3.412 CV 1 ASSI { 1386} (( segid " " and resid 168 and name HB2 )) ( segid " " and resid 168 and name HD% ) 3.500 1.600 1.600 peak 1386 spectrum 1 weight 0.11000E+01 volume 0.87032E-03 ppm1 3.014 ppm2 7.371 CV 1 ASSI { 1387} (( segid " " and resid 169 and name HA )) (( segid " " and resid 168 and name HA )) 4.400 2.400 1.600 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.53978E-03 ppm1 4.536 ppm2 4.923 CV 1 ASSI { 1388} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HB1 )) 2.600 0.800 0.800 peak 1388 spectrum 1 weight 0.11000E+01 volume 0.69622E-02 ppm1 4.540 ppm2 3.996 CV 1 OR { 1388} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HB2 )) ASSI { 1390} (( segid " " and resid 170 and name HA )) (( segid " " and resid 170 and name HB1 )) 2.600 0.900 0.900 peak 1390 spectrum 1 weight 0.11000E+01 volume 0.32204E-02 ppm1 4.759 ppm2 3.219 CV 1 ASSI { 1391} (( segid " " and resid 170 and name HA )) (( segid " " and resid 170 and name HB2 )) 2.900 1.000 1.000 peak 1391 spectrum 1 weight 0.11000E+01 volume 0.46423E-02 ppm1 4.774 ppm2 3.018 CV 1 ASSI { 1393} (( segid " " and resid 170 and name HB1 )) (( segid " " and resid 170 and name HB2 )) 2.300 0.600 0.600 peak 1393 spectrum 1 weight 0.11000E+01 volume 0.36330E-02 ppm1 3.230 ppm2 3.015 CV 1 ASSI { 1396} (( segid " " and resid 171 and name HA )) (( segid " " and resid 171 and name HG1 )) 3.100 1.200 1.200 peak 1396 spectrum 1 weight 0.11000E+01 volume 0.23069E-02 ppm1 3.740 ppm2 2.473 CV 1 ASSI { 1397} (( segid " " and resid 171 and name HA )) (( segid " " and resid 171 and name HG2 )) 3.600 1.600 1.600 peak 1397 spectrum 1 weight 0.11000E+01 volume 0.17533E-02 ppm1 3.746 ppm2 2.718 CV 1 ASSI { 1398} (( segid " " and resid 171 and name HA )) (( segid " " and resid 175 and name HB )) 3.800 1.800 1.800 peak 1398 spectrum 1 weight 0.11000E+01 volume 0.70954E-03 ppm1 3.749 ppm2 2.219 CV 1 ASSI { 1399} (( segid " " and resid 171 and name HA )) (( segid " " and resid 214 and name HA )) 5.300 5.300 0.700 peak 1399 spectrum 1 weight 0.11000E+01 volume 0.17139E-03 ppm1 3.754 ppm2 3.485 CV 1 ASSI { 1400} (( segid " " and resid 171 and name HA )) (( segid " " and resid 217 and name HB1 )) 4.000 2.000 2.000 peak 1400 spectrum 1 weight 0.11000E+01 volume 0.71509E-03 ppm1 3.747 ppm2 2.551 CV 1 ASSI { 1401} (( segid " " and resid 171 and name HA )) (( segid " " and resid 217 and name HB2 )) 3.000 3.000 3.000 peak 1401 spectrum 1 weight 0.11000E+01 volume 0.28708E-02 ppm1 3.751 ppm2 2.111 CV 1 ASSI { 1402} (( segid " " and resid 171 and name HA )) ( segid " " and resid 217 and name HD% ) 3.800 1.800 1.800 peak 1402 spectrum 1 weight 0.11000E+01 volume 0.61798E-03 ppm1 3.744 ppm2 6.178 CV 1 ASSI { 1404} (( segid " " and resid 171 and name HG1 )) (( segid " " and resid 171 and name HG2 )) 2.000 0.500 0.500 peak 1404 spectrum 1 weight 0.11000E+01 volume 0.98122E-02 ppm1 2.488 ppm2 2.712 CV 1 ASSI { 1405} (( segid " " and resid 171 and name HG1 )) ( segid " " and resid 175 and name HG1%) 4.100 2.100 1.900 peak 1405 spectrum 1 weight 0.11000E+01 volume 0.86870E-03 ppm1 2.506 ppm2 1.014 CV 1 ASSI { 1406} (( segid " " and resid 171 and name HG1 )) ( segid " " and resid 175 and name HG2%) 4.100 2.100 1.900 peak 1406 spectrum 1 weight 0.11000E+01 volume 0.46985E-03 ppm1 2.513 ppm2 1.071 CV 1 ASSI { 1407} (( segid " " and resid 171 and name HG1 )) (( segid " " and resid 217 and name HB1 )) 1.900 1.900 4.100 peak 1407 spectrum 1 weight 0.11000E+01 volume 0.48045E-01 ppm1 2.490 ppm2 2.569 CV 1 ASSI { 1408} (( segid " " and resid 171 and name HG1 )) (( segid " " and resid 217 and name HB2 )) 2.300 2.300 3.700 peak 1408 spectrum 1 weight 0.11000E+01 volume 0.16836E-01 ppm1 2.493 ppm2 2.111 CV 1 ASSI { 1409} (( segid " " and resid 171 and name HG1 )) ( segid " " and resid 217 and name HD% ) 5.200 3.400 0.800 peak 1409 spectrum 1 weight 0.11000E+01 volume 0.96704E-04 ppm1 2.497 ppm2 6.189 CV 1 ASSI { 1410} (( segid " " and resid 171 and name HG1 )) ( segid " " and resid 217 and name HE% ) 3.300 1.400 1.400 peak 1410 spectrum 1 weight 0.11000E+01 volume 0.13056E-02 ppm1 2.500 ppm2 7.143 CV 1 ASSI { 1411} (( segid " " and resid 171 and name HG2 )) (( segid " " and resid 170 and name HA )) 5.200 5.200 0.800 peak 1411 spectrum 1 weight 0.11000E+01 volume 0.48171E-03 ppm1 2.708 ppm2 4.699 CV 1 ASSI { 1413} (( segid " " and resid 171 and name HG2 )) (( segid " " and resid 175 and name HB )) 4.100 2.100 1.900 peak 1413 spectrum 1 weight 0.11000E+01 volume 0.54734E-03 ppm1 2.720 ppm2 2.210 CV 1 ASSI { 1414} (( segid " " and resid 171 and name HG2 )) ( segid " " and resid 217 and name HD% ) 4.600 4.600 1.400 peak 1414 spectrum 1 weight 0.11000E+01 volume 0.35269E-03 ppm1 2.727 ppm2 6.150 CV 1 ASSI { 1415} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name HB1 )) 2.800 1.000 1.000 peak 1415 spectrum 1 weight 0.11000E+01 volume 0.24839E-02 ppm1 4.246 ppm2 2.756 CV 1 ASSI { 1416} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name HB2 )) 2.900 1.100 1.100 peak 1416 spectrum 1 weight 0.11000E+01 volume 0.34659E-02 ppm1 4.226 ppm2 2.722 CV 1 ASSI { 1417} (( segid " " and resid 172 and name HA )) (( segid " " and resid 175 and name HB )) 2.900 1.100 1.100 peak 1417 spectrum 1 weight 0.11000E+01 volume 0.22363E-02 ppm1 4.227 ppm2 2.197 CV 1 ASSI { 1418} (( segid " " and resid 172 and name HA )) ( segid " " and resid 175 and name HG1%) 3.400 1.500 1.500 peak 1418 spectrum 1 weight 0.11000E+01 volume 0.20339E-02 ppm1 4.227 ppm2 1.050 CV 1 ASSI { 1421} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 176 and name HA )) 4.200 2.200 1.800 peak 1421 spectrum 1 weight 0.11000E+01 volume 0.12389E-02 ppm1 2.770 ppm2 4.284 CV 1 ASSI { 1423} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 172 and name HB1 )) 1.800 0.400 0.400 peak 1423 spectrum 1 weight 0.11000E+01 volume 0.16470E-01 ppm1 2.678 ppm2 2.742 CV 1 ASSI { 1424} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 173 and name HA )) 3.500 1.500 1.500 peak 1424 spectrum 1 weight 0.11000E+01 volume 0.12948E-02 ppm1 2.673 ppm2 4.300 CV 1 ASSI { 1425} (( segid " " and resid 173 and name HA )) (( segid " " and resid 170 and name HB1 )) 3.900 1.900 1.900 peak 1425 spectrum 1 weight 0.11000E+01 volume 0.24889E-02 ppm1 4.306 ppm2 3.239 CV 1 ASSI { 1426} (( segid " " and resid 173 and name HA )) (( segid " " and resid 172 and name HD22)) 3.900 3.900 2.100 peak 1426 spectrum 1 weight 0.11000E+01 volume 0.15809E-02 ppm1 4.297 ppm2 6.906 CV 1 ASSI { 1427} (( segid " " and resid 173 and name HA )) (( segid " " and resid 176 and name HB1 )) 3.500 1.500 1.500 peak 1427 spectrum 1 weight 0.11000E+01 volume 0.11246E-02 ppm1 4.305 ppm2 3.325 CV 1 OR { 1427} (( segid " " and resid 173 and name HA )) (( segid " " and resid 176 and name HB2 )) ASSI { 1428} (( segid " " and resid 173 and name HA )) (( segid " " and resid 177 and name HA )) 3.800 3.800 2.200 peak 1428 spectrum 1 weight 0.11000E+01 volume 0.11431E-02 ppm1 4.292 ppm2 4.566 CV 1 ASSI { 1430} (( segid " " and resid 173 and name HB1 )) (( segid " " and resid 171 and name HE22)) 4.800 2.900 1.200 peak 1430 spectrum 1 weight 0.11000E+01 volume 0.11329E-02 ppm1 4.158 ppm2 7.406 CV 1 ASSI { 1431} (( segid " " and resid 173 and name HB1 )) (( segid " " and resid 173 and name HB2 )) 1.900 0.400 0.400 peak 1431 spectrum 1 weight 0.11000E+01 volume 0.97914E-02 ppm1 4.152 ppm2 4.263 CV 1 ASSI { 1432} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 171 and name HE22)) 4.600 2.700 1.400 peak 1432 spectrum 1 weight 0.11000E+01 volume 0.11323E-02 ppm1 4.259 ppm2 7.371 CV 1 ASSI { 1434} (( segid " " and resid 174 and name HB1 )) (( segid " " and resid 174 and name HB2 )) 2.000 2.000 4.000 peak 1434 spectrum 1 weight 0.11000E+01 volume 0.73235E-02 ppm1 2.694 ppm2 2.895 CV 1 ASSI { 1435} (( segid " " and resid 175 and name HA )) (( segid " " and resid 175 and name HB )) 3.800 1.800 1.800 peak 1435 spectrum 1 weight 0.11000E+01 volume 0.49542E-03 ppm1 3.408 ppm2 2.191 CV 1 ASSI { 1436} (( segid " " and resid 175 and name HA )) ( segid " " and resid 175 and name HG1%) 2.900 1.000 1.000 peak 1436 spectrum 1 weight 0.11000E+01 volume 0.29703E-02 ppm1 3.406 ppm2 1.050 CV 1 ASSI { 1437} (( segid " " and resid 175 and name HA )) ( segid " " and resid 175 and name HG2%) 2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.11000E+01 volume 0.29741E-02 ppm1 3.402 ppm2 1.053 CV 1 ASSI { 1439} (( segid " " and resid 175 and name HA )) (( segid " " and resid 178 and name HB1 )) 3.000 1.100 1.100 peak 1439 spectrum 1 weight 0.11000E+01 volume 0.13579E-02 ppm1 3.407 ppm2 2.848 CV 1 ASSI { 1441} (( segid " " and resid 175 and name HA )) (( segid " " and resid 213 and name HB1 )) 3.600 1.600 1.600 peak 1441 spectrum 1 weight 0.11000E+01 volume 0.80655E-03 ppm1 3.405 ppm2 3.555 CV 1 ASSI { 1442} (( segid " " and resid 175 and name HA )) (( segid " " and resid 213 and name HB2 )) 3.800 1.800 1.800 peak 1442 spectrum 1 weight 0.11000E+01 volume 0.13579E-02 ppm1 3.407 ppm2 2.858 CV 1 ASSI { 1443} (( segid " " and resid 175 and name HA )) (( segid " " and resid 214 and name HA )) 3.800 1.800 1.800 peak 1443 spectrum 1 weight 0.11000E+01 volume 0.24933E-02 ppm1 3.407 ppm2 3.445 CV 1 ASSI { 1448} (( segid " " and resid 175 and name HB )) (( segid " " and resid 178 and name HB1 )) 4.700 2.800 1.300 peak 1448 spectrum 1 weight 0.11000E+01 volume 0.34326E-03 ppm1 2.210 ppm2 2.856 CV 1 ASSI { 1449} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 174 and name HB2 )) 4.300 2.300 1.700 peak 1449 spectrum 1 weight 0.11000E+01 volume 0.22869E-02 ppm1 1.057 ppm2 2.913 CV 1 ASSI { 1450} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 175 and name HB )) 2.100 0.500 0.500 peak 1450 spectrum 1 weight 0.11000E+01 volume 0.12381E-01 ppm1 1.052 ppm2 2.179 CV 1 ASSI { 1451} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 213 and name HB1 )) 2.600 2.600 3.400 peak 1451 spectrum 1 weight 0.11000E+01 volume 0.21514E-02 ppm1 1.039 ppm2 3.515 CV 1 ASSI { 1452} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 214 and name HA )) 3.000 1.100 1.100 peak 1452 spectrum 1 weight 0.11000E+01 volume 0.23517E-02 ppm1 1.052 ppm2 3.444 CV 1 ASSI { 1454} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 172 and name HA )) 3.800 1.800 1.800 peak 1454 spectrum 1 weight 0.11000E+01 volume 0.11459E-02 ppm1 1.052 ppm2 4.235 CV 1 ASSI { 1455} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 172 and name HB2 )) 4.400 4.400 1.600 peak 1455 spectrum 1 weight 0.11000E+01 volume 0.89979E-03 ppm1 1.052 ppm2 2.648 CV 1 ASSI { 1456} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 174 and name HB1 )) 3.600 3.600 2.400 peak 1456 spectrum 1 weight 0.11000E+01 volume 0.13081E-02 ppm1 1.055 ppm2 2.734 CV 1 ASSI { 1457} ( segid " " and resid 175 and name HG2%) ( segid " " and resid 174 and name HE% ) 3.500 3.500 2.500 peak 1457 spectrum 1 weight 0.11000E+01 volume 0.15190E-02 ppm1 1.056 ppm2 7.187 CV 1 ASSI { 1459} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 175 and name HB )) 2.600 0.900 0.900 peak 1459 spectrum 1 weight 0.11000E+01 volume 0.33627E-02 ppm1 1.054 ppm2 2.196 CV 1 ASSI { 1460} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 177 and name HB1 )) 4.200 2.200 1.800 peak 1460 spectrum 1 weight 0.11000E+01 volume 0.98823E-03 ppm1 1.059 ppm2 2.963 CV 1 ASSI { 1461} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 178 and name HB1 )) 3.900 1.900 1.900 peak 1461 spectrum 1 weight 0.11000E+01 volume 0.10433E-02 ppm1 1.062 ppm2 2.844 CV 1 ASSI { 1462} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 179 and name HN )) 3.200 3.200 2.800 peak 1462 spectrum 1 weight 0.11000E+01 volume 0.44157E-02 ppm1 1.052 ppm2 9.198 CV 1 ASSI { 1463} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 214 and name HA )) 2.700 2.700 3.300 peak 1463 spectrum 1 weight 0.11000E+01 volume 0.22953E-02 ppm1 1.052 ppm2 3.490 CV 1 ASSI { 1464} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HB2 )) 2.800 0.900 0.900 peak 1464 spectrum 1 weight 0.11000E+01 volume 0.38631E-02 ppm1 4.302 ppm2 3.330 CV 1 OR { 1464} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HB1 )) ASSI { 1465} (( segid " " and resid 176 and name HA )) (( segid " " and resid 179 and name HB )) 4.300 2.300 1.700 peak 1465 spectrum 1 weight 0.11000E+01 volume 0.80426E-03 ppm1 4.300 ppm2 2.136 CV 1 ASSI { 1468} (( segid " " and resid 176 and name HA )) (( segid " " and resid 180 and name HB2 )) 4.300 2.300 1.700 peak 1468 spectrum 1 weight 0.11000E+01 volume 0.49846E-03 ppm1 4.299 ppm2 2.804 CV 1 ASSI { 1469} (( segid " " and resid 176 and name HB2 )) ( segid " " and resid 175 and name HG1%) 5.100 3.200 0.900 peak 1469 spectrum 1 weight 0.11000E+01 volume 0.25342E-03 ppm1 3.308 ppm2 1.043 CV 1 OR { 1469} (( segid " " and resid 176 and name HB1 )) ( segid " " and resid 175 and name HG1%) ASSI { 1471} (( segid " " and resid 176 and name HB2 )) (( segid " " and resid 176 and name HD1 )) 3.900 1.900 1.900 peak 1471 spectrum 1 weight 0.11000E+01 volume 0.53551E-03 ppm1 3.328 ppm2 7.352 CV 1 OR { 1471} (( segid " " and resid 176 and name HB1 )) (( segid " " and resid 176 and name HD1 )) ASSI { 1472} (( segid " " and resid 177 and name HA )) (( segid " " and resid 177 and name HB1 )) 3.000 1.100 1.100 peak 1472 spectrum 1 weight 0.11000E+01 volume 0.42083E-02 ppm1 4.582 ppm2 2.992 CV 1 ASSI { 1473} (( segid " " and resid 177 and name HA )) (( segid " " and resid 177 and name HB2 )) 2.700 0.900 0.900 peak 1473 spectrum 1 weight 0.11000E+01 volume 0.38546E-02 ppm1 4.586 ppm2 2.962 CV 1 ASSI { 1474} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HA )) 5.000 3.100 1.000 peak 1474 spectrum 1 weight 0.11000E+01 volume 0.45233E-03 ppm1 4.577 ppm2 4.311 CV 1 ASSI { 1475} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HB1 )) 3.600 1.600 1.600 peak 1475 spectrum 1 weight 0.11000E+01 volume 0.22936E-02 ppm1 4.580 ppm2 2.855 CV 1 ASSI { 1476} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HB2 )) 2.800 1.000 1.000 peak 1476 spectrum 1 weight 0.11000E+01 volume 0.23451E-02 ppm1 4.583 ppm2 2.811 CV 1 ASSI { 1477} (( segid " " and resid 177 and name HA )) (( segid " " and resid 181 and name HG11)) 4.300 2.300 1.700 peak 1477 spectrum 1 weight 0.11000E+01 volume 0.51767E-03 ppm1 4.591 ppm2 0.877 CV 1 ASSI { 1478} (( segid " " and resid 177 and name HA )) ( segid " " and resid 181 and name HG2%) 5.100 5.100 0.900 peak 1478 spectrum 1 weight 0.11000E+01 volume 0.42405E-03 ppm1 4.582 ppm2 0.280 CV 1 ASSI { 1479} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 176 and name HB1 )) 4.900 3.000 1.100 peak 1479 spectrum 1 weight 0.11000E+01 volume 0.52634E-03 ppm1 2.978 ppm2 3.314 CV 1 OR { 1479} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 176 and name HB2 )) ASSI { 1483} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 178 and name HB1 )) 3.000 3.000 3.000 peak 1483 spectrum 1 weight 0.11000E+01 volume 0.25295E-02 ppm1 2.988 ppm2 2.833 CV 1 ASSI { 1484} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 178 and name HB2 )) 4.200 2.200 1.800 peak 1484 spectrum 1 weight 0.11000E+01 volume 0.88178E-03 ppm1 2.992 ppm2 3.192 CV 1 ASSI { 1485} (( segid " " and resid 178 and name HA )) (( segid " " and resid 178 and name HB1 )) 2.700 0.900 0.900 peak 1485 spectrum 1 weight 0.11000E+01 volume 0.33398E-02 ppm1 4.683 ppm2 2.854 CV 1 ASSI { 1487} (( segid " " and resid 178 and name HA )) (( segid " " and resid 181 and name HB )) 3.800 1.900 1.900 peak 1487 spectrum 1 weight 0.11000E+01 volume 0.97729E-03 ppm1 4.698 ppm2 1.603 CV 1 ASSI { 1488} (( segid " " and resid 178 and name HA )) ( segid " " and resid 181 and name HD1%) 6.000 5.400 0.000 peak 1488 spectrum 1 weight 0.11000E+01 volume 0.66589E-04 ppm1 4.689 ppm2 0.435 CV 1 ASSI { 1489} (( segid " " and resid 178 and name HA )) (( segid " " and resid 181 and name HG11)) 2.900 1.100 1.100 peak 1489 spectrum 1 weight 0.11000E+01 volume 0.11070E-02 ppm1 4.689 ppm2 0.885 CV 1 ASSI { 1490} (( segid " " and resid 178 and name HA )) (( segid " " and resid 181 and name HG12)) 3.500 1.600 1.600 peak 1490 spectrum 1 weight 0.11000E+01 volume 0.69453E-03 ppm1 4.706 ppm2 0.970 CV 1 ASSI { 1496} (( segid " " and resid 178 and name HB1 )) (( segid " " and resid 181 and name HG12)) 4.900 3.000 1.100 peak 1496 spectrum 1 weight 0.11000E+01 volume 0.52111E-03 ppm1 2.869 ppm2 0.989 CV 1 ASSI { 1497} (( segid " " and resid 178 and name HB1 )) (( segid " " and resid 213 and name HA )) 4.100 2.100 1.900 peak 1497 spectrum 1 weight 0.11000E+01 volume 0.59116E-03 ppm1 2.842 ppm2 4.374 CV 1 ASSI { 1498} (( segid " " and resid 178 and name HB1 )) (( segid " " and resid 213 and name HB1 )) 4.200 2.200 1.800 peak 1498 spectrum 1 weight 0.11000E+01 volume 0.31962E-03 ppm1 2.842 ppm2 3.548 CV 1 ASSI { 1499} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 175 and name HA )) 4.600 2.600 1.400 peak 1499 spectrum 1 weight 0.11000E+01 volume 0.58722E-03 ppm1 3.201 ppm2 3.395 CV 1 ASSI { 1501} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 178 and name HA )) 3.300 1.400 1.400 peak 1501 spectrum 1 weight 0.11000E+01 volume 0.53963E-03 ppm1 3.204 ppm2 4.675 CV 1 ASSI { 1502} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 178 and name HB1 )) 2.400 0.700 0.700 peak 1502 spectrum 1 weight 0.11000E+01 volume 0.17239E-02 ppm1 3.208 ppm2 2.853 CV 1 ASSI { 1503} (( segid " " and resid 178 and name HB2 )) ( segid " " and resid 179 and name HG1%) 4.300 2.300 1.700 peak 1503 spectrum 1 weight 0.11000E+01 volume 0.43336E-03 ppm1 3.199 ppm2 1.053 CV 1 ASSI { 1505} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name HB )) 2.400 0.700 0.700 peak 1505 spectrum 1 weight 0.11000E+01 volume 0.22714E-02 ppm1 3.684 ppm2 2.130 CV 1 ASSI { 1506} (( segid " " and resid 179 and name HA )) ( segid " " and resid 179 and name HG1%) 2.700 0.900 0.900 peak 1506 spectrum 1 weight 0.11000E+01 volume 0.31981E-02 ppm1 3.687 ppm2 1.046 CV 1 ASSI { 1507} (( segid " " and resid 179 and name HA )) ( segid " " and resid 179 and name HG2%) 2.800 1.000 1.000 peak 1507 spectrum 1 weight 0.11000E+01 volume 0.53146E-02 ppm1 3.671 ppm2 0.946 CV 1 ASSI { 1508} (( segid " " and resid 179 and name HA )) (( segid " " and resid 180 and name HA )) 4.500 2.500 1.500 peak 1508 spectrum 1 weight 0.11000E+01 volume 0.34468E-03 ppm1 3.668 ppm2 4.315 CV 1 ASSI { 1509} (( segid " " and resid 179 and name HA )) (( segid " " and resid 182 and name HB )) 2.700 0.900 0.900 peak 1509 spectrum 1 weight 0.11000E+01 volume 0.74907E-03 ppm1 3.677 ppm2 4.489 CV 1 ASSI { 1511} (( segid " " and resid 179 and name HA )) (( segid " " and resid 209 and name HB )) 4.800 4.800 1.200 peak 1511 spectrum 1 weight 0.11000E+01 volume 0.87311E-03 ppm1 3.690 ppm2 2.218 CV 1 ASSI { 1512} (( segid " " and resid 179 and name HA )) ( segid " " and resid 209 and name HG1%) 2.900 1.100 1.100 peak 1512 spectrum 1 weight 0.11000E+01 volume 0.38138E-02 ppm1 3.670 ppm2 0.960 CV 1 ASSI { 1513} (( segid " " and resid 179 and name HA )) ( segid " " and resid 209 and name HG2%) 3.500 1.600 1.600 peak 1513 spectrum 1 weight 0.11000E+01 volume 0.31222E-02 ppm1 3.674 ppm2 1.221 CV 1 ASSI { 1515} (( segid " " and resid 179 and name HB )) (( segid " " and resid 206 and name HA )) 4.100 2.100 1.900 peak 1515 spectrum 1 weight 0.11000E+01 volume 0.49668E-03 ppm1 2.148 ppm2 3.637 CV 1 ASSI { 1516} (( segid " " and resid 179 and name HB )) ( segid " " and resid 209 and name HG1%) 2.200 0.600 0.600 peak 1516 spectrum 1 weight 0.11000E+01 volume 0.42277E-02 ppm1 2.152 ppm2 0.952 CV 1 ASSI { 1517} (( segid " " and resid 179 and name HB )) (( segid " " and resid 210 and name HB1 )) 2.200 2.200 3.800 peak 1517 spectrum 1 weight 0.11000E+01 volume 0.38573E-01 ppm1 2.145 ppm2 2.165 CV 1 ASSI { 1518} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 161 and name HN )) 4.200 2.200 1.800 peak 1518 spectrum 1 weight 0.11000E+01 volume 0.91231E-03 ppm1 1.054 ppm2 8.430 CV 1 ASSI { 1519} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 175 and name HA )) 3.300 1.400 1.400 peak 1519 spectrum 1 weight 0.11000E+01 volume 0.16634E-02 ppm1 1.042 ppm2 3.389 CV 1 ASSI { 1520} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 175 and name HB )) 2.500 2.500 3.500 peak 1520 spectrum 1 weight 0.11000E+01 volume 0.15459E-01 ppm1 1.053 ppm2 2.203 CV 1 ASSI { 1521} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 176 and name HA )) 2.900 1.100 1.100 peak 1521 spectrum 1 weight 0.11000E+01 volume 0.17486E-02 ppm1 1.048 ppm2 4.285 CV 1 ASSI { 1522} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 182 and name HA )) 3.400 3.400 2.600 peak 1522 spectrum 1 weight 0.11000E+01 volume 0.54725E-02 ppm1 1.056 ppm2 4.056 CV 1 ASSI { 1523} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 182 and name HG1 )) 4.200 2.200 1.800 peak 1523 spectrum 1 weight 0.11000E+01 volume 0.20488E-02 ppm1 1.056 ppm2 1.482 CV 1 ASSI { 