NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
20158 | 2f65 | 4300 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 6.000 4.500 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.281 ppm2 4.972 CV 1 ASSI { 2} (( segid " " and resid 3 and name HN )) (( segid " " and resid 101 and name HA )) 6.000 4.500 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.286 ppm2 4.529 CV 1 ASSI { 5} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 6.000 4.500 0.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.274 ppm2 8.612 CV 1 ASSI { 6} (( segid " " and resid 3 and name HN )) (( segid " " and resid 102 and name HN )) 6.000 4.500 0.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.278 ppm2 8.378 CV 1 ASSI { 7} (( segid " " and resid 3 and name HN )) (( segid " " and resid 61 and name HA )) 6.000 4.500 0.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.277 ppm2 4.744 CV 1 ASSI { 9} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.276 ppm2 4.219 CV 1 ASSI { 12} (( segid " " and resid 3 and name HN )) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.277 ppm2 1.219 CV 1 ASSI { 13} (( segid " " and resid 3 and name HN )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.277 ppm2 1.082 CV 1 ASSI { 16} (( segid " " and resid 3 and name HN )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.277 ppm2 0.514 CV 1 ASSI { 17} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.275 ppm2 0.133 CV 1 ASSI { 22} (( segid " " and resid 6 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.974 ppm2 4.822 CV 1 ASSI { 23} (( segid " " and resid 6 and name HN )) (( segid " " and resid 98 and name HA )) 6.000 4.500 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.977 ppm2 4.189 CV 1 ASSI { 24} (( segid " " and resid 6 and name HN )) (( segid " " and resid 99 and name HG2 )) 6.000 4.500 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.973 ppm2 2.655 CV 1 ASSI { 26} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG12)) 6.000 4.500 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.975 ppm2 1.548 CV 1 ASSI { 28} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.973 ppm2 0.829 CV 1 ASSI { 29} (( segid " " and resid 6 and name HN )) (( segid " " and resid 99 and name HN )) 6.000 4.500 0.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.968 ppm2 9.562 CV 1 ASSI { 30} (( segid " " and resid 6 and name HN )) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.965 ppm2 5.443 CV 1 ASSI { 31} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 6.000 4.500 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.969 ppm2 4.953 CV 1 ASSI { 38} (( segid " " and resid 6 and name HN )) (( segid " " and resid 97 and name HB1 )) 6.000 4.500 0.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.966 ppm2 2.520 CV 1 ASSI { 47} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HN )) 6.000 4.500 0.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.550 ppm2 8.830 CV 1 ASSI { 48} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 6.000 4.500 0.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.553 ppm2 5.158 CV 1 ASSI { 50} (( segid " " and resid 96 and name HN )) (( segid " " and resid 77 and name HG2 )) 6.000 4.500 0.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.547 ppm2 2.822 CV 1 ASSI { 51} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB1 )) 6.000 4.500 0.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.550 ppm2 2.068 CV 1 ASSI { 52} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.555 ppm2 1.599 CV 1 ASSI { 53} (( segid " " and resid 96 and name HN )) ( segid " " and resid 21 and name HB% ) 6.000 4.500 0.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.554 ppm2 1.427 CV 1 ASSI { 54} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) 6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.552 ppm2 0.958 CV 1 ASSI { 56} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 6.000 4.500 0.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.540 ppm2 9.249 CV 1 ASSI { 59} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB1 )) 6.000 4.500 0.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.550 ppm2 2.535 CV 1 ASSI { 76} (( segid " " and resid 106 and name HN )) (( segid " " and resid 100 and name HA )) 6.000 4.500 0.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.426 ppm2 4.806 CV 1 ASSI { 77} (( segid " " and resid 106 and name HN )) (( segid " " and resid 114 and name HD2 )) 6.000 4.500 0.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.427 ppm2 3.670 CV 1 ASSI { 79} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HN )) 6.000 4.500 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.419 ppm2 8.188 CV 1 ASSI { 80} (( segid " " and resid 106 and name HN )) (( segid " " and resid 112 and name HA )) 6.000 4.500 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.421 ppm2 5.217 CV 1 ASSI { 81} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 6.000 4.500 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.416 ppm2 4.665 CV 1 ASSI { 85} (( segid " " and resid 106 and name HN )) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.418 ppm2 1.861 CV 1 ASSI { 86} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.416 ppm2 1.419 CV 1 ASSI { 87} (( segid " " and resid 106 and name HN )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.414 ppm2 1.142 CV 1 ASSI { 89} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.416 ppm2 0.897 CV 1 ASSI { 90} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.419 ppm2 0.614 CV 1 ASSI { 95} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 6.000 4.500 0.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.415 ppm2 9.201 CV 1 ASSI { 97} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.415 ppm2 2.189 CV 1 ASSI { 98} (( segid " " and resid 132 and name HN )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.328 ppm2 2.897 CV 1 ASSI { 102} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HN )) 6.000 4.500 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 7.605 CV 1 ASSI { 104} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HN )) 6.000 4.500 0.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.322 ppm2 6.912 CV 1 ASSI { 106} (( segid " " and resid 132 and name HN )) (( segid " " and resid 128 and name HN )) 6.000 4.500 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 6.506 CV 1 ASSI { 108} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 6.000 4.500 0.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 4.765 CV 1 ASSI { 110} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 6.000 4.500 0.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 4.477 CV 1 ASSI { 113} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HD2 )) 6.000 4.500 0.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.325 ppm2 3.419 CV 1 ASSI { 114} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HD1 )) 6.000 4.500 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 3.114 CV 1 ASSI { 116} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.327 ppm2 2.612 CV 1 ASSI { 118} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB )) 6.000 4.500 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.321 ppm2 2.136 CV 1 ASSI { 119} (( segid " " and resid 132 and name HN )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 2.006 CV 1 ASSI { 120} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG1 )) 6.000 4.500 0.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 1.789 CV 1 OR { 120} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 121} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.324 ppm2 1.606 CV 1 ASSI { 122} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.322 ppm2 1.479 CV 1 ASSI { 125} (( segid " " and resid 132 and name HN )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 0.993 CV 1 ASSI { 127} (( segid " " and resid 132 and name HN )) ( segid " " and resid 128 and name HD1%) 6.000 4.500 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 0.589 CV 1 OR { 127} (( segid " " and resid 132 and name HN )) ( segid " " and resid 128 and name HD2%) ASSI { 129} (( segid " " and resid 132 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 0.282 CV 1 ASSI { 133} (( segid " " and resid 34 and name HN )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.165 ppm2 0.644 CV 1 ASSI { 138} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.789 ppm2 9.312 CV 1 ASSI { 140} (( segid " " and resid 61 and name HN )) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.794 ppm2 8.981 CV 1 ASSI { 142} (( segid " " and resid 61 and name HN )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.788 ppm2 7.353 CV 1 ASSI { 143} (( segid " " and resid 61 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 5.917 CV 1 ASSI { 146} (( segid " " and resid 61 and name HN )) (( segid " " and resid 34 and name HA )) 6.000 4.500 0.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.792 ppm2 4.501 CV 1 ASSI { 147} (( segid " " and resid 61 and name HN )) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 3.873 CV 1 ASSI { 148} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HG1 )) 6.000 4.500 0.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.790 ppm2 2.205 CV 1 ASSI { 149} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HG2 )) 6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 1.905 CV 1 ASSI { 150} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB2 )) 6.000 4.500 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.787 ppm2 1.743 CV 1 ASSI { 151} (( segid " " and resid 61 and name HN )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 1.521 CV 1 ASSI { 153} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) 6.000 4.500 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 0.989 CV 1 ASSI { 155} (( segid " " and resid 61 and name HN )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.792 ppm2 0.666 CV 1 ASSI { 160} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.608 ppm2 5.631 CV 1 ASSI { 162} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.596 ppm2 9.323 CV 1 ASSI { 163} (( segid " " and resid 59 and name HN )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 7.358 CV 1 ASSI { 164} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 6.000 4.500 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 4.924 CV 1 ASSI { 165} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.603 ppm2 4.831 CV 1 ASSI { 167} (( segid " " and resid 59 and name HN )) (( segid " " and resid 35 and name HA )) 6.000 4.500 0.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 4.582 CV 1 ASSI { 168} (( segid " " and resid 59 and name HN )) (( segid " " and resid 35 and name HB )) 6.000 4.500 0.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.598 ppm2 4.090 CV 1 ASSI { 169} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HB1 )) 6.000 4.500 0.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.593 ppm2 1.805 CV 1 ASSI { 170} (( segid " " and resid 59 and name HN )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.601 ppm2 1.241 CV 1 ASSI { 171} (( segid " " and resid 59 and name HN )) (( segid " " and resid 5 and name HG11)) 6.000 4.500 0.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.597 ppm2 1.102 CV 1 ASSI { 172} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 0.970 CV 1 ASSI { 176} (( segid " " and resid 34 and name HN )) (( segid " " and resid 61 and name HN )) 6.000 4.500 0.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 8.784 CV 1 ASSI { 177} (( segid " " and resid 34 and name HN )) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.160 ppm2 8.598 CV 1 ASSI { 178} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.158 ppm2 7.357 CV 1 ASSI { 179} (( segid " " and resid 34 and name HN )) (( segid " " and resid 60 and name HA )) 6.000 4.500 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.158 ppm2 4.739 CV 1 ASSI { 180} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 6.000 4.500 0.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.159 ppm2 4.504 CV 1 ASSI { 181} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.157 ppm2 3.871 CV 1 ASSI { 182} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.158 ppm2 1.536 CV 1 ASSI { 189} (( segid " " and resid 2 and name HN )) (( segid " " and resid 4 and name HN )) 6.000 4.500 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.758 ppm2 8.618 CV 1 ASSI { 190} (( segid " " and resid 2 and name HN )) (( segid " " and resid 102 and name HN )) 6.000 4.500 0.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.754 ppm2 8.392 CV 1 ASSI { 192} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.754 ppm2 4.219 CV 1 ASSI { 193} (( segid " " and resid 2 and name HN )) (( segid " " and resid 102 and name HA2 )) 6.000 4.500 0.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.754 ppm2 3.871 CV 1 OR { 193} (( segid " " and resid 2 and name HN )) (( segid " " and resid 102 and name HA1 )) ASSI { 195} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA )) 6.000 4.500 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.753 ppm2 3.610 CV 1 ASSI { 197} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.754 ppm2 1.754 CV 1 ASSI { 198} (( segid " " and resid 2 and name HN )) ( segid " " and resid 2 and name HG2%) 6.000 4.500 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.753 ppm2 0.768 CV 1 ASSI { 199} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.753 ppm2 0.518 CV 1 ASSI { 200} (( segid " " and resid 2 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.754 ppm2 0.135 CV 1 ASSI { 202} (( segid " " and resid 59 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.606 ppm2 0.297 CV 1 ASSI { 205} (( segid " " and resid 99 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.594 ppm2 4.817 CV 1 ASSI { 207} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HG12)) 6.000 4.500 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.598 ppm2 1.875 CV 1 ASSI { 211} (( segid " " and resid 99 and name HN )) (( segid " " and resid 4 and name HN )) 6.000 4.500 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 8.625 CV 1 ASSI { 212} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HN )) 6.000 4.500 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.585 ppm2 7.491 CV 1 ASSI { 213} (( segid " " and resid 99 and name HN )) (( segid " " and resid 5 and name HA )) 6.000 4.500 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.586 ppm2 4.957 CV 1 ASSI { 214} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 6.000 4.500 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.590 ppm2 4.533 CV 1 ASSI { 215} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 6.000 4.500 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 4.184 CV 1 ASSI { 216} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HG2 )) 6.000 4.500 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.586 ppm2 2.667 CV 1 ASSI { 217} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB )) 6.000 4.500 0.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.588 ppm2 2.099 CV 1 ASSI { 218} (( segid " " and resid 99 and name HN )) (( segid " " and resid 118 and name HB1 )) 6.000 4.500 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.583 ppm2 1.938 CV 1 OR { 218} (( segid " " and resid 99 and name HN )) (( segid " " and resid 118 and name HB2 )) ASSI { 219} (( segid " " and resid 99 and name HN )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.586 ppm2 1.770 CV 1 ASSI { 220} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HG )) 6.000 4.500 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.585 ppm2 1.585 CV 1 ASSI { 221} (( segid " " and resid 99 and name HN )) (( segid " " and resid 5 and name HG12)) 6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.587 ppm2 1.550 CV 1 ASSI { 222} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HG11)) 6.000 4.500 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 0.955 CV 1 ASSI { 223} (( segid " " and resid 99 and name HN )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.585 ppm2 0.824 CV 1 ASSI { 226} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.348 ppm2 5.213 CV 1 ASSI { 230} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 6.000 4.500 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.343 ppm2 9.697 CV 1 ASSI { 231} (( segid " " and resid 113 and name HN )) (( segid " " and resid 108 and name HN )) 6.000 4.500 0.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.345 ppm2 8.993 CV 1 ASSI { 233} (( segid " " and resid 113 and name HN )) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.344 ppm2 5.500 CV 1 ASSI { 235} (( segid " " and resid 113 and name HN )) (( segid " " and resid 107 and name HB1 )) 6.000 4.500 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.342 ppm2 2.709 CV 1 ASSI { 236} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HB1 )) 6.000 4.500 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.342 ppm2 2.091 CV 1 ASSI { 238} (( segid " " and resid 60 and name HN )) (( segid " " and resid 33 and name HG12)) 6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.336 ppm2 1.584 CV 1 OR { 238} (( segid " " and resid 60 and name HN )) (( segid " " and resid 33 and name HG11)) ASSI { 240} (( segid " " and resid 113 and name HN )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.341 ppm2 0.867 CV 1 ASSI { 244} (( segid " " and resid 60 and name HN )) (( segid " " and resid 5 and name HN )) 6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.325 ppm2 9.550 CV 1 ASSI { 246} (( segid " " and resid 60 and name HN )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.328 ppm2 7.337 CV 1 ASSI { 248} (( segid " " and resid 60 and name HN )) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.324 ppm2 5.590 CV 1 ASSI { 249} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.332 ppm2 4.825 CV 1 ASSI { 253} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.328 ppm2 0.668 CV 1 ASSI { 263} (( segid " " and resid 158 and name HN )) (( segid " " and resid 40 and name HA )) 6.000 4.500 0.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.645 ppm2 5.138 CV 1 ASSI { 264} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA )) 6.000 4.500 0.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.646 ppm2 4.465 CV 1 ASSI { 265} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 6.000 4.500 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.646 ppm2 3.872 CV 1 ASSI { 266} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.645 ppm2 3.127 CV 1 ASSI { 267} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB1 )) 6.000 4.500 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.645 ppm2 2.810 CV 1 ASSI { 268} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HG1 )) 6.000 4.500 0.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.645 ppm2 1.567 CV 1 ASSI { 270} (( segid " " and resid 158 and name HN )) (( segid " " and resid 41 and name HN )) 6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.639 ppm2 8.934 CV 1 ASSI { 272} (( segid " " and resid 158 and name HN )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.637 ppm2 3.311 CV 1 ASSI { 273} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.642 ppm2 1.965 CV 1 ASSI { 274} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HB1 )) 6.000 4.500 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.642 ppm2 1.763 CV 1 ASSI { 278} (( segid " " and resid 136 and name HN )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.401 ppm2 8.269 CV 1 ASSI { 280} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HN )) 6.000 4.500 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.403 ppm2 7.258 CV 1 ASSI { 281} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 6.000 4.500 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.402 ppm2 4.506 CV 1 ASSI { 283} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB )) 6.000 4.500 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.403 ppm2 1.937 CV 1 ASSI { 286} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.404 ppm2 1.035 CV 1 OR { 286} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HG1%) ASSI { 294} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA )) 6.000 4.500 0.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.989 ppm2 5.519 CV 1 ASSI { 296} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 6.000 4.500 0.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.993 ppm2 4.188 CV 1 ASSI { 297} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB1 )) 6.000 4.500 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.992 ppm2 2.531 CV 1 ASSI { 298} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 6.000 4.500 0.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.993 ppm2 2.334 CV 1 ASSI { 299} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HG12)) 6.000 4.500 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.990 ppm2 1.873 CV 1 ASSI { 303} (( segid " " and resid 98 and name HN )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.996 ppm2 0.688 CV 1 ASSI { 305} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB )) 6.000 4.500 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.984 ppm2 2.085 CV 1 ASSI { 307} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HN )) 6.000 4.500 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.259 ppm2 8.341 CV 1 ASSI { 308} (( segid " " and resid 103 and name HN )) (( segid " " and resid 105 and name HN )) 6.000 4.500 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.260 ppm2 8.179 CV 1 ASSI { 309} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HD22)) 6.000 4.500 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.260 ppm2 7.567 CV 1 ASSI { 311} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 6.000 4.500 0.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.258 ppm2 5.169 CV 1 ASSI { 313} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HA )) 6.000 4.500 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.259 ppm2 4.559 CV 1 ASSI { 314} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA1 )) 6.000 4.500 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.260 ppm2 3.864 CV 1 OR { 314} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA2 )) ASSI { 315} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB1 )) 6.000 4.500 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.259 ppm2 2.991 CV 1 ASSI { 316} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 6.000 4.500 0.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.261 ppm2 2.650 CV 1 ASSI { 317} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HG1 )) 6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.255 ppm2 2.503 CV 1 ASSI { 318} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.260 ppm2 2.156 CV 1 ASSI { 320} (( segid " " and resid 103 and name HN )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.258 ppm2 0.525 CV 1 ASSI { 323} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.253 ppm2 4.251 CV 1 ASSI { 324} (( segid " " and resid 103 and name HN )) (( segid " " and resid 100 and name HB1 )) 6.000 4.500 0.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.247 ppm2 1.782 CV 1 ASSI { 325} (( segid " " and resid 103 and name HN )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.245 ppm2 0.869 CV 1 ASSI { 361} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.418 ppm2 1.319 CV 1 ASSI { 385} (( segid " " and resid 107 and name HN )) (( segid " " and resid 113 and name HN )) 6.000 4.500 0.