1524} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 183 and name HB )) 4.400 2.500 1.600 peak 1524 spectrum 1 weight 0.11000E+01 volume 0.16225E-02 ppm1 1.055 ppm2 2.330 CV 1 ASSI { 1525} ( segid " " and resid 179 and name HG1%) ( segid " " and resid 209 and name HG2%) 3.200 1.300 1.300 peak 1525 spectrum 1 weight 0.11000E+01 volume 0.87224E-02 ppm1 1.053 ppm2 1.213 CV 1 ASSI { 1527} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 210 and name HB1 )) 2.900 1.100 1.100 peak 1527 spectrum 1 weight 0.11000E+01 volume 0.79897E-02 ppm1 1.053 ppm2 2.156 CV 1 ASSI { 1528} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 210 and name HN )) 4.300 2.300 1.700 peak 1528 spectrum 1 weight 0.11000E+01 volume 0.73867E-03 ppm1 1.056 ppm2 8.140 CV 1 ASSI { 1529} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 213 and name HB2 )) 3.200 1.300 1.300 peak 1529 spectrum 1 weight 0.11000E+01 volume 0.10440E-02 ppm1 1.045 ppm2 2.838 CV 1 ASSI { 1530} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 213 and name HN )) 2.700 2.700 3.300 peak 1530 spectrum 1 weight 0.11000E+01 volume 0.13589E-01 ppm1 1.053 ppm2 9.218 CV 1 ASSI { 1531} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 176 and name HA )) 3.100 1.200 1.200 peak 1531 spectrum 1 weight 0.11000E+01 volume 0.18623E-02 ppm1 0.959 ppm2 4.295 CV 1 ASSI { 1533} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 179 and name HB )) 2.100 0.500 0.500 peak 1533 spectrum 1 weight 0.11000E+01 volume 0.90355E-02 ppm1 0.947 ppm2 2.151 CV 1 ASSI { 1534} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 181 and name HB )) 4.600 2.700 1.400 peak 1534 spectrum 1 weight 0.11000E+01 volume 0.90155E-03 ppm1 0.949 ppm2 1.635 CV 1 ASSI { 1535} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 182 and name HA )) 3.800 3.800 2.200 peak 1535 spectrum 1 weight 0.11000E+01 volume 0.30094E-02 ppm1 0.942 ppm2 4.094 CV 1 ASSI { 1536} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 182 and name HG1 )) 3.800 3.800 2.200 peak 1536 spectrum 1 weight 0.11000E+01 volume 0.39421E-02 ppm1 0.950 ppm2 1.491 CV 1 ASSI { 1537} ( segid " " and resid 179 and name HG2%) ( segid " " and resid 209 and name HG2%) 3.800 3.800 2.200 peak 1537 spectrum 1 weight 0.11000E+01 volume 0.52078E-02 ppm1 0.956 ppm2 1.267 CV 1 ASSI { 1539} (( segid " " and resid 180 and name HA )) ( segid " " and resid 179 and name HG2%) 3.200 1.300 1.300 peak 1539 spectrum 1 weight 0.11000E+01 volume 0.16294E-02 ppm1 4.310 ppm2 0.956 CV 1 ASSI { 1541} (( segid " " and resid 180 and name HA )) (( segid " " and resid 180 and name HB2 )) 2.700 0.900 0.900 peak 1541 spectrum 1 weight 0.11000E+01 volume 0.40934E-02 ppm1 4.308 ppm2 2.833 CV 1 ASSI { 1542} (( segid " " and resid 180 and name HA )) (( segid " " and resid 182 and name HB )) 3.600 3.600 2.400 peak 1542 spectrum 1 weight 0.11000E+01 volume 0.24252E-02 ppm1 4.330 ppm2 4.491 CV 1 ASSI { 1543} (( segid " " and resid 180 and name HA )) (( segid " " and resid 183 and name HB )) 4.200 2.200 1.800 peak 1543 spectrum 1 weight 0.11000E+01 volume 0.11716E-02 ppm1 4.307 ppm2 2.297 CV 1 ASSI { 1544} (( segid " " and resid 180 and name HA )) (( segid " " and resid 184 and name HG2 )) 3.400 1.400 1.400 peak 1544 spectrum 1 weight 0.11000E+01 volume 0.10704E-02 ppm1 4.332 ppm2 1.450 CV 1 ASSI { 1546} (( segid " " and resid 180 and name HB1 )) (( segid " " and resid 180 and name HA )) 2.800 1.000 1.000 peak 1546 spectrum 1 weight 0.11000E+01 volume 0.33573E-02 ppm1 2.865 ppm2 4.306 CV 1 ASSI { 1547} (( segid " " and resid 180 and name HB1 )) (( segid " " and resid 180 and name HB2 )) 1.700 0.400 0.500 peak 1547 spectrum 1 weight 0.11000E+01 volume 0.23051E-01 ppm1 2.862 ppm2 2.825 CV 1 ASSI { 1549} (( segid " " and resid 180 and name HB1 )) ( segid " " and resid 183 and name HG2%) 4.400 2.400 1.600 peak 1549 spectrum 1 weight 0.11000E+01 volume 0.83519E-03 ppm1 2.864 ppm2 0.946 CV 1 ASSI { 1553} (( segid " " and resid 180 and name HB2 )) (( segid " " and resid 181 and name HG12)) 3.700 1.700 1.700 peak 1553 spectrum 1 weight 0.11000E+01 volume 0.86887E-03 ppm1 2.791 ppm2 0.973 CV 1 ASSI { 1554} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HB )) 2.900 1.100 1.100 peak 1554 spectrum 1 weight 0.11000E+01 volume 0.22397E-02 ppm1 3.766 ppm2 1.617 CV 1 ASSI { 1557} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HG12)) 3.500 1.500 1.500 peak 1557 spectrum 1 weight 0.11000E+01 volume 0.12577E-02 ppm1 3.764 ppm2 0.999 CV 1 ASSI { 1559} (( segid " " and resid 181 and name HA )) (( segid " " and resid 182 and name HN )) 3.700 1.700 1.700 peak 1559 spectrum 1 weight 0.11000E+01 volume 0.65180E-03 ppm1 3.770 ppm2 8.113 CV 1 ASSI { 1560} (( segid " " and resid 181 and name HA )) (( segid " " and resid 184 and name HB1 )) 3.900 1.900 1.900 peak 1560 spectrum 1 weight 0.11000E+01 volume 0.17439E-02 ppm1 3.760 ppm2 1.925 CV 1 ASSI { 1561} (( segid " " and resid 181 and name HA )) (( segid " " and resid 184 and name HB2 )) 2.900 1.100 1.100 peak 1561 spectrum 1 weight 0.11000E+01 volume 0.16952E-02 ppm1 3.762 ppm2 1.977 CV 1 ASSI { 1562} (( segid " " and resid 181 and name HA )) (( segid " " and resid 185 and name HB2 )) 4.700 2.700 1.300 peak 1562 spectrum 1 weight 0.11000E+01 volume 0.61357E-03 ppm1 3.757 ppm2 2.154 CV 1 OR { 1562} (( segid " " and resid 181 and name HA )) (( segid " " and resid 185 and name HB1 )) ASSI { 1563} (( segid " " and resid 181 and name HB )) (( segid " " and resid 161 and name HB1 )) 4.100 2.100 1.900 peak 1563 spectrum 1 weight 0.11000E+01 volume 0.57337E-03 ppm1 1.628 ppm2 2.596 CV 1 ASSI { 1566} (( segid " " and resid 181 and name HB )) (( segid " " and resid 178 and name HN )) 4.300 2.300 1.700 peak 1566 spectrum 1 weight 0.11000E+01 volume 0.96147E-03 ppm1 1.617 ppm2 8.135 CV 1 ASSI { 1567} (( segid " " and resid 181 and name HB )) (( segid " " and resid 180 and name HB2 )) 6.000 5.600 0.000 peak 1567 spectrum 1 weight 0.11000E+01 volume 0.92195E-04 ppm1 1.653 ppm2 2.800 CV 1 ASSI { 1570} (( segid " " and resid 181 and name HB )) (( segid " " and resid 181 and name HG11)) 2.800 1.000 1.000 peak 1570 spectrum 1 weight 0.11000E+01 volume 0.16290E-02 ppm1 1.617 ppm2 0.844 CV 1 ASSI { 1571} (( segid " " and resid 181 and name HB )) (( segid " " and resid 181 and name HG12)) 2.900 1.000 1.000 peak 1571 spectrum 1 weight 0.11000E+01 volume 0.15540E-02 ppm1 1.620 ppm2 1.002 CV 1 ASSI { 1575} ( segid " " and resid 181 and name HD1%) ( segid " " and resid 124 and name HD2%) 3.300 3.300 2.700 peak 1575 spectrum 1 weight 0.11000E+01 volume 0.54243E-02 ppm1 0.406 ppm2 0.558 CV 1 ASSI { 1578} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 177 and name HA )) 3.900 1.900 1.900 peak 1578 spectrum 1 weight 0.11000E+01 volume 0.57314E-03 ppm1 0.416 ppm2 4.591 CV 1 ASSI { 1579} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 178 and name HN )) 4.100 2.100 1.900 peak 1579 spectrum 1 weight 0.11000E+01 volume 0.82180E-03 ppm1 0.417 ppm2 8.147 CV 1 ASSI { 1580} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 180 and name HB1 )) 3.300 1.300 1.300 peak 1580 spectrum 1 weight 0.11000E+01 volume 0.13037E-02 ppm1 0.414 ppm2 2.857 CV 1 ASSI { 1581} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 181 and name HA )) 2.600 0.900 0.900 peak 1581 spectrum 1 weight 0.11000E+01 volume 0.51704E-02 ppm1 0.413 ppm2 3.763 CV 1 ASSI { 1582} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 181 and name HB )) 3.200 1.300 1.300 peak 1582 spectrum 1 weight 0.11000E+01 volume 0.40977E-02 ppm1 0.414 ppm2 1.617 CV 1 ASSI { 1583} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 181 and name HG11)) 2.400 0.700 0.700 peak 1583 spectrum 1 weight 0.11000E+01 volume 0.58136E-02 ppm1 0.405 ppm2 0.849 CV 1 ASSI { 1584} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 181 and name HG12)) 2.300 0.700 0.700 peak 1584 spectrum 1 weight 0.11000E+01 volume 0.65911E-02 ppm1 0.411 ppm2 1.003 CV 1 ASSI { 1585} ( segid " " and resid 181 and name HD1%) ( segid " " and resid 181 and name HG2%) 2.400 0.700 0.700 peak 1585 spectrum 1 weight 0.11000E+01 volume 0.97112E-02 ppm1 0.414 ppm2 0.271 CV 1 ASSI { 1586} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HB1 )) 4.200 2.200 1.800 peak 1586 spectrum 1 weight 0.11000E+01 volume 0.14552E-02 ppm1 0.411 ppm2 1.920 CV 1 ASSI { 1587} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HB2 )) 4.600 4.600 1.400 peak 1587 spectrum 1 weight 0.11000E+01 volume 0.46829E-03 ppm1 0.391 ppm2 1.926 CV 1 ASSI { 1588} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HD1 )) 3.400 3.400 2.600 peak 1588 spectrum 1 weight 0.11000E+01 volume 0.32878E-02 ppm1 0.419 ppm2 1.655 CV 1 OR { 1588} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HD2 )) ASSI { 1589} (( segid " " and resid 181 and name HG11)) (( segid " " and resid 181 and name HA )) 4.200 2.200 1.800 peak 1589 spectrum 1 weight 0.11000E+01 volume 0.90148E-03 ppm1 0.852 ppm2 3.759 CV 1 ASSI { 1592} (( segid " " and resid 181 and name HG11)) (( segid " " and resid 181 and name HG12)) 2.100 0.600 0.600 peak 1592 spectrum 1 weight 0.11000E+01 volume 0.27452E-02 ppm1 0.868 ppm2 1.027 CV 1 ASSI { 1601} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 124 and name HA )) 4.300 2.300 1.700 peak 1601 spectrum 1 weight 0.11000E+01 volume 0.64693E-03 ppm1 0.250 ppm2 4.359 CV 1 ASSI { 1602} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 127 and name HB1 )) 3.400 1.400 1.400 peak 1602 spectrum 1 weight 0.11000E+01 volume 0.15628E-02 ppm1 0.236 ppm2 2.869 CV 1 ASSI { 1603} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 161 and name HA )) 4.600 2.600 1.400 peak 1603 spectrum 1 weight 0.11000E+01 volume 0.59738E-03 ppm1 0.247 ppm2 5.585 CV 1 ASSI { 1604} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 161 and name HB1 )) 2.700 0.900 0.900 peak 1604 spectrum 1 weight 0.11000E+01 volume 0.44596E-02 ppm1 0.247 ppm2 2.608 CV 1 ASSI { 1607} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 178 and name HA )) 4.200 2.200 1.800 peak 1607 spectrum 1 weight 0.11000E+01 volume 0.13991E-02 ppm1 0.246 ppm2 4.687 CV 1 ASSI { 1608} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 178 and name HN )) 4.100 4.100 1.900 peak 1608 spectrum 1 weight 0.11000E+01 volume 0.17259E-02 ppm1 0.252 ppm2 8.133 CV 1 ASSI { 1609} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HA )) 2.700 0.900 0.900 peak 1609 spectrum 1 weight 0.11000E+01 volume 0.37048E-02 ppm1 0.246 ppm2 3.763 CV 1 ASSI { 1610} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HB )) 2.400 0.700 0.700 peak 1610 spectrum 1 weight 0.11000E+01 volume 0.60859E-02 ppm1 0.246 ppm2 1.616 CV 1 ASSI { 1612} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HG11)) 2.700 0.900 0.900 peak 1612 spectrum 1 weight 0.11000E+01 volume 0.32819E-02 ppm1 0.232 ppm2 0.870 CV 1 ASSI { 1613} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HG12)) 3.400 1.500 1.500 peak 1613 spectrum 1 weight 0.11000E+01 volume 0.25032E-02 ppm1 0.257 ppm2 0.971 CV 1 ASSI { 1614} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 182 and name HA )) 3.600 1.600 1.600 peak 1614 spectrum 1 weight 0.11000E+01 volume 0.17021E-02 ppm1 0.249 ppm2 4.090 CV 1 ASSI { 1615} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 184 and name HB2 )) 3.700 1.800 1.800 peak 1615 spectrum 1 weight 0.11000E+01 volume 0.10143E-02 ppm1 0.235 ppm2 1.958 CV 1 ASSI { 1616} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 184 and name HE1 )) 4.000 2.000 2.000 peak 1616 spectrum 1 weight 0.11000E+01 volume 0.17421E-02 ppm1 0.249 ppm2 2.897 CV 1 OR { 1616} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 184 and name HE2 )) ASSI { 1617} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 185 and name HB1 )) 3.800 1.800 1.800 peak 1617 spectrum 1 weight 0.11000E+01 volume 0.14957E-02 ppm1 0.248 ppm2 2.129 CV 1 OR { 1617} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 185 and name HB2 )) ASSI { 1618} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 185 and name HG2 )) 3.300 1.300 1.300 peak 1618 spectrum 1 weight 0.11000E+01 volume 0.12725E-02 ppm1 0.245 ppm2 2.505 CV 1 ASSI { 1619} (( segid " " and resid 182 and name HA )) ( segid " " and resid 209 and name HG2%) 5.200 3.400 0.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.54494E-03 ppm1 4.076 ppm2 1.233 CV 1 ASSI { 1620} (( segid " " and resid 182 and name HA )) ( segid " " and resid 161 and name HD% ) 2.900 2.900 3.100 peak 1620 spectrum 1 weight 0.11000E+01 volume 0.11515E-02 ppm1 4.106 ppm2 6.928 CV 1 ASSI { 1621} (( segid " " and resid 182 and name HA )) (( segid " " and resid 179 and name HA )) 4.500 2.600 1.500 peak 1621 spectrum 1 weight 0.11000E+01 volume 0.49362E-03 ppm1 4.103 ppm2 3.676 CV 1 ASSI { 1622} (( segid " " and resid 182 and name HA )) (( segid " " and resid 179 and name HB )) 5.000 5.000 1.000 peak 1622 spectrum 1 weight 0.11000E+01 volume 0.51962E-03 ppm1 4.083 ppm2 2.091 CV 1 ASSI { 1623} (( segid " " and resid 182 and name HA )) (( segid " " and resid 181 and name HB )) 3.100 1.200 1.200 peak 1623 spectrum 1 weight 0.11000E+01 volume 0.19131E-02 ppm1 4.064 ppm2 1.624 CV 1 ASSI { 1624} (( segid " " and resid 182 and name HA )) (( segid " " and resid 181 and name HG11)) 1.700 1.700 4.300 peak 1624 spectrum 1 weight 0.11000E+01 volume 0.53417E-02 ppm1 4.063 ppm2 0.887 CV 1 ASSI { 1625} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HB )) 2.700 0.900 0.900 peak 1625 spectrum 1 weight 0.11000E+01 volume 0.20608E-02 ppm1 4.100 ppm2 4.508 CV 1 ASSI { 1626} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HG1 )) 2.700 0.900 0.900 peak 1626 spectrum 1 weight 0.11000E+01 volume 0.19738E-02 ppm1 4.101 ppm2 1.480 CV 1 ASSI { 1627} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HN )) 3.100 1.200 1.200 peak 1627 spectrum 1 weight 0.11000E+01 volume 0.85418E-03 ppm1 4.109 ppm2 8.119 CV 1 ASSI { 1628} (( segid " " and resid 182 and name HA )) (( segid " " and resid 184 and name HB1 )) 5.100 5.100 0.900 peak 1628 spectrum 1 weight 0.11000E+01 volume 0.76610E-03 ppm1 4.104 ppm2 1.946 CV 1 ASSI { 1629} (( segid " " and resid 182 and name HA )) (( segid " " and resid 184 and name HB2 )) 4.600 2.700 1.400 peak 1629 spectrum 1 weight 0.11000E+01 volume 0.39021E-03 ppm1 4.056 ppm2 1.970 CV 1 ASSI { 1630} (( segid " " and resid 182 and name HA )) (( segid " " and resid 186 and name HD2 )) 3.600 1.600 1.600 peak 1630 spectrum 1 weight 0.11000E+01 volume 0.80163E-03 ppm1 4.100 ppm2 6.769 CV 1 ASSI { 1631} (( segid " " and resid 182 and name HB )) ( segid " " and resid 161 and name HD% ) 4.100 2.100 1.900 peak 1631 spectrum 1 weight 0.11000E+01 volume 0.61361E-03 ppm1 4.493 ppm2 6.915 CV 1 ASSI { 1635} (( segid " " and resid 182 and name HB )) ( segid " " and resid 209 and name HG1%) 3.300 1.300 1.300 peak 1635 spectrum 1 weight 0.11000E+01 volume 0.82035E-03 ppm1 4.508 ppm2 0.950 CV 1 ASSI { 1637} (( segid " " and resid 182 and name HB )) (( segid " " and resid 210 and name HN )) 5.000 5.000 1.000 peak 1637 spectrum 1 weight 0.11000E+01 volume 0.80220E-03 ppm1 4.524 ppm2 8.155 CV 1 ASSI { 1639} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 160 and name HB )) 3.700 1.700 1.700 peak 1639 spectrum 1 weight 0.11000E+01 volume 0.16539E-02 ppm1 1.481 ppm2 2.608 CV 1 ASSI { 1640} (( segid " " and resid 182 and name HG1 )) ( segid " " and resid 160 and name HG1%) 2.600 0.900 0.900 peak 1640 spectrum 1 weight 0.11000E+01 volume 0.68614E-02 ppm1 1.480 ppm2 0.938 CV 1 ASSI { 1642} (( segid " " and resid 182 and name HG1 )) ( segid " " and resid 161 and name HD% ) 2.700 0.900 0.900 peak 1642 spectrum 1 weight 0.11000E+01 volume 0.15864E-02 ppm1 1.480 ppm2 6.913 CV 1 ASSI { 1644} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 179 and name HA )) 3.700 1.700 1.700 peak 1644 spectrum 1 weight 0.11000E+01 volume 0.11237E-02 ppm1 1.482 ppm2 3.651 CV 1 ASSI { 1646} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 182 and name HB )) 2.300 0.700 0.700 peak 1646 spectrum 1 weight 0.11000E+01 volume 0.35877E-02 ppm1 1.481 ppm2 4.510 CV 1 ASSI { 1647} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 185 and name HB2 )) 3.900 1.900 1.900 peak 1647 spectrum 1 weight 0.11000E+01 volume 0.11241E-02 ppm1 1.484 ppm2 2.147 CV 1 OR { 1647} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 185 and name HB1 )) ASSI { 1648} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 185 and name HG1 )) 3.700 1.800 1.800 peak 1648 spectrum 1 weight 0.11000E+01 volume 0.94685E-03 ppm1 1.483 ppm2 2.376 CV 1 ASSI { 1649} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 186 and name HB1 )) 4.600 4.600 1.400 peak 1649 spectrum 1 weight 0.11000E+01 volume 0.79920E-03 ppm1 1.483 ppm2 3.158 CV 1 ASSI { 1650} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 209 and name HB )) 4.800 2.800 1.200 peak 1650 spectrum 1 weight 0.11000E+01 volume 0.10787E-02 ppm1 1.483 ppm2 2.179 CV 1 ASSI { 1651} (( segid " " and resid 182 and name HG1 )) ( segid " " and resid 209 and name HG2%) 3.000 1.200 1.200 peak 1651 spectrum 1 weight 0.11000E+01 volume 0.44275E-02 ppm1 1.481 ppm2 1.236 CV 1 ASSI { 1652} (( segid " " and resid 183 and name HA )) (( segid " " and resid 182 and name HG1 )) 4.200 2.200 1.800 peak 1652 spectrum 1 weight 0.11000E+01 volume 0.13395E-02 ppm1 3.607 ppm2 1.490 CV 1 ASSI { 1653} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HB )) 2.900 1.000 1.000 peak 1653 spectrum 1 weight 0.11000E+01 volume 0.14124E-02 ppm1 3.609 ppm2 2.299 CV 1 ASSI { 1655} (( segid " " and resid 183 and name HA )) ( segid " " and resid 183 and name HG2%) 2.900 1.100 1.100 peak 1655 spectrum 1 weight 0.11000E+01 volume 0.48699E-02 ppm1 3.612 ppm2 0.990 CV 1 ASSI { 1656} (( segid " " and resid 183 and name HA )) (( segid " " and resid 186 and name HB1 )) 3.900 1.900 1.900 peak 1656 spectrum 1 weight 0.11000E+01 volume 0.10951E-02 ppm1 3.615 ppm2 3.149 CV 1 ASSI { 1657} (( segid " " and resid 183 and name HA )) (( segid " " and resid 186 and name HB2 )) 3.400 1.500 1.500 peak 1657 spectrum 1 weight 0.11000E+01 volume 0.64256E-03 ppm1 3.613 ppm2 3.372 CV 1 ASSI { 1658} (( segid " " and resid 183 and name HA )) ( segid " " and resid 209 and name HG2%) 4.400 2.400 1.600 peak 1658 spectrum 1 weight 0.11000E+01 volume 0.74665E-03 ppm1 3.618 ppm2 1.211 CV 1 ASSI { 1662} (( segid " " and resid 183 and name HB )) ( segid " " and resid 183 and name HG2%) 2.400 0.700 0.700 peak 1662 spectrum 1 weight 0.11000E+01 volume 0.42306E-02 ppm1 2.300 ppm2 0.981 CV 1 ASSI { 1663} (( segid " " and resid 183 and name HB )) (( segid " " and resid 184 and name HG1 )) 5.600 5.600 0.400 peak 1663 spectrum 1 weight 0.11000E+01 volume 0.49790E-03 ppm1 2.284 ppm2 1.505 CV 1 ASSI { 1664} ( segid " " and resid 183 and name HG1%) ( segid " " and resid 160 and name HG2%) 3.500 3.500 2.500 peak 1664 spectrum 1 weight 0.11000E+01 volume 0.72313E-02 ppm1 1.029 ppm2 0.762 CV 1 ASSI { 1665} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 179 and name HB )) 2.100 0.500 0.500 peak 1665 spectrum 1 weight 0.11000E+01 volume 0.88905E-02 ppm1 1.032 ppm2 2.112 CV 1 ASSI { 1666} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 180 and name HA )) 3.400 1.400 1.400 peak 1666 spectrum 1 weight 0.11000E+01 volume 0.11728E-02 ppm1 1.024 ppm2 4.313 CV 1 ASSI { 1667} ( segid " " and resid 183 and name HG1%) ( segid " " and resid 181 and name HD1%) 3.600 3.600 2.400 peak 1667 spectrum 1 weight 0.11000E+01 volume 0.33932E-02 ppm1 1.033 ppm2 0.414 CV 1 ASSI { 1668} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 182 and name HB )) 3.700 1.800 1.800 peak 1668 spectrum 1 weight 0.11000E+01 volume 0.89744E-03 ppm1 1.045 ppm2 4.515 CV 1 ASSI { 1669} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 183 and name HA )) 2.400 0.700 0.700 peak 1669 spectrum 1 weight 0.11000E+01 volume 0.91553E-02 ppm1 1.031 ppm2 3.599 CV 1 ASSI { 1670} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 183 and name HB )) 2.100 0.600 0.600 peak 1670 spectrum 1 weight 0.11000E+01 volume 0.63243E-02 ppm1 1.039 ppm2 2.299 CV 1 ASSI { 1671} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 184 and name HD1 )) 4.000 2.000 2.000 peak 1671 spectrum 1 weight 0.11000E+01 volume 0.11403E-02 ppm1 1.034 ppm2 1.655 CV 1 OR { 1671} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 184 and name HD2 )) ASSI { 1672} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 185 and name HG2 )) 4.400 4.400 1.600 peak 1672 spectrum 1 weight 0.11000E+01 volume 0.14336E-02 ppm1 1.039 ppm2 2.556 CV 1 ASSI { 1673} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 186 and name HB1 )) 4.200 2.200 1.800 peak 1673 spectrum 1 weight 0.11000E+01 volume 0.11415E-02 ppm1 1.028 ppm2 3.148 CV 1 ASSI { 1674} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 187 and name HB )) 4.100 2.100 1.900 peak 1674 spectrum 1 weight 0.11000E+01 volume 0.87899E-03 ppm1 1.027 ppm2 4.271 CV 1 ASSI { 1675} ( segid " " and resid 183 and name HG1%) ( segid " " and resid 187 and name HG2%) 3.400 1.500 1.500 peak 1675 spectrum 1 weight 0.11000E+01 volume 0.33133E-02 ppm1 1.037 ppm2 1.303 CV 1 OR { 1675} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 187 and name HG1 )) ASSI { 1678} (( segid " " and resid 184 and name HA )) ( segid " " and resid 183 and name HG2%) 4.200 4.200 1.800 peak 1678 spectrum 1 weight 0.11000E+01 volume 0.11318E-02 ppm1 4.046 ppm2 0.974 CV 1 ASSI { 1679} (( segid " " and resid 184 and name HA )) (( segid " " and resid 184 and name HB1 )) 2.200 0.600 0.600 peak 1679 spectrum 1 weight 0.11000E+01 volume 0.57640E-02 ppm1 4.051 ppm2 1.935 CV 1 ASSI { 1680} (( segid " " and resid 184 and name HA )) (( segid " " and resid 184 and name HB2 )) 2.600 2.600 3.400 peak 1680 spectrum 1 weight 0.11000E+01 volume 0.57640E-02 ppm1 4.053 ppm2 1.955 CV 1 ASSI { 1683} (( segid " " and resid 184 and name HA )) (( segid " " and resid 187 and name HB )) 3.400 3.400 2.600 peak 1683 spectrum 1 weight 0.11000E+01 volume 0.15543E-02 ppm1 4.061 ppm2 4.261 CV 1 ASSI { 1684} (( segid " " and resid 184 and name HA )) ( segid " " and resid 187 and name HG2%) 3.600 3.600 2.400 peak 1684 spectrum 1 weight 0.11000E+01 volume 0.71384E-03 ppm1 4.062 ppm2 1.310 CV 1 ASSI { 1687} (( segid " " and resid 184 and name HB2 )) ( segid " " and resid 183 and name HG1%) 4.700 2.700 1.300 peak 1687 spectrum 1 weight 0.11000E+01 volume 0.80267E-03 ppm1 1.965 ppm2 1.060 CV 1 ASSI { 1688} (( segid " " and resid 184 and name HB2 )) ( segid " " and resid 183 and name HG2%) 4.300 2.300 1.700 peak 1688 spectrum 1 weight 0.11000E+01 volume 0.16035E-02 ppm1 1.965 ppm2 0.970 CV 1 ASSI { 1689} (( segid " " and resid 184 and name HB2 )) ( segid " " and resid 187 and name HG2%) 4.700 2.700 1.300 peak 1689 spectrum 1 weight 0.11000E+01 volume 0.68381E-03 ppm1 1.965 ppm2 1.311 CV 1 ASSI { 1690} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 181 and name HA )) 4.000 2.000 2.000 peak 1690 spectrum 1 weight 0.11000E+01 volume 0.12116E-02 ppm1 1.653 ppm2 3.805 CV 1 OR { 1690} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 181 and name HA )) ASSI { 1692} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 181 and name HG11)) 2.000 2.000 4.000 peak 1692 spectrum 1 weight 0.11000E+01 volume 0.18551E-02 ppm1 1.655 ppm2 0.871 CV 1 OR { 1692} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 181 and name HG11)) ASSI { 1693} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 183 and name HB )) 5.200 5.200 0.800 peak 1693 spectrum 1 weight 0.11000E+01 volume 0.36062E-03 ppm1 1.656 ppm2 2.254 CV 1 OR { 1693} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 183 and name HB )) ASSI { 1694} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 184 and name HA )) 2.500 0.800 0.800 peak 1694 spectrum 1 weight 0.11000E+01 volume 0.24025E-02 ppm1 1.670 ppm2 4.053 CV 1 OR { 1694} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 184 and name HA )) ASSI { 1695} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 184 and name HB2 )) 2.800 1.000 1.000 peak 1695 spectrum 1 weight 0.11000E+01 volume 0.64116E-02 ppm1 1.660 ppm2 1.967 CV 1 OR { 1695} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 184 and name HB2 )) ASSI { 1697} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 185 and name HG1 )) 5.700 5.700 0.300 peak 1697 spectrum 1 weight 0.11000E+01 volume 0.48173E-03 ppm1 1.656 ppm2 2.344 CV 1 OR { 1697} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 185 and name HG1 )) ASSI { 1698} (( segid " " and resid 184 and name HD2 )) ( segid " " and resid 187 and name HG2%) 3.300 1.400 1.400 peak 1698 spectrum 1 weight 0.11000E+01 volume 0.24611E-02 ppm1 1.660 ppm2 1.267 CV 1 OR { 1698} (( segid " " and resid 184 and name HD1 )) ( segid " " and resid 187 and name HG2%) ASSI { 1699} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 188 and name HA )) 4.100 4.100 1.900 peak 1699 spectrum 1 weight 0.11000E+01 volume 0.24559E-02 ppm1 1.642 ppm2 4.060 CV 1 OR { 1699} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 188 and name HA )) ASSI { 1700} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 181 and name HA )) 4.100 2.100 1.900 peak 1700 spectrum 1 weight 0.11000E+01 volume 0.97413E-03 ppm1 2.914 ppm2 3.789 CV 1 OR { 1700} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 181 and name HA )) ASSI { 1701} (( segid " " and resid 184 and name HE1 )) ( segid " " and resid 181 and name HD1%) 2.300 2.300 3.700 peak 1701 spectrum 1 weight 0.11000E+01 volume 0.87233E-03 ppm1 2.916 ppm2 0.427 CV 1 OR { 1701} (( segid " " and resid 184 and name HE2 )) ( segid " " and resid 181 and name HD1%) ASSI { 1702} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 181 and name HG11)) 2.200 2.200 3.800 peak 1702 spectrum 1 weight 0.11000E+01 volume 0.10459E-02 ppm1 2.915 ppm2 0.890 CV 1 OR { 1702} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 181 and name HG11)) ASSI { 1703} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 183 and name HA )) 4.800 2.900 1.200 peak 1703 spectrum 1 weight 0.11000E+01 volume 0.64911E-03 ppm1 2.919 ppm2 3.606 CV 1 OR { 1703} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 183 and name HA )) ASSI { 1704} (( segid " " and resid 184 and name HE1 )) ( segid " " and resid 183 and name HG1%) 3.700 1.700 1.700 peak 1704 spectrum 1 weight 0.11000E+01 volume 0.21314E-02 ppm1 2.918 ppm2 1.042 CV 1 OR { 1704} (( segid " " and resid 184 and name HE2 )) ( segid " " and resid 183 and name HG1%) ASSI { 1705} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 184 and name HA )) 4.700 2.700 1.300 peak 1705 spectrum 1 weight 0.11000E+01 volume 0.11262E-02 ppm1 2.947 ppm2 4.089 CV 1 OR { 1705} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 184 and name HA )) ASSI { 1706} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 184 and name HB1 )) 4.200 2.200 1.800 peak 1706 spectrum 1 weight 0.11000E+01 volume 0.16889E-02 ppm1 2.941 ppm2 1.943 CV 1 OR { 1706} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 184 and name HB1 )) ASSI { 1707} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 184 and name HB2 )) 4.200 2.200 1.800 peak 1707 spectrum 1 weight 0.11000E+01 volume 0.18759E-02 ppm1 2.933 ppm2 1.968 CV 1 OR { 1707} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 184 and name HB2 )) ASSI { 1708} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 184 and name HD1 )) 2.100 0.500 0.500 peak 1708 spectrum 1 weight 0.11000E+01 volume 0.12004E-01 ppm1 2.919 ppm2 1.629 CV 1 OR { 1708} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 184 and name HD2 )) OR { 1708} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 184 and name HD1 )) OR { 1708} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 184 and name HD2 )) ASSI { 1709} (( segid " " and resid 184 and name HE2 )) ( segid " " and resid 187 and name HG2%) 3.700 1.700 1.700 peak 1709 spectrum 1 weight 0.11000E+01 volume 0.19641E-02 ppm1 2.954 ppm2 1.320 CV 1 OR { 1709} (( segid " " and resid 184 and name HE1 )) ( segid " " and resid 187 and name HG2%) ASSI { 1710} (( segid " " and resid 184 and name HG1 )) ( segid " " and resid 183 and name HG1%) 4.700 2.800 1.300 peak 1710 spectrum 1 weight 0.11000E+01 volume 0.10063E-02 ppm1 1.499 ppm2 1.055 CV 1 ASSI { 1711} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HA )) 3.700 1.700 1.700 peak 1711 spectrum 1 weight 0.11000E+01 volume 0.13591E-02 ppm1 1.492 ppm2 4.052 CV 1 ASSI { 1712} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HB1 )) 2.400 0.700 0.700 peak 1712 spectrum 1 weight 0.11000E+01 volume 0.29444E-02 ppm1 1.509 ppm2 1.949 CV 1 ASSI { 1713} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HD1 )) 2.100 0.600 0.600 peak 1713 spectrum 1 weight 0.11000E+01 volume 0.13713E-01 ppm1 1.509 ppm2 1.662 CV 1 OR { 1713} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HD2 )) ASSI { 1714} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HE1 )) 3.100 1.200 1.200 peak 1714 spectrum 1 weight 0.11000E+01 volume 0.20822E-02 ppm1 1.513 ppm2 2.931 CV 1 OR { 1714} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HE2 )) ASSI { 1715} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HG2 )) 1.400 0.300 0.800 peak 1715 spectrum 1 weight 0.11000E+01 volume 0.34691E-01 ppm1 1.509 ppm2 1.428 CV 1 ASSI { 1716} (( segid " " and resid 184 and name HG2 )) ( segid " " and resid 183 and name HG1%) 4.000 2.000 2.000 peak 1716 spectrum 1 weight 0.11000E+01 volume 0.10894E-02 ppm1 1.426 ppm2 1.051 CV 1 ASSI { 1717} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HA )) 3.400 1.400 1.400 peak 1717 spectrum 1 weight 0.11000E+01 volume 0.24952E-02 ppm1 1.411 ppm2 4.063 CV 1 ASSI { 1718} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HB2 )) 2.200 0.600 0.600 peak 1718 spectrum 1 weight 0.11000E+01 volume 0.41749E-02 ppm1 1.416 ppm2 1.958 CV 1 ASSI { 1719} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HD2 )) 1.900 1.900 4.100 peak 1719 spectrum 1 weight 0.11000E+01 volume 0.17428E-01 ppm1 1.408 ppm2 1.662 CV 1 OR { 1719} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HD1 )) ASSI { 1720} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HE1 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.11000E+01 volume 0.23746E-02 ppm1 1.412 ppm2 2.912 CV 1 OR { 1720} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HE2 )) ASSI { 1721} (( segid " " and resid 185 and name HB1 )) ( segid " " and resid 188 and name HG2%) 4.400 2.400 1.600 peak 1721 spectrum 1 weight 0.11000E+01 volume 0.78961E-03 ppm1 2.167 ppm2 0.771 CV 1 OR { 1721} (( segid " " and resid 185 and name HB2 )) ( segid " " and resid 188 and name HG2%) ASSI { 1722} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 181 and name HB )) 4.100 2.100 1.900 peak 1722 spectrum 1 weight 0.11000E+01 volume 0.88339E-03 ppm1 2.165 ppm2 1.623 CV 1 OR { 1722} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 181 and name HB )) ASSI { 1723} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 183 and name HA )) 4.600 2.600 1.400 peak 1723 spectrum 1 weight 0.11000E+01 volume 0.42898E-03 ppm1 2.174 ppm2 3.637 CV 1 OR { 1723} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 183 and name HA )) ASSI { 1724} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 184 and name HG1 )) 5.100 3.200 0.900 peak 1724 spectrum 1 weight 0.11000E+01 volume 0.11245E-02 ppm1 2.170 ppm2 1.500 CV 1 OR { 1724} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 184 and name HG1 )) ASSI { 1725} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 185 and name HA )) 2.800 1.000 1.000 peak 1725 spectrum 1 weight 0.11000E+01 volume 0.33238E-02 ppm1 2.144 ppm2 3.986 CV 1 OR { 1725} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 185 and name HA )) ASSI { 1726} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 185 and name HG2 )) 2.100 0.500 0.500 peak 1726 spectrum 1 weight 0.11000E+01 volume 0.19871E-01 ppm1 2.167 ppm2 2.509 CV 1 OR { 1726} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 185 and name HG2 )) ASSI { 1727} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 186 and name HA )) 3.900 1.900 1.900 peak 1727 spectrum 1 weight 0.11000E+01 volume 0.55148E-03 ppm1 2.149 ppm2 4.602 CV 1 OR { 1727} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HA )) ASSI { 1728} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 186 and name HB1 )) 4.800 2.900 1.200 peak 1728 spectrum 1 weight 0.11000E+01 volume 0.55196E-03 ppm1 2.163 ppm2 3.153 CV 1 OR { 1728} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HB1 )) ASSI { 1729} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 186 and name HE1 )) 4.500 2.500 1.500 peak 1729 spectrum 1 weight 0.11000E+01 volume 0.50792E-03 ppm1 2.158 ppm2 7.819 CV 1 OR { 1729} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HE1 )) ASSI { 1735} (( segid " " and resid 186 and name HA )) (( segid " " and resid 189 and name HB )) 3.500 3.500 2.500 peak 1735 spectrum 1 weight 0.11000E+01 volume 0.14164E-02 ppm1 4.588 ppm2 4.293 CV 1 ASSI { 1736} (( segid " " and resid 186 and name HA )) ( segid " " and resid 189 and name HG2%) 3.500 1.500 1.500 peak 1736 spectrum 1 weight 0.11000E+01 volume 0.11580E-02 ppm1 4.588 ppm2 1.303 CV 1 ASSI { 1737} (( segid " " and resid 186 and name HA )) (( segid " " and resid 190 and name HB )) 3.100 3.100 2.900 peak 1737 spectrum 1 weight 0.11000E+01 volume 0.10155E-02 ppm1 4.588 ppm2 4.428 CV 1 ASSI { 1739} (( segid " " and resid 186 and name HB1 )) (( segid " " and resid 186 and name HA )) 3.400 1.400 1.400 peak 1739 spectrum 1 weight 0.11000E+01 volume 0.73162E-03 ppm1 3.142 ppm2 4.576 CV 1 ASSI { 1740} (( segid " " and resid 186 and name HB1 )) (( segid " " and resid 186 and name HB2 )) 2.400 0.700 0.700 peak 1740 spectrum 1 weight 0.11000E+01 volume 0.16674E-02 ppm1 3.143 ppm2 3.385 CV 1 ASSI { 1741} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 187 and name HG2%) 5.200 3.400 0.800 peak 1741 spectrum 1 weight 0.11000E+01 volume 0.32253E-03 ppm1 3.141 ppm2 1.281 CV 1 OR { 1741} (( segid " " and resid 186 and name HB1 )) (( segid " " and resid 187 and name HG1 )) ASSI { 1742} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 205 and name HE% ) 4.700 2.700 1.300 peak 1742 spectrum 1 weight 0.11000E+01 volume 0.34390E-03 ppm1 3.153 ppm2 1.505 CV 1 ASSI { 1743} (( segid " " and resid 186 and name HB2 )) (( segid " " and resid 186 and name HA )) 3.700 1.700 1.700 peak 1743 spectrum 1 weight 0.11000E+01 volume 0.72598E-03 ppm1 3.392 ppm2 4.576 CV 1 ASSI { 1745} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HG1 )) 2.700 0.900 0.900 peak 1745 spectrum 1 weight 0.11000E+01 volume 0.56662E-02 ppm1 4.184 ppm2 1.307 CV 1 OR { 1745} (( segid " " and resid 187 and name HA )) ( segid " " and resid 187 and name HG2%) ASSI { 1746} (( segid " " and resid 187 and name HA )) (( segid " " and resid 188 and name HA )) 4.700 2.700 1.300 peak 1746 spectrum 1 weight 0.11000E+01 volume 0.23149E-03 ppm1 4.182 ppm2 4.042 CV 1 ASSI { 1747} (( segid " " and resid 187 and name HA )) (( segid " " and resid 191 and name HG1 )) 2.900 2.900 3.100 peak 1747 spectrum 1 weight 0.11000E+01 volume 0.27629E-02 ppm1 4.188 ppm2 1.366 CV 1 OR { 1747} (( segid " " and resid 187 and name HA )) ( segid " " and resid 191 and name HG2%) ASSI { 1748} (( segid " " and resid 187 and name HB )) (( segid " " and resid 186 and name HA )) 4.000 2.000 2.000 peak 1748 spectrum 1 weight 0.11000E+01 volume 0.17730E-02 ppm1 4.258 ppm2 4.581 CV 1 ASSI { 1750} (( segid " " and resid 187 and name HB )) ( segid " " and resid 190 and name HG2%) 4.400 2.400 1.600 peak 1750 spectrum 1 weight 0.11000E+01 volume 0.65825E-03 ppm1 4.261 ppm2 0.908 CV 1 ASSI { 1751} (( segid " " and resid 187 and name HB )) ( segid " " and resid 191 and name HG2%) 2.900 1.100 1.100 peak 1751 spectrum 1 weight 0.11000E+01 volume 0.57636E-02 ppm1 4.251 ppm2 1.336 CV 1 OR { 1751} (( segid " " and resid 187 and name HB )) (( segid " " and resid 191 and name HG1 )) ASSI { 1754} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 184 and name HE2 )) 3.500 3.500 2.500 peak 1754 spectrum 1 weight 0.11000E+01 volume 0.11831E-02 ppm1 1.304 ppm2 2.972 CV 1 ASSI { 1755} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 186 and name HA )) 4.100 2.100 1.900 peak 1755 spectrum 1 weight 0.11000E+01 volume 0.13232E-02 ppm1 1.303 ppm2 4.576 CV 1 OR { 1755} (( segid " " and resid 187 and name HG1 )) (( segid " " and resid 186 and name HA )) ASSI { 1756} (( segid " " and resid 187 and name HG1 )) (( segid " " and resid 187 and name HB )) 2.000 0.500 0.500 peak 1756 spectrum 1 weight 0.11000E+01 volume 0.19362E-01 ppm1 1.301 ppm2 4.278 CV 1 OR { 1756} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 187 and name HB )) ASSI { 1757} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 188 and name HA )) 2.500 2.500 3.500 peak 1757 spectrum 1 weight 0.11000E+01 volume 0.10828E-01 ppm1 1.299 ppm2 4.096 CV 1 ASSI { 1758} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 188 and name HB )) 4.900 3.000 1.100 peak 1758 spectrum 1 weight 0.11000E+01 volume 0.70105E-03 ppm1 1.312 ppm2 2.228 CV 1 ASSI { 1759} (( segid " " and resid 187 and name HG1 )) ( segid " " and resid 190 and name HG2%) 3.200 1.200 1.200 peak 1759 spectrum 1 weight 0.11000E+01 volume 0.55349E-02 ppm1 1.300 ppm2 0.937 CV 1 OR { 1759} ( segid " " and resid 187 and name HG2%) ( segid " " and resid 190 and name HG2%) ASSI { 1760} (( segid " " and resid 187 and name HG1 )) ( segid " " and resid 202 and name HD1%) 3.800 1.800 1.800 peak 1760 spectrum 1 weight 0.11000E+01 volume 0.80440E-03 ppm1 1.297 ppm2 0.728 CV 1 OR { 1760} ( segid " " and resid 187 and name HG2%) ( segid " " and resid 202 and name HD1%) ASSI { 1761} (( segid " " and resid 187 and name HG1 )) ( segid " " and resid 204 and name HD1%) 4.200 2.200 1.800 peak 1761 spectrum 1 weight 0.11000E+01 volume 0.96889E-03 ppm1 1.299 ppm2 0.619 CV 1 OR { 1761} ( segid " " and resid 187 and name HG2%) ( segid " " and resid 204 and name HD1%) ASSI { 1762} (( segid " " and resid 187 and name HG1 )) ( segid " " and resid 205 and name HE% ) 2.300 0.600 0.600 peak 1762 spectrum 1 weight 0.11000E+01 volume 0.86414E-02 ppm1 1.304 ppm2 1.491 CV 1 OR { 1762} ( segid " " and resid 187 and name HG2%) ( segid " " and resid 205 and name HE% ) ASSI { 1767} (( segid " " and resid 188 and name HA )) ( segid " " and resid 192 and name HG2%) 3.500 1.600 1.600 peak 1767 spectrum 1 weight 0.11000E+01 volume 0.10413E-02 ppm1 4.026 ppm2 1.292 CV 1 OR { 1767} (( segid " " and resid 188 and name HA )) (( segid " " and resid 192 and name HG1 )) ASSI { 1768} (( segid " " and resid 188 and name HB )) (( segid " " and resid 188 and name HA )) 2.600 0.900 0.900 peak 1768 spectrum 1 weight 0.11000E+01 volume 0.42585E-02 ppm1 2.225 ppm2 4.033 CV 1 ASSI { 1769} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 186 and name HB1 )) 4.400 2.400 1.600 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.80472E-03 ppm1 1.224 ppm2 3.137 CV 1 ASSI { 1770} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HB1 )) 3.500 1.500 1.500 peak 1770 spectrum 1 weight 0.11000E+01 volume 0.83947E-03 ppm1 1.224 ppm2 1.936 CV 1 ASSI { 1771} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HE2 )) 4.200 2.200 1.800 peak 1771 spectrum 1 weight 0.11000E+01 volume 0.86620E-03 ppm1 1.221 ppm2 2.947 CV 1 ASSI { 1773} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 186 and name HB2 )) 4.400 2.400 1.600 peak 1773 spectrum 1 weight 0.11000E+01 volume 0.67465E-03 ppm1 1.225 ppm2 3.411 CV 1 ASSI { 1774} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 188 and name HA )) 2.600 0.800 0.800 peak 1774 spectrum 1 weight 0.11000E+01 volume 0.70180E-02 ppm1 1.221 ppm2 4.055 CV 1 ASSI { 1775} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 188 and name HG2%) 2.900 1.000 1.000 peak 1775 spectrum 1 weight 0.11000E+01 volume 0.33457E-02 ppm1 1.218 ppm2 0.731 CV 1 ASSI { 1777} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 190 and name HG2%) 3.300 3.300 2.700 peak 1777 spectrum 1 weight 0.11000E+01 volume 0.48644E-02 ppm1 1.219 ppm2 0.942 CV 1 ASSI { 1778} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 197 and name HD% ) 3.500 3.500 2.500 peak 1778 spectrum 1 weight 0.11000E+01 volume 0.24448E-02 ppm1 1.219 ppm2 7.361 CV 1 ASSI { 1779} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 197 and name HE% ) 4.200 2.200 1.800 peak 1779 spectrum 1 weight 0.11000E+01 volume 0.63097E-03 ppm1 1.221 ppm2 6.918 CV 1 ASSI { 1781} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 184 and name HG1 )) 1.500 1.500 4.500 peak 1781 spectrum 1 weight 0.11000E+01 volume 0.12985E-01 ppm1 0.752 ppm2 1.485 CV 1 ASSI { 1782} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 185 and name HE22)) 2.000 2.000 4.000 peak 1782 spectrum 1 weight 0.11000E+01 volume 0.19078E-02 ppm1 0.752 ppm2 6.802 CV 1 ASSI { 1783} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 186 and name HB1 )) 4.400 2.400 1.600 peak 1783 spectrum 1 weight 0.11000E+01 volume 0.84690E-03 ppm1 0.748 ppm2 3.137 CV 1 ASSI { 1784} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 188 and name HA )) 2.800 1.000 1.000 peak 1784 spectrum 1 weight 0.11000E+01 volume 0.91561E-02 ppm1 0.751 ppm2 4.019 CV 1 ASSI { 1787} (( segid " " and resid 189 and name HB )) ( segid " " and resid 190 and name HG2%) 3.900 3.900 2.100 peak 1787 spectrum 1 weight 0.11000E+01 volume 0.19476E-02 ppm1 4.104 ppm2 0.931 CV 1 ASSI { 1788} ( segid " " and resid 189 and name HG2%) (( segid " " and resid 193 and name HE2 )) 4.400 2.400 1.600 peak 1788 spectrum 1 weight 0.11000E+01 volume 0.59733E-03 ppm1 1.288 ppm2 2.920 CV 1 OR { 1788} ( segid " " and resid 189 and name HG2%) (( segid " " and resid 193 and name HE1 )) OR { 1788} (( segid " " and resid 189 and name HG1 )) (( segid " " and resid 193 and name HE2 )) ASSI { 1789} (( segid " " and resid 190 and name HB )) (( segid " " and resid 188 and name HA )) 3.500 3.500 2.500 peak 1789 spectrum 1 weight 0.11000E+01 volume 0.40576E-02 ppm1 4.447 ppm2 4.064 CV 1 ASSI { 1790} (( segid " " and resid 190 and name HB )) ( segid " " and resid 188 and name HG1%) 1.700 1.700 4.300 peak 1790 spectrum 1 weight 0.11000E+01 volume 0.53150E-02 ppm1 4.448 ppm2 1.219 CV 1 ASSI { 1791} (( segid " " and resid 190 and name HB )) (( segid " " and resid 193 and name HG1 )) 4.200 2.200 1.800 peak 1791 spectrum 1 weight 0.11000E+01 volume 0.79808E-03 ppm1 4.450 ppm2 1.490 CV 1 ASSI { 1793} (( segid " " and resid 191 and name HA )) (( segid " " and resid 195 and name HA )) 3.700 1.700 1.700 peak 1793 spectrum 1 weight 0.11000E+01 volume 0.26570E-02 ppm1 4.394 ppm2 4.293 CV 1 ASSI { 1794} (( segid " " and resid 191 and name HA )) (( segid " " and resid 195 and name HG1 )) 3.500 1.500 1.500 peak 1794 spectrum 1 weight 0.11000E+01 volume 0.15846E-02 ppm1 4.393 ppm2 2.051 CV 1 ASSI { 1795} (( segid " " and resid 191 and name HB )) ( segid " " and resid 191 and name HG2%) 2.400 0.700 0.700 peak 1795 spectrum 1 weight 0.11000E+01 volume 0.78759E-02 ppm1 4.351 ppm2 1.323 CV 1 OR { 1795} (( segid " " and resid 191 and name HB )) (( segid " " and resid 191 and name HG1 )) ASSI { 1796} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 191 and name HA )) 2.200 0.600 0.600 peak 1796 spectrum 1 weight 0.11000E+01 volume 0.14599E-01 ppm1 1.338 ppm2 4.377 CV 1 OR { 1796} (( segid " " and resid 191 and name HG1 )) (( segid " " and resid 191 and name HA )) ASSI { 1798} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 195 and name HB2 )) 3.600 1.600 1.600 peak 1798 spectrum 1 weight 0.11000E+01 volume 0.17862E-02 ppm1 1.301 ppm2 1.617 CV 1 ASSI { 1799} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 196 and name HA )) 3.900 1.900 1.900 peak 1799 spectrum 1 weight 0.11000E+01 volume 0.14707E-02 ppm1 1.336 ppm2 4.709 CV 1 ASSI { 1800} ( segid " " and resid 191 and name HG2%) ( segid " " and resid 197 and name HD% ) 3.900 1.900 1.900 peak 1800 spectrum 1 weight 0.11000E+01 volume 0.54009E-03 ppm1 1.344 ppm2 7.352 CV 1 ASSI { 1801} (( segid " " and resid 192 and name HB )) (( segid " " and resid 194 and name HA1 )) 3.300 3.300 2.700 peak 1801 spectrum 1 weight 0.11000E+01 volume 0.60694E-02 ppm1 4.256 ppm2 4.108 CV 1 ASSI { 1802} (( segid " " and resid 192 and name HG1 )) ( segid " " and resid 190 and name HG2%) 3.400 3.400 2.600 peak 1802 spectrum 1 weight 0.11000E+01 volume 0.55349E-02 ppm1 1.300 ppm2 0.937 CV 1 OR { 1802} ( segid " " and resid 192 and name HG2%) ( segid " " and resid 190 and name HG2%) ASSI { 1803} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 192 and name HB )) 2.100 0.600 0.600 peak 1803 spectrum 1 weight 0.11000E+01 volume 0.19362E-01 ppm1 1.300 ppm2 4.297 CV 1 ASSI { 1804} (( segid " " and resid 192 and name HG1 )) (( segid " " and resid 193 and name HB1 )) 3.700 1.700 1.700 peak 1804 spectrum 1 weight 0.11000E+01 volume 0.11547E-02 ppm1 1.299 ppm2 1.990 CV 1 OR { 1804} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 193 and name HB1 )) ASSI { 1805} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 197 and name HB2 )) 4.100 2.100 1.900 peak 1805 spectrum 1 weight 0.11000E+01 volume 0.11831E-02 ppm1 1.301 ppm2 2.956 CV 1 OR { 1805} (( segid " " and resid 192 and name HG1 )) (( segid " " and resid 197 and name HB2 )) ASSI { 1807} (( segid " " and resid 193 and name HA )) (( segid " " and resid 192 and name HG1 )) 4.400 2.400 1.600 peak 1807 spectrum 1 weight 0.11000E+01 volume 0.38072E-03 ppm1 4.394 ppm2 1.303 CV 1 OR { 1807} (( segid " " and resid 193 and name HA )) ( segid " " and resid 192 and name HG2%) ASSI { 1808} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HB1 )) 2.600 0.800 0.800 peak 1808 spectrum 1 weight 0.11000E+01 volume 0.43311E-02 ppm1 4.395 ppm2 2.013 CV 1 ASSI { 1809} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HB2 )) 2.900 1.000 1.000 peak 1809 spectrum 1 weight 0.11000E+01 volume 0.28803E-02 ppm1 4.400 ppm2 1.887 CV 1 ASSI { 1810} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HD2 )) 3.900 3.900 2.100 peak 1810 spectrum 1 weight 0.11000E+01 volume 0.15597E-02 ppm1 4.397 ppm2 1.663 CV 1 OR { 1810} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HD1 )) ASSI { 1811} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HG1 )) 3.200 1.300 1.300 peak 1811 spectrum 1 weight 0.11000E+01 volume 0.36178E-02 ppm1 4.399 ppm2 1.506 CV 1 ASSI { 1813} (( segid " " and resid 193 and name HB1 )) (( segid " " and resid 193 and name HE2 )) 5.200 3.400 0.800 peak 1813 spectrum 1 weight 0.11000E+01 volume 0.41563E-03 ppm1 2.008 ppm2 2.919 CV 1 OR { 1813} (( segid " " and resid 193 and name HB1 )) (( segid " " and resid 193 and name HE1 )) ASSI { 1814} (( segid " " and resid 193 and name HB1 )) (( segid " " and resid 193 and name HG1 )) 2.700 0.900 0.900 peak 1814 spectrum 1 weight 0.11000E+01 volume 0.34816E-02 ppm1 2.000 ppm2 1.519 CV 1 ASSI { 1815} (( segid " " and resid 193 and name HB1 )) (( segid " " and resid 193 and name HG2 )) 2.500 0.800 0.800 peak 1815 spectrum 1 weight 0.11000E+01 volume 0.33139E-02 ppm1 2.018 ppm2 1.647 CV 1 ASSI { 1817} (( segid " " and resid 193 and name HB2 )) (( segid " " and resid 193 and name HE2 )) 4.800 2.900 1.200 peak 1817 spectrum 1 weight 0.11000E+01 volume 0.53228E-03 ppm1 1.868 ppm2 2.914 CV 1 OR { 1817} (( segid " " and resid 193 and name HB2 )) (( segid " " and resid 193 and name HE1 )) ASSI { 1819} (( segid " " and resid 193 and name HD2 )) ( segid " " and resid 190 and name HG2%) 4.100 4.100 1.900 peak 1819 spectrum 1 weight 0.11000E+01 volume 0.98914E-03 ppm1 1.713 ppm2 0.954 CV 1 OR { 1819} (( segid " " and resid 193 and name HD1 )) ( segid " " and resid 190 and name HG2%) ASSI { 1820} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 190 and name HA )) 3.900 1.900 1.900 peak 1820 spectrum 1 weight 0.11000E+01 volume 0.77858E-03 ppm1 2.950 ppm2 4.114 CV 1 OR { 1820} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 190 and name HA )) ASSI { 1821} (( segid " " and resid 193 and name HE1 )) ( segid " " and resid 191 and name HG2%) 3.700 1.700 1.700 peak 1821 spectrum 1 weight 0.11000E+01 volume 0.15984E-02 ppm1 2.960 ppm2 1.324 CV 1 OR { 1821} (( segid " " and resid 193 and name HE2 )) ( segid " " and resid 191 and name HG2%) OR { 1821} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 191 and name HG1 )) ASSI { 1822} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 193 and name HG1 )) 2.700 0.900 0.900 peak 1822 spectrum 1 weight 0.11000E+01 volume 0.47414E-02 ppm1 2.937 ppm2 1.476 CV 1 OR { 1822} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 193 and name HG1 )) ASSI { 1826} (( segid " " and resid 193 and name HG1 )) (( segid " " and resid 193 and name HB2 )) 2.800 0.900 0.900 peak 1826 spectrum 1 weight 0.11000E+01 volume 0.54800E-02 ppm1 1.505 ppm2 1.858 CV 1 ASSI { 1827} (( segid " " and resid 193 and name HG1 )) (( segid " " and resid 193 and name HD2 )) 1.900 0.400 0.400 peak 1827 spectrum 1 weight 0.11000E+01 volume 0.22828E-01 ppm1 1.491 ppm2 1.677 CV 1 OR { 1827} (( segid " " and resid 193 and name HG1 )) (( segid " " and resid 193 and name HD1 )) ASSI { 1831} (( segid " " and resid 195 and name HA )) ( segid " " and resid 191 and name HG2%) 4.500 2.600 1.500 peak 1831 spectrum 1 weight 0.11000E+01 volume 0.59919E-03 ppm1 4.299 ppm2 1.323 CV 1 ASSI { 1832} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HB1 )) 2.700 0.900 0.900 peak 1832 spectrum 1 weight 0.11000E+01 volume 0.46249E-02 ppm1 4.288 ppm2 1.640 CV 1 ASSI { 1833} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HB2 )) 2.600 0.800 0.800 peak 1833 spectrum 1 weight 0.11000E+01 volume 0.52740E-02 ppm1 4.288 ppm2 1.624 CV 1 ASSI { 1834} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HG1 )) 3.300 1.400 1.400 peak 1834 spectrum 1 weight 0.11000E+01 volume 0.16974E-02 ppm1 4.291 ppm2 2.071 CV 1 ASSI { 1835} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HG2 )) 3.300 1.400 1.400 peak 1835 spectrum 1 weight 0.11000E+01 volume 0.15724E-02 ppm1 4.289 ppm2 1.946 CV 1 ASSI { 1836} (( segid " " and resid 195 and name HA )) (( segid " " and resid 196 and name HB2 )) 4.900 3.000 1.100 peak 1836 spectrum 1 weight 0.11000E+01 volume 0.60721E-03 ppm1 4.274 ppm2 2.612 CV 1 ASSI { 1837} (( segid " " and resid 195 and name HA )) ( segid " " and resid 197 and name HD% ) 4.900 4.900 1.100 peak 1837 spectrum 1 weight 0.11000E+01 volume 0.32830E-03 ppm1 4.289 ppm2 7.366 CV 1 ASSI { 1839} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 193 and name HA )) 2.300 2.300 3.700 peak 1839 spectrum 1 weight 0.11000E+01 volume 0.90347E-03 ppm1 1.620 ppm2 4.374 CV 1 ASSI { 1842} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 196 and name HA )) 5.300 3.500 0.700 peak 1842 spectrum 1 weight 0.11000E+01 volume 0.22598E-03 ppm1 1.631 ppm2 4.727 CV 1 ASSI { 1843} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 197 and name HA )) 4.800 4.800 1.200 peak 1843 spectrum 1 weight 0.11000E+01 volume 0.30402E-03 ppm1 1.630 ppm2 5.420 CV 1 ASSI { 1846} (( segid " " and resid 195 and name HG1 )) (( segid " " and resid 195 and name HB2 )) 2.800 1.000 1.000 peak 1846 spectrum 1 weight 0.11000E+01 volume 0.38471E-02 ppm1 2.064 ppm2 1.618 CV 1 ASSI { 1849} (( segid " " and resid 195 and name HG2 )) (( segid " " and resid 195 and name HB2 )) 2.500 0.800 0.800 peak 1849 spectrum 1 weight 0.11000E+01 volume 0.41786E-02 ppm1 1.945 ppm2 1.598 CV 1 ASSI { 1852} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HB2 )) 2.700 0.900 0.900 peak 1852 spectrum 1 weight 0.11000E+01 volume 0.79767E-02 ppm1 4.717 ppm2 2.623 CV 1 ASSI { 1853} (( segid " " and resid 196 and name HA )) (( segid " " and resid 197 and name HA )) 4.500 2.500 1.500 peak 1853 spectrum 1 weight 0.11000E+01 volume 0.47653E-03 ppm1 4.695 ppm2 5.291 CV 1 ASSI { 1854} (( segid " " and resid 196 and name HA )) (( segid " " and resid 198 and name HB )) 3.500 3.500 2.500 peak 1854 spectrum 1 weight 0.11000E+01 volume 0.15714E-02 ppm1 4.713 ppm2 4.850 CV 1 ASSI { 1855} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 196 and name HA )) 2.600 0.900 0.900 peak 1855 spectrum 1 weight 0.11000E+01 volume 0.38885E-02 ppm1 2.646 ppm2 4.716 CV 1 ASSI { 1856} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 197 and name HA )) 4.700 4.700 1.300 peak 1856 spectrum 1 weight 0.11000E+01 volume 0.19406E-03 ppm1 2.654 ppm2 5.308 CV 1 ASSI { 1859} (( segid " " and resid 197 and name HA )) (( segid " " and resid 196 and name HB2 )) 3.800 1.800 1.800 peak 1859 spectrum 1 weight 0.11000E+01 volume 0.54230E-03 ppm1 5.285 ppm2 2.610 CV 1 ASSI { 1860} (( segid " " and resid 197 and name HA )) (( segid " " and resid 197 and name HB1 )) 2.900 1.000 1.000 peak 1860 spectrum 1 weight 0.11000E+01 volume 0.17810E-02 ppm1 5.292 ppm2 3.204 CV 1 ASSI { 1861} (( segid " " and resid 197 and name HA )) (( segid " " and resid 197 and name HB2 )) 3.000 1.100 1.100 peak 1861 spectrum 1 weight 0.11000E+01 volume 0.15783E-02 ppm1 5.293 ppm2 2.951 CV 1 ASSI { 1862} (( segid " " and resid 197 and name HA )) ( segid " " and resid 197 and name HD% ) 2.900 2.900 3.100 peak 1862 spectrum 1 weight 0.11000E+01 volume 0.31911E-02 ppm1 5.293 ppm2 7.353 CV 1 ASSI { 1863} (( segid " " and resid 197 and name HA )) ( segid " " and resid 198 and name HG2%) 4.700 2.700 1.300 peak 1863 spectrum 1 weight 0.11000E+01 volume 0.99212E-03 ppm1 5.294 ppm2 1.442 CV 1 ASSI { 1864} (( segid " " and resid 197 and name HA )) (( segid " " and resid 199 and name HN )) 5.100 5.100 0.900 peak 1864 spectrum 1 weight 0.11000E+01 volume 0.55015E-03 ppm1 5.285 ppm2 9.052 CV 1 ASSI { 1866} (( segid " " and resid 197 and name HA )) (( segid " " and resid 202 and name HG12)) 4.800 2.900 1.200 peak 1866 spectrum 1 weight 0.11000E+01 volume 0.60185E-03 ppm1 5.285 ppm2 1.264 CV 1 ASSI { 1869} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 201 and name HB1 )) 4.100 2.100 1.900 peak 1869 spectrum 1 weight 0.11000E+01 volume 0.83201E-03 ppm1 3.211 ppm2 3.386 CV 1 ASSI { 1871} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 202 and name HA )) 4.300 2.400 1.700 peak 1871 spectrum 1 weight 0.11000E+01 volume 0.49345E-03 ppm1 3.197 ppm2 3.440 CV 1 ASSI { 1873} (( segid " " and resid 197 and name HB2 )) ( segid " " and resid 192 and name HG2%) 4.500 2.500 1.500 peak 1873 spectrum 1 weight 0.11000E+01 volume 0.45800E-03 ppm1 2.964 ppm2 1.334 CV 1 ASSI { 1874} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 196 and name HB2 )) 4.800 2.900 1.200 peak 1874 spectrum 1 weight 0.11000E+01 volume 0.47972E-03 ppm1 2.954 ppm2 2.611 CV 1 ASSI { 1876} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 197 and name HB1 )) 2.400 0.700 0.700 peak 1876 spectrum 1 weight 0.11000E+01 volume 0.23448E-02 ppm1 2.951 ppm2 3.202 CV 1 ASSI { 1877} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 201 and name HA )) 4.700 2.800 1.300 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.49192E-03 ppm1 2.963 ppm2 4.552 CV 1 ASSI { 1880} (( segid " " and resid 197 and name HB2 )) ( segid " " and resid 205 and name HE% ) 4.000 2.000 2.000 peak 1880 spectrum 1 weight 0.11000E+01 volume 0.52209E-03 ppm1 2.958 ppm2 1.506 CV 1 ASSI { 1881} (( segid " " and resid 198 and name HA )) (( segid " " and resid 196 and name HB1 )) 3.700 3.700 2.300 peak 1881 spectrum 1 weight 0.11000E+01 volume 0.80472E-03 ppm1 4.649 ppm2 2.659 CV 1 ASSI { 1882} (( segid " " and resid 198 and name HA )) (( segid " " and resid 198 and name HB )) 2.400 0.700 0.700 peak 1882 spectrum 1 weight 0.11000E+01 volume 0.71726E-02 ppm1 4.640 ppm2 4.815 CV 1 ASSI { 1887} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 196 and name HB2 )) 2.400 2.400 3.600 peak 1887 spectrum 1 weight 0.11000E+01 volume 0.66088E-03 ppm1 1.424 ppm2 2.610 CV 1 ASSI { 1889} (( segid " " and resid 198 and name HG1 )) (( segid " " and resid 198 and name HA )) 2.600 0.900 0.900 peak 1889 spectrum 1 weight 0.11000E+01 volume 0.85852E-02 ppm1 1.424 ppm2 4.640 CV 1 OR { 1889} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 198 and name HA )) ASSI { 1890} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 198 and name HB )) 2.200 0.600 0.600 peak 1890 spectrum 1 weight 0.11000E+01 volume 0.11158E-01 ppm1 1.424 ppm2 4.834 CV 1 OR { 1890} (( segid " " and resid 198 and name HG1 )) (( segid " " and resid 198 and name HB )) ASSI { 1891} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 202 and name HG12)) 4.400 4.400 1.600 peak 1891 spectrum 1 weight 0.11000E+01 volume 0.10303E-02 ppm1 1.426 ppm2 1.682 CV 1 OR { 1891} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 202 and name HG11)) ASSI { 1892} (( segid " " and resid 199 and name HA )) (( segid " " and resid 198 and name HA )) 4.400 2.500 1.600 peak 1892 spectrum 1 weight 0.11000E+01 volume 0.62389E-03 ppm1 4.058 ppm2 4.659 CV 1 ASSI { 1893} (( segid " " and resid 199 and name HA )) (( segid " " and resid 199 and name HB2 )) 2.500 0.800 0.800 peak 1893 spectrum 1 weight 0.11000E+01 volume 0.54645E-02 ppm1 4.048 ppm2 2.088 CV 1 OR { 1893} (( segid " " and resid 199 and name HA )) (( segid " " and resid 199 and name HB1 )) ASSI { 1894} (( segid " " and resid 199 and name HA )) (( segid " " and resid 199 and name HG2 )) 3.400 1.400 1.400 peak 1894 spectrum 1 weight 0.11000E+01 volume 0.21000E-02 ppm1 4.043 ppm2 2.343 CV 1 ASSI { 1896} (( segid " " and resid 199 and name HA )) (( segid " " and resid 200 and name HB )) 5.300 3.500 0.700 peak 1896 spectrum 1 weight 0.11000E+01 volume 0.30622E-03 ppm1 4.062 ppm2 3.746 CV 1 ASSI { 1897} (( segid " " and resid 199 and name HA )) (( segid " " and resid 202 and name HB )) 3.200 1.300 1.300 peak 1897 spectrum 1 weight 0.11000E+01 volume 0.57640E-02 ppm1 4.053 ppm2 1.955 CV 1 ASSI { 1898} (( segid " " and resid 199 and name HA )) (( segid " " and resid 202 and name HG12)) 3.200 1.300 1.300 peak 1898 spectrum 1 weight 0.11000E+01 volume 0.99482E-03 ppm1 4.062 ppm2 1.267 CV 1 ASSI { 1900} (( segid " " and resid 199 and name HB2 )) (( segid " " and resid 202 and name HB )) 3.500 3.500 2.500 peak 1900 spectrum 1 weight 0.11000E+01 volume 0.61482E-02 ppm1 2.084 ppm2 1.940 CV 1 OR { 1900} (( segid " " and resid 199 and name HB1 )) (( segid " " and resid 202 and name HB )) ASSI { 1901} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 199 and name HA )) 2.900 1.100 1.100 peak 1901 spectrum 1 weight 0.11000E+01 volume 0.23118E-02 ppm1 2.392 ppm2 4.039 CV 1 ASSI { 1902} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 199 and name HB2 )) 2.300 0.700 0.700 peak 1902 spectrum 1 weight 0.11000E+01 volume 0.12903E-01 ppm1 2.391 ppm2 2.101 CV 1 OR { 1902} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 199 and name HB1 )) ASSI { 1903} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 199 and name HG2 )) 1.500 0.300 0.700 peak 1903 spectrum 1 weight 0.11000E+01 volume 0.54835E-01 ppm1 2.389 ppm2 2.330 CV 1 ASSI { 1904} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 200 and name HA )) 4.000 2.000 2.000 peak 1904 spectrum 1 weight 0.11000E+01 volume 0.47100E-03 ppm1 2.386 ppm2 3.802 CV 1 ASSI { 1907} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 199 and name HN )) 5.700 4.000 0.300 peak 1907 spectrum 1 weight 0.11000E+01 volume 0.25458E-03 ppm1 2.319 ppm2 9.070 CV 1 ASSI { 1908} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 202 and name HB )) 3.300 3.300 2.700 peak 1908 spectrum 1 weight 0.11000E+01 volume 0.35575E-02 ppm1 2.303 ppm2 1.949 CV 1 ASSI { 1909} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 202 and name HG11)) 5.200 3.400 0.800 peak 1909 spectrum 1 weight 0.11000E+01 volume 0.35041E-03 ppm1 2.343 ppm2 1.514 CV 1 ASSI { 1910} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 203 and name HB2 )) 4.600 2.600 1.400 peak 1910 spectrum 1 weight 0.11000E+01 volume 0.61082E-03 ppm1 2.302 ppm2 1.618 CV 1 ASSI { 1911} (( segid " " and resid 200 and name HA )) (( segid " " and resid 199 and name HB1 )) 3.400 3.400 2.600 peak 1911 spectrum 1 weight 0.11000E+01 volume 0.15854E-02 ppm1 3.811 ppm2 1.967 CV 1 ASSI { 1912} (( segid " " and resid 200 and name HA )) (( segid " " and resid 200 and name HB )) 2.500 0.800 0.800 peak 1912 spectrum 1 weight 0.11000E+01 volume 0.64398E-02 ppm1 3.800 ppm2 3.717 CV 1 ASSI { 1914} (( segid " " and resid 200 and name HA )) (( segid " " and resid 203 and name HB1 )) 3.900 1.900 1.900 peak 1914 spectrum 1 weight 0.11000E+01 volume 0.18344E-02 ppm1 3.796 ppm2 1.904 CV 1 ASSI { 1915} (( segid " " and resid 200 and name HA )) (( segid " " and resid 203 and name HB2 )) 5.100 3.300 0.900 peak 1915 spectrum 1 weight 0.11000E+01 volume 0.81625E-03 ppm1 3.796 ppm2 1.639 CV 1 ASSI { 1916} (( segid " " and resid 200 and name HA )) (( segid " " and resid 203 and name HG2 )) 3.000 1.100 1.100 peak 1916 spectrum 1 weight 0.11000E+01 volume 0.56863E-03 ppm1 3.803 ppm2 1.398 CV 1 ASSI { 1918} (( segid " " and resid 200 and name HB )) (( segid " " and resid 203 and name HG2 )) 4.800 2.900 1.200 peak 1918 spectrum 1 weight 0.11000E+01 volume 0.56013E-03 ppm1 3.703 ppm2 1.420 CV 1 ASSI { 1920} ( segid " " and resid 200 and name HG2%) ( segid " " and resid 148 and name HE% ) 3.300 1.400 1.400 peak 1920 spectrum 1 weight 0.11000E+01 volume 0.20899E-02 ppm1 0.632 ppm2 6.887 CV 1 ASSI { 1922} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 200 and name HA )) 2.400 0.700 0.700 peak 1922 spectrum 1 weight 0.11000E+01 volume 0.57364E-02 ppm1 0.638 ppm2 3.791 CV 1 OR { 1922} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 200 and name HA )) ASSI { 1923} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 200 and name HB )) 2.300 0.700 0.700 peak 1923 spectrum 1 weight 0.11000E+01 volume 0.81340E-02 ppm1 0.628 ppm2 3.728 CV 1 OR { 1923} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 200 and name HB )) ASSI { 1925} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 203 and name HG1 )) 3.500 1.500 1.500 peak 1925 spectrum 1 weight 0.11000E+01 volume 0.12573E-02 ppm1 0.632 ppm2 1.579 CV 1 OR { 1925} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 203 and name HG1 )) ASSI { 1926} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 203 and name HG2 )) 4.100 2.100 1.900 peak 1926 spectrum 1 weight 0.11000E+01 volume 0.65738E-03 ppm1 0.631 ppm2 1.413 CV 1 OR { 1926} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 203 and name HG2 )) ASSI { 1928} (( segid " " and resid 201 and name HA )) ( segid " " and resid 148 and name HE% ) 3.900 1.900 1.900 peak 1928 spectrum 1 weight 0.11000E+01 volume 0.70025E-03 ppm1 4.518 ppm2 6.925 CV 1 ASSI { 1930} (( segid " " and resid 201 and name HA )) (( segid " " and resid 197 and name HB1 )) 5.000 3.100 1.000 peak 1930 spectrum 1 weight 0.11000E+01 volume 0.46931E-03 ppm1 4.538 ppm2 3.196 CV 1 ASSI { 1932} (( segid " " and resid 201 and name HA )) (( segid " " and resid 198 and name HA )) 4.400 4.400 1.600 peak 1932 spectrum 1 weight 0.11000E+01 volume 0.10206E-02 ppm1 4.534 ppm2 4.670 CV 1 ASSI { 1933} (( segid " " and resid 201 and name HA )) ( segid " " and resid 200 and name HG2%) 3.300 1.300 1.300 peak 1933 spectrum 1 weight 0.11000E+01 volume 0.15426E-02 ppm1 4.537 ppm2 0.639 CV 1 ASSI { 1934} (( segid " " and resid 201 and name HA )) (( segid " " and resid 201 and name HB1 )) 2.800 0.900 0.900 peak 1934 spectrum 1 weight 0.11000E+01 volume 0.15472E-02 ppm1 4.535 ppm2 3.399 CV 1 ASSI { 1935} (( segid " " and resid 201 and name HA )) (( segid " " and resid 201 and name HB2 )) 3.000 1.100 1.100 peak 1935 spectrum 1 weight 0.11000E+01 volume 0.16144E-02 ppm1 4.539 ppm2 2.589 CV 1 ASSI { 1936} (( segid " " and resid 201 and name HA )) (( segid " " and resid 202 and name HG11)) 5.500 5.500 0.500 peak 1936 spectrum 1 weight 0.11000E+01 volume 0.52991E-03 ppm1 4.533 ppm2 1.526 CV 1 ASSI { 1937} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HB )) 4.400 2.400 1.600 peak 1937 spectrum 1 weight 0.11000E+01 volume 0.19920E-02 ppm1 4.539 ppm2 1.938 CV 1 ASSI { 1938} (( segid " " and resid 201 and name HA )) ( segid " " and resid 204 and name HG2%) 4.300 2.300 1.700 peak 1938 spectrum 1 weight 0.11000E+01 volume 0.10582E-02 ppm1 4.543 ppm2 0.820 CV 1 ASSI { 1939} (( segid " " and resid 201 and name HA )) ( segid " " and resid 205 and name HE% ) 4.600 2.600 1.400 peak 1939 spectrum 1 weight 0.11000E+01 volume 0.49711E-03 ppm1 4.532 ppm2 1.506 CV 1 ASSI { 1940} (( segid " " and resid 201 and name HB1 )) (( segid " " and resid 197 and name HA )) 3.800 1.800 1.800 peak 1940 spectrum 1 weight 0.11000E+01 volume 0.47835E-03 ppm1 3.388 ppm2 5.295 CV 1 ASSI { 1941} (( segid " " and resid 201 and name HB1 )) (( segid " " and resid 197 and name HB2 )) 2.800 1.000 1.000 peak 1941 spectrum 1 weight 0.11000E+01 volume 0.66015E-02 ppm1 3.384 ppm2 2.986 CV 1 ASSI { 1942} (( segid " " and resid 201 and name HB1 )) ( segid " " and resid 197 and name HD% ) 5.200 5.200 0.800 peak 1942 spectrum 1 weight 0.11000E+01 volume 0.18835E-03 ppm1 3.360 ppm2 7.389 CV 1 ASSI { 1944} (( segid " " and resid 201 and name HB1 )) ( segid " " and resid 204 and name HG2%) 5.400 3.700 0.600 peak 1944 spectrum 1 weight 0.11000E+01 volume 0.38309E-03 ppm1 3.383 ppm2 0.771 CV 1 ASSI { 1945} (( segid " " and resid 201 and name HB2 )) (( segid " " and resid 197 and name HB1 )) 4.200 2.200 1.800 peak 1945 spectrum 1 weight 0.11000E+01 volume 0.62214E-03 ppm1 2.575 ppm2 3.176 CV 1 ASSI { 1948} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HB )) 2.800 1.000 1.000 peak 1948 spectrum 1 weight 0.11000E+01 volume 0.25890E-02 ppm1 3.434 ppm2 1.921 CV 1 ASSI { 1950} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HG12)) 3.600 1.600 1.600 peak 1950 spectrum 1 weight 0.11000E+01 volume 0.88610E-03 ppm1 3.415 ppm2 1.278 CV 1 ASSI { 1952} (( segid " " and resid 202 and name HA )) (( segid " " and resid 205 and name HA )) 3.300 3.300 2.700 peak 1952 spectrum 1 weight 0.11000E+01 volume 0.87096E-02 ppm1 3.431 ppm2 3.438 CV 1 ASSI { 1953} (( segid " " and resid 202 and name HA )) (( segid " " and resid 205 and name HB1 )) 3.000 3.000 3.000 peak 1953 spectrum 1 weight 0.11000E+01 volume 0.24330E-02 ppm1 3.422 ppm2 1.970 CV 1 ASSI { 1956} (( segid " " and resid 202 and name HB )) (( segid " " and resid 199 and name HN )) 4.400 4.400 1.600 peak 1956 spectrum 1 weight 0.11000E+01 volume 0.13856E-02 ppm1 1.953 ppm2 9.078 CV 1 ASSI { 1958} (( segid " " and resid 202 and name HB )) (( segid " " and resid 203 and name HA )) 3.400 1.500 1.500 peak 1958 spectrum 1 weight 0.11000E+01 volume 0.12250E-02 ppm1 1.941 ppm2 4.024 CV 1 ASSI { 1959} (( segid " " and resid 202 and name HB )) (( segid " " and resid 203 and name HG1 )) 4.000 2.000 2.000 peak 1959 spectrum 1 weight 0.11000E+01 volume 0.15099E-02 ppm1 1.944 ppm2 1.578 CV 1 ASSI { 1960} (( segid " " and resid 202 and name HB )) (( segid " " and resid 204 and name HG12)) 3.600 3.600 2.400 peak 1960 spectrum 1 weight 0.11000E+01 volume 0.30979E-02 ppm1 1.952 ppm2 0.838 CV 1 ASSI { 1962} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 197 and name HA )) 4.500 2.500 1.500 peak 1962 spectrum 1 weight 0.11000E+01 volume 0.41061E-03 ppm1 0.728 ppm2 5.267 CV 1 ASSI { 1963} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 197 and name HB1 )) 3.400 1.500 1.500 peak 1963 spectrum 1 weight 0.11000E+01 volume 0.18451E-02 ppm1 0.718 ppm2 3.192 CV 1 ASSI { 1964} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 197 and name HB2 )) 3.000 1.200 1.200 peak 1964 spectrum 1 weight 0.11000E+01 volume 0.16183E-02 ppm1 0.718 ppm2 2.953 CV 1 ASSI { 1965} ( segid " " and resid 202 and name HD1%) ( segid " " and resid 197 and name HD% ) 3.300 1.400 1.400 peak 1965 spectrum 1 weight 0.11000E+01 volume 0.10537E-02 ppm1 0.720 ppm2 7.357 CV 1 ASSI { 1966} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 199 and name HG2 )) 5.300 3.500 0.700 peak 1966 spectrum 1 weight 0.11000E+01 volume 0.44714E-03 ppm1 0.729 ppm2 2.340 CV 1 ASSI { 1967} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 202 and name HA )) 2.700 0.900 0.900 peak 1967 spectrum 1 weight 0.11000E+01 volume 0.38872E-02 ppm1 0.719 ppm2 3.425 CV 1 ASSI { 1968} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 202 and name HB )) 3.300 1.400 1.400 peak 1968 spectrum 1 weight 0.11000E+01 volume 0.40836E-02 ppm1 0.718 ppm2 1.952 CV 1 ASSI { 1969} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 202 and name HG12)) 2.300 0.700 0.700 peak 1969 spectrum 1 weight 0.11000E+01 volume 0.66008E-02 ppm1 0.716 ppm2 1.290 CV 1 ASSI { 1970} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 203 and name HA )) 3.900 1.900 1.900 peak 1970 spectrum 1 weight 0.11000E+01 volume 0.29789E-02 ppm1 0.719 ppm2 4.045 CV 1 ASSI { 1971} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 203 and name HG1 )) 3.300 3.300 2.700 peak 1971 spectrum 1 weight 0.11000E+01 volume 0.73152E-02 ppm1 0.718 ppm2 1.539 CV 1 ASSI { 1972} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 203 and name HG2 )) 4.000 2.000 2.000 peak 1972 spectrum 1 weight 0.11000E+01 volume 0.24633E-02 ppm1 0.718 ppm2 1.398 CV 1 ASSI { 1974} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 205 and name HN )) 4.100 2.100 1.900 peak 1974 spectrum 1 weight 0.11000E+01 volume 0.13428E-02 ppm1 0.722 ppm2 8.788 CV 1 ASSI { 1975} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 206 and name HG1 )) 4.900 3.000 1.100 peak 1975 spectrum 1 weight 0.11000E+01 volume 0.74977E-03 ppm1 0.720 ppm2 2.586 CV 1 ASSI { 1976} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 206 and name HG2 )) 5.200 3.400 0.800 peak 1976 spectrum 1 weight 0.11000E+01 volume 0.68108E-03 ppm1 0.711 ppm2 2.120 CV 1 ASSI { 1977} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 202 and name HA )) 4.100 2.100 1.900 peak 1977 spectrum 1 weight 0.11000E+01 volume 0.10230E-02 ppm1 1.561 ppm2 3.408 CV 1 ASSI { 1978} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 202 and name HB )) 2.700 0.900 0.900 peak 1978 spectrum 1 weight 0.11000E+01 volume 0.22498E-02 ppm1 1.556 ppm2 1.942 CV 1 ASSI { 1979} (( segid " " and resid 202 and name HG11)) ( segid " " and resid 202 and name HD1%) 2.700 2.700 3.300 peak 1979 spectrum 1 weight 0.11000E+01 volume 0.25796E-02 ppm1 1.565 ppm2 0.684 CV 1 ASSI { 1980} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 202 and name HG12)) 1.900 0.500 0.500 peak 1980 spectrum 1 weight 0.11000E+01 volume 0.46752E-02 ppm1 1.557 ppm2 1.298 CV 1 ASSI { 1983} (( segid " " and resid 202 and name HG12)) ( segid " " and resid 202 and name HG2%) 3.700 1.700 1.700 peak 1983 spectrum 1 weight 0.11000E+01 volume 0.18178E-02 ppm1 1.303 ppm2 0.844 CV 1 ASSI { 1984} (( segid " " and resid 202 and name HG12)) (( segid " " and resid 203 and name HA )) 5.000 3.200 1.000 peak 1984 spectrum 1 weight 0.11000E+01 volume 0.48274E-03 ppm1 1.308 ppm2 4.043 CV 1 ASSI { 1985} (( segid " " and resid 202 and name HG12)) (( segid " " and resid 203 and name HB1 )) 4.200 4.200 1.800 peak 1985 spectrum 1 weight 0.11000E+01 volume 0.10019E-02 ppm1 1.288 ppm2 1.883 CV 1 ASSI { 1986} (( segid " " and resid 202 and name HG12)) (( segid " " and resid 203 and name HB2 )) 3.800 3.800 2.200 peak 1986 spectrum 1 weight 0.11000E+01 volume 0.43432E-02 ppm1 1.301 ppm2 1.559 CV 1 ASSI { 1987} ( segid " " and resid 202 and name HG2%) ( segid " " and resid 200 and name HG2%) 4.100 4.100 1.900 peak 1987 spectrum 1 weight 0.11000E+01 volume 0.18964E-02 ppm1 0.834 ppm2 0.600 CV 1 OR { 1987} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 200 and name HG1 )) ASSI { 1988} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 202 and name HA )) 2.600 0.800 0.800 peak 1988 spectrum 1 weight 0.11000E+01 volume 0.40294E-02 ppm1 0.838 ppm2 3.425 CV 1 ASSI { 1989} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 202 and name HB )) 2.300 0.600 0.600 peak 1989 spectrum 1 weight 0.11000E+01 volume 0.86192E-02 ppm1 0.834 ppm2 1.973 CV 1 ASSI { 1990} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 203 and name HA )) 3.300 1.400 1.400 peak 1990 spectrum 1 weight 0.11000E+01 volume 0.24516E-02 ppm1 0.830 ppm2 4.056 CV 1 ASSI { 1991} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 204 and name HG12)) 3.900 3.900 2.100 peak 1991 spectrum 1 weight 0.11000E+01 volume 0.22630E-02 ppm1 0.827 ppm2 1.303 CV 1 OR { 1991} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 204 and name HG11)) ASSI { 1992} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 204 and name HG11)) 3.600 3.600 2.400 peak 1992 spectrum 1 weight 0.11000E+01 volume 0.37443E-02 ppm1 0.834 ppm2 1.558 CV 1 ASSI { 1993} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 206 and name HG1 )) 2.800 0.900 0.900 peak 1993 spectrum 1 weight 0.11000E+01 volume 0.22965E-02 ppm1 0.842 ppm2 2.570 CV 1 ASSI { 1994} (( segid " " and resid 203 and name HA )) (( segid " " and resid 200 and name HA )) 5.200 3.300 0.800 peak 1994 spectrum 1 weight 0.11000E+01 volume 0.72718E-03 ppm1 4.078 ppm2 3.826 CV 1 ASSI { 1995} (( segid " " and resid 203 and name HA )) ( segid " " and resid 200 and name HG2%) 5.300 3.600 0.700 peak 1995 spectrum 1 weight 0.11000E+01 volume 0.53322E-03 ppm1 4.056 ppm2 0.663 CV 1 OR { 1995} (( segid " " and resid 203 and name HA )) (( segid " " and resid 200 and name HG1 )) ASSI { 1997} (( segid " " and resid 203 and name HA )) (( segid " " and resid 203 and name HG1 )) 3.200 1.300 1.300 peak 1997 spectrum 1 weight 0.11000E+01 volume 0.22079E-02 ppm1 4.065 ppm2 1.591 CV 1 ASSI { 1999} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HA )) 5.700 4.000 0.300 peak 1999 spectrum 1 weight 0.11000E+01 volume 0.15514E-03 ppm1 4.040 ppm2 3.659 CV 1 ASSI { 2000} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HB1 )) 4.300 2.300 1.700 peak 2000 spectrum 1 weight 0.11000E+01 volume 0.13461E-02 ppm1 4.066 ppm2 2.213 CV 1 ASSI { 2001} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HB2 )) 2.500 0.800 0.800 peak 2001 spectrum 1 weight 0.11000E+01 volume 0.40427E-02 ppm1 4.063 ppm2 1.967 CV 1 ASSI { 2003} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HG2 )) 4.300 2.300 1.700 peak 2003 spectrum 1 weight 0.11000E+01 volume 0.96258E-03 ppm1 4.060 ppm2 2.120 CV 1 ASSI { 2004} (( segid " " and resid 203 and name HA )) (( segid " " and resid 207 and name HB1 )) 2.400 2.400 3.600 peak 2004 spectrum 1 weight 0.11000E+01 volume 0.55405E-02 ppm1 4.064 ppm2 1.929 CV 1 ASSI { 2007} (( segid " " and resid 203 and name HB1 )) ( segid " " and resid 200 and name HG2%) 5.600 4.000 0.400 peak 2007 spectrum 1 weight 0.11000E+01 volume 0.35524E-03 ppm1 1.857 ppm2 0.639 CV 1 OR { 2007} (( segid " " and resid 203 and name HB1 )) (( segid " " and resid 200 and name HG1 )) ASSI { 2008} (( segid " " and resid 203 and name HB1 )) (( segid " " and resid 203 and name HA )) 2.600 0.800 0.800 peak 2008 spectrum 1 weight 0.11000E+01 volume 0.34986E-02 ppm1 1.880 ppm2 4.051 CV 1 ASSI { 2009} (( segid " " and resid 203 and name HB1 )) (( segid " " and resid 203 and name HB2 )) 2.000 0.500 0.500 peak 2009 spectrum 1 weight 0.11000E+01 volume 0.52369E-02 ppm1 1.874 ppm2 1.623 CV 1 ASSI { 2010} (( segid " " and resid 203 and name HB1 )) (( segid " " and resid 203 and name HG1 )) 2.600 0.900 0.900 peak 2010 spectrum 1 weight 0.11000E+01 volume 0.44200E-02 ppm1 1.861 ppm2 1.576 CV 1 ASSI { 2012} (( segid " " and resid 203 and name HD2 )) ( segid " " and resid 204 and name HD1%) 4.800 2.900 1.200 peak 2012 spectrum 1 weight 0.11000E+01 volume 0.99138E-03 ppm1 1.655 ppm2 0.631 CV 1 OR { 2012} (( segid " " and resid 203 and name HD1 )) ( segid " " and resid 204 and name HD1%) ASSI { 2016} (( segid " " and resid 203 and name HG1 )) (( segid " " and resid 203 and name HE1 )) 3.000 1.100 1.100 peak 2016 spectrum 1 weight 0.11000E+01 volume 0.10626E-02 ppm1 1.579 ppm2 2.909 CV 1 OR { 2016} (( segid " " and resid 203 and name HG1 )) (( segid " " and resid 203 and name HE2 )) ASSI { 2017} (( segid " " and resid 203 and name HG1 )) (( segid " " and resid 203 and name HG2 )) 2.000 0.500 0.500 peak 2017 spectrum 1 weight 0.11000E+01 volume 0.23910E-02 ppm1 1.580 ppm2 1.398 CV 1 ASSI { 2018} (( segid " " and resid 203 and name HG1 )) (( segid " " and resid 207 and name HG2 )) 4.100 2.100 1.900 peak 2018 spectrum 1 weight 0.11000E+01 volume 0.87540E-03 ppm1 1.556 ppm2 1.778 CV 1 ASSI { 2020} (( segid " " and resid 203 and name HG2 )) (( segid " " and resid 203 and name HA )) 3.600 1.600 1.600 peak 2020 spectrum 1 weight 0.11000E+01 volume 0.24952E-02 ppm1 1.411 ppm2 4.066 CV 1 ASSI { 2021} (( segid " " and resid 203 and name HG2 )) (( segid " " and resid 203 and name HB1 )) 2.200 0.600 0.600 peak 2021 spectrum 1 weight 0.11000E+01 volume 0.43803E-02 ppm1 1.411 ppm2 1.911 CV 1 ASSI { 2023} (( segid " " and resid 204 and name HA )) ( segid " " and resid 149 and name HD% ) 4.100 2.100 1.900 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.84793E-03 ppm1 3.641 ppm2 6.919 CV 1 ASSI { 2024} (( segid " " and resid 204 and name HA )) ( segid " " and resid 200 and name HG2%) 4.000 2.000 2.000 peak 2024 spectrum 1 weight 0.11000E+01 volume 0.15752E-02 ppm1 3.633 ppm2 0.628 CV 1 ASSI { 2025} (( segid " " and resid 204 and name HA )) (( segid " " and resid 204 and name HB )) 2.700 0.900 0.900 peak 2025 spectrum 1 weight 0.11000E+01 volume 0.16046E-02 ppm1 3.630 ppm2 1.927 CV 1 ASSI { 2026} (( segid " " and resid 204 and name HA )) (( segid " " and resid 204 and name HG11)) 3.200 1.300 1.300 peak 2026 spectrum 1 weight 0.11000E+01 volume 0.15663E-02 ppm1 3.631 ppm2 1.563 CV 1 ASSI { 2027} (( segid " " and resid 204 and name HA )) ( segid " " and resid 204 and name HG2%) 2.500 0.800 0.800 peak 2027 spectrum 1 weight 0.11000E+01 volume 0.33437E-02 ppm1 3.629 ppm2 0.809 CV 1 ASSI { 2028} (( segid " " and resid 204 and name HA )) (( segid " " and resid 207 and name HB1 )) 3.500 1.600 1.600 peak 2028 spectrum 1 weight 0.11000E+01 volume 0.21388E-02 ppm1 3.629 ppm2 1.906 CV 1 ASSI { 2029} (( segid " " and resid 204 and name HA )) (( segid " " and resid 207 and name HB2 )) 4.500 2.500 1.500 peak 2029 spectrum 1 weight 0.11000E+01 volume 0.12339E-02 ppm1 3.629 ppm2 1.878 CV 1 ASSI { 2030} (( segid " " and resid 204 and name HA )) ( segid " " and resid 208 and name HG2%) 3.200 1.200 1.200 peak 2030 spectrum 1 weight 0.11000E+01 volume 0.16093E-02 ppm1 3.632 ppm2 1.030 CV 1 ASSI { 2031} (( segid " " and resid 204 and name HB )) ( segid " " and resid 200 and name HG2%) 3.800 1.800 1.800 peak 2031 spectrum 1 weight 0.11000E+01 volume 0.18730E-02 ppm1 1.928 ppm2 0.638 CV 1 ASSI { 2033} (( segid " " and resid 204 and name HB )) (( segid " " and resid 203 and name HG1 )) 4.500 2.500 1.500 peak 2033 spectrum 1 weight 0.11000E+01 volume 0.11683E-02 ppm1 1.922 ppm2 1.557 CV 1 ASSI { 2037} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 145 and name HB2 )) 2.200 2.200 3.800 peak 2037 spectrum 1 weight 0.11000E+01 volume 0.11163E-02 ppm1 0.640 ppm2 1.376 CV 1 ASSI { 2038} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 148 and name HB1 )) 2.900 1.000 1.000 peak 2038 spectrum 1 weight 0.11000E+01 volume 0.10518E-02 ppm1 0.638 ppm2 2.755 CV 1 ASSI { 2039} ( segid " " and resid 204 and name HD1%) ( segid " " and resid 148 and name HD% ) 2.700 0.900 0.900 peak 2039 spectrum 1 weight 0.11000E+01 volume 0.50458E-02 ppm1 0.639 ppm2 6.875 CV 1 ASSI { 2040} ( segid " " and resid 204 and name HD1%) ( segid " " and resid 197 and name HD% ) 3.700 3.700 2.300 peak 2040 spectrum 1 weight 0.11000E+01 volume 0.13672E-02 ppm1 0.641 ppm2 7.360 CV 1 ASSI { 2042} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 201 and name HA )) 2.900 2.900 3.100 peak 2042 spectrum 1 weight 0.11000E+01 volume 0.96709E-03 ppm1 0.638 ppm2 4.539 CV 1 ASSI { 2043} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 203 and name HG1 )) 3.600 1.600 1.600 peak 2043 spectrum 1 weight 0.11000E+01 volume 0.50238E-02 ppm1 0.637 ppm2 1.564 CV 1 ASSI { 2044} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 204 and name HA )) 3.700 1.700 1.700 peak 2044 spectrum 1 weight 0.11000E+01 volume 0.22045E-02 ppm1 0.639 ppm2 3.607 CV 1 ASSI { 2045} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 204 and name HB )) 2.400 0.700 0.700 peak 2045 spectrum 1 weight 0.11000E+01 volume 0.48465E-02 ppm1 0.639 ppm2 1.916 CV 1 ASSI { 2046} ( segid " " and resid 204 and name HD1%) ( segid " " and resid 204 and name HG2%) 2.000 0.500 0.500 peak 2046 spectrum 1 weight 0.11000E+01 volume 0.13496E-01 ppm1 0.640 ppm2 0.800 CV 1 ASSI { 2047} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 206 and name HG1 )) 4.600 4.600 1.400 peak 2047 spectrum 1 weight 0.11000E+01 volume 0.11188E-02 ppm1 0.640 ppm2 2.518 CV 1 ASSI { 2048} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 207 and name HD1 )) 4.600 4.600 1.400 peak 2048 spectrum 1 weight 0.11000E+01 volume 0.14007E-02 ppm1 0.638 ppm2 3.246 CV 1 ASSI { 2049} (( segid " " and resid 204 and name HG12)) (( segid " " and resid 205 and name HB2 )) 3.800 1.800 1.800 peak 2049 spectrum 1 weight 0.11000E+01 volume 0.10600E-02 ppm1 1.301 ppm2 1.662 CV 1 OR { 2049} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 205 and name HB2 )) ASSI { 2050} (( segid " " and resid 204 and name HG11)) ( segid " " and resid 148 and name HD% ) 4.400 2.500 1.600 peak 2050 spectrum 1 weight 0.11000E+01 volume 0.67415E-03 ppm1 1.558 ppm2 6.870 CV 1 ASSI { 2051} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 203 and name HG2 )) 5.500 3.700 0.500 peak 2051 spectrum 1 weight 0.11000E+01 volume 0.12912E-02 ppm1 1.556 ppm2 1.428 CV 1 ASSI { 2053} (( segid " " and resid 204 and name HG11)) ( segid " " and resid 204 and name HD1%) 2.400 0.700 0.700 peak 2053 spectrum 1 weight 0.11000E+01 volume 0.33239E-02 ppm1 1.561 ppm2 0.654 CV 1 ASSI { 2054} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 204 and name HG12)) 1.800 0.400 0.400 peak 2054 spectrum 1 weight 0.11000E+01 volume 0.49536E-02 ppm1 1.556 ppm2 0.817 CV 1 ASSI { 2055} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 207 and name HB1 )) 3.700 3.700 2.300 peak 2055 spectrum 1 weight 0.11000E+01 volume 0.23099E-02 ppm1 1.559 ppm2 1.942 CV 1 ASSI { 2057} (( segid " " and resid 204 and name HG11)) ( segid " " and resid 208 and name HG2%) 4.700 2.700 1.300 peak 2057 spectrum 1 weight 0.11000E+01 volume 0.27619E-03 ppm1 1.559 ppm2 1.015 CV 1 ASSI { 2058} (( segid " " and resid 204 and name HG12)) (( segid " " and resid 204 and name HA )) 3.600 1.600 1.600 peak 2058 spectrum 1 weight 0.11000E+01 volume 0.88877E-03 ppm1 0.816 ppm2 3.628 CV 1 ASSI { 2059} (( segid " " and resid 204 and name HG12)) ( segid " " and resid 204 and name HD1%) 2.500 0.800 0.800 peak 2059 spectrum 1 weight 0.11000E+01 volume 0.24564E-02 ppm1 0.822 ppm2 0.659 CV 1 ASSI { 2062} (( segid " " and resid 204 and name HG12)) (( segid " " and resid 208 and name HB )) 4.600 4.600 1.400 peak 2062 spectrum 1 weight 0.11000E+01 volume 0.80550E-03 ppm1 0.808 ppm2 2.111 CV 1 ASSI { 2065} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 149 and name HB1 )) 3.300 1.400 1.400 peak 2065 spectrum 1 weight 0.11000E+01 volume 0.18123E-02 ppm1 0.803 ppm2 3.229 CV 1 ASSI { 2069} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 203 and name HG1 )) 3.100 1.200 1.200 peak 2069 spectrum 1 weight 0.11000E+01 volume 0.24799E-02 ppm1 0.802 ppm2 1.564 CV 1 ASSI { 2071} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 204 and name HB )) 2.300 0.700 0.700 peak 2071 spectrum 1 weight 0.11000E+01 volume 0.52133E-02 ppm1 0.803 ppm2 1.930 CV 1 ASSI { 2073} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 205 and name HB2 )) 4.500 2.500 1.500 peak 2073 spectrum 1 weight 0.11000E+01 volume 0.11813E-02 ppm1 0.765 ppm2 1.670 CV 1 ASSI { 2074} ( segid " " and resid 204 and name HG2%) ( segid " " and resid 208 