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.195 ppm2 9.347 CV 1 ASSI { 386} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HN )) 6.000 4.500 0.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.193 ppm2 8.996 CV 1 ASSI { 387} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HD21)) 6.000 4.500 0.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.193 ppm2 7.793 CV 1 ASSI { 388} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.192 ppm2 5.501 CV 1 ASSI { 393} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 6.000 4.500 0.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.192 ppm2 4.299 CV 1 ASSI { 394} (( segid " " and resid 107 and name HN )) (( segid " " and resid 114 and name HD1 )) 6.000 4.500 0.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.189 ppm2 4.179 CV 1 ASSI { 395} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 6.000 4.500 0.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.192 ppm2 2.689 CV 1 OR { 395} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB1 )) ASSI { 397} (( segid " " and resid 107 and name HN )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.192 ppm2 1.205 CV 1 ASSI { 398} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HG12)) 6.000 4.500 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.193 ppm2 1.053 CV 1 OR { 398} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HG11)) ASSI { 399} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.192 ppm2 0.920 CV 1 ASSI { 400} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.192 ppm2 0.640 CV 1 ASSI { 402} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.189 ppm2 1.418 CV 1 ASSI { 406} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.426 ppm2 9.241 CV 1 ASSI { 428} (( segid " " and resid 107 and name HN )) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.196 ppm2 1.865 CV 1 ASSI { 432} (( segid " " and resid 84 and name HN )) (( segid " " and resid 79 and name HA )) 6.000 4.500 0.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.703 ppm2 4.175 CV 1 ASSI { 433} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB )) 6.000 4.500 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.705 ppm2 2.052 CV 1 ASSI { 434} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB1 )) 6.000 4.500 0.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.704 ppm2 1.603 CV 1 ASSI { 435} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 6.000 4.500 0.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.702 ppm2 1.284 CV 1 ASSI { 436} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG1 )) 6.000 4.500 0.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.705 ppm2 1.191 CV 1 ASSI { 438} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HG2%) 6.000 4.500 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.702 ppm2 0.963 CV 1 OR { 438} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HG1%) ASSI { 441} (( segid " " and resid 84 and name HN )) (( segid " " and resid 88 and name HN )) 6.000 4.500 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.703 ppm2 8.383 CV 1 ASSI { 447} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 6.000 4.500 0.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.788 ppm2 4.520 CV 1 ASSI { 451} (( segid " " and resid 101 and name HN )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.791 ppm2 1.150 CV 1 ASSI { 452} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 6.000 4.500 0.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.786 ppm2 8.405 CV 1 ASSI { 453} (( segid " " and resid 101 and name HN )) (( segid " " and resid 104 and name HN )) 6.000 4.500 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.787 ppm2 8.349 CV 1 ASSI { 454} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HN )) 6.000 4.500 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.783 ppm2 7.525 CV 1 ASSI { 456} (( segid " " and resid 101 and name HN )) (( segid " " and resid 3 and name HA )) 6.000 4.500 0.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.783 ppm2 4.956 CV 1 ASSI { 457} (( segid " " and resid 101 and name HN )) (( segid " " and resid 105 and name HA )) 6.000 4.500 0.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.788 ppm2 4.681 CV 1 ASSI { 458} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB1 )) 6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.787 ppm2 3.316 CV 1 ASSI { 459} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.782 ppm2 2.323 CV 1 ASSI { 460} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB1 )) 6.000 4.500 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.787 ppm2 1.805 CV 1 ASSI { 461} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HG )) 6.000 4.500 0.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.784 ppm2 1.619 CV 1 ASSI { 462} (( segid " " and resid 101 and name HN )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.784 ppm2 0.928 CV 1 ASSI { 463} (( segid " " and resid 101 and name HN )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.784 ppm2 0.835 CV 1 ASSI { 468} (( segid " " and resid 95 and name HN )) (( segid " " and resid 7 and name HA )) 6.000 4.500 0.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.234 ppm2 4.860 CV 1 ASSI { 470} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB1 )) 6.000 4.500 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.233 ppm2 2.518 CV 1 ASSI { 475} (( segid " " and resid 95 and name HN )) (( segid " " and resid 8 and name HN )) 6.000 4.500 0.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.230 ppm2 8.769 CV 1 ASSI { 476} (( segid " " and resid 95 and name HN )) (( segid " " and resid 8 and name HA1 )) 6.000 4.500 0.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.231 ppm2 5.737 CV 1 ASSI { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.233 ppm2 1.601 CV 1 ASSI { 481} (( segid " " and resid 95 and name HN )) ( segid " " and resid 96 and name HD2%) 6.000 4.500 0.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.233 ppm2 0.917 CV 1 OR { 481} (( segid " " and resid 95 and name HN )) ( segid " " and resid 96 and name HD1%) ASSI { 482} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.229 ppm2 0.782 CV 1 ASSI { 483} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA )) 6.000 4.500 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.227 ppm2 5.061 CV 1 ASSI { 484} (( segid " " and resid 95 and name HN )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.223 ppm2 3.722 CV 1 ASSI { 485} (( segid " " and resid 95 and name HN )) (( segid " " and resid 9 and name HB1 )) 6.000 4.500 0.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.220 ppm2 3.686 CV 1 ASSI { 487} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB2 )) 6.000 4.500 0.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.228 ppm2 1.416 CV 1 ASSI { 489} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 6.000 4.500 0.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.535 ppm2 9.976 CV 1 ASSI { 497} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB1 )) 6.000 4.500 0.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.843 ppm2 2.056 CV 1 ASSI { 499} (( segid " " and resid 97 and name HN )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.843 ppm2 0.844 CV 1 ASSI { 500} (( segid " " and resid 97 and name HN )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.844 ppm2 0.684 CV 1 ASSI { 505} (( segid " " and resid 116 and name HN )) (( segid " " and resid 107 and name HD22)) 6.000 4.500 0.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.345 ppm2 6.802 CV 1 ASSI { 507} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 6.000 4.500 0.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.345 ppm2 4.565 CV 1 ASSI { 508} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 6.000 4.500 0.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.350 ppm2 4.171 CV 1 ASSI { 509} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB1 )) 6.000 4.500 0.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.347 ppm2 3.045 CV 1 ASSI { 510} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HN )) 6.000 4.500 0.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.337 ppm2 8.693 CV 1 ASSI { 511} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HD% ) 6.000 4.500 0.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.339 ppm2 6.692 CV 1 ASSI { 512} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB2 )) 6.000 4.500 0.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.341 ppm2 2.940 CV 1 ASSI { 513} (( segid " " and resid 116 and name HN )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.343 ppm2 1.436 CV 1 ASSI { 514} (( segid " " and resid 116 and name HN )) (( segid " " and resid 117 and name HB1 )) 6.000 4.500 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.339 ppm2 0.858 CV 1 ASSI { 519} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.532 ppm2 5.606 CV 1 ASSI { 521} (( segid " " and resid 5 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.534 ppm2 4.823 CV 1 ASSI { 524} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG12)) 6.000 4.500 0.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.529 ppm2 1.532 CV 1 ASSI { 526} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG11)) 6.000 4.500 0.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.529 ppm2 1.092 CV 1 ASSI { 531} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) 6.000 4.500 0.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.528 ppm2 2.735 CV 1 OR { 531} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) ASSI { 533} (( segid " " and resid 5 and name HN )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.525 ppm2 1.231 CV 1 ASSI { 534} (( segid " " and resid 5 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.522 ppm2 0.263 CV 1 ASSI { 535} (( segid " " and resid 97 and name HN )) (( segid " " and resid 6 and name HN )) 6.000 4.500 0.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.845 ppm2 9.969 CV 1 ASSI { 536} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.842 ppm2 5.453 CV 1 ASSI { 538} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 6.000 4.500 0.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.842 ppm2 2.341 CV 1 ASSI { 542} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB2 )) 6.000 4.500 0.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.842 ppm2 0.943 CV 1 OR { 542} (( segid " " and resid 97 and name HN )) ( segid " " and resid 96 and name HD1%) ASSI { 544} (( segid " " and resid 97 and name HN )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.846 ppm2 0.498 CV 1 ASSI { 545} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB1 )) 6.000 4.500 0.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.836 ppm2 2.525 CV 1 ASSI { 549} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.329 ppm2 3.674 CV 1 ASSI { 555} (( segid " " and resid 112 and name HN )) (( segid " " and resid 116 and name HN )) 6.000 4.500 0.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.699 ppm2 8.362 CV 1 ASSI { 559} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB )) 6.000 4.500 0.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.701 ppm2 4.346 CV 1 ASSI { 561} (( segid " " and resid 112 and name HN )) (( segid " " and resid 109 and name HA )) 6.000 4.500 0.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.704 ppm2 4.033 CV 1 ASSI { 562} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 6.000 4.500 0.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.699 ppm2 3.895 CV 1 ASSI { 563} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.700 ppm2 1.436 CV 1 ASSI { 564} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.704 ppm2 1.308 CV 1 ASSI { 566} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG )) 6.000 4.500 0.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.701 ppm2 1.024 CV 1 ASSI { 567} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.700 ppm2 0.888 CV 1 ASSI { 569} (( segid " " and resid 112 and name HN )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.700 ppm2 0.345 CV 1 ASSI { 573} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HN )) 6.000 4.500 0.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.222 ppm2 8.396 CV 1 ASSI { 574} (( segid " " and resid 137 and name HN )) (( segid " " and resid 141 and name HN )) 6.000 4.500 0.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.225 ppm2 7.995 CV 1 ASSI { 575} (( segid " " and resid 137 and name HN )) (( segid " " and resid 139 and name HN )) 6.000 4.500 0.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.219 ppm2 7.470 CV 1 ASSI { 579} (( segid " " and resid 137 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.224 ppm2 4.800 CV 1 ASSI { 580} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 6.000 4.500 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.223 ppm2 4.506 CV 1 ASSI { 582} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HD2 )) 6.000 4.500 0.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.223 ppm2 4.026 CV 1 OR { 582} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HD1 )) ASSI { 585} (( segid " " and resid 137 and name HN )) (( segid " " and resid 140 and name HA1 )) 6.000 4.500 0.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.216 ppm2 3.521 CV 1 ASSI { 586} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) 6.000 4.500 0.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.222 ppm2 3.354 CV 1 ASSI { 587} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.222 ppm2 3.242 CV 1 ASSI { 588} (( segid " " and resid 137 and name HN )) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.226 ppm2 2.654 CV 1 ASSI { 590} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB )) 6.000 4.500 0.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.222 ppm2 1.955 CV 1 ASSI { 591} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HG )) 6.000 4.500 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.220 ppm2 1.211 CV 1 ASSI { 592} (( segid " " and resid 137 and name HN )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.224 ppm2 1.025 CV 1 OR { 592} (( segid " " and resid 137 and name HN )) ( segid " " and resid 136 and name HG1%) ASSI { 593} (( segid " " and resid 137 and name HN )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.221 ppm2 0.479 CV 1 ASSI { 603} (( segid " " and resid 137 and name HN )) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.224 ppm2 2.785 CV 1 ASSI { 615} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 6.000 4.500 0.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.682 ppm2 5.426 CV 1 ASSI { 616} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 6.000 4.500 0.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.683 ppm2 4.557 CV 1 ASSI { 617} (( segid " " and resid 115 and name HN )) (( segid " " and resid 113 and name HA )) 6.000 4.500 0.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.683 ppm2 4.319 CV 1 ASSI { 619} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) 6.000 4.500 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.684 ppm2 3.000 CV 1 ASSI { 621} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HG1 )) 6.000 4.500 0.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.686 ppm2 2.455 CV 1 ASSI { 622} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB1 )) 6.000 4.500 0.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.684 ppm2 2.099 CV 1 ASSI { 625} (( segid " " and resid 115 and name HN )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.685 ppm2 1.411 CV 1 ASSI { 627} (( segid " " and resid 115 and name HN )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.684 ppm2 0.858 CV 1 ASSI { 630} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HA )) 6.000 4.500 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.676 ppm2 4.194 CV 1 ASSI { 631} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB2 )) 6.000 4.500 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.679 ppm2 2.839 CV 1 ASSI { 632} (( segid " " and resid 115 and name HN )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.678 ppm2 1.128 CV 1 ASSI { 633} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HN )) 6.000 4.500 0.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.346 ppm2 8.701 CV 1 ASSI { 639} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 6.000 4.500 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.339 ppm2 4.331 CV 1 ASSI { 640} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB1 )) 6.000 4.500 0.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.338 ppm2 1.651 CV 1 ASSI { 641} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB2 )) 6.000 4.500 0.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.328 ppm2 1.801 CV 1 ASSI { 642} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 6.000 4.500 0.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.299 ppm2 9.193 CV 1 ASSI { 647} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.295 ppm2 7.353 CV 1 ASSI { 648} (( segid " " and resid 36 and name HN )) (( segid " " and resid 58 and name HA )) 6.000 4.500 0.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.297 ppm2 4.947 CV 1 ASSI { 649} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 6.000 4.500 0.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.296 ppm2 4.600 CV 1 ASSI { 652} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB )) 6.000 4.500 0.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.298 ppm2 4.106 CV 1 ASSI { 655} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB )) 6.000 4.500 0.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.295 ppm2 1.949 CV 1 ASSI { 657} (( segid " " and resid 36 and name HN )) ( segid " " and resid 36 and name HG2%) 6.000 4.500 0.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.298 ppm2 1.318 CV 1 ASSI { 658} (( segid " " and resid 36 and name HN )) ( segid " " and resid 35 and name HG2%) 6.000 4.500 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.296 ppm2 1.246 CV 1 ASSI { 659} (( segid " " and resid 36 and name HN )) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.296 ppm2 1.096 CV 1 ASSI { 666} (( segid " " and resid 10 and name HN )) (( segid " " and resid 94 and name HA )) 6.000 4.500 0.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.286 ppm2 5.055 CV 1 ASSI { 669} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.130 ppm2 7.589 CV 1 ASSI { 673} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.126 ppm2 2.736 CV 1 ASSI { 674} (( segid " " and resid 28 and name HN )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.126 ppm2 1.269 CV 1 ASSI { 682} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HN )) 6.000 4.500 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.805 ppm2 8.389 CV 1 ASSI { 683} (( segid " " and resid 153 and name HN )) (( segid " " and resid 151 and name HN )) 6.000 4.500 0.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.804 ppm2 7.529 CV 1 ASSI { 684} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HN )) 6.000 4.500 0.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.805 ppm2 7.241 CV 1 ASSI { 686} (( segid " " and resid 153 and name HN )) (( segid " " and resid 148 and name HD2 )) 6.000 4.500 0.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.804 ppm2 6.966 CV 1 ASSI { 688} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 6.000 4.500 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.804 ppm2 4.624 CV 1 ASSI { 690} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.803 ppm2 3.400 CV 1 ASSI { 691} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HA )) 6.000 4.500 0.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.807 ppm2 2.992 CV 1 ASSI { 692} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 6.000 4.500 0.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.804 ppm2 2.737 CV 1 ASSI { 693} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB1 )) 6.000 4.500 0.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.804 ppm2 2.600 CV 1 ASSI { 694} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HB2 )) 6.000 4.500 0.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.804 ppm2 1.361 CV 1 OR { 694} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HB1 )) OR { 694} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HD2 )) ASSI { 696} (( segid " " and resid 153 and name HN )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.799 ppm2 0.890 CV 1 ASSI { 700} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) 6.000 4.500 0.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.287 ppm2 8.545 CV 1 ASSI { 703} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB1 )) 6.000 4.500 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.274 ppm2 3.667 CV 1 ASSI { 708} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 6.000 4.500 0.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.128 ppm2 7.314 CV 1 ASSI { 710} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 6.000 4.500 0.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.129 ppm2 4.915 CV 1 ASSI { 713} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 6.000 4.500 0.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.127 ppm2 3.751 CV 1 ASSI { 714} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.128 ppm2 3.643 CV 1 ASSI { 716} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 6.000 4.500 0.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.127 ppm2 2.918 CV 1 ASSI { 717} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 6.000 4.500 0.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.126 ppm2 2.598 CV 1 ASSI { 719} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG11)) 6.000 4.500 0.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.127 ppm2 2.076 CV 1 OR { 719} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG12)) ASSI { 720} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.127 ppm2 1.537 CV 1 ASSI { 722} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HD1%) 6.000 4.500 0.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.128 ppm2 0.781 CV 1 ASSI { 723} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.128 ppm2 0.605 CV 1 ASSI { 730} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 6.000 4.500 0.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.177 ppm2 3.333 CV 1 ASSI { 732} (( segid " " and resid 33 and name HN )) (( segid " " and resid 60 and name HB2 )) 6.000 4.500 0.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.178 ppm2 1.007 CV 1 ASSI { 733} (( segid " " and resid 33 and name HN )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.177 ppm2 0.653 CV 1 ASSI { 736} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 6.000 4.500 0.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.174 ppm2 4.910 CV 1 ASSI { 737} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.175 ppm2 3.131 CV 1 ASSI { 738} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB )) 6.000 4.500 0.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.175 ppm2 1.766 CV 1 ASSI { 739} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG12)) 6.000 4.500 0.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.175 ppm2 1.573 CV 1 OR { 739} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG11)) ASSI { 752} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.688 ppm2 0.631 CV 1 ASSI { 762} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HE21)) 6.000 4.500 0.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.193 ppm2 6.837 CV 1 ASSI { 765} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HB1 )) 6.000 4.500 0.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.194 ppm2 1.989 CV 1 ASSI { 766} (( segid " " and resid 20 and name HN )) (( segid " " and resid 23 and name HD1 )) 6.000 4.500 0.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.196 ppm2 1.664 CV 1 OR { 766} (( segid " " and resid 20 and name HN )) (( segid " " and resid 23 and name HD2 )) ASSI { 771} (( segid " " and resid 20 and name HN )) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.194 ppm2 0.766 CV 1 ASSI { 773} (( segid " " and resid 41 and name HN )) (( segid " " and resid 155 and name HN )) 6.000 4.500 0.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.947 ppm2 7.431 CV 1 ASSI { 777} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 777 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.937 ppm2 7.143 CV 1 ASSI { 779} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 6.000 4.500 0.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.937 ppm2 5.758 CV 1 ASSI { 781} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 6.000 4.500 0.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.935 ppm2 5.159 CV 1 ASSI { 782} (( segid " " and resid 41 and name HN )) (( segid " " and resid 156 and name HA )) 6.000 4.500 0.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.940 ppm2 4.830 CV 1 ASSI { 783} (( segid " " and resid 41 and name HN )) (( segid " " and resid 157 and name HA )) 6.000 4.500 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.935 ppm2 4.472 CV 1 ASSI { 786} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB1 )) 6.000 4.500 0.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.933 ppm2 1.683 CV 1 OR { 786} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 788} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG1 )) 6.000 4.500 0.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.935 ppm2 1.146 CV 1 ASSI { 790} (( segid " " and resid 41 and name HN )) (( segid " " and resid 158 and name HA )) 6.000 4.500 0.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.924 ppm2 3.880 CV 1 ASSI { 791} (( segid " " and resid 41 and name HN )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.927 ppm2 1.975 CV 1 ASSI { 794} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) 6.000 4.500 0.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.598 ppm2 8.191 CV 1 ASSI { 795} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.598 ppm2 7.745 CV 1 ASSI { 796} (( segid " " and resid 21 and name HN )) (( segid " " and resid 17 and name HE21)) 6.000 6.000 0.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.593 ppm2 6.836 CV 1 ASSI { 799} (( segid " " and resid 21 and name HN )) (( segid " " and resid 18 and name HA )) 6.000 4.500 0.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.598 ppm2 3.333 CV 1 ASSI { 800} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HB1 )) 6.000 4.500 0.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.599 ppm2 2.869 CV 1 ASSI { 801} (( segid " " and resid 21 and name HN )) (( segid " " and resid 80 and name HB1 )) 6.000 4.500 0.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.598 ppm2 2.294 CV 1 OR { 801} (( segid " " and resid 21 and name HN )) (( segid " " and resid 80 and name HB2 )) ASSI { 802} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HB2 )) 6.000 4.500 0.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.593 ppm2 1.930 CV 1 OR { 802} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HB1 )) ASSI { 803} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HD1 )) 6.000 4.500 0.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.596 ppm2 1.667 CV 1 OR { 803} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HD2 )) ASSI { 804} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HB% ) 6.000 4.500 0.000 peak 804 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.597 ppm2 1.469 CV 1 ASSI { 806} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HA )) 6.000 4.500 0.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.311 ppm2 4.559 CV 1 ASSI { 808} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 6.000 4.500 0.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.312 ppm2 1.593 CV 1 ASSI { 809} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB1 )) 6.000 4.500 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.308 ppm2 0.859 CV 1 ASSI { 810} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.302 ppm2 1.970 CV 1 ASSI { 813} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 6.000 4.500 0.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.196 ppm2 8.438 CV 1 ASSI { 814} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.195 ppm2 7.387 CV 1 ASSI { 815} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.196 ppm2 4.190 CV 1 ASSI { 817} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HA )) 6.000 4.500 0.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.198 ppm2 3.329 CV 1 ASSI { 818} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB1 )) 6.000 4.500 0.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.195 ppm2 2.886 CV 1 ASSI { 819} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 6.000 4.500 0.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.195 ppm2 2.679 CV 1 ASSI { 823} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HB% ) 6.000 4.500 0.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.195 ppm2 1.530 CV 1 ASSI { 824} (( segid " " and resid 20 and name HN )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.198 ppm2 0.311 CV 1 ASSI { 830} (( segid " " and resid 21 and name HN )) (( segid " " and resid 76 and name HN )) 6.000 4.500 0.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.597 ppm2 8.084 CV 1 ASSI { 836} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 6.000 4.500 0.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.543 ppm2 8.386 CV 1 ASSI { 837} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 6.000 4.500 0.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 8.233 CV 1 ASSI { 838} (( segid " " and resid 64 and name HN )) (( segid " " and resid 31 and name HN )) 6.000 4.500 0.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.545 ppm2 7.292 CV 1 ASSI { 840} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.545 ppm2 5.503 CV 1 ASSI { 841} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 6.000 4.500 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 4.974 CV 1 ASSI { 844} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 6.000 4.500 0.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.548 ppm2 4.221 CV 1 ASSI { 845} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 6.000 4.500 0.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.548 ppm2 4.062 CV 1 OR { 845} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 846} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 3.808 CV 1 ASSI { 847} (( segid " " and resid 64 and name HN )) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.544 ppm2 3.641 CV 1 ASSI { 848} (( segid " " and resid 64 and name HN )) (( segid " " and resid 31 and name HB2 )) 6.000 4.500 0.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.545 ppm2 3.598 CV 1 OR { 848} (( segid " " and resid 64 and name HN )) (( segid " " and resid 31 and name HB1 )) ASSI { 852} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB1 )) 6.000 4.500 0.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 1.740 CV 1 ASSI { 853} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 6.000 4.500 0.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 1.484 CV 1 ASSI { 854} (( segid " " and resid 64 and name HN )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 1.274 CV 1 ASSI { 855} (( segid " " and resid 64 and name HN )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.547 ppm2 1.087 CV 1 ASSI { 856} (( segid " " and resid 64 and name HN )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.545 ppm2 0.944 CV 1 OR { 856} (( segid " " and resid 64 and name HN )) ( segid " " and resid 69 and name HD2%) ASSI { 857} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.545 ppm2 0.737 CV 1 OR { 857} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HD2%) OR { 857} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HD1%) ASSI { 861} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HA )) 6.000 4.500 0.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.319 ppm2 3.832 CV 1 ASSI { 864} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 6.000 4.500 0.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.308 ppm2 7.544 CV 1 ASSI { 867} (( segid " " and resid 117 and name HN )) (( segid " " and resid 120 and name HD22)) 6.000 4.500 0.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.310 ppm2 6.904 CV 1 ASSI { 871} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 6.000 4.500 0.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.309 ppm2 5.030 CV 1 ASSI { 872} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HG1 )) 6.000 4.500 0.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.309 ppm2 3.281 CV 1 ASSI { 873} (( segid " " and resid 117 and name HN )) (( segid " " and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 873 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.309 ppm2 3.026 CV 1 ASSI { 874} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HB2 )) 6.000 4.500 0.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.311 ppm2 2.967 CV 1 ASSI { 875} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.311 ppm2 2.145 CV 1 ASSI { 878} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 6.000 4.500 0.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.301 ppm2 4.172 CV 1 ASSI { 881} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HN )) 6.000 4.500 0.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 7.979 CV 1 ASSI { 882} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.268 ppm2 6.732 CV 1 ASSI { 883} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.270 ppm2 4.810 CV 1 ASSI { 885} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 6.000 4.500 0.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 4.284 CV 1 ASSI { 886} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 4.062 CV 1 ASSI { 887} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 2.810 CV 1 ASSI { 890} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB2 )) 6.000 4.500 0.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 1.867 CV 1 ASSI { 891} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB1 )) 6.000 4.500 0.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.268 ppm2 1.761 CV 1 ASSI { 893} (( segid " " and resid 142 and name HN )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 1.023 CV 1 ASSI { 894} (( segid " " and resid 142 and name HN )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 0.474 CV 1 ASSI { 897} (( segid " " and resid 142 and name HN )) (( segid " " and resid 146 and name HN )) 6.000 4.500 0.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.264 ppm2 7.869 CV 1 ASSI { 899} (( segid " " and resid 142 and name HN )) (( segid " " and resid 133 and name HA )) 6.000 4.500 0.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.262 ppm2 4.147 CV 1 ASSI { 900} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.265 ppm2 2.659 CV 1 ASSI { 901} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HG1 )) 6.000 4.500 0.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.266 ppm2 2.491 CV 1 OR { 901} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HG2 )) ASSI { 903} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HN )) 6.000 4.500 0.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.196 ppm2 8.750 CV 1 ASSI { 904} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HN )) 6.000 4.500 0.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.553 ppm2 9.210 CV 1 ASSI { 905} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 6.000 4.500 0.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.263 ppm2 4.242 CV 1 ASSI { 908} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 6.000 4.500 0.000 peak 908 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.260 ppm2 1.273 CV 1 OR { 908} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 910} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.259 ppm2 0.881 CV 1 ASSI { 914} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.404 ppm2 7.102 CV 1 ASSI { 915} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.396 ppm2 6.987 CV 1 ASSI { 916} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.389 ppm2 3.311 CV 1 ASSI { 917} (( segid " " and resid 37 and name HN )) (( segid " " and resid 57 and name HN )) 6.000 4.500 0.000 peak 917 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 9.471 CV 1 ASSI { 918} (( segid " " and resid 37 and name HN )) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.207 ppm2 8.600 CV 1 ASSI { 922} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 6.000 4.500 0.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 5.057 CV 1 ASSI { 924} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 6.000 4.500 0.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 4.799 CV 1 ASSI { 925} (( segid " " and resid 37 and name HN )) (( segid " " and resid 131 and name HA )) 6.000 4.500 0.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.210 ppm2 4.475 CV 1 ASSI { 926} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HA )) 6.000 4.500 0.000 peak 926 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 4.252 CV 1 ASSI { 927} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 6.000 4.500 0.000 peak 927 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.206 ppm2 4.048 CV 1 OR { 927} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 928} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HB2 )) 6.000 4.500 0.000 peak 928 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 3.756 CV 1 ASSI { 929} (( segid " " and resid 37 and name HN )) (( segid " " and resid 127 and name HB1 )) 6.000 4.500 0.000 peak 929 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 2.596 CV 1 ASSI { 933} (( segid " " and resid 37 and name HN )) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.206 ppm2 1.101 CV 1 ASSI { 934} (( segid " " and resid 37 and name HN )) ( segid " " and resid 58 and name HG1%) 6.000 4.500 0.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 0.964 CV 1 OR { 934} (( segid " " and resid 37 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 938} (( segid " " and resid 37 and name HN )) (( segid " " and resid 130 and name HG1 )) 6.000 6.000 0.000 peak 938 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.197 ppm2 2.542 CV 1 ASSI { 946} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.599 ppm2 1.227 CV 1 ASSI { 947} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 6.000 4.500 0.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.590 ppm2 1.690 CV 1 OR { 947} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 950} (( segid " " and resid 57 and name HN )) (( segid " " and resid 39 and name HA )) 6.000 4.500 0.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.490 ppm2 5.395 CV 1 ASSI { 951} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 6.000 4.500 0.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.490 ppm2 4.950 CV 1 ASSI { 952} (( segid " " and resid 57 and name HN )) (( segid " " and resid 36 and name HA )) 6.000 4.500 0.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.491 ppm2 4.811 CV 1 ASSI { 953} (( segid " " and resid 57 and name HN )) (( segid " " and resid 127 and name HA )) 6.000 4.500 0.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.491 ppm2 4.447 CV 1 ASSI { 958} (( segid " " and resid 57 and name HN )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.485 ppm2 6.974 CV 1 ASSI { 961} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.483 ppm2 5.673 CV 1 ASSI { 962} (( segid " " and resid 57 and name HN )) (( segid " " and resid 38 and name HA )) 6.000 4.500 0.000 peak 962 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.483 ppm2 4.259 CV 1 ASSI { 963} (( segid " " and resid 57 and name HN )) (( segid " " and resid 37 and name HB2 )) 6.000 4.500 0.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.482 ppm2 4.066 CV 1 OR { 963} (( segid " " and resid 57 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 964} (( segid " " and resid 57 and name HN )) (( segid " " and resid 128 and name HA )) 6.000 4.500 0.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.484 ppm2 3.831 CV 1 ASSI { 965} (( segid " " and resid 57 and name HN )) (( segid " " and resid 127 and name HB1 )) 6.000 4.500 0.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.484 ppm2 2.626 CV 1 ASSI { 966} (( segid " " and resid 57 and name HN )) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.484 ppm2 1.952 CV 1 ASSI { 967} (( segid " " and resid 57 and name HN )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.478 ppm2 1.602 CV 1 ASSI { 968} (( segid " " and resid 57 and name HN )) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.485 ppm2 1.456 CV 1 ASSI { 969} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.486 ppm2 1.340 CV 1 ASSI { 971} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG1%) 6.000 4.500 0.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.486 ppm2 0.988 CV 1 OR { 971} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 984} (( segid " " and resid 40 and name HN )) (( segid " " and resid 157 and name HA )) 6.000 4.500 0.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.402 ppm2 4.455 CV 1 ASSI { 987} (( segid " " and resid 40 and name HN )) (( segid " " and resid 55 and name HN )) 6.000 4.500 0.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.394 ppm2 9.155 CV 1 ASSI { 989} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 6.000 4.500 0.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.390 ppm2 5.373 CV 1 ASSI { 990} (( segid " " and resid 40 and name HN )) (( segid " " and resid 158 and name HB2 )) 6.000 4.500 0.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.393 ppm2 3.110 CV 1 ASSI { 992} (( segid " " and resid 40 and name HN )) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.393 ppm2 1.465 CV 1 ASSI { 996} (( segid " " and resid 40 and name HN )) (( segid " " and resid 56 and name HA )) 6.000 4.500 0.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.378 ppm2 4.925 CV 1 ASSI { 1000} (( segid " " and resid 55 and name HN )) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.145 ppm2 1.460 CV 1 ASSI { 1005} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HN )) 6.000 4.500 0.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 8.699 CV 1 ASSI { 1008} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 6.000 4.500 0.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 5.362 CV 1 ASSI { 1009} (( segid " " and resid 55 and name HN )) (( segid " " and resid 40 and name HA )) 6.000 4.500 0.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 5.169 CV 1 ASSI { 1011} (( segid " " and resid 55 and name HN )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.156 ppm2 3.305 CV 1 ASSI { 1012} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) 6.000 4.500 0.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.154 ppm2 3.146 CV 1 ASSI { 1013} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 6.000 4.500 0.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 2.403 CV 1 ASSI { 1014} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HG )) 6.000 4.500 0.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.151 ppm2 1.128 CV 1 ASSI { 1015} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) 6.000 4.500 0.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 0.943 CV 1 ASSI { 1016} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 0.630 CV 1 ASSI { 1017} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 0.176 CV 1 ASSI { 1020} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 6.000 4.500 0.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.146 ppm2 6.130 CV 1 ASSI { 1021} (( segid " " and resid 55 and name HN )) (( segid " " and resid 41 and name HA )) 6.000 4.500 0.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.144 ppm2 5.771 CV 1 ASSI { 1023} (( segid " " and resid 55 and name HN )) (( segid " " and resid 41 and name HB2 )) 6.000 4.500 0.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.143 ppm2 1.666 CV 1 OR { 1023} (( segid " " and resid 55 and name HN )) (( segid " " and resid 41 and name HB1 )) ASSI { 1024} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.150 ppm2 -0.519 CV 1 ASSI { 1032} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HN )) 6.000 4.500 0.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.375 ppm2 8.231 CV 1 ASSI { 1033} (( segid " " and resid 65 and name HN )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.375 ppm2 6.868 CV 1 ASSI { 1034} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 6.000 4.500 0.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 4.224 CV 1 ASSI { 1036} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HD2 )) 6.000 4.500 0.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.375 ppm2 3.627 CV 1 ASSI { 1037} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HD1 )) 6.000 4.500 0.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 3.398 CV 1 ASSI { 1038} (( segid " " and resid 65 and name HN )) (( segid " " and resid 68 and name HG1 )) 6.000 4.500 0.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 2.393 CV 1 OR { 1038} (( segid " " and resid 65 and name HN )) (( segid " " and resid 68 and name HG2 )) ASSI { 1039} (( segid " " and resid 65 and name HN )) (( segid " " and resid 68 and name HB2 )) 6.000 4.500 0.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.375 ppm2 2.264 CV 1 ASSI { 1042} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB1 )) 6.000 4.500 0.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 1.749 CV 1 ASSI { 1043} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 1.443 CV 1 ASSI { 1055} (( segid " " and resid 146 and name HN )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.882 ppm2 7.430 CV 1 ASSI { 1056} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 6.740 CV 1 ASSI { 1057} (( segid " " and resid 146 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.884 ppm2 4.818 CV 1 ASSI { 1059} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 6.000 4.500 0.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.882 ppm2 3.647 CV 1 ASSI { 1060} (( segid " " and resid 146 and name HN )) (( segid " " and resid 148 and name HB1 )) 6.000 4.500 0.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.878 ppm2 3.204 CV 1 ASSI { 1061} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG2 )) 6.000 4.500 0.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.882 ppm2 2.477 CV 1 OR { 1061} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG1 )) ASSI { 1063} (( segid " " and resid 146 and name HN )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 2.077 CV 1 ASSI { 1064} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.881 ppm2 1.799 CV 1 ASSI { 1065} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 1.593 CV 1 ASSI { 1067} (( segid " " and resid 146 and name HN )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 1.112 CV 1 ASSI { 1068} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HG12)) 6.000 4.500 0.