and name HG1%) 4.000 2.000 2.000 peak 2074 spectrum 1 weight 0.11000E+01 volume 0.21322E-02 ppm1 0.798 ppm2 1.105 CV 1 ASSI { 2075} ( segid " " and resid 204 and name HG2%) ( segid " " and resid 208 and name HG2%) 3.100 1.200 1.200 peak 2075 spectrum 1 weight 0.11000E+01 volume 0.38380E-02 ppm1 0.798 ppm2 1.018 CV 1 ASSI { 2076} (( segid " " and resid 205 and name HA )) ( segid " " and resid 156 and name HD% ) 4.400 2.400 1.600 peak 2076 spectrum 1 weight 0.11000E+01 volume 0.46713E-03 ppm1 3.439 ppm2 7.031 CV 1 ASSI { 2077} (( segid " " and resid 205 and name HA )) ( segid " " and resid 183 and name HG1%) 3.700 1.700 1.700 peak 2077 spectrum 1 weight 0.11000E+01 volume 0.19609E-02 ppm1 3.440 ppm2 1.046 CV 1 ASSI { 2078} (( segid " " and resid 205 and name HA )) (( segid " " and resid 203 and name HE2 )) 5.300 5.300 0.700 peak 2078 spectrum 1 weight 0.11000E+01 volume 0.28238E-03 ppm1 3.431 ppm2 2.901 CV 1 OR { 2078} (( segid " " and resid 205 and name HA )) (( segid " " and resid 203 and name HE1 )) ASSI { 2079} (( segid " " and resid 205 and name HA )) ( segid " " and resid 204 and name HG2%) 4.300 2.300 1.700 peak 2079 spectrum 1 weight 0.11000E+01 volume 0.10047E-02 ppm1 3.445 ppm2 0.786 CV 1 ASSI { 2080} (( segid " " and resid 205 and name HA )) (( segid " " and resid 205 and name HB1 )) 2.800 1.000 1.000 peak 2080 spectrum 1 weight 0.11000E+01 volume 0.38374E-02 ppm1 3.440 ppm2 1.987 CV 1 ASSI { 2082} (( segid " " and resid 205 and name HA )) (( segid " " and resid 206 and name HA )) 3.900 1.900 1.900 peak 2082 spectrum 1 weight 0.11000E+01 volume 0.72067E-03 ppm1 3.434 ppm2 3.637 CV 1 ASSI { 2083} (( segid " " and resid 205 and name HA )) (( segid " " and resid 207 and name HD2 )) 4.200 2.200 1.800 peak 2083 spectrum 1 weight 0.11000E+01 volume 0.96450E-03 ppm1 3.433 ppm2 3.210 CV 1 ASSI { 2084} (( segid " " and resid 205 and name HA )) (( segid " " and resid 208 and name HB )) 2.900 1.100 1.100 peak 2084 spectrum 1 weight 0.11000E+01 volume 0.17907E-02 ppm1 3.443 ppm2 2.100 CV 1 ASSI { 2088} (( segid " " and resid 159 and name HB1 )) (( segid " " and resid 131 and name HN )) 4.400 2.500 1.600 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.47884E-03 ppm1 1.985 ppm2 8.346 CV 1 ASSI { 2089} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 201 and name HA )) 4.200 2.200 1.800 peak 2089 spectrum 1 weight 0.11000E+01 volume 0.98737E-03 ppm1 1.970 ppm2 4.548 CV 1 ASSI { 2092} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 208 and name HB )) 3.300 3.300 2.700 peak 2092 spectrum 1 weight 0.11000E+01 volume 0.43152E-02 ppm1 1.983 ppm2 2.102 CV 1 ASSI { 2093} (( segid " " and resid 205 and name HB1 )) ( segid " " and resid 209 and name HG1%) 5.200 5.200 0.800 peak 2093 spectrum 1 weight 0.11000E+01 volume 0.28708E-03 ppm1 1.960 ppm2 0.906 CV 1 ASSI { 2095} (( segid " " and resid 205 and name HB2 )) (( segid " " and resid 201 and name HA )) 2.200 2.200 3.800 peak 2095 spectrum 1 weight 0.11000E+01 volume 0.10827E-02 ppm1 1.664 ppm2 4.564 CV 1 ASSI { 2096} (( segid " " and resid 205 and name HB2 )) (( segid " " and resid 205 and name HB1 )) 1.900 0.400 0.400 peak 2096 spectrum 1 weight 0.11000E+01 volume 0.42232E-02 ppm1 1.669 ppm2 1.981 CV 1 ASSI { 2097} (( segid " " and resid 205 and name HB2 )) (( segid " " and resid 206 and name HG2 )) 4.500 2.500 1.500 peak 2097 spectrum 1 weight 0.11000E+01 volume 0.22181E-02 ppm1 1.667 ppm2 2.120 CV 1 ASSI { 2098} (( segid " " and resid 205 and name HB2 )) ( segid " " and resid 209 and name HG2%) 4.600 2.600 1.400 peak 2098 spectrum 1 weight 0.11000E+01 volume 0.45437E-03 ppm1 1.654 ppm2 1.230 CV 1 ASSI { 2099} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 156 and name HB2 )) 4.200 2.300 1.800 peak 2099 spectrum 1 weight 0.11000E+01 volume 0.21488E-02 ppm1 1.493 ppm2 3.023 CV 1 ASSI { 2100} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 156 and name HD% ) 3.300 1.300 1.300 peak 2100 spectrum 1 weight 0.11000E+01 volume 0.24268E-02 ppm1 1.494 ppm2 7.024 CV 1 ASSI { 2101} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 183 and name HB )) 3.200 1.200 1.200 peak 2101 spectrum 1 weight 0.11000E+01 volume 0.17004E-02 ppm1 1.493 ppm2 2.285 CV 1 ASSI { 2102} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 183 and name HG1%) 3.100 1.200 1.200 peak 2102 spectrum 1 weight 0.11000E+01 volume 0.66065E-02 ppm1 1.494 ppm2 1.037 CV 1 ASSI { 2103} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 183 and name HG2%) 2.600 0.900 0.900 peak 2103 spectrum 1 weight 0.11000E+01 volume 0.10615E-01 ppm1 1.494 ppm2 0.972 CV 1 ASSI { 2105} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 197 and name HA )) 2.300 2.300 3.700 peak 2105 spectrum 1 weight 0.11000E+01 volume 0.90294E-03 ppm1 1.496 ppm2 4.980 CV 1 ASSI { 2106} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 197 and name HB1 )) 1.900 1.900 4.100 peak 2106 spectrum 1 weight 0.11000E+01 volume 0.30929E-02 ppm1 1.481 ppm2 3.220 CV 1 ASSI { 2107} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 197 and name HD% ) 2.600 2.600 3.400 peak 2107 spectrum 1 weight 0.11000E+01 volume 0.56599E-02 ppm1 1.492 ppm2 7.362 CV 1 ASSI { 2108} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 197 and name HE% ) 1.800 1.800 4.200 peak 2108 spectrum 1 weight 0.11000E+01 volume 0.34728E-02 ppm1 1.492 ppm2 6.915 CV 1 ASSI { 2111} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 202 and name HA )) 2.000 0.500 0.500 peak 2111 spectrum 1 weight 0.11000E+01 volume 0.10363E-01 ppm1 1.489 ppm2 3.406 CV 1 ASSI { 2112} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 202 and name HB )) 2.700 2.700 3.300 peak 2112 spectrum 1 weight 0.11000E+01 volume 0.14345E-01 ppm1 1.492 ppm2 1.969 CV 1 ASSI { 2113} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 202 and name HD1%) 2.900 1.000 1.000 peak 2113 spectrum 1 weight 0.11000E+01 volume 0.81331E-02 ppm1 1.492 ppm2 0.721 CV 1 ASSI { 2114} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 203 and name HA )) 4.000 2.000 2.000 peak 2114 spectrum 1 weight 0.11000E+01 volume 0.13701E-02 ppm1 1.495 ppm2 4.064 CV 1 ASSI { 2115} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 204 and name HA )) 3.700 3.700 2.300 peak 2115 spectrum 1 weight 0.11000E+01 volume 0.31164E-02 ppm1 1.490 ppm2 3.623 CV 1 ASSI { 2116} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 204 and name HB )) 3.000 3.000 3.000 peak 2116 spectrum 1 weight 0.11000E+01 volume 0.14345E-01 ppm1 1.492 ppm2 1.969 CV 1 ASSI { 2117} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 205 and name HA )) 3.300 1.300 1.300 peak 2117 spectrum 1 weight 0.11000E+01 volume 0.10363E-01 ppm1 1.492 ppm2 3.418 CV 1 ASSI { 2118} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 206 and name HG1 )) 2.400 0.700 0.700 peak 2118 spectrum 1 weight 0.11000E+01 volume 0.27506E-02 ppm1 1.492 ppm2 2.589 CV 1 ASSI { 2119} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 209 and name HG1%) 3.000 3.000 3.000 peak 2119 spectrum 1 weight 0.11000E+01 volume 0.11604E-01 ppm1 1.492 ppm2 0.950 CV 1 ASSI { 2120} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 209 and name HG2%) 3.000 3.000 3.000 peak 2120 spectrum 1 weight 0.11000E+01 volume 0.89706E-02 ppm1 1.492 ppm2 1.231 CV 1 ASSI { 2121} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 156 and name HB2 )) 5.300 5.300 0.700 peak 2121 spectrum 1 weight 0.11000E+01 volume 0.84008E-03 ppm1 1.998 ppm2 3.110 CV 1 ASSI { 2123} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 183 and name HB )) 2.400 0.700 0.700 peak 2123 spectrum 1 weight 0.11000E+01 volume 0.40015E-02 ppm1 2.021 ppm2 2.289 CV 1 ASSI { 2124} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 203 and name HA )) 3.700 3.700 2.300 peak 2124 spectrum 1 weight 0.11000E+01 volume 0.19977E-02 ppm1 2.004 ppm2 4.069 CV 1 ASSI { 2125} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 204 and name HG12)) 4.800 2.900 1.200 peak 2125 spectrum 1 weight 0.11000E+01 volume 0.12922E-02 ppm1 2.004 ppm2 0.836 CV 1 ASSI { 2126} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 205 and name HA )) 3.200 1.300 1.300 peak 2126 spectrum 1 weight 0.11000E+01 volume 0.18486E-02 ppm1 2.000 ppm2 3.436 CV 1 ASSI { 2127} (( segid " " and resid 205 and name HG2 )) ( segid " " and resid 205 and name HE% ) 2.900 1.000 1.000 peak 2127 spectrum 1 weight 0.11000E+01 volume 0.26780E-02 ppm1 2.004 ppm2 1.518 CV 1 ASSI { 2128} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 209 and name HA )) 4.500 2.500 1.500 peak 2128 spectrum 1 weight 0.11000E+01 volume 0.69191E-03 ppm1 2.013 ppm2 3.655 CV 1 ASSI { 2130} (( segid " " and resid 206 and name HA )) ( segid " " and resid 183 and name HG1%) 2.700 0.900 0.900 peak 2130 spectrum 1 weight 0.11000E+01 volume 0.19227E-02 ppm1 3.617 ppm2 1.008 CV 1 ASSI { 2131} (( segid " " and resid 206 and name HA )) ( segid " " and resid 183 and name HG2%) 3.800 1.800 1.800 peak 2131 spectrum 1 weight 0.11000E+01 volume 0.20645E-02 ppm1 3.631 ppm2 0.975 CV 1 ASSI { 2132} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HB1 )) 2.900 1.000 1.000 peak 2132 spectrum 1 weight 0.11000E+01 volume 0.12249E-02 ppm1 3.618 ppm2 2.224 CV 1 ASSI { 2133} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HB2 )) 3.400 1.400 1.400 peak 2133 spectrum 1 weight 0.11000E+01 volume 0.18965E-02 ppm1 3.628 ppm2 1.954 CV 1 ASSI { 2134} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HG1 )) 4.000 2.000 2.000 peak 2134 spectrum 1 weight 0.11000E+01 volume 0.63788E-03 ppm1 3.625 ppm2 2.558 CV 1 ASSI { 2136} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 202 and name HB )) 2.900 1.000 1.000 peak 2136 spectrum 1 weight 0.11000E+01 volume 0.22804E-02 ppm1 2.562 ppm2 1.958 CV 1 ASSI { 2137} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 203 and name HA )) 3.400 1.400 1.400 peak 2137 spectrum 1 weight 0.11000E+01 volume 0.66363E-03 ppm1 2.568 ppm2 4.072 CV 1 ASSI { 2139} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 206 and name HG2 )) 1.700 0.400 0.500 peak 2139 spectrum 1 weight 0.11000E+01 volume 0.77449E-02 ppm1 2.570 ppm2 2.122 CV 1 ASSI { 2140} (( segid " " and resid 206 and name HG1 )) ( segid " " and resid 209 and name HG1%) 4.200 4.200 1.800 peak 2140 spectrum 1 weight 0.11000E+01 volume 0.17156E-02 ppm1 2.575 ppm2 0.991 CV 1 ASSI { 2142} (( segid " " and resid 206 and name HG2 )) ( segid " " and resid 205 and name HE% ) 3.700 1.700 1.700 peak 2142 spectrum 1 weight 0.11000E+01 volume 0.46373E-03 ppm1 2.134 ppm2 1.473 CV 1 ASSI { 2143} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 206 and name HA )) 3.300 1.300 1.300 peak 2143 spectrum 1 weight 0.11000E+01 volume 0.88540E-03 ppm1 2.134 ppm2 3.645 CV 1 ASSI { 2148} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HB1 )) 2.500 0.800 0.800 peak 2148 spectrum 1 weight 0.11000E+01 volume 0.62220E-02 ppm1 4.117 ppm2 1.937 CV 1 ASSI { 2149} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HD2 )) 5.100 5.100 0.900 peak 2149 spectrum 1 weight 0.11000E+01 volume 0.43315E-03 ppm1 4.104 ppm2 3.201 CV 1 ASSI { 2150} (( segid " " and resid 207 and name HA )) ( segid " " and resid 208 and name HG1%) 4.700 4.700 1.300 peak 2150 spectrum 1 weight 0.11000E+01 volume 0.58681E-03 ppm1 4.171 ppm2 1.070 CV 1 ASSI { 2151} (( segid " " and resid 207 and name HA )) (( segid " " and resid 210 and name HB1 )) 2.300 0.700 0.700 peak 2151 spectrum 1 weight 0.11000E+01 volume 0.56842E-02 ppm1 4.174 ppm2 2.165 CV 1 ASSI { 2152} (( segid " " and resid 207 and name HA )) (( segid " " and resid 210 and name HG2 )) 3.300 1.300 1.300 peak 2152 spectrum 1 weight 0.11000E+01 volume 0.86545E-03 ppm1 4.119 ppm2 2.335 CV 1 ASSI { 2154} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 203 and name HG1 )) 3.400 1.500 1.500 peak 2154 spectrum 1 weight 0.11000E+01 volume 0.21242E-02 ppm1 1.926 ppm2 1.572 CV 1 ASSI { 2155} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 203 and name HG2 )) 4.800 2.900 1.200 peak 2155 spectrum 1 weight 0.11000E+01 volume 0.55809E-03 ppm1 1.929 ppm2 1.401 CV 1 ASSI { 2156} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 206 and name HA )) 4.300 2.300 1.700 peak 2156 spectrum 1 weight 0.11000E+01 volume 0.52991E-03 ppm1 1.926 ppm2 3.637 CV 1 ASSI { 2158} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 207 and name HD2 )) 3.500 1.600 1.600 peak 2158 spectrum 1 weight 0.11000E+01 volume 0.16575E-02 ppm1 1.926 ppm2 3.191 CV 1 ASSI { 2159} (( segid " " and resid 207 and name HD2 )) (( segid " " and resid 203 and name HB1 )) 1.600 1.600 4.400 peak 2159 spectrum 1 weight 0.11000E+01 volume 0.71918E-02 ppm1 3.197 ppm2 1.897 CV 1 ASSI { 2160} (( segid " " and resid 207 and name HD2 )) (( segid " " and resid 211 and name HG2 )) 5.100 3.300 0.900 peak 2160 spectrum 1 weight 0.11000E+01 volume 0.22245E-03 ppm1 3.187 ppm2 2.414 CV 1 ASSI { 2161} (( segid " " and resid 207 and name HG2 )) (( segid " " and resid 204 and name HG11)) 3.700 1.800 1.800 peak 2161 spectrum 1 weight 0.11000E+01 volume 0.18700E-02 ppm1 1.796 ppm2 1.572 CV 1 ASSI { 2163} (( segid " " and resid 207 and name HG2 )) (( segid " " and resid 207 and name HD2 )) 2.600 0.800 0.800 peak 2163 spectrum 1 weight 0.11000E+01 volume 0.17763E-02 ppm1 1.786 ppm2 3.175 CV 1 ASSI { 2165} (( segid " " and resid 208 and name HA )) (( segid " " and resid 138 and name HG11)) 4.000 2.000 2.000 peak 2165 spectrum 1 weight 0.11000E+01 volume 0.43960E-03 ppm1 3.519 ppm2 0.718 CV 1 ASSI { 2166} (( segid " " and resid 208 and name HA )) (( segid " " and resid 138 and name HG12)) 4.300 2.300 1.700 peak 2166 spectrum 1 weight 0.11000E+01 volume 0.10003E-02 ppm1 3.514 ppm2 0.887 CV 1 ASSI { 2167} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HB )) 3.000 1.100 1.100 peak 2167 spectrum 1 weight 0.11000E+01 volume 0.20478E-02 ppm1 3.522 ppm2 2.111 CV 1 ASSI { 2169} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HN )) 3.100 1.200 1.200 peak 2169 spectrum 1 weight 0.11000E+01 volume 0.99904E-03 ppm1 3.525 ppm2 8.288 CV 1 ASSI { 2170} (( segid " " and resid 208 and name HA )) (( segid " " and resid 209 and name HA )) 3.600 1.600 1.600 peak 2170 spectrum 1 weight 0.11000E+01 volume 0.10848E-02 ppm1 3.517 ppm2 3.673 CV 1 ASSI { 2171} (( segid " " and resid 208 and name HA )) (( segid " " and resid 210 and name HB1 )) 3.700 1.700 1.700 peak 2171 spectrum 1 weight 0.11000E+01 volume 0.12442E-02 ppm1 3.524 ppm2 2.160 CV 1 ASSI { 2175} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 133 and name HG2 )) 4.600 2.700 1.400 peak 2175 spectrum 1 weight 0.11000E+01 volume 0.11094E-02 ppm1 1.112 ppm2 2.458 CV 1 ASSI { 2177} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 135 and name HD1 )) 2.100 2.100 3.900 peak 2177 spectrum 1 weight 0.11000E+01 volume 0.13459E-02 ppm1 1.114 ppm2 3.077 CV 1 ASSI { 2178} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 136 and name HD1 )) 2.900 1.100 1.100 peak 2178 spectrum 1 weight 0.11000E+01 volume 0.15726E-02 ppm1 1.114 ppm2 3.893 CV 1 ASSI { 2179} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 136 and name HD2 )) 2.600 0.900 0.900 peak 2179 spectrum 1 weight 0.11000E+01 volume 0.31960E-02 ppm1 1.116 ppm2 3.631 CV 1 ASSI { 2180} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 136 and name HG1 )) 3.400 1.500 1.500 peak 2180 spectrum 1 weight 0.11000E+01 volume 0.15421E-02 ppm1 1.109 ppm2 1.763 CV 1 ASSI { 2183} ( segid " " and resid 208 and name HG1%) ( segid " " and resid 149 and name HD% ) 4.200 4.200 1.800 peak 2183 spectrum 1 weight 0.11000E+01 volume 0.60195E-03 ppm1 1.121 ppm2 6.569 CV 1 ASSI { 2184} ( segid " " and resid 208 and name HG1%) ( segid " " and resid 138 and name HD1%) 2.900 1.100 1.100 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.20614E-02 ppm1 1.117 ppm2 0.416 CV 1 ASSI { 2185} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 207 and name HD2 )) 4.400 2.400 1.600 peak 2185 spectrum 1 weight 0.11000E+01 volume 0.14363E-02 ppm1 1.109 ppm2 3.187 CV 1 ASSI { 2186} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 207 and name HE )) 4.700 2.700 1.300 peak 2186 spectrum 1 weight 0.11000E+01 volume 0.75726E-03 ppm1 1.114 ppm2 7.340 CV 1 ASSI { 2187} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 208 and name HA )) 2.500 0.800 0.800 peak 2187 spectrum 1 weight 0.11000E+01 volume 0.39506E-02 ppm1 1.113 ppm2 3.503 CV 1 ASSI { 2188} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 208 and name HB )) 2.200 0.600 0.600 peak 2188 spectrum 1 weight 0.11000E+01 volume 0.77175E-02 ppm1 1.113 ppm2 2.090 CV 1 ASSI { 2189} ( segid " " and resid 208 and name HG1%) ( segid " " and resid 208 and name HG2%) 2.000 0.500 0.500 peak 2189 spectrum 1 weight 0.11000E+01 volume 0.16320E-01 ppm1 1.110 ppm2 1.006 CV 1 ASSI { 2190} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 209 and name HA )) 2.900 1.100 1.100 peak 2190 spectrum 1 weight 0.11000E+01 volume 0.26130E-02 ppm1 1.106 ppm2 3.685 CV 1 ASSI { 2191} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 209 and name HB )) 3.500 1.500 1.500 peak 2191 spectrum 1 weight 0.11000E+01 volume 0.28469E-02 ppm1 1.110 ppm2 2.192 CV 1 ASSI { 2192} ( segid " " and resid 208 and name HG1%) ( segid " " and resid 209 and name HG2%) 2.700 2.700 3.300 peak 2192 spectrum 1 weight 0.11000E+01 volume 0.10590E-01 ppm1 1.114 ppm2 1.222 CV 1 ASSI { 2193} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 211 and name HG2 )) 4.000 2.000 2.000 peak 2193 spectrum 1 weight 0.11000E+01 volume 0.71840E-03 ppm1 1.110 ppm2 2.423 CV 1 ASSI { 2194} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 212 and name HA )) 4.600 2.600 1.400 peak 2194 spectrum 1 weight 0.11000E+01 volume 0.62602E-03 ppm1 1.112 ppm2 4.091 CV 1 ASSI { 2195} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 212 and name HG1 )) 4.100 2.100 1.900 peak 2195 spectrum 1 weight 0.11000E+01 volume 0.95243E-03 ppm1 1.116 ppm2 2.747 CV 1 ASSI { 2196} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 156 and name HB1 )) 3.900 3.900 2.100 peak 2196 spectrum 1 weight 0.11000E+01 volume 0.12302E-02 ppm1 1.074 ppm2 3.216 CV 1 ASSI { 2199} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 205 and name HB1 )) 3.500 1.500 1.500 peak 2199 spectrum 1 weight 0.11000E+01 volume 0.25485E-02 ppm1 1.068 ppm2 1.978 CV 1 ASSI { 2200} ( segid " " and resid 208 and name HG2%) ( segid " " and resid 205 and name HE% ) 2.200 2.200 3.800 peak 2200 spectrum 1 weight 0.11000E+01 volume 0.10376E-02 ppm1 1.068 ppm2 1.498 CV 1 ASSI { 2201} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 208 and name HA )) 2.400 2.400 3.600 peak 2201 spectrum 1 weight 0.11000E+01 volume 0.58751E-02 ppm1 1.072 ppm2 3.560 CV 1 ASSI { 2202} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 209 and name HA )) 3.200 3.200 2.800 peak 2202 spectrum 1 weight 0.11000E+01 volume 0.53606E-02 ppm1 1.068 ppm2 3.656 CV 1 ASSI { 2203} ( segid " " and resid 208 and name HG2%) ( segid " " and resid 209 and name HG1%) 2.700 2.700 3.300 peak 2203 spectrum 1 weight 0.11000E+01 volume 0.18429E-01 ppm1 1.071 ppm2 0.922 CV 1 ASSI { 2204} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 210 and name HG1 )) 3.100 3.100 2.900 peak 2204 spectrum 1 weight 0.11000E+01 volume 0.93251E-02 ppm1 1.067 ppm2 2.139 CV 1 ASSI { 2207} (( segid " " and resid 209 and name HA )) (( segid " " and resid 209 and name HB )) 2.800 1.000 1.000 peak 2207 spectrum 1 weight 0.11000E+01 volume 0.25902E-02 ppm1 3.659 ppm2 2.192 CV 1 ASSI { 2208} (( segid " " and resid 209 and name HA )) ( segid " " and resid 209 and name HG1%) 2.700 0.900 0.900 peak 2208 spectrum 1 weight 0.11000E+01 volume 0.53146E-02 ppm1 3.674 ppm2 0.950 CV 1 ASSI { 2209} (( segid " " and resid 209 and name HA )) ( segid " " and resid 212 and name HE% ) 3.200 1.200 1.200 peak 2209 spectrum 1 weight 0.11000E+01 volume 0.28513E-02 ppm1 3.657 ppm2 2.169 CV 1 ASSI { 2210} (( segid " " and resid 209 and name HA )) (( segid " " and resid 212 and name HG1 )) 3.500 1.500 1.500 peak 2210 spectrum 1 weight 0.11000E+01 volume 0.50262E-03 ppm1 3.664 ppm2 2.743 CV 1 ASSI { 2211} (( segid " " and resid 209 and name HA )) (( segid " " and resid 212 and name HG2 )) 3.300 1.300 1.300 peak 2211 spectrum 1 weight 0.11000E+01 volume 0.74050E-03 ppm1 3.657 ppm2 2.487 CV 1 ASSI { 2213} (( segid " " and resid 209 and name HB )) (( segid " " and resid 206 and name HA )) 3.500 1.600 1.600 peak 2213 spectrum 1 weight 0.11000E+01 volume 0.94156E-03 ppm1 2.177 ppm2 3.638 CV 1 ASSI { 2217} (( segid " " and resid 209 and name HB )) (( segid " " and resid 210 and name HN )) 4.600 2.700 1.400 peak 2217 spectrum 1 weight 0.11000E+01 volume 0.23867E-03 ppm1 2.151 ppm2 8.160 CV 1 ASSI { 2219} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 160 and name HG2%) 3.200 1.300 1.300 peak 2219 spectrum 1 weight 0.11000E+01 volume 0.61645E-02 ppm1 0.938 ppm2 0.782 CV 1 ASSI { 2220} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 