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.879 ppm2 0.967 CV 1 ASSI { 1069} (( segid " " and resid 146 and name HN )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.879 ppm2 0.748 CV 1 ASSI { 1070} (( segid " " and resid 146 and name HN )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 0.481 CV 1 ASSI { 1074} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HB2 )) 6.000 4.500 0.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.441 ppm2 2.744 CV 1 ASSI { 1076} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HD2 )) 6.000 4.500 0.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.251 ppm2 3.435 CV 1 ASSI { 1080} (( segid " " and resid 135 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 4.819 CV 1 ASSI { 1082} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 6.000 4.500 0.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.246 ppm2 4.547 CV 1 ASSI { 1084} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HA )) 6.000 4.500 0.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.243 ppm2 4.123 CV 1 ASSI { 1085} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 3.840 CV 1 ASSI { 1087} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB2 )) 6.000 4.500 0.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 2.308 CV 1 OR { 1087} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HG2 )) ASSI { 1088} (( segid " " and resid 135 and name HN )) (( segid " " and resid 136 and name HB )) 6.000 4.500 0.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.246 ppm2 1.960 CV 1 ASSI { 1091} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HB2 )) 6.000 4.500 0.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 1.484 CV 1 ASSI { 1092} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.246 ppm2 1.308 CV 1 ASSI { 1093} (( segid " " and resid 135 and name HN )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 0.990 CV 1 ASSI { 1094} (( segid " " and resid 135 and name HN )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.244 ppm2 0.385 CV 1 ASSI { 1095} (( segid " " and resid 135 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 0.258 CV 1 ASSI { 1096} (( segid " " and resid 135 and name HN )) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 0.087 CV 1 ASSI { 1105} (( segid " " and resid 65 and name HN )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.381 ppm2 8.142 CV 1 ASSI { 1109} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 6.000 4.500 0.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.256 ppm2 9.205 CV 1 ASSI { 1110} (( segid " " and resid 63 and name HN )) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.252 ppm2 8.975 CV 1 ASSI { 1111} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.252 ppm2 5.504 CV 1 ASSI { 1112} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.257 ppm2 3.824 CV 1 ASSI { 1116} (( segid " " and resid 63 and name HN )) (( segid " " and resid 30 and name HB2 )) 6.000 4.500 0.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.254 ppm2 1.988 CV 1 ASSI { 1117} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB1 )) 6.000 4.500 0.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.255 ppm2 1.766 CV 1 ASSI { 1119} (( segid " " and resid 63 and name HN )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.255 ppm2 1.294 CV 1 ASSI { 1123} (( segid " " and resid 63 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.249 ppm2 5.904 CV 1 ASSI { 1124} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 6.000 4.500 0.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.250 ppm2 4.974 CV 1 ASSI { 1128} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HA )) 6.000 4.500 0.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.250 ppm2 4.221 CV 1 ASSI { 1129} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 6.000 4.500 0.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.250 ppm2 4.051 CV 1 OR { 1129} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) ASSI { 1130} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB2 )) 6.000 4.500 0.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.248 ppm2 1.490 CV 1 ASSI { 1131} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.248 ppm2 1.094 CV 1 ASSI { 1133} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.249 ppm2 0.730 CV 1 OR { 1133} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HD2%) OR { 1133} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HD1%) ASSI { 1136} (( segid " " and resid 146 and name HN )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.888 ppm2 1.931 CV 1 ASSI { 1137} (( segid " " and resid 146 and name HN )) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.875 ppm2 7.553 CV 1 ASSI { 1138} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 4.247 CV 1 ASSI { 1143} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HN )) 6.000 4.500 0.000 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.452 ppm2 9.069 CV 1 ASSI { 1146} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 6.000 4.500 0.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.451 ppm2 4.530 CV 1 ASSI { 1147} (( segid " " and resid 155 and name HN )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.452 ppm2 2.976 CV 1 ASSI { 1149} (( segid " " and resid 155 and name HN )) (( segid " " and resid 144 and name HG1 )) 6.000 4.500 0.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.451 ppm2 1.619 CV 1 OR { 1149} (( segid " " and resid 155 and name HN )) (( segid " " and resid 144 and name HG2 )) ASSI { 1150} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB2 )) 6.000 4.500 0.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.456 ppm2 1.502 CV 1 ASSI { 1151} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HD2 )) 6.000 4.500 0.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.454 ppm2 1.376 CV 1 OR { 1151} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HD1 )) OR { 1151} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB1 )) OR { 1151} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB2 )) ASSI { 1152} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HG1 )) 6.000 4.500 0.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.452 ppm2 1.040 CV 1 ASSI { 1153} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.449 ppm2 0.910 CV 1 ASSI { 1157} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.244 ppm2 8.285 CV 1 ASSI { 1159} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HG1 )) 6.000 4.500 0.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.243 ppm2 2.136 CV 1 ASSI { 1165} (( segid " " and resid 56 and name HN )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.207 ppm2 3.766 CV 1 ASSI { 1166} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 6.000 4.500 0.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.206 ppm2 3.153 CV 1 ASSI { 1167} (( segid " " and resid 56 and name HN )) (( segid " " and resid 127 and name HB1 )) 6.000 4.500 0.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.203 ppm2 2.637 CV 1 ASSI { 1168} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 6.000 4.500 0.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.205 ppm2 2.395 CV 1 ASSI { 1173} (( segid " " and resid 56 and name HN )) (( segid " " and resid 7 and name HN )) 6.000 4.500 0.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.200 ppm2 8.807 CV 1 ASSI { 1175} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 6.000 4.500 0.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.202 ppm2 6.129 CV 1 ASSI { 1177} (( segid " " and resid 56 and name HN )) (( segid " " and resid 8 and name HA1 )) 6.000 4.500 0.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.199 ppm2 5.713 CV 1 ASSI { 1178} (( segid " " and resid 56 and name HN )) (( segid " " and resid 6 and name HA )) 6.000 4.500 0.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.194 ppm2 5.069 CV 1 ASSI { 1179} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 6.000 4.500 0.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.198 ppm2 4.932 CV 1 ASSI { 1181} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.199 ppm2 1.458 CV 1 ASSI { 1188} (( segid " " and resid 7 and name HN )) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.829 ppm2 5.656 CV 1 ASSI { 1189} (( segid " " and resid 7 and name HN )) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.836 ppm2 5.476 CV 1 ASSI { 1190} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 6.000 4.500 0.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.828 ppm2 5.057 CV 1 ASSI { 1192} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.826 ppm2 1.763 CV 1 ASSI { 1194} (( segid " " and resid 7 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.831 ppm2 1.364 CV 1 ASSI { 1196} (( segid " " and resid 7 and name HN )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.835 ppm2 0.951 CV 1 OR { 1196} (( segid " " and resid 7 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 1198} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.828 ppm2 0.672 CV 1 ASSI { 1203} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HN )) 6.000 4.500 0.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.390 ppm2 7.433 CV 1 ASSI { 1204} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 6.000 4.500 0.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.391 ppm2 4.578 CV 1 ASSI { 1205} (( segid " " and resid 154 and name HN )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.389 ppm2 2.972 CV 1 ASSI { 1206} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 6.000 4.500 0.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.389 ppm2 2.747 CV 1 ASSI { 1207} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB1 )) 6.000 4.500 0.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.391 ppm2 2.602 CV 1 ASSI { 1208} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB2 )) 6.000 4.500 0.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.390 ppm2 1.370 CV 1 OR { 1208} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB1 )) OR { 1208} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HD2 )) ASSI { 1209} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HG1 )) 6.000 4.500 0.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.389 ppm2 1.031 CV 1 ASSI { 1212} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 6.000 4.500 0.000 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.169 ppm2 1.613 CV 1 OR { 1212} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 1215} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 6.000 4.500 0.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.196 ppm2 9.455 CV 1 ASSI { 1217} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.013 ppm2 7.893 CV 1 ASSI { 1218} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.016 ppm2 7.744 CV 1 ASSI { 1219} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.014 ppm2 7.578 CV 1 ASSI { 1221} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 6.000 4.500 0.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.014 ppm2 2.127 CV 1 ASSI { 1223} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HB% ) 6.000 4.500 0.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.011 ppm2 1.517 CV 1 ASSI { 1224} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.012 ppm2 1.247 CV 1 ASSI { 1225} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HD1%) 6.000 4.500 0.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.011 ppm2 0.833 CV 1 OR { 1225} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HD2%) ASSI { 1226} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.004 ppm2 4.183 CV 1 ASSI { 1233} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.881 ppm2 9.288 CV 1 ASSI { 1236} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 6.000 4.500 0.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.879 ppm2 7.660 CV 1 ASSI { 1239} (( segid " " and resid 74 and name HN )) (( segid " " and resid 70 and name HA )) 6.000 4.500 0.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.884 ppm2 4.555 CV 1 ASSI { 1240} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 6.000 4.500 0.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.882 ppm2 4.195 CV 1 ASSI { 1241} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB )) 6.000 4.500 0.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.884 ppm2 3.922 CV 1 ASSI { 1243} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG2 )) 6.000 4.500 0.000 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.879 ppm2 2.923 CV 1 ASSI { 1245} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG1 )) 6.000 4.500 0.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.879 ppm2 2.404 CV 1 ASSI { 1246} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 6.000 4.500 0.000 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.878 ppm2 2.214 CV 1 OR { 1246} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) ASSI { 1250} (( segid " " and resid 74 and name HN )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.878 ppm2 1.042 CV 1 ASSI { 1257} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HN )) 6.000 4.500 0.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.816 ppm2 9.953 CV 1 ASSI { 1260} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 6.000 4.500 0.000 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 9.431 CV 1 ASSI { 1265} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 6.975 CV 1 ASSI { 1266} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 6.000 4.500 0.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 5.384 CV 1 ASSI { 1267} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HA )) 6.000 4.500 0.000 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.741 ppm2 5.078 CV 1 ASSI { 1269} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 6.000 4.500 0.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.737 ppm2 4.283 CV 1 ASSI { 1270} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) 6.000 4.500 0.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 3.750 CV 1 ASSI { 1271} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB1 )) 6.000 4.500 0.000 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.737 ppm2 3.602 CV 1 ASSI { 1272} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.735 ppm2 3.320 CV 1 ASSI { 1273} (( segid " " and resid 39 and name HN )) (( segid " " and resid 158 and name HB2 )) 6.000 4.500 0.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 3.126 CV 1 ASSI { 1274} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB1 )) 6.000 4.500 0.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.736 ppm2 2.813 CV 1 ASSI { 1276} (( segid " " and resid 39 and name HN )) (( segid " " and resid 157 and name HG1 )) 6.000 4.500 0.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.744 ppm2 1.562 CV 1 ASSI { 1281} (( segid " " and resid 39 and name HN )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.714 ppm2 1.972 CV 1 ASSI { 1296} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HA )) 6.000 4.500 0.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.082 ppm2 4.383 CV 1 ASSI { 1297} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HD1 )) 6.000 4.500 0.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.074 ppm2 3.173 CV 1 ASSI { 1302} (( segid " " and resid 75 and name HN )) (( segid " " and resid 21 and name HA )) 6.000 4.500 0.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.645 ppm2 3.955 CV 1 ASSI { 1304} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.643 ppm2 3.420 CV 1 ASSI { 1311} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HN )) 6.000 4.500 0.000 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.879 ppm2 8.079 CV 1 ASSI { 1316} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.194 ppm2 8.531 CV 1 ASSI { 1317} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 6.000 4.500 0.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.195 ppm2 4.083 CV 1 ASSI { 1324} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.075 ppm2 8.294 CV 1 ASSI { 1325} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 6.000 4.500 0.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.073 ppm2 4.133 CV 1 ASSI { 1326} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HB )) 6.000 4.500 0.000 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.070 ppm2 3.906 CV 1 ASSI { 1327} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 6.000 4.500 0.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 3.760 CV 1 ASSI { 1329} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.074 ppm2 2.274 CV 1 ASSI { 1330} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG12)) 6.000 4.500 0.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 2.093 CV 1 OR { 1330} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG11)) ASSI { 1334} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 0.846 CV 1 ASSI { 1337} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG1 )) 6.000 4.500 0.000 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.067 ppm2 1.666 CV 1 ASSI { 1340} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.647 ppm2 9.273 CV 1 ASSI { 1341} (( segid " " and resid 75 and name HN )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.643 ppm2 8.308 CV 1 ASSI { 1342} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 6.000 4.500 0.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.640 ppm2 8.069 CV 1 ASSI { 1344} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 6.000 4.500 0.000 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.641 ppm2 4.387 CV 1 ASSI { 1345} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 6.000 4.500 0.000 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.644 ppm2 4.137 CV 1 ASSI { 1346} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HD2 )) 6.000 4.500 0.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.645 ppm2 3.317 CV 1 ASSI { 1347} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HD1 )) 6.000 4.500 0.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.645 ppm2 3.151 CV 1 ASSI { 1348} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG1 )) 6.000 4.500 0.000 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.643 ppm2 2.415 CV 1 ASSI { 1349} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.643 ppm2 2.273 CV 1 ASSI { 1352} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG1 )) 6.000 4.500 0.000 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.644 ppm2 1.664 CV 1 ASSI { 1356} (( segid " " and resid 75 and name HN )) ( segid " " and resid 78 and name HD2%) 6.000 4.500 0.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.646 ppm2 0.781 CV 1 OR { 1356} (( segid " " and resid 75 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 1359} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HN )) 6.000 4.500 0.000 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 8.780 CV 1 ASSI { 1362} (( segid " " and resid 62 and name HN )) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 4.226 CV 1 ASSI { 1374} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.994 ppm2 3.043 CV 1 ASSI { 1378} (( segid " " and resid 141 and name HN )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.993 ppm2 1.022 CV 1 OR { 1378} (( segid " " and resid 141 and name HN )) ( segid " " and resid 136 and name HG1%) ASSI { 1382} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 6.000 4.500 0.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.991 ppm2 8.363 CV 1 ASSI { 1383} (( segid " " and resid 141 and name HN )) (( segid " " and resid 146 and name HN )) 6.000 4.500 0.000 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.991 ppm2 7.847 CV 1 ASSI { 1384} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HN )) 6.000 4.500 0.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.990 ppm2 7.487 CV 1 ASSI { 1387} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 6.000 4.500 0.000 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.990 ppm2 4.289 CV 1 ASSI { 1388} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA1 )) 6.000 4.500 0.000 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.990 ppm2 3.514 CV 1 ASSI { 1389} (( segid " " and resid 141 and name HN )) (( segid " " and resid 137 and name HB2 )) 6.000 4.500 0.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.989 ppm2 3.364 CV 1 ASSI { 1390} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.985 ppm2 2.822 CV 1 ASSI { 1391} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.988 ppm2 2.605 CV 1 ASSI { 1392} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.990 ppm2 2.285 CV 1 ASSI { 1393} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.991 ppm2 2.049 CV 1 ASSI { 1394} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 6.000 4.500 0.000 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.991 ppm2 1.859 CV 1 ASSI { 1395} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB1 )) 6.000 4.500 0.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.991 ppm2 1.765 CV 1 ASSI { 1397} (( segid " " and resid 141 and name HN )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.986 ppm2 0.480 CV 1 ASSI { 1402} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.897 ppm2 1.251 CV 1 ASSI { 1406} (( segid " " and resid 62 and name HN )) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.204 ppm2 8.969 CV 1 ASSI { 1408} (( segid " " and resid 62 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 5.910 CV 1 ASSI { 1409} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 5.498 CV 1 ASSI { 1412} (( segid " " and resid 62 and name HN )) (( segid " " and resid 65 and name HA )) 6.000 4.500 0.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 4.589 CV 1 ASSI { 1413} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB2 )) 6.000 4.500 0.000 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 4.067 CV 1 OR { 1413} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB1 )) ASSI { 1415} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 3.820 CV 1 ASSI { 1417} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HG2 )) 6.000 4.500 0.000 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 1.917 CV 1 ASSI { 1421} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.210 ppm2 1.090 CV 1 ASSI { 1422} (( segid " " and resid 62 and name HN )) ( segid " " and resid 69 and name HD2%) 6.000 4.500 0.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 0.969 CV 1 OR { 1422} (( segid " " and resid 62 and name HN )) ( segid " " and resid 69 and name HD1%) ASSI { 1428} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HN )) 6.000 4.500 0.000 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.579 ppm2 9.071 CV 1 ASSI { 1429} (( segid " " and resid 157 and name HN )) (( segid " " and resid 41 and name HN )) 6.000 4.500 0.000 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.586 ppm2 8.931 CV 1 ASSI { 1431} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HD22)) 6.000 4.500 0.000 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.583 ppm2 7.706 CV 1 ASSI { 1434} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA )) 6.000 4.500 0.000 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.583 ppm2 4.846 CV 1 ASSI { 1435} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA )) 6.000 4.500 0.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.585 ppm2 4.461 CV 1 ASSI { 1436} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB1 )) 6.000 4.500 0.000 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.586 ppm2 2.866 CV 1 ASSI { 1437} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB2 )) 6.000 4.500 0.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.585 ppm2 2.766 CV 1 ASSI { 1438} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.584 ppm2 1.968 CV 1 ASSI { 1439} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HB1 )) 6.000 4.500 0.000 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.585 ppm2 1.765 CV 1 ASSI { 1440} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HG1 )) 6.000 4.500 0.000 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.584 ppm2 1.568 CV 1 ASSI { 1441} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HG2 )) 6.000 4.500 0.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.586 ppm2 1.183 CV 1 ASSI { 1448} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.170 ppm2 8.722 CV 1 ASSI { 1449} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HN )) 6.000 4.500 0.000 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.167 ppm2 7.810 CV 1 ASSI { 1450} (( segid " " and resid 69 and name HN )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.171 ppm2 7.210 CV 1 ASSI { 1452} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.168 ppm2 6.870 CV 1 ASSI { 1454} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HA )) 6.000 4.500 0.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.168 ppm2 3.357 CV 1 ASSI { 1455} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.167 ppm2 2.201 CV 1 ASSI { 1458} (( segid " " and resid 69 and name HN )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.170 ppm2 1.449 CV 1 ASSI { 1459} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.167 ppm2 1.298 CV 1 ASSI { 1460} (( segid " " and resid 69 and name HN )) ( segid " " and resid 64 and name HD1%) 6.000 4.500 0.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.165 ppm2 0.732 CV 1 OR { 1460} (( segid " " and resid 69 and name HN )) (( segid " " and resid 64 and name HG )) OR { 1460} (( segid " " and resid 69 and name HN )) ( segid " " and resid 64 and name HD2%) ASSI { 1461} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.165 ppm2 0.534 CV 1 ASSI { 1464} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.900 ppm2 7.753 CV 1 ASSI { 1465} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.905 ppm2 7.581 CV 1 ASSI { 1467} (( segid " " and resid 24 and name HN )) (( segid " " and resid 27 and name HN )) 6.000 4.500 0.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.905 ppm2 7.324 CV 1 ASSI { 1469} (( segid " " and resid 24 and name HN )) (( segid " " and resid 72 and name HB1 )) 6.000 4.500 0.000 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.904 ppm2 2.968 CV 1 ASSI { 1470} (( segid " " and resid 24 and name HN )) (( segid " " and resid 76 and name HG11)) 6.000 4.500 0.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.904 ppm2 2.103 CV 1 OR { 1470} (( segid " " and resid 24 and name HN )) (( segid " " and resid 76 and name HG12)) ASSI { 1471} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HD1 )) 6.000 4.500 0.000 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.903 ppm2 1.679 CV 1 ASSI { 1475} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.899 ppm2 4.179 CV 1 ASSI { 1478} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB2 )) 6.000 4.500 0.000 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.898 ppm2 1.947 CV 1 OR { 1478} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB1 )) ASSI { 1479} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HB% ) 6.000 4.500 0.000 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.898 ppm2 1.518 CV 1 ASSI { 1481} (( segid " " and resid 23 and name HN )) (( segid " " and resid 19 and name HA )) 6.000 4.500 0.000 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.757 ppm2 4.541 CV 1 ASSI { 1485} (( segid " " and resid 156 and name HN )) (( segid " " and resid 158 and name HA )) 6.000 4.500 0.000 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.088 ppm2 3.846 CV 1 ASSI { 1486} (( segid " " and resid 156 and name HN )) (( segid " " and resid 41 and name HN )) 6.000 4.500 0.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.080 ppm2 8.939 CV 1 ASSI { 1489} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HD22)) 6.000 4.500 0.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.079 ppm2 7.698 CV 1 ASSI { 1492} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HD21)) 6.000 4.500 0.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.079 ppm2 7.068 CV 1 ASSI { 1493} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 6.000 4.500 0.000 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.080 ppm2 4.842 CV 1 ASSI { 1495} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HA )) 6.000 4.500 0.000 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.079 ppm2 4.520 CV 1 ASSI { 1497} (( segid " " and resid 156 and name HN )) (( segid " " and resid 40 and name HB1 )) 6.000 4.500 0.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.076 ppm2 3.091 CV 1 ASSI { 1500} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) 6.000 4.500 0.000 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.080 ppm2 2.762 CV 1 ASSI { 1502} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB1 )) 6.000 4.500 0.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.079 ppm2 1.695 CV 1 ASSI { 1503} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB2 )) 6.000 4.500 0.000 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.077 ppm2 1.504 CV 1 ASSI { 1504} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HD2 )) 6.000 4.500 0.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.080 ppm2 1.386 CV 1 OR { 1504} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HD1 )) ASSI { 1506} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.078 ppm2 0.910 CV 1 ASSI { 1527} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 6.000 4.500 0.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.749 ppm2 1.946 CV 1 OR { 1527} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB1 )) ASSI { 1528} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HD1 )) 6.000 4.500 0.000 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.749 ppm2 1.687 CV 1 OR { 1528} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HD2 )) ASSI { 1532} (( segid " " and resid 23 and name HN )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.750 ppm2 0.856 CV 1 ASSI { 1533} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.726 ppm2 1.228 CV 1 ASSI { 1535} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HN )) 6.000 4.500 0.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 9.711 CV 1 ASSI { 1536} (( segid " " and resid 111 and name HN )) (( segid " " and resid 108 and name HN )) 6.000 4.500 0.000 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.606 ppm2 8.993 CV 1 ASSI { 1537} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HN )) 6.000 4.500 0.000 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.602 ppm2 8.866 CV 1 ASSI { 1538} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HN )) 6.000 4.500 0.000 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 7.936 CV 1 ASSI { 1544} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HA )) 6.000 4.500 0.000 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.608 ppm2 4.031 CV 1 ASSI { 1545} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 6.000 4.500 0.000 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 3.891 CV 1 ASSI { 1546} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HB1 )) 6.000 4.500 0.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 2.035 CV 1 ASSI { 1547} (( segid " " and resid 111 and name HN )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.601 ppm2 1.764 CV 1 ASSI { 1548} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB2 )) 6.000 4.500 0.000 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.601 ppm2 1.641 CV 1 ASSI { 1549} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.603 ppm2 1.320 CV 1 ASSI { 1550} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG )) 6.000 4.500 0.000 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 1.018 CV 1 ASSI { 1551} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.603 ppm2 0.899 CV 1 ASSI { 1552} (( segid " " and resid 111 and name HN )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 0.333 CV 1 ASSI { 1553} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 6.000 4.500 0.000 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.600 ppm2 4.218 CV 1 ASSI { 1565} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HN )) 6.000 4.500 0.000 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.513 ppm2 7.624 CV 1 ASSI { 1566} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HE21)) 6.000 4.500 0.000 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.523 ppm2 7.106 CV 1 ASSI { 1569} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB2 )) 6.000 4.500 0.000 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.513 ppm2 2.744 CV 1 ASSI { 1570} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB1 )) 6.000 4.500 0.000 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.512 ppm2 2.621 CV 1 ASSI { 1571} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 6.000 4.500 0.000 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.511 ppm2 4.600 CV 1 ASSI { 1576} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 6.000 4.500 0.000 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.185 ppm2 8.329 CV 1 ASSI { 1577} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 6.000 4.500 0.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.186 ppm2 4.667 CV 1 ASSI { 1578} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.184 ppm2 4.248 CV 1 ASSI { 1579} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HG1 )) 6.000 4.500 0.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.181 ppm2 2.527 CV 1 ASSI { 1581} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB1 )) 6.000 4.500 0.000 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.184 ppm2 2.375 CV 1 ASSI { 1582} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.183 ppm2 2.160 CV 1 ASSI { 1583} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB )) 6.000 4.500 0.000 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.183 ppm2 2.002 CV 1 ASSI { 1584} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.184 ppm2 1.022 CV 1 OR { 1584} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG1%) ASSI { 1589} (( segid " " and resid 111 and name HN )) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.603 ppm2 5.498 CV 1 ASSI { 1590} (( segid " " and resid 111 and name HN )) (( segid " " and resid 108 and name HB )) 6.000 4.500 0.000 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.606 ppm2 4.661 CV 1 ASSI { 1592} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) 6.000 4.500 0.000 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.828 ppm2 2.248 CV 1 ASSI { 1593} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 6.000 4.500 0.000 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.821 ppm2 4.579 CV 1 ASSI { 1616} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HD2 )) 6.000 4.500 0.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.189 ppm2 3.995 CV 1 OR { 1616} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HD1 )) ASSI { 1619} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 6.000 4.500 0.000 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.551 ppm2 8.072 CV 1 ASSI { 1624} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 6.000 4.500 0.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.551 ppm2 3.835 CV 1 ASSI { 1626} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HG1 )) 6.000 4.500 0.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.552 ppm2 3.299 CV 1 ASSI { 1628} (( segid " " and resid 151 and name HN )) (( segid " " and resid 122 and name HA1 )) 6.000 4.500 0.000 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.554 ppm2 2.815 CV 1 ASSI { 1629} (( segid " " and resid 118 and name HN )) (( segid " " and resid 121 and name HD2 )) 6.000 4.500 0.000 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 2.450 CV 1 ASSI { 1630} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.550 ppm2 2.154 CV 1 ASSI { 1631} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.552 ppm2 1.965 CV 1 ASSI { 1640} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HE22)) 6.000 4.500 0.000 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.517 ppm2 7.940 CV 1 ASSI { 1647} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 7.848 CV 1 ASSI { 1648} (( segid " " and resid 151 and name HN )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.554 ppm2 7.410 CV 1 ASSI { 1649} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HN )) 6.000 4.500 0.000 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 7.250 CV 1 ASSI { 1651} (( segid " " and resid 151 and name HN )) (( segid " " and resid 148 and name HD2 )) 6.000 4.500 0.000 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 6.998 CV 1 ASSI { 1654} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HA )) 6.000 4.500 0.000 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.559 ppm2 4.588 CV 1 ASSI { 1655} (( segid " " and resid 151 and name HN )) (( segid " " and resid 148 and name HA )) 6.000 4.500 0.000 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.556 ppm2 4.468 CV 1 ASSI { 1656} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 6.000 4.500 0.000 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.554 ppm2 4.096 CV 1 ASSI { 1658} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.549 ppm2 3.426 CV 1 ASSI { 1659} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HD1 )) 6.000 4.500 0.000 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.554 ppm2 3.106 CV 1 ASSI { 1661} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HG1 )) 6.000 4.500 0.000 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.554 ppm2 1.449 CV 1 ASSI { 1662} (( segid " " and resid 151 and name HN )) ( segid " " and resid 151 and name HB% ) 6.000 4.500 0.000 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.554 ppm2 1.212 CV 1 ASSI { 1663} (( segid " " and resid 151 and name HN )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 1.067 CV 1 ASSI { 1664} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 6.000 4.500 0.000 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 0.917 CV 1 ASSI { 1673} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 6.000 4.500 0.000 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.302 ppm2 1.248 CV 1 OR { 1673} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 1674} (( segid " " and resid 11 and name HN )) (( segid " " and resid 14 and name HA )) 6.000 4.500 0.000 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.298 ppm2 4.270 CV 1 ASSI { 1675} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.297 ppm2 0.906 CV 1 ASSI { 1677} (( segid " " and resid 129 and name HN )) (( segid " " and resid 132 and name HN )) 6.000 4.500 0.000 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.632 ppm2 8.296 CV 1 ASSI { 1678} (( segid " " and resid 129 and name HN )) (( segid " " and resid 126 and name HE3 )) 6.000 4.500 0.000 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.638 ppm2 7.807 CV 1 ASSI { 1679} (( segid " " and resid 129 and name HN )) (( segid " " and resid 130 and name HN )) 6.000 4.500 0.000 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.631 ppm2 7.605 CV 1 ASSI { 1680} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.634 ppm2 7.209 CV 1 ASSI { 1681} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HN )) 6.000 4.500 0.000 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.632 ppm2 6.517 CV 1 ASSI { 1683} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 6.000 4.500 0.000 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.634 ppm2 3.860 CV 1 ASSI { 1684} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 6.000 4.500 0.000 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.633 ppm2 3.172 CV 1 ASSI { 1685} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.631 ppm2 2.901 CV 1 ASSI { 1688} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.635 ppm2 0.288 CV 1 ASSI { 1691} (( segid " " and resid 129 and name HN )) (( segid " " and resid 38 and name HB1 )) 6.000 4.500 0.000 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.626 ppm2 3.627 CV 1 ASSI { 1695} (( segid " " and resid 4 and name HN )) (( segid " " and resid 113 and name HA )) 6.000 4.500 0.000 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.613 ppm2 4.320 CV 1 ASSI { 1697} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 6.000 4.500 0.000 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.516 ppm2 4.430 CV 1 ASSI { 1699} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA1 )) 6.000 4.500 0.000 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.517 ppm2 3.871 CV 1 ASSI { 1700} (( segid " " and resid 48 and name HN )) (( segid " " and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.517 ppm2 3.742 CV 1 ASSI { 1701} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG1 )) 6.000 4.500 0.000 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.515 ppm2 2.417 CV 1 OR { 1701} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG2 )) ASSI { 1702} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB1 )) 6.000 4.500 0.000 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.515 ppm2 2.259 CV 1 ASSI { 1704} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HE21)) 6.000 4.500 0.000 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.507 ppm2 6.879 CV 1 ASSI { 1705} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HD2 )) 6.000 4.500 0.000 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.511 ppm2 3.677 CV 1 OR { 1705} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HD1 )) ASSI { 1716} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 6.000 4.500 0.000 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.621 ppm2 4.706 CV 1 ASSI { 1717} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 6.000 4.500 0.000 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.619 ppm2 4.608 CV 1 ASSI { 1718} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HA )) 6.000 4.500 0.000 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.616 ppm2 4.462 CV 1 ASSI { 1720} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HD1 )) 6.000 4.500 0.000 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.625 ppm2 3.549 CV 1 ASSI { 1721} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB2 )) 6.000 4.500 0.000 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.617 ppm2 2.739 CV 1 ASSI { 1722} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB1 )) 6.000 4.500 0.000 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 2.628 CV 1 ASSI { 1723} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG1 )) 6.000 4.500 0.000 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.619 ppm2 2.301 CV 1 OR { 1723} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG2 )) ASSI { 1724} (( segid " " and resid 50 and name HN )) (( segid " " and resid 44 and name HB2 )) 6.000 4.500 0.000 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.623 ppm2 2.181 CV 1 ASSI { 1726} (( segid " " and resid 50 and name HN )) (( segid " " and resid 44 and name HG2 )) 6.000 4.500 0.000 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 1.916 CV 1 ASSI { 1727} (( segid " " and resid 50 and name HN )) (( segid " " and resid 91 and name HB1 )) 6.000 4.500 0.000 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.622 ppm2 1.837 CV 1 ASSI { 1733} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HN )) 6.000 4.500 0.000 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.874 ppm2 9.013 CV 1 ASSI { 1734} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HN )) 6.000 4.500 0.000 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.871 ppm2 7.932 CV 1 ASSI { 1736} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 6.000 4.500 0.000 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.874 ppm2 4.822 CV 1 ASSI { 1737} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB )) 6.000 4.500 0.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.872 ppm2 4.667 CV 1 ASSI { 1739} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 6.000 4.500 0.000 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.874 ppm2 4.018 CV 1 ASSI { 1740} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB1 )) 6.000 4.500 0.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.866 ppm2 1.355 CV 1 ASSI { 1743} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HD1%) 6.000 4.500 0.000 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.623 ppm2 0.571 CV 1 OR { 1743} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HD2%) ASSI { 1744} (( segid " " and resid 4 and name HN )) (( segid " " and resid 102 and name HN )) 6.000 4.500 0.000 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.607 ppm2 8.387 CV 1 ASSI { 1745} (( segid " " and resid 4 and name HN )) (( segid " " and resid 100 and name HN )) 6.000 4.500 0.000 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.608 ppm2 7.504 CV 1 ASSI { 1746} (( segid " " and resid 129 and name HN )) (( segid " " and resid 131 and name HN )) 6.000 4.500 0.000 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.610 ppm2 6.937 CV 1 ASSI { 1747} (( segid " " and resid 4 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.614 ppm2 4.815 CV 1 ASSI { 1748} (( segid " " and resid 4 and name HN )) (( segid " " and resid 101 and name HA )) 6.000 4.500 0.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.608 ppm2 4.538 CV 1 ASSI { 1756} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 6.000 4.500 0.000 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 9.540 CV 1 ASSI { 1758} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 6.830 CV 1 ASSI { 1760} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 6.000 4.500 0.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.602 ppm2 4.964 CV 1 ASSI { 1761} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 6.000 4.500 0.000 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.603 ppm2 2.731 CV 1 OR { 1761} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 1765} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.849 ppm2 8.298 CV 1 ASSI { 1768} (( segid " " and resid 150 and name HN )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.848 ppm2 7.413 CV 1 ASSI { 1769} (( segid " " and resid 150 and name HN )) (( segid " " and resid 152 and name HN )) 6.000 4.500 0.000 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.852 ppm2 7.241 CV 1 ASSI { 1773} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD1 )) 6.000 4.500 0.000 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.853 ppm2 3.114 CV 1 ASSI { 1774} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD2 )) 6.000 4.500 0.000 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.851 ppm2 2.951 CV 1 ASSI { 1779} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB )) 6.000 4.500 0.000 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.846 ppm2 4.183 CV 1 ASSI { 1781} (( segid " " and resid 150 and name HN )) (( segid " " and resid 119 and name HB1 )) 6.000 4.500 0.000 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.848 ppm2 1.459 CV 1 ASSI { 1782} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) 6.000 4.500 0.000 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.847 ppm2 0.919 CV 1 ASSI { 1784} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.812 ppm2 9.276 CV 1 ASSI { 1785} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.810 ppm2 8.736 CV 1 ASSI { 1788} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.813 ppm2 6.881 CV 1 ASSI { 1789} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 6.000 4.500 0.