175 and name HG2%) 3.100 3.100 2.900 peak 2220 spectrum 1 weight 0.11000E+01 volume 0.72754E-02 ppm1 0.937 ppm2 1.066 CV 1 ASSI { 2221} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 178 and name HB2 )) 4.000 2.000 2.000 peak 2221 spectrum 1 weight 0.11000E+01 volume 0.10618E-02 ppm1 0.941 ppm2 3.164 CV 1 ASSI { 2222} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 205 and name HA )) 3.800 1.800 1.800 peak 2222 spectrum 1 weight 0.11000E+01 volume 0.10660E-02 ppm1 0.938 ppm2 3.448 CV 1 ASSI { 2224} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 205 and name HG2 )) 2.700 0.900 0.900 peak 2224 spectrum 1 weight 0.11000E+01 volume 0.35364E-02 ppm1 0.940 ppm2 1.992 CV 1 ASSI { 2225} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 206 and name HA )) 2.400 0.700 0.700 peak 2225 spectrum 1 weight 0.11000E+01 volume 0.40876E-02 ppm1 0.931 ppm2 3.641 CV 1 ASSI { 2226} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 206 and name HG2 )) 3.300 1.300 1.300 peak 2226 spectrum 1 weight 0.11000E+01 volume 0.46448E-02 ppm1 0.940 ppm2 2.136 CV 1 ASSI { 2229} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 209 and name HB )) 2.300 0.600 0.600 peak 2229 spectrum 1 weight 0.11000E+01 volume 0.52427E-02 ppm1 0.939 ppm2 2.171 CV 1 ASSI { 2231} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 212 and name HE% ) 3.200 3.200 2.800 peak 2231 spectrum 1 weight 0.11000E+01 volume 0.44149E-02 ppm1 0.937 ppm2 2.196 CV 1 ASSI { 2232} ( segid " " and resid 209 and name HG2%) ( segid " " and resid 133 and name HE% ) 3.700 1.700 1.700 peak 2232 spectrum 1 weight 0.11000E+01 volume 0.91137E-03 ppm1 1.233 ppm2 1.928 CV 1 ASSI { 2234} ( segid " " and resid 209 and name HG2%) ( segid " " and resid 160 and name HG2%) 3.900 1.900 1.900 peak 2234 spectrum 1 weight 0.11000E+01 volume 0.13917E-02 ppm1 1.221 ppm2 0.746 CV 1 ASSI { 2235} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 182 and name HB )) 2.900 1.100 1.100 peak 2235 spectrum 1 weight 0.11000E+01 volume 0.26705E-02 ppm1 1.217 ppm2 4.504 CV 1 ASSI { 2238} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 209 and name HA )) 2.300 0.700 0.700 peak 2238 spectrum 1 weight 0.11000E+01 volume 0.50352E-02 ppm1 1.220 ppm2 3.668 CV 1 ASSI { 2239} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 209 and name HB )) 2.400 0.700 0.700 peak 2239 spectrum 1 weight 0.11000E+01 volume 0.42890E-02 ppm1 1.215 ppm2 2.164 CV 1 ASSI { 2240} ( segid " " and resid 209 and name HG2%) ( segid " " and resid 209 and name HG1%) 2.200 0.600 0.600 peak 2240 spectrum 1 weight 0.11000E+01 volume 0.10197E-01 ppm1 1.219 ppm2 0.942 CV 1 ASSI { 2242} (( segid " " and resid 210 and name HA )) ( segid " " and resid 179 and name HG1%) 2.200 0.600 0.600 peak 2242 spectrum 1 weight 0.11000E+01 volume 0.32711E-02 ppm1 3.548 ppm2 1.059 CV 1 ASSI { 2243} (( segid " " and resid 210 and name HA )) (( segid " " and resid 207 and name HA )) 4.700 2.800 1.300 peak 2243 spectrum 1 weight 0.11000E+01 volume 0.76305E-03 ppm1 3.564 ppm2 4.153 CV 1 ASSI { 2244} (( segid " " and resid 210 and name HA )) (( segid " " and resid 211 and name HA )) 3.600 1.600 1.600 peak 2244 spectrum 1 weight 0.11000E+01 volume 0.86799E-03 ppm1 3.548 ppm2 3.979 CV 1 ASSI { 2245} (( segid " " and resid 210 and name HA )) (( segid " " and resid 213 and name HB2 )) 2.900 1.100 1.100 peak 2245 spectrum 1 weight 0.11000E+01 volume 0.12957E-02 ppm1 3.556 ppm2 2.881 CV 1 ASSI { 2247} (( segid " " and resid 210 and name HB1 )) (( segid " " and resid 209 and name HA )) 5.000 3.200 1.000 peak 2247 spectrum 1 weight 0.11000E+01 volume 0.37311E-03 ppm1 2.152 ppm2 3.655 CV 1 ASSI { 2249} (( segid " " and resid 210 and name HB1 )) (( segid " " and resid 213 and name HN )) 4.400 2.400 1.600 peak 2249 spectrum 1 weight 0.11000E+01 volume 0.66489E-03 ppm1 2.159 ppm2 9.245 CV 1 ASSI { 2250} (( segid " " and resid 210 and name HG2 )) (( segid " " and resid 207 and name HB2 )) 3.400 3.400 2.600 peak 2250 spectrum 1 weight 0.11000E+01 volume 0.17888E-02 ppm1 2.328 ppm2 1.868 CV 1 ASSI { 2251} (( segid " " and resid 210 and name HG2 )) (( segid " " and resid 211 and name HG1 )) 4.100 2.100 1.900 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.13333E-02 ppm1 2.328 ppm2 2.497 CV 1 ASSI { 2252} (( segid " " and resid 211 and name HA )) (( segid " " and resid 176 and name HN )) 4.000 4.000 2.000 peak 2252 spectrum 1 weight 0.11000E+01 volume 0.85480E-03 ppm1 3.975 ppm2 8.392 CV 1 ASSI { 2253} (( segid " " and resid 211 and name HA )) ( segid " " and resid 179 and name HG1%) 4.600 2.600 1.400 peak 2253 spectrum 1 weight 0.11000E+01 volume 0.66476E-03 ppm1 3.965 ppm2 1.056 CV 1 ASSI { 2254} (( segid " " and resid 211 and name HA )) (( segid " " and resid 207 and name HA )) 4.600 2.700 1.400 peak 2254 spectrum 1 weight 0.11000E+01 volume 0.62904E-03 ppm1 3.981 ppm2 4.149 CV 1 ASSI { 2255} (( segid " " and resid 211 and name HA )) (( segid " " and resid 211 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.11000E+01 volume 0.31996E-02 ppm1 3.969 ppm2 2.179 CV 1 ASSI { 2256} (( segid " " and resid 211 and name HA )) (( segid " " and resid 211 and name HB2 )) 2.800 1.000 1.000 peak 2256 spectrum 1 weight 0.11000E+01 volume 0.25650E-02 ppm1 3.969 ppm2 2.222 CV 1 ASSI { 2258} (( segid " " and resid 211 and name HA )) (( segid " " and resid 211 and name HG2 )) 4.100 2.100 1.900 peak 2258 spectrum 1 weight 0.11000E+01 volume 0.13636E-02 ppm1 3.969 ppm2 2.402 CV 1 ASSI { 2260} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 138 and name HG11)) 3.700 1.700 1.700 peak 2260 spectrum 1 weight 0.11000E+01 volume 0.19734E-02 ppm1 2.499 ppm2 0.746 CV 1 ASSI { 2261} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 207 and name HA )) 3.300 3.300 2.700 peak 2261 spectrum 1 weight 0.11000E+01 volume 0.36830E-02 ppm1 2.496 ppm2 4.180 CV 1 ASSI { 2262} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 207 and name HG2 )) 2.200 2.200 3.800 peak 2262 spectrum 1 weight 0.11000E+01 volume 0.12309E-02 ppm1 2.485 ppm2 1.781 CV 1 ASSI { 2263} (( segid " " and resid 211 and name HG1 )) ( segid " " and resid 208 and name HG2%) 6.000 5.600 0.000 peak 2263 spectrum 1 weight 0.11000E+01 volume 0.74956E-04 ppm1 2.490 ppm2 1.021 CV 1 ASSI { 2264} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 210 and name HB1 )) 2.600 2.600 3.400 peak 2264 spectrum 1 weight 0.11000E+01 volume 0.24788E-01 ppm1 2.497 ppm2 2.170 CV 1 ASSI { 2265} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 211 and name HA )) 3.000 1.100 1.100 peak 2265 spectrum 1 weight 0.11000E+01 volume 0.42880E-02 ppm1 2.490 ppm2 3.936 CV 1 ASSI { 2266} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 211 and name HB1 )) 2.100 0.600 0.600 peak 2266 spectrum 1 weight 0.11000E+01 volume 0.24788E-01 ppm1 2.497 ppm2 2.170 CV 1 ASSI { 2267} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 215 and name HG1 )) 3.300 1.300 1.300 peak 2267 spectrum 1 weight 0.11000E+01 volume 0.14430E-02 ppm1 2.475 ppm2 1.239 CV 1 ASSI { 2269} (( segid " " and resid 212 and name HA )) (( segid " " and resid 212 and name HB1 )) 2.700 0.900 0.900 peak 2269 spectrum 1 weight 0.11000E+01 volume 0.22591E-02 ppm1 4.116 ppm2 2.182 CV 1 ASSI { 2270} (( segid " " and resid 212 and name HA )) (( segid " " and resid 212 and name HG1 )) 3.600 1.600 1.600 peak 2270 spectrum 1 weight 0.11000E+01 volume 0.10436E-02 ppm1 4.115 ppm2 2.747 CV 1 ASSI { 2271} (( segid " " and resid 212 and name HA )) (( segid " " and resid 212 and name HG2 )) 3.600 1.700 1.700 peak 2271 spectrum 1 weight 0.11000E+01 volume 0.14713E-02 ppm1 4.120 ppm2 2.483 CV 1 ASSI { 2272} (( segid " " and resid 212 and name HA )) (( segid " " and resid 215 and name HB )) 2.800 1.000 1.000 peak 2272 spectrum 1 weight 0.11000E+01 volume 0.19244E-02 ppm1 4.116 ppm2 4.313 CV 1 ASSI { 2274} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 131 and name HB2 )) 3.900 3.900 2.100 peak 2274 spectrum 1 weight 0.11000E+01 volume 0.17224E-02 ppm1 2.184 ppm2 3.910 CV 1 ASSI { 2276} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 212 and name HB2 )) 1.500 1.500 4.500 peak 2276 spectrum 1 weight 0.11000E+01 volume 0.28687E-01 ppm1 2.189 ppm2 2.330 CV 1 ASSI { 2277} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 213 and name HN )) 3.900 3.900 2.100 peak 2277 spectrum 1 weight 0.11000E+01 volume 0.76907E-03 ppm1 2.180 ppm2 9.268 CV 1 ASSI { 2278} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 216 and name HN )) 3.600 1.600 1.600 peak 2278 spectrum 1 weight 0.11000E+01 volume 0.25852E-02 ppm1 2.183 ppm2 8.723 CV 1 ASSI { 2279} (( segid " " and resid 212 and name HB2 )) (( segid " " and resid 212 and name HA )) 2.600 2.600 3.400 peak 2279 spectrum 1 weight 0.11000E+01 volume 0.28476E-02 ppm1 2.321 ppm2 4.055 CV 1 ASSI { 2281} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 133 and name HA )) 4.200 2.200 1.800 peak 2281 spectrum 1 weight 0.11000E+01 volume 0.19154E-02 ppm1 2.182 ppm2 4.747 CV 1 ASSI { 2283} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 135 and name HG1 )) 2.000 2.000 4.000 peak 2283 spectrum 1 weight 0.11000E+01 volume 0.20293E-02 ppm1 2.182 ppm2 1.629 CV 1 OR { 2283} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 135 and name HG2 )) ASSI { 2284} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 136 and name HD1 )) 2.100 2.100 3.900 peak 2284 spectrum 1 weight 0.11000E+01 volume 0.16094E-02 ppm1 2.176 ppm2 3.876 CV 1 ASSI { 2286} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 159 and name HA )) 2.800 1.000 1.000 peak 2286 spectrum 1 weight 0.11000E+01 volume 0.18874E-02 ppm1 2.182 ppm2 4.572 CV 1 ASSI { 2287} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 160 and name HA )) 4.100 2.100 1.900 peak 2287 spectrum 1 weight 0.11000E+01 volume 0.55806E-03 ppm1 2.193 ppm2 4.922 CV 1 ASSI { 2288} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 160 and name HB )) 3.600 1.600 1.600 peak 2288 spectrum 1 weight 0.11000E+01 volume 0.36726E-02 ppm1 2.180 ppm2 2.610 CV 1 ASSI { 2289} ( segid " " and resid 212 and name HE% ) ( segid " " and resid 160 and name HG2%) 2.500 0.800 0.800 peak 2289 spectrum 1 weight 0.11000E+01 volume 0.44662E-02 ppm1 2.181 ppm2 0.765 CV 1 ASSI { 2290} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 182 and name HG1 )) 2.100 2.100 3.900 peak 2290 spectrum 1 weight 0.11000E+01 volume 0.14210E-02 ppm1 2.183 ppm2 1.482 CV 1 ASSI { 2293} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 211 and name HG1 )) 3.100 3.100 2.900 peak 2293 spectrum 1 weight 0.11000E+01 volume 0.10782E-01 ppm1 2.182 ppm2 2.465 CV 1 ASSI { 2294} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 212 and name HA )) 3.400 1.400 1.400 peak 2294 spectrum 1 weight 0.11000E+01 volume 0.36011E-02 ppm1 2.181 ppm2 4.112 CV 1 ASSI { 2295} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 212 and name HB2 )) 1.900 1.900 4.100 peak 2295 spectrum 1 weight 0.11000E+01 volume 0.12556E-01 ppm1 2.182 ppm2 2.334 CV 1 ASSI { 2296} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 212 and name HG1 )) 3.400 1.400 1.400 peak 2296 spectrum 1 weight 0.11000E+01 volume 0.20127E-02 ppm1 2.182 ppm2 2.723 CV 1 ASSI { 2299} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 216 and name HA )) 3.100 3.100 2.900 peak 2299 spectrum 1 weight 0.11000E+01 volume 0.39422E-02 ppm1 2.182 ppm2 3.673 CV 1 ASSI { 2300} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 216 and name HB1 )) 2.600 2.600 3.400 peak 2300 spectrum 1 weight 0.11000E+01 volume 0.10106E-01 ppm1 2.177 ppm2 2.335 CV 1 ASSI { 2301} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 216 and name HG1 )) 3.700 1.700 1.700 peak 2301 spectrum 1 weight 0.11000E+01 volume 0.19687E-02 ppm1 2.181 ppm2 1.662 CV 1 ASSI { 2302} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 216 and name HN )) 3.100 1.200 1.200 peak 2302 spectrum 1 weight 0.11000E+01 volume 0.25852E-02 ppm1 2.183 ppm2 8.721 CV 1 ASSI { 2303} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 136 and name HG2 )) 4.300 2.300 1.700 peak 2303 spectrum 1 weight 0.11000E+01 volume 0.88222E-03 ppm1 2.728 ppm2 2.050 CV 1 ASSI { 2305} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 212 and name HB1 )) 3.000 1.100 1.100 peak 2305 spectrum 1 weight 0.11000E+01 volume 0.14687E-02 ppm1 2.735 ppm2 2.178 CV 1 ASSI { 2306} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 212 and name HG2 )) 2.300 0.700 0.700 peak 2306 spectrum 1 weight 0.11000E+01 volume 0.18072E-02 ppm1 2.737 ppm2 2.493 CV 1 ASSI { 2308} (( segid " " and resid 212 and name HG2 )) (( segid " " and resid 212 and name HB2 )) 3.400 1.500 1.500 peak 2308 spectrum 1 weight 0.11000E+01 volume 0.59725E-03 ppm1 2.516 ppm2 2.305 CV 1 ASSI { 2311} (( segid " " and resid 213 and name HA )) (( segid " " and resid 209 and name HA )) 4.300 2.300 1.700 peak 2311 spectrum 1 weight 0.11000E+01 volume 0.66347E-03 ppm1 4.365 ppm2 3.679 CV 1 ASSI { 2312} (( segid " " and resid 213 and name HA )) ( segid " " and resid 209 and name HG1%) 4.200 2.200 1.800 peak 2312 spectrum 1 weight 0.11000E+01 volume 0.12089E-02 ppm1 4.373 ppm2 0.964 CV 1 ASSI { 2313} (( segid " " and resid 213 and name HA )) (( segid " " and resid 213 and name HB1 )) 3.400 1.500 1.500 peak 2313 spectrum 1 weight 0.11000E+01 volume 0.11702E-02 ppm1 4.373 ppm2 3.543 CV 1 ASSI { 2314} (( segid " " and resid 213 and name HA )) (( segid " " and resid 216 and name HA )) 4.800 2.900 1.200 peak 2314 spectrum 1 weight 0.11000E+01 volume 0.36820E-03 ppm1 4.387 ppm2 3.695 CV 1 ASSI { 2315} (( segid " " and resid 213 and name HA )) (( segid " " and resid 216 and name HB1 )) 3.500 1.600 1.600 peak 2315 spectrum 1 weight 0.11000E+01 volume 0.63106E-03 ppm1 4.378 ppm2 2.313 CV 1 ASSI { 2316} (( segid " " and resid 213 and name HB1 )) ( segid " " and resid 179 and name HG1%) 3.700 1.700 1.700 peak 2316 spectrum 1 weight 0.11000E+01 volume 0.99481E-03 ppm1 3.557 ppm2 1.056 CV 1 ASSI { 2317} (( segid " " and resid 213 and name HB1 )) ( segid " " and resid 209 and name HG1%) 4.600 2.600 1.400 peak 2317 spectrum 1 weight 0.11000E+01 volume 0.71411E-03 ppm1 3.548 ppm2 0.932 CV 1 ASSI { 2321} (( segid " " and resid 213 and name HB2 )) (( segid " " and resid 213 and name HA )) 4.000 4.000 2.000 peak 2321 spectrum 1 weight 0.11000E+01 volume 0.24262E-03 ppm1 2.844 ppm2 4.407 CV 1 ASSI { 2322} (( segid " " and resid 213 and name HB2 )) (( segid " " and resid 213 and name HB1 )) 2.600 0.800 0.800 peak 2322 spectrum 1 weight 0.11000E+01 volume 0.10486E-02 ppm1 2.857 ppm2 3.552 CV 1 ASSI { 2324} (( segid " " and resid 214 and name HA )) (( segid " " and resid 176 and name HN )) 2.200 2.200 3.800 peak 2324 spectrum 1 weight 0.11000E+01 volume 0.10464E-02 ppm1 3.467 ppm2 8.380 CV 1 ASSI { 2325} (( segid " " and resid 214 and name HA )) (( segid " " and resid 217 and name HA )) 4.600 4.600 1.400 peak 2325 spectrum 1 weight 0.11000E+01 volume 0.77713E-03 ppm1 3.475 ppm2 2.949 CV 1 ASSI { 2326} (( segid " " and resid 214 and name HB )) (( segid " " and resid 211 and name HA )) 3.600 3.600 2.400 peak 2326 spectrum 1 weight 0.11000E+01 volume 0.64530E-03 ppm1 1.960 ppm2 3.950 CV 1 ASSI { 2328} ( segid " " and resid 214 and name HG1%) (( segid " " and resid 210 and name HG2 )) 1.500 1.500 4.500 peak 2328 spectrum 1 weight 0.11000E+01 volume 0.10880E-01 ppm1 0.917 ppm2 2.333 CV 1 ASSI { 2329} ( segid " " and resid 214 and name HG1%) (( segid " " and resid 211 and name HB2 )) 2.700 2.700 3.300 peak 2329 spectrum 1 weight 0.11000E+01 volume 0.66464E-02 ppm1 0.917 ppm2 2.196 CV 1 OR { 2329} ( segid " " and resid 214 and name HG1%) (( segid " " and resid 211 and name HB1 )) ASSI { 2330} ( segid " " and resid 214 and name HG1%) (( segid " " and resid 214 and name HA )) 2.800 1.000 1.000 peak 2330 spectrum 1 weight 0.11000E+01 volume 0.49237E-02 ppm1 0.914 ppm2 3.431 CV 1 ASSI { 2331} ( segid " " and resid 214 and name HG1%) (( segid " " and resid 215 and name HN )) 2.800 2.800 3.200 peak 2331 spectrum 1 weight 0.11000E+01 volume 0.27016E-02 ppm1 0.900 ppm2 8.116 CV 1 ASSI { 2332} ( segid " " and resid 214 and name HG1%) (( segid " " and resid 216 and name HA )) 4.000 4.000 2.000 peak 2332 spectrum 1 weight 0.11000E+01 volume 0.12960E-02 ppm1 0.913 ppm2 3.726 CV 1 ASSI { 2333} ( segid " " and resid 214 and name HG1%) (( segid " " and resid 217 and name HA )) 3.900 3.900 2.100 peak 2333 spectrum 1 weight 0.11000E+01 volume 0.21174E-02 ppm1 0.910 ppm2 2.944 CV 1 ASSI { 2334} ( segid " " and resid 214 and name HG1%) (( segid " " and resid 218 and name HG1 )) 3.800 1.800 1.800 peak 2334 spectrum 1 weight 0.11000E+01 volume 0.23329E-02 ppm1 0.915 ppm2 2.704 CV 1 ASSI { 2337} (( segid " " and resid 215 and name HA )) (( segid " " and resid 218 and name HB1 )) 4.100 2.100 1.900 peak 2337 spectrum 1 weight 0.11000E+01 volume 0.12130E-02 ppm1 3.886 ppm2 2.342 CV 1 ASSI { 2338} (( segid " " and resid 215 and name HA )) (( segid " " and resid 218 and name HB2 )) 4.900 3.000 1.100 peak 2338 spectrum 1 weight 0.11000E+01 volume 0.92582E-03 ppm1 3.880 ppm2 2.078 CV 1 ASSI { 2340} (( segid " " and resid 215 and name HB )) ( segid " " and resid 212 and name HE% ) 3.700 1.700 1.700 peak 2340 spectrum 1 weight 0.11000E+01 volume 0.14675E-02 ppm1 4.308 ppm2 2.173 CV 1 ASSI { 2343} (( segid " " and resid 215 and name HG1 )) ( segid " " and resid 175 and name HG1%) 3.400 3.400 2.600 peak 2343 spectrum 1 weight 0.11000E+01 volume 0.46063E-02 ppm1 1.237 ppm2 1.059 CV 1 OR { 2343} ( segid " " and resid 215 and name HG2%) ( segid " " and resid 175 and name HG1%) ASSI { 2345} (( segid " " and resid 215 and name HG1 )) (( segid " " and resid 212 and name HA )) 2.800 1.000 1.000 peak 2345 spectrum 1 weight 0.11000E+01 volume 0.17626E-02 ppm1 1.236 ppm2 4.141 CV 1 ASSI { 2346} ( segid " " and resid 215 and name HG2%) ( segid " " and resid 212 and name HE% ) 3.400 1.500 1.500 peak 2346 spectrum 1 weight 0.11000E+01 volume 0.55098E-02 ppm1 1.237 ppm2 2.174 CV 1 OR { 2346} (( segid " " and resid 215 and name HG1 )) ( segid " " and resid 212 and name HE% ) ASSI { 2347} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 215 and name HA )) 2.700 0.900 0.900 peak 2347 spectrum 1 weight 0.11000E+01 volume 0.45301E-02 ppm1 1.237 ppm2 3.882 CV 1 ASSI { 2348} (( segid " " and resid 215 and name HG1 )) (( segid " " and resid 215 and name HB )) 2.300 0.700 0.700 peak 2348 spectrum 1 weight 0.11000E+01 volume 0.65923E-02 ppm1 1.236 ppm2 4.298 CV 1 OR { 2348} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 215 and name HB )) ASSI { 2349} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 216 and name HA )) 3.600 1.600 1.600 peak 2349 spectrum 1 weight 0.11000E+01 volume 0.10004E-02 ppm1 1.234 ppm2 3.688 CV 1 ASSI { 2351} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 218 and name HB2 )) 4.000 2.000 2.000 peak 2351 spectrum 1 weight 0.11000E+01 volume 0.20069E-02 ppm1 1.229 ppm2 2.091 CV 1 ASSI { 2352} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 218 and name HG2 )) 3.400 1.400 1.400 peak 2352 spectrum 1 weight 0.11000E+01 volume 0.21558E-02 ppm1 1.236 ppm2 2.504 CV 1 ASSI { 2353} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 219 and name HG1 )) 3.800 1.800 1.800 peak 2353 spectrum 1 weight 0.11000E+01 volume 0.17581E-02 ppm1 1.234 ppm2 2.352 CV 1 ASSI { 2355} (( segid " " and resid 216 and name HA )) (( segid " " and resid 216 and name HG1 )) 3.200 1.300 1.300 peak 2355 spectrum 1 weight 0.11000E+01 volume 0.89600E-03 ppm1 3.679 ppm2 1.617 CV 1 ASSI { 2357} (( segid " " and resid 216 and name HA )) (( segid " " and resid 217 and name HB2 )) 3.400 3.400 2.600 peak 2357 spectrum 1 weight 0.11000E+01 volume 0.32456E-02 ppm1 3.684 ppm2 2.113 CV 1 ASSI { 2358} (( segid " " and resid 216 and name HA )) (( segid " " and resid 219 and name HB1 )) 2.300 0.700 0.700 peak 2358 spectrum 1 weight 0.11000E+01 volume 0.32456E-02 ppm1 3.685 ppm2 2.110 CV 1 ASSI { 2359} (( segid " " and resid 216 and name HA )) (( segid " " and resid 219 and name HG1 )) 4.500 2.500 1.500 peak 2359 spectrum 1 weight 0.11000E+01 volume 0.20659E-02 ppm1 3.681 ppm2 2.326 CV 1 ASSI { 2360} (( segid " " and resid 216 and name HA )) (( segid " " and resid 219 and name HG2 )) 4.300 2.300 1.700 peak 2360 spectrum 1 weight 0.11000E+01 volume 0.10467E-02 ppm1 3.679 ppm2 2.452 CV 1 ASSI { 2362} (( segid " " and resid 217 and name HA )) ( segid " " and resid 165 and name HG1%) 3.500 1.600 1.600 peak 2362 spectrum 1 weight 0.11000E+01 volume 0.80718E-03 ppm1 2.934 ppm2 0.857 CV 1 ASSI { 2363} (( segid " " and resid 217 and name HA )) (( segid " " and resid 166 and name HB2 )) 3.700 3.700 2.300 peak 2363 spectrum 1 weight 0.11000E+01 volume 0.14504E-02 ppm1 2.922 ppm2 2.691 CV 1 ASSI { 2364} (( segid " " and resid 217 and name HA )) (( segid " " and resid 217 and name HB2 )) 3.300 1.400 1.400 peak 2364 spectrum 1 weight 0.11000E+01 volume 0.76859E-03 ppm1 2.940 ppm2 2.153 CV 1 