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.813 ppm2 4.551 CV 1 ASSI { 1791} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HG2 )) 6.000 4.500 0.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.812 ppm2 2.378 CV 1 ASSI { 1793} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.811 ppm2 1.842 CV 1 ASSI { 1797} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.813 ppm2 0.706 CV 1 ASSI { 1798} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.812 ppm2 0.470 CV 1 ASSI { 1801} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.809 ppm2 7.683 CV 1 ASSI { 1802} (( segid " " and resid 70 and name HN )) (( segid " " and resid 74 and name HN )) 6.000 4.500 0.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.791 ppm2 8.877 CV 1 ASSI { 1804} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 4.244 CV 1 ASSI { 1806} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.043 ppm2 1.961 CV 1 ASSI { 1808} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) 6.000 4.500 0.000 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.038 ppm2 4.289 CV 1 ASSI { 1817} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 6.000 4.500 0.000 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.871 ppm2 2.031 CV 1 OR { 1817} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB1 )) ASSI { 1818} (( segid " " and resid 109 and name HN )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.872 ppm2 1.202 CV 1 ASSI { 1819} (( segid " " and resid 4 and name HN )) (( segid " " and resid 98 and name HA )) 6.000 4.500 0.000 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.606 ppm2 4.177 CV 1 ASSI { 1821} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.603 ppm2 5.609 CV 1 ASSI { 1822} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB2 )) 6.000 4.500 0.000 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.843 ppm2 3.243 CV 1 ASSI { 1823} (( segid " " and resid 70 and name HN )) (( segid " " and resid 66 and name HA )) 6.000 4.500 0.000 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.814 ppm2 3.338 CV 1 ASSI { 1828} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 6.000 4.500 0.000 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.035 ppm2 9.299 CV 1 ASSI { 1829} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HN )) 6.000 4.500 0.000 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.040 ppm2 8.065 CV 1 ASSI { 1830} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HN )) 6.000 4.500 0.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 7.504 CV 1 ASSI { 1831} (( segid " " and resid 121 and name HN )) (( segid " " and resid 152 and name HN )) 6.000 4.500 0.000 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 7.274 CV 1 ASSI { 1835} (( segid " " and resid 121 and name HN )) (( segid " " and resid 124 and name HN )) 6.000 4.500 0.000 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 6.500 CV 1 ASSI { 1836} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 6.000 4.500 0.000 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 5.016 CV 1 ASSI { 1837} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.040 ppm2 3.001 CV 1 ASSI { 1839} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HG1 )) 6.000 4.500 0.000 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 1.394 CV 1 ASSI { 1843} (( segid " " and resid 121 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 0.338 CV 1 ASSI { 1844} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 6.000 4.500 0.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 -0.393 CV 1 ASSI { 1846} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.311 ppm2 4.063 CV 1 ASSI { 1850} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HD22)) 6.000 4.500 0.000 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.429 ppm2 6.843 CV 1 ASSI { 1858} (( segid " " and resid 52 and name HN )) (( segid " " and resid 43 and name HA )) 6.000 4.500 0.000 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.995 ppm2 5.099 CV 1 ASSI { 1859} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 6.000 4.500 0.000 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.995 ppm2 4.442 CV 1 ASSI { 1860} (( segid " " and resid 52 and name HN )) (( segid " " and resid 14 and name HD1 )) 6.000 4.500 0.000 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.999 ppm2 3.979 CV 1 OR { 1860} (( segid " " and resid 52 and name HN )) (( segid " " and resid 14 and name HD2 )) ASSI { 1861} (( segid " " and resid 52 and name HN )) (( segid " " and resid 44 and name HD1 )) 6.000 4.500 0.000 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.995 ppm2 3.941 CV 1 ASSI { 1863} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) 6.000 4.500 0.000 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.997 ppm2 2.727 CV 1 ASSI { 1864} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 6.000 4.500 0.000 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.996 ppm2 2.352 CV 1 ASSI { 1865} (( segid " " and resid 52 and name HN )) (( segid " " and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.998 ppm2 2.198 CV 1 OR { 1865} (( segid " " and resid 52 and name HN )) (( segid " " and resid 44 and name HB2 )) ASSI { 1867} (( segid " " and resid 52 and name HN )) (( segid " " and resid 44 and name HG2 )) 6.000 4.500 0.000 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.998 ppm2 1.912 CV 1 ASSI { 1870} (( segid " " and resid 52 and name HN )) (( segid " " and resid 41 and name HG1 )) 6.000 4.500 0.000 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.987 ppm2 1.150 CV 1 ASSI { 1874} (( segid " " and resid 72 and name HN )) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.736 ppm2 3.669 CV 1 ASSI { 1875} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HG1 )) 6.000 4.500 0.000 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.732 ppm2 2.398 CV 1 ASSI { 1877} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.727 ppm2 9.288 CV 1 ASSI { 1878} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HN )) 6.000 4.500 0.000 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.728 ppm2 8.889 CV 1 ASSI { 1879} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HD22)) 6.000 4.500 0.000 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.728 ppm2 7.405 CV 1 ASSI { 1881} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HA )) 6.000 4.500 0.000 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.727 ppm2 4.524 CV 1 ASSI { 1883} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HA )) 6.000 4.500 0.000 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.725 ppm2 4.171 CV 1 ASSI { 1886} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.730 ppm2 3.427 CV 1 ASSI { 1887} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 6.000 4.500 0.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.728 ppm2 2.957 CV 1 ASSI { 1889} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.729 ppm2 2.591 CV 1 ASSI { 1892} (( segid " " and resid 72 and name HN )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.726 ppm2 1.042 CV 1 ASSI { 1895} (( segid " " and resid 72 and name HN )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.729 ppm2 0.603 CV 1 ASSI { 1900} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HA )) 6.000 4.500 0.000 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.314 ppm2 4.279 CV 1 ASSI { 1909} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.425 ppm2 7.387 CV 1 ASSI { 1910} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 6.000 4.500 0.000 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.431 ppm2 4.565 CV 1 ASSI { 1911} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 6.000 4.500 0.000 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.429 ppm2 4.086 CV 1 ASSI { 1912} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.428 ppm2 3.474 CV 1 ASSI { 1913} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 6.000 4.500 0.000 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.428 ppm2 3.335 CV 1 ASSI { 1914} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) 6.000 4.500 0.000 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.431 ppm2 2.881 CV 1 ASSI { 1915} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 6.000 4.500 0.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.429 ppm2 2.674 CV 1 ASSI { 1916} (( segid " " and resid 19 and name HN )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.426 ppm2 2.091 CV 1 ASSI { 1917} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB )) 6.000 4.500 0.000 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.429 ppm2 1.586 CV 1 ASSI { 1918} (( segid " " and resid 19 and name HN )) ( segid " " and resid 20 and name HB% ) 6.000 4.500 0.000 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.430 ppm2 1.533 CV 1 ASSI { 1919} (( segid " " and resid 19 and name HN )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.423 ppm2 1.096 CV 1 ASSI { 1920} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.429 ppm2 0.649 CV 1 ASSI { 1921} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.430 ppm2 0.309 CV 1 ASSI { 1924} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 6.000 4.500 0.000 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.300 ppm2 3.700 CV 1 ASSI { 1925} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG2 )) 6.000 4.500 0.000 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.294 ppm2 2.845 CV 1 ASSI { 1926} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG1 )) 6.000 4.500 0.000 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.297 ppm2 2.034 CV 1 ASSI { 1928} (( segid " " and resid 77 and name HN )) (( segid " " and resid 94 and name HB1 )) 6.000 4.500 0.000 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.299 ppm2 1.723 CV 1 ASSI { 1930} (( segid " " and resid 77 and name HN )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.299 ppm2 0.845 CV 1 ASSI { 1931} (( segid " " and resid 77 and name HN )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.297 ppm2 0.756 CV 1 OR { 1931} (( segid " " and resid 77 and name HN )) ( segid " " and resid 94 and name HD1%) OR { 1931} (( segid " " and resid 77 and name HN )) (( segid " " and resid 94 and name HG )) ASSI { 1934} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 6.000 4.500 0.000 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.289 ppm2 2.588 CV 1 ASSI { 1935} (( segid " " and resid 77 and name HN )) ( segid " " and resid 20 and name HB% ) 6.000 4.500 0.000 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.289 ppm2 1.558 CV 1 ASSI { 1936} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 6.000 4.500 0.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.999 ppm2 8.735 CV 1 ASSI { 1940} (( segid " " and resid 52 and name HN )) (( segid " " and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.997 ppm2 3.749 CV 1 ASSI { 1941} (( segid " " and resid 52 and name HN )) (( segid " " and resid 41 and name HG2 )) 6.000 4.500 0.000 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.997 ppm2 1.518 CV 1 ASSI { 1946} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HN )) 6.000 4.500 0.000 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.322 ppm2 9.010 CV 1 ASSI { 1948} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 7.577 CV 1 ASSI { 1951} (( segid " " and resid 27 and name HN )) (( segid " " and resid 32 and name HD2 )) 6.000 4.500 0.000 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.320 ppm2 6.987 CV 1 ASSI { 1953} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 6.000 4.500 0.000 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 4.918 CV 1 ASSI { 1954} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 4.183 CV 1 ASSI { 1957} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB1 )) 6.000 4.500 0.000 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 2.913 CV 1 ASSI { 1959} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 6.000 4.500 0.000 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 2.572 CV 1 ASSI { 1961} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HG12)) 6.000 4.500 0.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 2.087 CV 1 OR { 1961} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HG11)) ASSI { 1964} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.320 ppm2 1.249 CV 1 ASSI { 1968} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HB2 )) 6.000 4.500 0.000 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.619 ppm2 2.317 CV 1 OR { 1968} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HB1 )) ASSI { 1970} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.613 ppm2 8.294 CV 1 ASSI { 1971} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.611 ppm2 7.633 CV 1 ASSI { 1973} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HA )) 6.000 4.500 0.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.610 ppm2 3.748 CV 1 ASSI { 1974} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG2 )) 6.000 4.500 0.000 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.615 ppm2 2.616 CV 1 ASSI { 1975} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG1 )) 6.000 4.500 0.000 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.613 ppm2 2.466 CV 1 ASSI { 1976} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) 6.000 4.500 0.000 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.611 ppm2 2.179 CV 1 ASSI { 1977} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG )) 6.000 4.500 0.000 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.607 ppm2 1.733 CV 1 ASSI { 1981} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HN )) 6.000 4.500 0.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.568 ppm2 8.199 CV 1 ASSI { 1982} (( segid " " and resid 22 and name HN )) (( segid " " and resid 19 and name HA )) 6.000 4.500 0.000 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.565 ppm2 4.564 CV 1 ASSI { 1986} (( segid " " and resid 22 and name HN )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.565 ppm2 0.691 CV 1 ASSI { 1988} (( segid " " and resid 22 and name HN )) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.558 ppm2 7.885 CV 1 ASSI { 1989} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.563 ppm2 7.747 CV 1 ASSI { 1991} (( segid " " and resid 22 and name HN )) (( segid " " and resid 18 and name HA )) 6.000 4.500 0.000 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.564 ppm2 3.336 CV 1 ASSI { 1992} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.564 ppm2 2.084 CV 1 ASSI { 1993} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG )) 6.000 4.500 0.000 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.564 ppm2 1.842 CV 1 ASSI { 1994} (( segid " " and resid 22 and name HN )) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.562 ppm2 1.230 CV 1 ASSI { 1995} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.563 ppm2 1.093 CV 1 ASSI { 1997} (( segid " " and resid 22 and name HN )) (( segid " " and resid 19 and name HB1 )) 6.000 4.500 0.000 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 2.900 CV 1 ASSI { 2005} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.419 ppm2 4.195 CV 1 ASSI { 2018} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.876 ppm2 8.723 CV 1 ASSI { 2023} (( segid " " and resid 68 and name HN )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.882 ppm2 7.210 CV 1 ASSI { 2025} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 6.000 4.500 0.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.875 ppm2 4.320 CV 1 ASSI { 2026} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HA )) 6.000 4.500 0.000 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.874 ppm2 4.188 CV 1 ASSI { 2027} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.873 ppm2 3.630 CV 1 ASSI { 2028} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA )) 6.000 4.500 0.000 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.876 ppm2 3.355 CV 1 ASSI { 2029} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG2 )) 6.000 4.500 0.000 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.874 ppm2 2.394 CV 1 OR { 2029} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG1 )) ASSI { 2031} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) 6.000 4.500 0.000 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.876 ppm2 1.834 CV 1 OR { 2031} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 2033} (( segid " " and resid 68 and name HN )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.875 ppm2 1.439 CV 1 ASSI { 2034} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.876 ppm2 1.298 CV 1 ASSI { 2039} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HD22)) 6.000 4.500 0.000 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.867 ppm2 7.444 CV 1 ASSI { 2043} (( segid " " and resid 22 and name HN )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.560 ppm2 8.312 CV 1 ASSI { 2050} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 6.000 4.500 0.000 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.332 ppm2 5.174 CV 1 ASSI { 2052} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HA )) 6.000 4.500 0.000 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.331 ppm2 4.679 CV 1 ASSI { 2053} (( segid " " and resid 104 and name HN )) (( segid " " and resid 138 and name HA )) 6.000 4.500 0.000 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.337 ppm2 4.482 CV 1 ASSI { 2054} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.332 ppm2 4.246 CV 1 ASSI { 2055} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HA1 )) 6.000 4.500 0.000 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.332 ppm2 3.863 CV 1 ASSI { 2056} (( segid " " and resid 104 and name HN )) (( segid " " and resid 101 and name HB1 )) 6.000 4.500 0.000 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.335 ppm2 3.303 CV 1 ASSI { 2057} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB1 )) 6.000 4.500 0.000 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.333 ppm2 2.990 CV 1 ASSI { 2058} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG1 )) 6.000 4.500 0.000 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.332 ppm2 2.511 CV 1 ASSI { 2059} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB1 )) 6.000 4.500 0.000 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.332 ppm2 2.380 CV 1 ASSI { 2060} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.331 ppm2 2.167 CV 1 ASSI { 2068} (( segid " " and resid 68 and name HN )) (( segid " " and resid 65 and name HA )) 6.000 4.500 0.000 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.879 ppm2 4.594 CV 1 ASSI { 2069} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.877 ppm2 0.537 CV 1 ASSI { 2076} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB2 )) 6.000 4.500 0.000 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.739 ppm2 0.918 CV 1 ASSI { 2077} (( segid " " and resid 53 and name HN )) (( segid " " and resid 42 and name HN )) 6.000 4.500 0.000 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.730 ppm2 9.606 CV 1 ASSI { 2080} (( segid " " and resid 53 and name HN )) (( segid " " and resid 43 and name HA )) 6.000 4.500 0.000 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.728 ppm2 5.105 CV 1 ASSI { 2083} (( segid " " and resid 53 and name HN )) (( segid " " and resid 42 and name HB )) 6.000 4.500 0.000 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.728 ppm2 4.165 CV 1 ASSI { 2084} (( segid " " and resid 53 and name HN )) (( segid " " and resid 44 and name HD1 )) 6.000 4.500 0.000 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.733 ppm2 3.952 CV 1 ASSI { 2085} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 6.000 4.500 0.000 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.731 ppm2 2.743 CV 1 ASSI { 2087} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 6.000 4.500 0.000 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.731 ppm2 2.442 CV 1 ASSI { 2097} (( segid " " and resid 53 and name HN )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 1.245 CV 1 ASSI { 2111} (( segid " " and resid 58 and name HN )) (( segid " " and resid 5 and name HN )) 6.000 4.500 0.000 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 9.511 CV 1 ASSI { 2114} (( segid " " and resid 58 and name HN )) (( segid " " and resid 7 and name HN )) 6.000 4.500 0.000 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.153 ppm2 8.820 CV 1 ASSI { 2115} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.156 ppm2 8.602 CV 1 ASSI { 2116} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.154 ppm2 5.659 CV 1 ASSI { 2117} (( segid " " and resid 58 and name HN )) (( segid " " and resid 6 and name HA )) 6.000 4.500 0.000 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 5.044 CV 1 ASSI { 2119} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.162 ppm2 4.820 CV 1 ASSI { 2124} (( segid " " and resid 58 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 1.343 CV 1 ASSI { 2127} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 0.971 CV 1 OR { 2127} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 2130} (( segid " " and resid 58 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.156 ppm2 0.274 CV 1 ASSI { 2131} (( segid " " and resid 58 and name HN )) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.144 ppm2 9.300 CV 1 ASSI { 2134} (( segid " " and resid 87 and name HN )) (( segid " " and resid 84 and name HB2 )) 6.000 4.500 0.000 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.464 ppm2 1.280 CV 1 ASSI { 2140} (( segid " " and resid 152 and name HN )) (( segid " " and resid 148 and name HD2 )) 6.000 4.500 0.000 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.255 ppm2 6.989 CV 1 ASSI { 2142} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 6.000 4.500 0.000 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.255 ppm2 4.633 CV 1 ASSI { 2143} (( segid " " and resid 152 and name HN )) (( segid " " and resid 148 and name HA )) 6.000 4.500 0.000 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.258 ppm2 4.459 CV 1 ASSI { 2146} (( segid " " and resid 152 and name HN )) (( segid " " and resid 147 and name HA )) 6.000 4.500 0.000 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.256 ppm2 3.683 CV 1 ASSI { 2147} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB1 )) 6.000 4.500 0.000 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.255 ppm2 2.701 CV 1 ASSI { 2148} (( segid " " and resid 152 and name HN )) ( segid " " and resid 151 and name HB% ) 6.000 4.500 0.000 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.255 ppm2 1.214 CV 1 ASSI { 2149} (( segid " " and resid 152 and name HN )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.256 ppm2 0.929 CV 1 ASSI { 2156} (( segid " " and resid 124 and name HN )) (( segid " " and resid 122 and name HA1 )) 6.000 4.500 0.000 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.507 ppm2 2.790 CV 1 ASSI { 2157} (( segid " " and resid 124 and name HN )) (( segid " " and resid 126 and name HN )) 6.000 4.500 0.000 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.497 ppm2 8.737 CV 1 ASSI { 2158} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HN )) 6.000 4.500 0.000 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.502 ppm2 7.481 CV 1 ASSI { 2160} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HN )) 6.000 4.500 0.000 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.499 ppm2 7.037 CV 1 ASSI { 2161} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 6.000 4.500 0.000 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.502 ppm2 4.386 CV 1 ASSI { 2162} (( segid " " and resid 124 and name HN )) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.501 ppm2 4.064 CV 1 ASSI { 2164} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB1 )) 6.000 4.500 0.000 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.496 ppm2 2.893 CV 1 ASSI { 2173} (( segid " " and resid 124 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.489 ppm2 -0.539 CV 1 ASSI { 2174} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.479 ppm2 0.345 CV 1 ASSI { 2177} (( segid " " and resid 126 and name HN )) (( segid " " and resid 129 and name HN )) 6.000 4.500 0.000 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.735 ppm2 8.602 CV 1 ASSI { 2178} (( segid " " and resid 126 and name HN )) (( segid " " and resid 122 and name HA1 )) 6.000 4.500 0.000 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.735 ppm2 2.821 CV 1 ASSI { 2179} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.736 ppm2 0.338 CV 1 ASSI { 2180} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) 6.000 4.500 0.000 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.731 ppm2 7.474 CV 1 ASSI { 2186} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 6.000 4.500 0.000 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.730 ppm2 4.764 CV 1 ASSI { 2189} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 6.000 4.500 0.000 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.728 ppm2 3.832 CV 1 ASSI { 2191} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.730 ppm2 2.977 CV 1 ASSI { 2192} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HG2 )) 6.000 4.500 0.000 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.728 ppm2 2.021 CV 1 ASSI { 2195} (( segid " " and resid 126 and name HN )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.727 ppm2 1.589 CV 1 ASSI { 2196} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.730 ppm2 1.447 CV 1 ASSI { 2201} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.732 ppm2 0.450 CV 1 ASSI { 2202} (( segid " " and resid 126 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.732 ppm2 -0.550 CV 1 ASSI { 2203} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.720 ppm2 6.778 CV 1 ASSI { 2204} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB1 )) 6.000 4.500 0.000 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.460 ppm2 2.011 CV 1 ASSI { 2206} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 6.000 4.500 0.000 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.455 ppm2 4.065 CV 1 ASSI { 2207} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HG2 )) 6.000 4.500 0.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.452 ppm2 2.209 CV 1 OR { 2207} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HG1 )) ASSI { 2208} (( segid " " and resid 87 and name HN )) ( segid " " and resid 86 and name HB% ) 6.000 4.500 0.000 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.457 ppm2 1.418 CV 1 ASSI { 2213} (( segid " " and resid 152 and name HN )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.255 ppm2 7.401 CV 1 ASSI { 2217} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.255 ppm2 3.392 CV 1 ASSI { 2219} (( segid " " and resid 152 and name HN )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.255 ppm2 1.075 CV 1 ASSI { 2220} (( segid " " and resid 152 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.257 ppm2 -0.549 CV 1 ASSI { 2226} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) 6.000 4.500 0.000 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.497 ppm2 2.115 CV 1 OR { 2226} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB1 )) ASSI { 2227} (( segid " " and resid 124 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.501 ppm2 0.461 CV 1 ASSI { 2229} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA1 )) 6.000 4.500 0.000 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 5.738 CV 1 ASSI { 2230} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.544 ppm2 3.765 CV 1 ASSI { 2231} (( segid " " and resid 9 and name HN )) (( segid " " and resid 55 and name HB1 )) 6.000 4.500 0.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.544 ppm2 3.144 CV 1 ASSI { 2233} (( segid " " and resid 9 and name HN )) (( segid " " and resid 54 and name HN )) 6.000 4.500 0.000 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.533 ppm2 8.701 CV 1 ASSI { 2239} (( segid " " and resid 71 and name HN )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.687 ppm2 6.891 CV 1 ASSI { 2243} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HN )) 6.000 4.500 0.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.618 ppm2 6.914 CV 1 ASSI { 2245} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) 6.000 4.500 0.000 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.621 ppm2 4.054 CV 1 ASSI { 2246} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB2 )) 6.000 4.500 0.000 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.619 ppm2 3.157 CV 1 ASSI { 2247} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.618 ppm2 2.621 CV 1 ASSI { 2248} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.617 ppm2 2.283 CV 1 OR { 2248} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HG2 )) ASSI { 2251} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB2 )) 6.000 4.500 0.000 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 1.552 CV 1 ASSI { 2254} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HA )) 6.000 4.500 0.000 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.435 ppm2 4.454 CV 1 ASSI { 2257} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 6.000 4.500 0.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.541 ppm2 8.786 CV 1 ASSI { 2261} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.686 ppm2 9.284 CV 1 ASSI { 2262} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.685 ppm2 8.164 CV 1 ASSI { 2265} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HD22)) 6.000 4.500 0.000 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.685 ppm2 7.430 CV 1 ASSI { 2269} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 6.000 4.500 0.000 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.686 ppm2 4.557 CV 1 ASSI { 2272} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.684 ppm2 3.395 CV 1 ASSI { 2273} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 6.000 4.500 0.000 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.687 ppm2 3.057 CV 1 ASSI { 2274} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.686 ppm2 2.595 CV 1 ASSI { 2277} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.686 ppm2 1.852 CV 1 ASSI { 2279} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.688 ppm2 1.313 CV 1 ASSI { 2282} (( segid " " and resid 71 and name HN )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.685 ppm2 0.464 CV 1 ASSI { 2287} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HN )) 6.000 4.500 0.000 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.618 ppm2 6.531 CV 1 ASSI { 2290} (( segid " " and resid 130 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.619 ppm2 1.325 CV 1 ASSI { 2293} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.611 ppm2 2.904 CV 1 ASSI { 2294} (( segid " " and resid 130 and name HN )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.612 ppm2 0.964 CV 1 ASSI { 2295} (( segid " " and resid 147 and name HN )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.435 ppm2 8.307 CV 1 ASSI { 2301} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 6.730 CV 1 ASSI { 2302} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.426 ppm2 4.234 CV 1 ASSI { 2304} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 6.000 4.500 0.000 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.430 ppm2 3.671 CV 1 ASSI { 2305} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 3.522 CV 1 ASSI { 2307} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HB1 )) 6.000 4.500 0.000 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.430 ppm2 3.183 CV 1 ASSI { 2308} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HG2 )) 6.000 4.500 0.000 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.423 ppm2 2.473 CV 1 OR { 2308} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HG1 )) ASSI { 2309} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HB1 )) 6.000 4.500 0.000 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.423 ppm2 2.254 CV 1 ASSI { 2310} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.428 ppm2 1.798 CV 1 ASSI { 2311} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.430 ppm2 1.572 CV 1 ASSI { 2313} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.428 ppm2 1.092 CV 1 ASSI { 2314} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG )) 6.000 4.500 0.000 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 0.892 CV 1 ASSI { 2315} (( segid " " and resid 147 and name HN )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 0.721 CV 1 ASSI { 2317} (( segid " " and resid 147 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.427 ppm2 0.338 CV 1 ASSI { 2319} (( segid " " and resid 147 and name HN )) ( segid " " and resid 147 and name HD1%) 6.000 4.500 0.000 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 -0.492 CV 1 ASSI { 2320} (( segid " " and resid 147 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 -0.535 CV 1 ASSI { 2326} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 4.250 CV 1 ASSI { 2327} (( segid " " and resid 144 and name HN )) ( segid " " and resid 147 and name HD1%) 6.000 4.500 0.000 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.588 ppm2 -0.471 CV 1 ASSI { 2330} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 6.000 4.500 0.000 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.897 ppm2 4.414 CV 1 ASSI { 2331} (( segid " " and resid 93 and name HN )) (( segid " " and resid 9 and name HB2 )) 6.000 6.000 0.000 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.894 ppm2 3.202 CV 1 ASSI { 2332} (( segid " " and resid 93 and name HN )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.892 ppm2 0.869 CV 1 ASSI { 2333} (( segid " " and resid 93 and name HN )) (( segid " " and resid 17 and name HE21)) 6.000 4.500 0.000 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.884 ppm2 6.855 CV 1 ASSI { 2338} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HG2%) 6.000 4.500 0.000 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.887 ppm2 1.162 CV 1 ASSI { 2347} (( segid " " and resid 144 and name HN )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.594 ppm2 7.226 CV 1 ASSI { 2348} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.594 ppm2 4.819 CV 1 ASSI { 2350} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.595 ppm2 3.521 CV 1 ASSI { 2351} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HD1 )) 6.000 4.500 0.000 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.598 ppm2 3.262 CV 1 OR { 2351} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HD2 )) ASSI { 2352} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB1 )) 6.000 4.500 0.000 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.598 ppm2 1.374 CV 1 ASSI { 2354} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 9.255 CV 1 ASSI { 2355} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HN )) 6.000 4.500 0.000 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 8.410 CV 1 ASSI { 2356} (( segid " " and resid 144 and name HN )) (( segid " " and resid 146 and name HN )) 6.000 4.500 0.000 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.585 ppm2 7.879 CV 1 ASSI { 2357} (( segid " " and resid 144 and name HN )) (( segid " " and resid 125 and name HN )) 6.000 4.500 0.000 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 7.466 CV 1 ASSI { 2359} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 6.741 CV 1 ASSI { 2364} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HG2 )) 6.000 4.500 0.000 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 2.478 CV 1 OR { 2364} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HG1 )) ASSI { 2365} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB1 )) 6.000 4.500 0.000 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 2.132 CV 1 ASSI { 2366} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 1.795 CV 1 ASSI { 2367} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.591 ppm2 1.592 CV 1 ASSI { 2370} (( segid " " and resid 144 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 0.479 CV 1 ASSI { 2371} (( segid " " and resid 144 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 0.345 CV 1 ASSI { 2375} (( segid " " and resid 32 and name HN )) (( segid " " and resid 28 and name HN )) 6.000 4.500 0.000 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.985 ppm2 7.142 CV 1 ASSI { 2377} (( segid " " and resid 93 and name HN )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.896 ppm2 1.850 CV 1 ASSI { 2379} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HB2 )) 6.000 4.500 0.000 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.885 ppm2 1.428 CV 1 ASSI { 2380} (( segid " " and resid 120 and name HD21)) (( segid " " and resid 120 and name HD22)) 6.000 4.500 0.000 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.063 ppm2 6.900 CV 1 ASSI { 2381} (( segid " " and resid 120 and name HD21)) (( segid " " and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.062 ppm2 2.549 CV 1 ASSI { 2384} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.566 ppm2 8.297 CV 1 ASSI { 2386} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.566 ppm2 7.424 CV 1 ASSI { 2388} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.567 ppm2 6.724 CV 1 ASSI { 2389} (( segid " " and resid 148 and name HN )) (( segid " " and resid 153 and name HA )) 6.000 4.500 0.000 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.568 ppm2 4.582 CV 1 ASSI { 2390} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 6.000 4.500 0.000 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.567 ppm2 4.455 CV 1 ASSI { 2391} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.565 ppm2 4.235 CV 1 ASSI { 2393} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA )) 6.000 4.500 0.000 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.567 ppm2 3.674 CV 1 ASSI { 2394} (( segid " " and resid 148 and name HN )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.569 ppm2 3.525 CV 1 ASSI { 2396} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.562 ppm2 1.795 CV 1 ASSI { 2397} (( segid " " and resid 148 and name HN )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.568 ppm2 1.613 CV 1 OR { 2397} (( segid " " and resid 148 and name HN )) (( segid " " and resid 144 and name HG1 )) ASSI { 2398} (( segid " " and resid 148 and name HN )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.565 ppm2 1.258 CV 1 ASSI { 2399} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.566 ppm2 1.098 CV 1 ASSI { 2400} (( segid " " and resid 148 and name HN )) (( segid " " and resid 150 and name HB2 )) 6.000 4.500 0.000 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.565 ppm2 0.917 CV 1 ASSI { 2401} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB1 )) 6.000 4.500 0.000 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.566 ppm2 0.694 CV 1 ASSI { 2402} (( segid " " and resid 148 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.568 ppm2 -0.535 CV 1 ASSI { 2403} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HG2 )) 6.000 4.500 0.000 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.561 ppm2 2.470 CV 1 OR { 2403} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HG1 )) ASSI { 2404} (( segid " " and resid 148 and name HN )) (( segid " " and resid 119 and name HB1 )) 6.000 4.500 0.000 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.557 ppm2 1.469 CV 1 ASSI { 2405} (( segid " " and resid 120 and name HD22)) (( segid " " and resid 120 and name HN )) 6.000 4.500 0.000 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.915 ppm2 7.502 CV 1 ASSI { 2410} (( segid " " and resid 120 and name HD22)) (( segid " " and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.903 ppm2 3.000 CV 1 ASSI { 2411} (( segid " " and resid 120 and name HD22)) (( segid " " and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.900 ppm2 2.542 CV 1 ASSI { 2416} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HN )) 6.000 4.500 0.000 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.747 ppm2 8.419 CV 1 ASSI { 2418} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HE21)) 6.000 4.500 0.000 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.741 ppm2 7.564 CV 1 ASSI { 2421} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.747 ppm2 4.815 CV 1 ASSI { 2422} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.744 ppm2 4.244 CV 1 ASSI { 2424} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HA )) 6.000 4.500 0.000 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.742 ppm2 3.650 CV 1 ASSI { 2425} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.742 ppm2 3.524 CV 1 ASSI { 2426} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.745 ppm2 2.809 CV 1 ASSI { 2427} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.744 ppm2 2.658 CV 1 ASSI { 2428} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG2 )) 6.000 4.500 0.000 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.743 ppm2 2.480 CV 1 OR { 2428} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG1 )) ASSI { 2435} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HG12)) 6.000 4.500 0.000 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.745 ppm2 0.970 CV 1 ASSI { 2441} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 6.000 4.500 0.000 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.986 ppm2 7.286 CV 1 ASSI { 2442} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.983 ppm2 5.929 CV 1 ASSI { 2443} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 6.000 4.500 0.000 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.983 ppm2 3.583 CV 1 OR { 2443} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 2444} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 6.000 4.500 0.000 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.986 ppm2 3.354 CV 1 ASSI { 2445} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.984 ppm2 3.127 CV 1 ASSI { 2446} (( segid " " and resid 32 and name HN )) (( segid " " and resid 61 and name HG1 )) 6.000 4.500 0.000 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.984 ppm2 2.192 CV 1 ASSI { 2449} (( segid " " and resid 32 and name HN )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.982 ppm2 1.273 CV 1 ASSI { 2450} (( segid " " and resid 32 and name HN )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.982 ppm2 0.662 CV 1 ASSI { 2454} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 6.000 4.500 0.000 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.977 ppm2 4.902 CV 1 ASSI { 2456} (( segid " " and resid 32 and name HN )) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.976 ppm2 3.829 CV 1 ASSI { 2457} (( segid " " and resid 32 and name HN )) (( segid " " and resid 25 and name HG )) 6.000 4.500 0.000 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.980 ppm2 1.934 CV 1 ASSI { 2460} (( segid " " and resid 120 and name HD21)) (( segid " " and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.069 ppm2 3.000 CV 1 ASSI { 2465} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 6.000 4.500 0.000 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.488 ppm2 4.390 CV 1 ASSI { 2469} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HB2 )) 6.000 4.500 0.000 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.487 ppm2 3.005 CV 1 ASSI { 2470} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB2 )) 6.000 4.500 0.000 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.489 ppm2 2.126 CV 1 OR { 2470} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB1 )) OR { 2470} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG2 )) OR { 2470} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG1 )) ASSI { 2478} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.487 ppm2 0.456 CV 1 ASSI { 2479} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.485 ppm2 0.335 CV 1 ASSI { 2480} (( segid " " and resid 125 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.489 ppm2 -0.554 CV 1 ASSI { 2481} (( segid " " and resid 125 and name HN )) (( segid " " and resid 123 and name HN )) 6.000 4.500 0.000 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.482 ppm2 7.028 CV 1 ASSI { 2485} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HN )) 6.000 4.500 0.000 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.075 ppm2 8.314 CV 1 ASSI { 2491} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 6.000 4.500 0.000 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.074 ppm2 3.799 CV 1 ASSI { 2492} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HG1 )) 6.000 4.500 0.000 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.075 ppm2 3.295 CV 1 ASSI { 2493} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.075 ppm2 2.153 CV 1 ASSI { 2494} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.075 ppm2 1.943 CV 1 ASSI { 2495} (( segid " " and resid 119 and name HN )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.077 ppm2 1.820 CV 1 ASSI { 2496} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 6.000 4.500 0.000 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 1.646 CV 1 ASSI { 2497} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB1 )) 6.000 4.500 0.000 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.077 ppm2 1.474 CV 1 OR { 2497} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HE2 )) ASSI { 2498} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG2 )) 6.000 4.500 0.000 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 1.270 CV 1 ASSI { 2500} (( segid " " and resid 119 and name HN )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.080 ppm2 0.757 CV 1 ASSI { 2502} (( segid " " and resid 119 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.074 ppm2 0.340 CV 1 ASSI { 2509} (( segid " " and resid 125 and name HN )) (( segid " " and resid 122 and name HA1 )) 6.000 4.500 0.000 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.473 ppm2 2.790 CV 1 ASSI { 2516} (( segid " " and resid 108 and name HN )) (( segid " " and resid 116 and name HN )) 6.000 4.500 0.000 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.999 ppm2 8.352 CV 1 ASSI { 2517} (( segid " " and resid 108 and name HN )) (( segid " " and resid 110 and name HN )) 6.000 4.500 0.000 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.002 ppm2 7.932 CV 1 ASSI { 2519} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.994 ppm2 5.507 CV 1 ASSI { 2520} (( segid " " and resid 108 and name HN )) (( segid " " and resid 112 and name HA )) 6.000 4.500 0.000 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.997 ppm2 5.214 CV 1 ASSI { 2521} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 6.000 4.500 0.000 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.999 ppm2 4.826 CV 1 ASSI { 2522} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB )) 6.000 4.500 0.000 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.999 ppm2 4.648 CV 1 ASSI { 2523} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB1 )) 