ASSI { 2365} (( segid " " and resid 217 and name HA )) ( segid " " and resid 217 and name HD% ) 3.600 1.600 1.600 peak 2365 spectrum 1 weight 0.11000E+01 volume 0.95452E-03 ppm1 2.927 ppm2 6.169 CV 1 ASSI { 2366} (( segid " " and resid 217 and name HB1 )) (( segid " " and resid 217 and name HB2 )) 1.900 0.500 0.500 peak 2366 spectrum 1 weight 0.11000E+01 volume 0.77449E-02 ppm1 2.570 ppm2 2.122 CV 1 ASSI { 2369} (( segid " " and resid 218 and name HA )) (( segid " " and resid 218 and name HG1 )) 3.700 1.700 1.700 peak 2369 spectrum 1 weight 0.11000E+01 volume 0.16789E-02 ppm1 3.758 ppm2 2.735 CV 1 ASSI { 2370} (( segid " " and resid 218 and name HA )) (( segid " " and resid 218 and name HG2 )) 3.600 1.600 1.600 peak 2370 spectrum 1 weight 0.11000E+01 volume 0.22325E-02 ppm1 3.750 ppm2 2.480 CV 1 ASSI { 2371} (( segid " " and resid 218 and name HA )) (( segid " " and resid 219 and name HB1 )) 3.600 3.600 2.400 peak 2371 spectrum 1 weight 0.11000E+01 volume 0.29274E-02 ppm1 3.751 ppm2 2.080 CV 1 ASSI { 2372} (( segid " " and resid 218 and name HA )) (( segid " " and resid 221 and name HB2 )) 3.500 1.500 1.500 peak 2372 spectrum 1 weight 0.11000E+01 volume 0.69418E-03 ppm1 3.754 ppm2 3.368 CV 1 ASSI { 2374} (( segid " " and resid 218 and name HB1 )) (( segid " " and resid 218 and name HA )) 3.100 1.200 1.200 peak 2374 spectrum 1 weight 0.11000E+01 volume 0.14769E-02 ppm1 2.336 ppm2 3.746 CV 1 ASSI { 2375} (( segid " " and resid 218 and name HB1 )) (( segid " " and resid 218 and name HG1 )) 3.700 1.700 1.700 peak 2375 spectrum 1 weight 0.11000E+01 volume 0.10823E-02 ppm1 2.336 ppm2 2.721 CV 1 ASSI { 2376} (( segid " " and resid 218 and name HB1 )) (( segid " " and resid 218 and name HG2 )) 2.600 0.800 0.800 peak 2376 spectrum 1 weight 0.11000E+01 volume 0.28984E-02 ppm1 2.324 ppm2 2.467 CV 1 ASSI { 2377} (( segid " " and resid 218 and name HB2 )) (( segid " " and resid 218 and name HA )) 3.100 1.200 1.200 peak 2377 spectrum 1 weight 0.11000E+01 volume 0.16543E-02 ppm1 2.087 ppm2 3.732 CV 1 ASSI { 2378} (( segid " " and resid 218 and name HB2 )) (( segid " " and resid 218 and name HG1 )) 3.000 1.100 1.100 peak 2378 spectrum 1 weight 0.11000E+01 volume 0.15306E-02 ppm1 2.090 ppm2 2.728 CV 1 ASSI { 2379} (( segid " " and resid 218 and name HG1 )) (( segid " " and resid 218 and name HG2 )) 1.900 0.400 0.400 peak 2379 spectrum 1 weight 0.11000E+01 volume 0.97447E-02 ppm1 2.719 ppm2 2.489 CV 1 ASSI { 2380} (( segid " " and resid 218 and name HG1 )) (( segid " " and resid 219 and name HB1 )) 3.600 1.600 1.600 peak 2380 spectrum 1 weight 0.11000E+01 volume 0.20375E-02 ppm1 2.718 ppm2 2.086 CV 1 ASSI { 2381} (( segid " " and resid 218 and name HG1 )) (( segid " " and resid 221 and name HB2 )) 5.100 3.200 0.900 peak 2381 spectrum 1 weight 0.11000E+01 volume 0.36423E-03 ppm1 2.715 ppm2 3.382 CV 1 ASSI { 2384} (( segid " " and resid 218 and name HG2 )) (( segid " " and resid 219 and name HA )) 3.700 1.700 1.700 peak 2384 spectrum 1 weight 0.11000E+01 volume 0.29226E-02 ppm1 2.477 ppm2 4.007 CV 1 ASSI { 2385} (( segid " " and resid 219 and name HA )) (( segid " " and resid 216 and name HA )) 5.500 3.800 0.500 peak 2385 spectrum 1 weight 0.11000E+01 volume 0.52506E-03 ppm1 4.003 ppm2 3.684 CV 1 ASSI { 2386} (( segid " " and resid 219 and name HA )) (( segid " " and resid 218 and name HA )) 3.900 1.900 1.900 peak 2386 spectrum 1 weight 0.11000E+01 volume 0.73116E-03 ppm1 4.001 ppm2 3.732 CV 1 ASSI { 2388} (( segid " " and resid 219 and name HA )) (( segid " " and resid 219 and name HB1 )) 2.600 0.800 0.800 peak 2388 spectrum 1 weight 0.11000E+01 volume 0.78582E-02 ppm1 4.008 ppm2 2.118 CV 1 ASSI { 2389} (( segid " " and resid 219 and name HA )) (( segid " " and resid 219 and name HG1 )) 2.900 1.000 1.000 peak 2389 spectrum 1 weight 0.11000E+01 volume 0.20308E-02 ppm1 4.008 ppm2 2.317 CV 1 ASSI { 2395} (( segid " " and resid 219 and name HG2 )) (( segid " " and resid 219 and name HA )) 3.400 1.400 1.400 peak 2395 spectrum 1 weight 0.11000E+01 volume 0.29226E-02 ppm1 2.477 ppm2 4.007 CV 1 ASSI { 2396} (( segid " " and resid 220 and name HA )) ( segid " " and resid 165 and name HG1%) 5.000 3.100 1.000 peak 2396 spectrum 1 weight 0.11000E+01 volume 0.40047E-03 ppm1 4.054 ppm2 0.872 CV 1 ASSI { 2397} (( segid " " and resid 220 and name HA )) (( segid " " and resid 219 and name HG1 )) 3.700 3.700 2.300 peak 2397 spectrum 1 weight 0.11000E+01 volume 0.14276E-02 ppm1 4.060 ppm2 2.327 CV 1 ASSI { 2398} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HB1 )) 2.500 0.800 0.800 peak 2398 spectrum 1 weight 0.11000E+01 volume 0.60908E-02 ppm1 4.091 ppm2 2.164 CV 1 ASSI { 2399} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HB2 )) 2.400 0.700 0.700 peak 2399 spectrum 1 weight 0.11000E+01 volume 0.70037E-02 ppm1 4.094 ppm2 1.886 CV 1 ASSI { 2400} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HG2 )) 2.800 1.000 1.000 peak 2400 spectrum 1 weight 0.11000E+01 volume 0.29184E-02 ppm1 4.090 ppm2 2.409 CV 1 ASSI { 2402} (( segid " " and resid 220 and name HB1 )) (( segid " " and resid 216 and name HA )) 4.600 2.600 1.400 peak 2402 spectrum 1 weight 0.11000E+01 volume 0.89822E-03 ppm1 2.190 ppm2 3.676 CV 1 ASSI { 2403} (( segid " " and resid 220 and name HB1 )) (( segid " " and resid 216 and name HG1 )) 3.700 1.700 1.700 peak 2403 spectrum 1 weight 0.11000E+01 volume 0.18576E-02 ppm1 2.175 ppm2 1.657 CV 1 ASSI { 2404} (( segid " " and resid 220 and name HB1 )) (( segid " " and resid 220 and name HB2 )) 1.900 0.400 0.400 peak 2404 spectrum 1 weight 0.11000E+01 volume 0.90576E-02 ppm1 2.158 ppm2 1.876 CV 1 ASSI { 2405} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 216 and name HA )) 3.900 1.900 1.900 peak 2405 spectrum 1 weight 0.11000E+01 volume 0.70520E-03 ppm1 1.892 ppm2 3.687 CV 1 ASSI { 2406} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 218 and name HA )) 4.300 2.300 1.700 peak 2406 spectrum 1 weight 0.11000E+01 volume 0.61600E-03 ppm1 1.905 ppm2 3.727 CV 1 ASSI { 2408} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 220 and name HG1 )) 2.500 0.800 0.800 peak 2408 spectrum 1 weight 0.11000E+01 volume 0.71325E-02 ppm1 1.891 ppm2 2.192 CV 1 ASSI { 2413} (( segid " " and resid 220 and name HG2 )) ( segid " " and resid 165 and name HG1%) 4.700 4.700 1.300 peak 2413 spectrum 1 weight 0.11000E+01 volume 0.55915E-03 ppm1 2.398 ppm2 0.813 CV 1 ASSI { 2414} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 174 and name HZ )) 2.700 2.700 3.300 peak 2414 spectrum 1 weight 0.11000E+01 volume 0.35382E-03 ppm1 2.432 ppm2 6.674 CV 1 ASSI { 2415} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 216 and name HA )) 4.200 2.200 1.800 peak 2415 spectrum 1 weight 0.11000E+01 volume 0.47016E-03 ppm1 2.413 ppm2 3.695 CV 1 ASSI { 2416} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 217 and name HA )) 5.700 4.100 0.300 peak 2416 spectrum 1 weight 0.11000E+01 volume 0.16112E-03 ppm1 2.398 ppm2 2.940 CV 1 ASSI { 2417} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 219 and name HB1 )) 2.400 2.400 3.600 peak 2417 spectrum 1 weight 0.11000E+01 volume 0.12903E-01 ppm1 2.391 ppm2 2.101 CV 1 ASSI { 2418} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 219 and name HG1 )) 2.100 2.100 3.900 peak 2418 spectrum 1 weight 0.11000E+01 volume 0.54835E-01 ppm1 2.389 ppm2 2.330 CV 1 ASSI { 2420} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 220 and name HB2 )) 2.400 0.700 0.700 peak 2420 spectrum 1 weight 0.11000E+01 volume 0.47987E-02 ppm1 2.421 ppm2 1.896 CV 1 ASSI { 2421} (( segid " " and resid 220 and name HG2 )) ( segid " " and resid 223 and name HB% ) 4.000 2.000 2.000 peak 2421 spectrum 1 weight 0.11000E+01 volume 0.11316E-02 ppm1 2.416 ppm2 1.535 CV 1 ASSI { 2422} (( segid " " and resid 221 and name HA )) ( segid " " and resid 165 and name HG1%) 3.500 1.600 1.600 peak 2422 spectrum 1 weight 0.11000E+01 volume 0.14119E-02 ppm1 3.959 ppm2 0.847 CV 1 ASSI { 2423} (( segid " " and resid 221 and name HA )) (( segid " " and resid 221 and name HB1 )) 2.900 1.000 1.000 peak 2423 spectrum 1 weight 0.11000E+01 volume 0.27828E-02 ppm1 3.957 ppm2 3.581 CV 1 ASSI { 2424} (( segid " " and resid 221 and name HA )) (( segid " " and resid 221 and name HB2 )) 2.700 0.900 0.900 peak 2424 spectrum 1 weight 0.11000E+01 volume 0.26094E-02 ppm1 3.959 ppm2 3.357 CV 1 ASSI { 2425} (( segid " " and resid 221 and name HA )) ( segid " " and resid 224 and name HB% ) 3.300 1.400 1.400 peak 2425 spectrum 1 weight 0.11000E+01 volume 0.23020E-02 ppm1 3.963 ppm2 1.453 CV 1 ASSI { 2427} (( segid " " and resid 221 and name HB1 )) (( segid " " and resid 221 and name HB2 )) 1.900 0.500 0.500 peak 2427 spectrum 1 weight 0.11000E+01 volume 0.96118E-02 ppm1 3.573 ppm2 3.360 CV 1 ASSI { 2430} (( segid " " and resid 222 and name HA )) (( segid " " and resid 221 and name HB1 )) 3.800 1.800 1.800 peak 2430 spectrum 1 weight 0.11000E+01 volume 0.61971E-03 ppm1 4.176 ppm2 3.592 CV 1 ASSI { 2431} (( segid " " and resid 222 and name HA )) (( segid " " and resid 222 and name HB1 )) 2.500 0.800 0.800 peak 2431 spectrum 1 weight 0.11000E+01 volume 0.84540E-02 ppm1 4.174 ppm2 2.142 CV 1 ASSI { 2432} (( segid " " and resid 222 and name HA )) (( segid " " and resid 222 and name HG2 )) 3.400 1.400 1.400 peak 2432 spectrum 1 weight 0.11000E+01 volume 0.28707E-02 ppm1 4.174 ppm2 2.444 CV 1 ASSI { 2433} (( segid " " and resid 222 and name HA )) (( segid " " and resid 225 and name HB1 )) 3.500 1.600 1.600 peak 2433 spectrum 1 weight 0.11000E+01 volume 0.48101E-02 ppm1 4.174 ppm2 3.184 CV 1 ASSI { 2434} (( segid " " and resid 222 and name HB1 )) (( segid " " and resid 219 and name HA )) 2.900 1.000 1.000 peak 2434 spectrum 1 weight 0.11000E+01 volume 0.33238E-02 ppm1 2.144 ppm2 3.986 CV 1 ASSI { 2438} (( segid " " and resid 222 and name HB1 )) (( segid " " and resid 225 and name HB2 )) 4.000 2.000 2.000 peak 2438 spectrum 1 weight 0.11000E+01 volume 0.21557E-02 ppm1 2.153 ppm2 3.152 CV 1 ASSI { 2439} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 222 and name HA )) 3.000 1.100 1.100 peak 2439 spectrum 1 weight 0.11000E+01 volume 0.36465E-02 ppm1 2.484 ppm2 4.176 CV 1 ASSI { 2440} (( segid " " and resid 222 and name HG1 )) ( segid " " and resid 223 and name HB% ) 4.100 2.100 1.900 peak 2440 spectrum 1 weight 0.11000E+01 volume 0.96445E-03 ppm1 2.483 ppm2 1.524 CV 1 ASSI { 2441} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 223 and name HN )) 3.800 1.800 1.800 peak 2441 spectrum 1 weight 0.11000E+01 volume 0.65668E-03 ppm1 2.495 ppm2 7.840 CV 1 ASSI { 2442} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 225 and name HA )) 4.200 4.200 1.800 peak 2442 spectrum 1 weight 0.11000E+01 volume 0.10070E-02 ppm1 2.484 ppm2 4.349 CV 1 ASSI { 2443} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 225 and name HB2 )) 3.400 1.400 1.400 peak 2443 spectrum 1 weight 0.11000E+01 volume 0.15806E-02 ppm1 2.493 ppm2 3.157 CV 1 ASSI { 2444} (( segid " " and resid 222 and name HG2 )) (( segid " " and resid 221 and name HB1 )) 4.600 2.600 1.400 peak 2444 spectrum 1 weight 0.11000E+01 volume 0.44841E-03 ppm1 2.413 ppm2 3.572 CV 1 ASSI { 2445} (( segid " " and resid 222 and name HG2 )) (( segid " " and resid 223 and name HA )) 3.400 1.400 1.400 peak 2445 spectrum 1 weight 0.11000E+01 volume 0.17730E-02 ppm1 2.436 ppm2 4.166 CV 1 ASSI { 2447} (( segid " " and resid 223 and name HA )) (( segid " " and resid 226 and name HB2 )) 2.800 1.000 1.000 peak 2447 spectrum 1 weight 0.11000E+01 volume 0.35457E-02 ppm1 4.195 ppm2 2.174 CV 1 OR { 2447} (( segid " " and resid 223 and name HA )) (( segid " " and resid 226 and name HB1 )) ASSI { 2448} (( segid " " and resid 223 and name HA )) (( segid " " and resid 226 and name HG2 )) 3.900 1.900 1.900 peak 2448 spectrum 1 weight 0.11000E+01 volume 0.10761E-02 ppm1 4.193 ppm2 2.488 CV 1 ASSI { 2449} (( segid " " and resid 223 and name HA )) (( segid " " and resid 227 and name HG2 )) 4.100 2.100 1.900 peak 2449 spectrum 1 weight 0.11000E+01 volume 0.42124E-03 ppm1 4.214 ppm2 1.810 CV 1 ASSI { 2450} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 220 and name HA )) 2.300 0.700 0.700 peak 2450 spectrum 1 weight 0.11000E+01 volume 0.88541E-02 ppm1 1.496 ppm2 4.092 CV 1 ASSI { 2451} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 222 and name HB1 )) 3.700 1.800 1.800 peak 2451 spectrum 1 weight 0.11000E+01 volume 0.33022E-02 ppm1 1.497 ppm2 2.161 CV 1 ASSI { 2452} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 223 and name HA )) 2.100 0.600 0.600 peak 2452 spectrum 1 weight 0.11000E+01 volume 0.16186E-01 ppm1 1.498 ppm2 4.193 CV 1 ASSI { 2453} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 226 and name HG2 )) 4.400 2.500 1.600 peak 2453 spectrum 1 weight 0.11000E+01 volume 0.12108E-02 ppm1 1.497 ppm2 2.472 CV 1 ASSI { 2456} (( segid " " and resid 224 and name HA )) (( segid " " and resid 225 and name HB1 )) 5.100 3.200 0.900 peak 2456 spectrum 1 weight 0.11000E+01 volume 0.45750E-03 ppm1 4.064 ppm2 3.218 CV 1 ASSI { 2457} (( segid " " and resid 224 and name HA )) ( segid " " and resid 225 and name HD% ) 4.700 4.700 1.300 peak 2457 spectrum 1 weight 0.11000E+01 volume 0.42208E-03 ppm1 4.059 ppm2 7.139 CV 1 ASSI { 2458} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HB1 )) 4.200 2.200 1.800 peak 2458 spectrum 1 weight 0.11000E+01 volume 0.19942E-02 ppm1 4.065 ppm2 1.942 CV 1 ASSI { 2459} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HG1 )) 3.100 1.200 1.200 peak 2459 spectrum 1 weight 0.11000E+01 volume 0.11701E-02 ppm1 4.065 ppm2 1.615 CV 1 ASSI { 2460} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HG2 )) 2.800 1.000 1.000 peak 2460 spectrum 1 weight 0.11000E+01 volume 0.24237E-02 ppm1 4.064 ppm2 1.851 CV 1 ASSI { 2461} ( segid " " and resid 224 and name HB% ) ( segid " " and resid 165 and name HG1%) 1.700 1.700 4.300 peak 2461 spectrum 1 weight 0.11000E+01 volume 0.53743E-02 ppm1 1.451 ppm2 0.860 CV 1 ASSI { 2463} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 221 and name HB2 )) 2.400 2.400 3.600 peak 2463 spectrum 1 weight 0.11000E+01 volume 0.69540E-03 ppm1 1.458 ppm2 3.359 CV 1 ASSI { 2464} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 222 and name HB1 )) 4.100 2.100 1.900 peak 2464 spectrum 1 weight 0.11000E+01 volume 0.16606E-02 ppm1 1.453 ppm2 2.141 CV 1 ASSI { 2465} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 224 and name HA )) 2.100 0.600 0.600 peak 2465 spectrum 1 weight 0.11000E+01 volume 0.15889E-01 ppm1 1.457 ppm2 4.051 CV 1 ASSI { 2466} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 225 and name HA )) 2.900 1.100 1.100 peak 2466 spectrum 1 weight 0.11000E+01 volume 0.51434E-02 ppm1 1.448 ppm2 4.334 CV 1 ASSI { 2467} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 227 and name HD2 )) 3.900 1.900 1.900 peak 2467 spectrum 1 weight 0.11000E+01 volume 0.17667E-02 ppm1 1.441 ppm2 3.126 CV 1 ASSI { 2468} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 227 and name HG2 )) 3.800 1.900 1.900 peak 2468 spectrum 1 weight 0.11000E+01 volume 0.26210E-02 ppm1 1.446 ppm2 1.824 CV 1 ASSI { 2470} (( segid " " and resid 225 and name HA )) (( segid " " and resid 225 and name HB2 )) 2.500 0.800 0.800 peak 2470 spectrum 1 weight 0.11000E+01 volume 0.68696E-02 ppm1 4.329 ppm2 3.181 CV 1 ASSI { 2471} (( segid " " and resid 225 and name HA )) ( segid " " and resid 225 and name HD% ) 3.200 1.300 1.300 peak 2471 spectrum 1 weight 0.11000E+01 volume 0.19927E-02 ppm1 4.327 ppm2 7.138 CV 1 ASSI { 2472} (( segid " " and resid 225 and name HA )) ( segid " " and resid 228 and name HB% ) 2.800 1.000 1.000 peak 2472 spectrum 1 weight 0.11000E+01 volume 0.41112E-02 ppm1 4.328 ppm2 1.446 CV 1 ASSI { 2474} (( segid " " and resid 225 and name HB1 )) (( segid " " and resid 222 and name HB1 )) 5.500 3.800 0.500 peak 2474 spectrum 1 weight 0.11000E+01 volume 0.57766E-03 ppm1 3.190 ppm2 2.141 CV 1 ASSI { 2475} (( segid " " and resid 225 and name HB1 )) ( segid " " and resid 225 and name HD% ) 3.000 1.200 1.200 peak 2475 spectrum 1 weight 0.11000E+01 volume 0.17194E-02 ppm1 3.204 ppm2 7.131 CV 1 ASSI { 2476} (( segid " " and resid 225 and name HB2 )) (( segid " " and resid 222 and name HE22)) 5.100 3.200 0.900 peak 2476 spectrum 1 weight 0.11000E+01 volume 0.46143E-03 ppm1 3.177 ppm2 6.812 CV 1 ASSI { 2479} (( segid " " and resid 225 and name HB2 )) ( segid " " and resid 228 and name HB% ) 4.500 2.500 1.500 peak 2479 spectrum 1 weight 0.11000E+01 volume 0.59321E-03 ppm1 3.178 ppm2 1.448 CV 1 ASSI { 2482} (( segid " " and resid 226 and name HA )) ( segid " " and resid 223 and name HB% ) 3.900 3.900 2.100 peak 2482 spectrum 1 weight 0.11000E+01 volume 0.27903E-02 ppm1 3.921 ppm2 1.483 CV 1 ASSI { 2483} (( segid " " and resid 226 and name HA )) (( segid " " and resid 225 and name HB2 )) 4.600 2.600 1.400 peak 2483 spectrum 1 weight 0.11000E+01 volume 0.47915E-03 ppm1 3.939 ppm2 3.172 CV 1 ASSI { 2484} (( segid " " and resid 226 and name HA )) (( segid " " and resid 226 and name HB1 )) 2.500 0.800 0.800 peak 2484 spectrum 1 weight 0.11000E+01 volume 0.67165E-02 ppm1 3.924 ppm2 2.173 CV 1 OR { 2484} (( segid " " and resid 226 and name HA )) (( segid " " and resid 226 and name HB2 )) ASSI { 2486} (( segid " " and resid 226 and name HA )) (( segid " " and resid 227 and name HG1 )) 4.100 2.100 1.900 peak 2486 spectrum 1 weight 0.11000E+01 volume 0.21482E-02 ppm1 3.929 ppm2 1.627 CV 1 ASSI { 2487} (( segid " " and resid 226 and name HB2 )) (( segid " " and resid 222 and name HA )) 3.200 3.200 2.800 peak 2487 spectrum 1 weight 0.11000E+01 volume 0.61407E-02 ppm1 2.175 ppm2 4.164 CV 1 OR { 2487} (( segid " " and resid 226 and name HB1 )) (( segid " " and resid 222 and name HA )) ASSI { 2490} (( segid " " and resid 226 and name HG2 )) (( segid " " and resid 225 and name HB2 )) 3.500 1.500 1.500 peak 2490 spectrum 1 weight 0.11000E+01 volume 0.15806E-02 ppm1 2.494 ppm2 3.159 CV 1 ASSI { 2491} (( segid " " and resid 226 and name HG2 )) (( segid " " and resid 226 and name HA )) 2.700 0.900 0.900 peak 2491 spectrum 1 weight 0.11000E+01 volume 0.42880E-02 ppm1 2.488 ppm2 3.949 CV 1 ASSI { 2492} (( segid " " and resid 226 and name HG2 )) (( segid " " and resid 226 and name HB1 )) 2.100 0.500 0.500 peak 2492 spectrum 1 weight 0.11000E+01 volume 0.24788E-01 ppm1 2.497 ppm2 2.170 CV 1 OR { 2492} (( segid " " and resid 226 and name HG2 )) (( segid " " and resid 226 and name HB2 )) ASSI { 2493} (( segid " " and resid 227 and name HA )) (( segid " " and resid 227 and name HB2 )) 2.500 0.800 0.800 peak 2493 spectrum 1 weight 0.11000E+01 volume 0.67322E-02 ppm1 4.116 ppm2 1.845 CV 1 ASSI { 2495} (( segid " " and resid 227 and name HA )) (( segid " " and resid 227 and name HG1 )) 3.300 1.400 1.400 peak 2495 spectrum 1 weight 0.11000E+01 volume 0.31112E-02 ppm1 4.116 ppm2 1.607 CV 1 ASSI { 2496} (( segid " " and resid 227 and name HD1 )) (( segid " " and resid 227 and name HA )) 4.700 2.700 1.300 peak 2496 spectrum 1 weight 0.11000E+01 volume 0.10586E-02 ppm1 3.300 ppm2 4.111 CV 1 ASSI { 2497} (( segid " " and resid 227 and name HD1 )) (( segid " " and resid 227 and name HG1 )) 2.500 0.800 0.800 peak 2497 spectrum 1 weight 0.11000E+01 volume 0.35443E-02 ppm1 3.282 ppm2 1.628 CV 1 ASSI { 2498} (( segid " " and resid 227 and name HD1 )) (( segid " " and resid 227 and name HG2 )) 2.500 0.800 0.800 peak 2498 spectrum 1 weight 0.11000E+01 volume 0.46469E-02 ppm1 3.297 ppm2 1.840 CV 1 ASSI { 2499} (( segid " " and resid 227 and name HD2 )) (( segid " " and resid 228 and name HA )) 4.500 4.500 1.500 peak 2499 spectrum 1 weight 0.11000E+01 volume 0.97326E-03 ppm1 3.138 ppm2 4.171 CV 1 ASSI { 2502} (( segid " " and resid 227 and name HG1 )) (( segid " " and resid 227 and name HG2 )) 1.700 0.300 0.500 peak 2502 spectrum 1 weight 0.11000E+01 volume 0.11578E-01 ppm1 1.600 ppm2 1.835 CV 1 ASSI { 2506} (( segid " " and resid 228 and name HA )) ( segid " " and resid 224 and name HB% ) 3.200 3.200 2.800 peak 2506 spectrum 1 weight 0.11000E+01 volume 0.93639E-02 ppm1 4.166 ppm2 1.438 CV 1 ASSI { 2507} (( segid " " and resid 228 and name HA )) (( segid " " and resid 225 and name HA )) 4.300 2.300 1.700 peak 2507 spectrum 1 weight 0.11000E+01 volume 0.71241E-03 ppm1 4.487 ppm2 4.329 CV 1 ASSI { 2509} ( segid " " and resid 228 and name HB% ) (( segid " " and resid 224 and name HA )) 2.200 0.600 0.600 peak 2509 spectrum 1 weight 0.11000E+01 volume 0.17822E-01 ppm1 1.443 ppm2 4.080 CV 1 ASSI { 2512} ( segid " " and resid 228 and name HB% ) ( segid " " and resid 225 and name HD% ) 2.100 2.100 3.900 peak 2512 spectrum 1 weight 0.11000E+01 volume 0.14777E-02 ppm1 1.449 ppm2 7.123 CV 1 ASSI { 2513} ( segid " " and resid 228 and name HB% ) (( segid " " and resid 228 and name HA )) 2.200 2.200 3.800 peak 2513 spectrum 1 weight 0.11000E+01 volume 0.18383E-01 ppm1 1.443 ppm2 4.147 CV 1
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