6.000 4.500 0.000 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.996 ppm2 2.703 CV 1 ASSI { 2524} (( segid " " and resid 108 and name HN )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.000 ppm2 1.433 CV 1 ASSI { 2525} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.997 ppm2 1.202 CV 1 ASSI { 2529} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HD21)) 6.000 4.500 0.000 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.993 ppm2 7.789 CV 1 ASSI { 2538} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HN )) 6.000 4.500 0.000 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.893 ppm2 7.145 CV 1 ASSI { 2546} (( segid " " and resid 134 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.287 ppm2 4.803 CV 1 ASSI { 2547} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA )) 6.000 4.500 0.000 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.285 ppm2 4.544 CV 1 ASSI { 2548} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 6.000 4.500 0.000 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.284 ppm2 4.127 CV 1 ASSI { 2550} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HD2 )) 6.000 4.500 0.000 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.286 ppm2 3.415 CV 1 ASSI { 2551} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HD1 )) 6.000 4.500 0.000 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.287 ppm2 3.107 CV 1 ASSI { 2552} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB2 )) 6.000 4.500 0.000 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.286 ppm2 2.306 CV 1 OR { 2552} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HG2 )) ASSI { 2553} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HG1 )) 6.000 4.500 0.000 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.285 ppm2 2.108 CV 1 ASSI { 2556} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 6.000 4.500 0.000 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.287 ppm2 1.488 CV 1 ASSI { 2557} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.286 ppm2 1.334 CV 1 ASSI { 2559} (( segid " " and resid 134 and name HN )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.285 ppm2 0.991 CV 1 ASSI { 2560} (( segid " " and resid 134 and name HN )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.288 ppm2 0.387 CV 1 ASSI { 2561} (( segid " " and resid 134 and name HN )) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.287 ppm2 0.084 CV 1 ASSI { 2576} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.523 ppm2 2.906 CV 1 ASSI { 2577} (( segid " " and resid 128 and name HN )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.522 ppm2 1.768 CV 1 ASSI { 2578} (( segid " " and resid 128 and name HN )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.522 ppm2 1.593 CV 1 ASSI { 2579} (( segid " " and resid 128 and name HN )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.521 ppm2 1.451 CV 1 ASSI { 2580} (( segid " " and resid 128 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.522 ppm2 1.342 CV 1 ASSI { 2584} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 6.000 4.500 0.000 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.516 ppm2 4.445 CV 1 ASSI { 2586} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB1 )) 6.000 4.500 0.000 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.515 ppm2 2.631 CV 1 ASSI { 2588} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.519 ppm2 1.207 CV 1 ASSI { 2589} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HD1%) 6.000 4.500 0.000 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.515 ppm2 0.570 CV 1 OR { 2589} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HD2%) ASSI { 2590} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.519 ppm2 0.279 CV 1 ASSI { 2594} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.903 ppm2 3.647 CV 1 ASSI { 2595} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.906 ppm2 2.735 CV 1 ASSI { 2596} (( segid " " and resid 30 and name HN )) (( segid " " and resid 64 and name HB1 )) 6.000 4.500 0.000 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.907 ppm2 1.745 CV 1 ASSI { 2598} (( segid " " and resid 30 and name HN )) (( segid " " and resid 64 and name HN )) 6.000 4.500 0.000 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.896 ppm2 8.556 CV 1 ASSI { 2599} (( segid " " and resid 30 and name HN )) (( segid " " and resid 63 and name HN )) 6.000 4.500 0.000 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.895 ppm2 8.242 CV 1 ASSI { 2600} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 6.000 4.500 0.000 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.903 ppm2 7.281 CV 1 ASSI { 2601} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.900 ppm2 5.947 CV 1 ASSI { 2602} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 6.000 4.500 0.000 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.902 ppm2 4.316 CV 1 ASSI { 2603} (( segid " " and resid 30 and name HN )) (( segid " " and resid 63 and name HB2 )) 6.000 4.500 0.000 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.902 ppm2 4.046 CV 1 OR { 2603} (( segid " " and resid 30 and name HN )) (( segid " " and resid 63 and name HB1 )) ASSI { 2604} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.902 ppm2 3.907 CV 1 ASSI { 2606} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG1 )) 6.000 4.500 0.000 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.902 ppm2 2.095 CV 1 ASSI { 2608} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 6.000 4.500 0.000 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.902 ppm2 1.889 CV 1 ASSI { 2609} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.901 ppm2 1.518 CV 1 ASSI { 2610} (( segid " " and resid 30 and name HN )) ( segid " " and resid 64 and name HD1%) 6.000 4.500 0.000 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.900 ppm2 0.732 CV 1 OR { 2610} (( segid " " and resid 30 and name HN )) ( segid " " and resid 64 and name HD2%) OR { 2610} (( segid " " and resid 30 and name HN )) (( segid " " and resid 64 and name HG )) ASSI { 2611} (( segid " " and resid 30 and name HN )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.899 ppm2 0.602 CV 1 ASSI { 2616} (( segid " " and resid 102 and name HN )) (( segid " " and resid 1 and name HA )) 6.000 4.500 0.000 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.398 ppm2 3.611 CV 1 ASSI { 2618} (( segid " " and resid 128 and name HN )) (( segid " " and resid 126 and name HB2 )) 6.000 4.500 0.000 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.514 ppm2 2.995 CV 1 ASSI { 2627} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HA )) 6.000 4.500 0.000 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.287 ppm2 4.556 CV 1 ASSI { 2628} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HA )) 6.000 4.500 0.000 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.287 ppm2 4.291 CV 1 ASSI { 2630} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.287 ppm2 3.406 CV 1 ASSI { 2631} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB1 )) 6.000 4.500 0.000 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.290 ppm2 2.940 CV 1 ASSI { 2633} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HB2 )) 6.000 4.500 0.000 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.281 ppm2 2.186 CV 1 OR { 2633} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HB1 )) ASSI { 2634} (( segid " " and resid 73 and name HN )) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.286 ppm2 1.609 CV 1 ASSI { 2635} (( segid " " and resid 73 and name HN )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.288 ppm2 1.311 CV 1 ASSI { 2637} (( segid " " and resid 73 and name HN )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.288 ppm2 1.054 CV 1 ASSI { 2650} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA1 )) 6.000 4.500 0.000 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.782 ppm2 5.757 CV 1 ASSI { 2651} (( segid " " and resid 8 and name HN )) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.782 ppm2 5.456 CV 1 ASSI { 2652} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 6.000 4.500 0.000 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.782 ppm2 4.849 CV 1 ASSI { 2654} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.782 ppm2 3.749 CV 1 ASSI { 2656} (( segid " " and resid 8 and name HN )) (( segid " " and resid 95 and name HB1 )) 6.000 4.500 0.000 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.778 ppm2 2.496 CV 1 ASSI { 2657} (( segid " " and resid 8 and name HN )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.783 ppm2 1.778 CV 1 ASSI { 2662} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.781 ppm2 0.672 CV 1 ASSI { 2669} (( segid " " and resid 102 and name HN )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.401 ppm2 7.013 CV 1 ASSI { 2671} (( segid " " and resid 102 and name HN )) (( segid " " and resid 3 and name HA )) 6.000 4.500 0.000 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.398 ppm2 4.962 CV 1 ASSI { 2673} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 6.000 4.500 0.000 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.399 ppm2 4.532 CV 1 ASSI { 2675} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA2 )) 6.000 4.500 0.000 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.398 ppm2 3.867 CV 1 OR { 2675} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA1 )) ASSI { 2676} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB1 )) 6.000 4.500 0.000 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.398 ppm2 3.317 CV 1 ASSI { 2677} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HB2 )) 6.000 4.500 0.000 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.400 ppm2 2.669 CV 1 ASSI { 2678} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.403 ppm2 2.171 CV 1 ASSI { 2680} (( segid " " and resid 102 and name HN )) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.397 ppm2 1.761 CV 1 ASSI { 2681} (( segid " " and resid 102 and name HN )) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.401 ppm2 1.216 CV 1 ASSI { 2682} (( segid " " and resid 102 and name HN )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.399 ppm2 0.948 CV 1 ASSI { 2684} (( segid " " and resid 102 and name HN )) ( segid " " and resid 100 and name HD1%) 6.000 4.500 0.000 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.398 ppm2 0.655 CV 1 ASSI { 2685} (( segid " " and resid 102 and name HN )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.399 ppm2 0.516 CV 1 ASSI { 2686} (( segid " " and resid 102 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.399 ppm2 0.134 CV 1 ASSI { 2688} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.393 ppm2 2.327 CV 1 ASSI { 2693} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 114 and name HG2 )) 6.000 4.500 0.000 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.789 ppm2 2.005 CV 1 ASSI { 2697} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 6.000 4.500 0.000 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.285 ppm2 4.378 CV 1 ASSI { 2698} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB )) 6.000 4.500 0.000 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.290 ppm2 3.922 CV 1 ASSI { 2704} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 107 and name HD22)) 6.000 4.500 0.000 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.802 ppm2 6.795 CV 1 ASSI { 2708} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 107 and name HB1 )) 6.000 4.500 0.000 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.802 ppm2 2.687 CV 1 OR { 2708} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 107 and name HB2 )) ASSI { 2709} (( segid " " and resid 107 and name HD21)) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.803 ppm2 1.429 CV 1 ASSI { 2713} (( segid " " and resid 156 and name HD22)) (( segid " " and resid 156 and name HD21)) 6.000 4.500 0.000 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.697 ppm2 7.075 CV 1 ASSI { 2714} (( segid " " and resid 156 and name HD22)) (( segid " " and resid 156 and name HA )) 6.000 4.500 0.000 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.698 ppm2 4.821 CV 1 ASSI { 2716} (( segid " " and resid 156 and name HD22)) (( segid " " and resid 155 and name HA )) 6.000 4.500 0.000 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.696 ppm2 4.494 CV 1 ASSI { 2717} (( segid " " and resid 156 and name HD22)) (( segid " " and resid 156 and name HB1 )) 6.000 4.500 0.000 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.697 ppm2 2.866 CV 1 ASSI { 2718} (( segid " " and resid 156 and name HD22)) (( segid " " and resid 156 and name HB2 )) 6.000 4.500 0.000 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.697 ppm2 2.760 CV 1 ASSI { 2726} (( segid " " and resid 156 and name HD21)) (( segid " " and resid 156 and name HB1 )) 6.000 4.500 0.000 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.076 ppm2 2.864 CV 1 ASSI { 2727} (( segid " " and resid 156 and name HD21)) (( segid " " and resid 156 and name HB2 )) 6.000 4.500 0.000 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.079 ppm2 2.758 CV 1 ASSI { 2731} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 105 and name HA )) 6.000 4.500 0.000 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.800 ppm2 4.671 CV 1 ASSI { 2732} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 106 and name HA )) 6.000 4.500 0.000 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.797 ppm2 4.278 CV 1 ASSI { 2733} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 107 and name HB1 )) 6.000 4.500 0.000 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.797 ppm2 2.690 CV 1 ASSI { 2734} (( segid " " and resid 107 and name HD22)) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.799 ppm2 1.428 CV 1 ASSI { 2740} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HA )) 6.000 4.500 0.000 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 4.583 CV 1 ASSI { 2741} (( segid " " and resid 67 and name HN )) (( segid " " and resid 110 and name HD1 )) 6.000 4.500 0.000 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.724 ppm2 3.218 CV 1 OR { 2741} (( segid " " and resid 67 and name HN )) (( segid " " and resid 110 and name HD2 )) ASSI { 2742} (( segid " " and resid 67 and name HN )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.723 ppm2 0.305 CV 1 ASSI { 2744} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HA )) 6.000 4.500 0.000 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.106 ppm2 4.679 CV 1 ASSI { 2747} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 91 and name HA )) 6.000 4.500 0.000 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.882 ppm2 4.555 CV 1 ASSI { 2750} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HN )) 6.000 4.500 0.000 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.723 ppm2 8.368 CV 1 ASSI { 2752} (( segid " " and resid 67 and name HN )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 7.660 CV 1 ASSI { 2755} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HA )) 6.000 4.500 0.000 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 4.311 CV 1 ASSI { 2757} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HD1 )) 6.000 4.500 0.000 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 3.382 CV 1 ASSI { 2758} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HG2 )) 6.000 4.500 0.000 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.727 ppm2 2.396 CV 1 OR { 2758} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HG1 )) ASSI { 2759} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HB2 )) 6.000 4.500 0.000 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.727 ppm2 2.257 CV 1 ASSI { 2760} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) 6.000 4.500 0.000 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.724 ppm2 2.148 CV 1 ASSI { 2761} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 6.000 4.500 0.000 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 1.838 CV 1 OR { 2761} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 2763} (( segid " " and resid 67 and name HN )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 1.436 CV 1 ASSI { 2767} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.724 ppm2 0.518 CV 1 ASSI { 2770} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HE21)) 6.000 4.500 0.000 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.942 ppm2 7.086 CV 1 ASSI { 2772} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HG2 )) 6.000 4.500 0.000 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.943 ppm2 2.305 CV 1 OR { 2772} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HG1 )) ASSI { 2773} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HB2 )) 6.000 4.500 0.000 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.947 ppm2 2.169 CV 1 OR { 2773} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HB1 )) ASSI { 2775} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 48 and name HE21)) 6.000 4.500 0.000 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.616 ppm2 6.883 CV 1 ASSI { 2777} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 51 and name HA )) 6.000 4.500 0.000 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.618 ppm2 4.439 CV 1 ASSI { 2778} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.614 ppm2 4.253 CV 1 ASSI { 2779} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 48 and name HG2 )) 6.000 4.500 0.000 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.616 ppm2 2.428 CV 1 OR { 2779} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 48 and name HG1 )) ASSI { 2781} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 48 and name HB2 )) 6.000 4.500 0.000 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.617 ppm2 1.987 CV 1 ASSI { 2782} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 91 and name HB1 )) 6.000 4.500 0.000 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.619 ppm2 1.828 CV 1 ASSI { 2783} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HG2 )) 6.000 4.500 0.000 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.102 ppm2 2.304 CV 1 OR { 2783} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HG1 )) ASSI { 2787} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 51 and name HA )) 6.000 4.500 0.000 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.886 ppm2 4.449 CV 1 ASSI { 2788} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.888 ppm2 4.246 CV 1 ASSI { 2789} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.893 ppm2 3.716 CV 1 ASSI { 2790} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 91 and name HD2 )) 6.000 4.500 0.000 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.889 ppm2 3.614 CV 1 ASSI { 2791} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 48 and name HG2 )) 6.000 4.500 0.000 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.888 ppm2 2.429 CV 1 OR { 2791} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 48 and name HG1 )) ASSI { 2809} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HD1 )) 6.000 4.500 0.000 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.939 ppm2 3.235 CV 1 OR { 2809} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HD2 )) ASSI { 2812} (( segid " " and resid 110 and name HN )) (( segid " " and resid 112 and name HB )) 6.000 4.500 0.000 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.933 ppm2 4.367 CV 1 ASSI { 2842} (( segid " " and resid 110 and name HN )) (( segid " " and resid 108 and name HB )) 6.000 4.500 0.000 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.934 ppm2 4.667 CV 1 ASSI { 2843} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 6.000 4.500 0.000 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.935 ppm2 4.224 CV 1 ASSI { 2844} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 6.000 4.500 0.000 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.934 ppm2 4.035 CV 1 ASSI { 2846} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB1 )) 6.000 4.500 0.000 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.935 ppm2 2.026 CV 1 OR { 2846} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB2 )) ASSI { 2847} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG1 )) 6.000 4.500 0.000 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.934 ppm2 1.771 CV 1 ASSI { 2848} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 6.000 4.500 0.000 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.933 ppm2 1.625 CV 1 ASSI { 2850} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB1 )) 6.000 4.500 0.000 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.934 ppm2 1.352 CV 1 ASSI { 2851} (( segid " " and resid 110 and name HN )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.935 ppm2 1.203 CV 1 ASSI { 2863} (( segid " " and resid 38 and name HN )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.456 ppm2 6.967 CV 1 ASSI { 2865} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 6.000 4.500 0.000 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.456 ppm2 5.060 CV 1 ASSI { 2866} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) 6.000 4.500 0.000 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.457 ppm2 4.819 CV 1 ASSI { 2867} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 6.000 4.500 0.000 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.456 ppm2 4.260 CV 1 ASSI { 2868} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 6.000 4.500 0.000 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.454 ppm2 4.057 CV 1 OR { 2868} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) ASSI { 2869} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB1 )) 6.000 4.500 0.000 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.453 ppm2 3.599 CV 1 ASSI { 2870} (( segid " " and resid 38 and name HN )) (( segid " " and resid 157 and name HG1 )) 6.000 4.500 0.000 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.455 ppm2 1.559 CV 1 ASSI { 2874} (( segid " " and resid 38 and name HN )) (( segid " " and resid 56 and name HA )) 6.000 4.500 0.000 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.445 ppm2 4.967 CV 1 ASSI { 2876} (( segid " " and resid 149 and name HN )) (( segid " " and resid 144 and name HG1 )) 6.000 4.500 0.000 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.309 ppm2 1.615 CV 1 ASSI { 2879} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HB2 )) 6.000 4.500 0.000 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.293 ppm2 0.913 CV 1 ASSI { 2883} (( segid " " and resid 100 and name HN )) (( segid " " and resid 102 and name HN )) 6.000 4.500 0.000 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.510 ppm2 8.364 CV 1 ASSI { 2886} (( segid " " and resid 100 and name HN )) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.510 ppm2 5.581 CV 1 ASSI { 2888} (( segid " " and resid 100 and name HN )) (( segid " " and resid 115 and name HB2 )) 6.000 4.500 0.000 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.513 ppm2 3.018 CV 1 ASSI { 2896} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 6.000 4.500 0.000 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.500 ppm2 4.539 CV 1 ASSI { 2897} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HA )) 6.000 4.500 0.000 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 4.190 CV 1 ASSI { 2899} (( segid " " and resid 100 and name HN )) (( segid " " and resid 4 and name HB2 )) 6.000 4.500 0.000 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 2.693 CV 1 OR { 2899} (( segid " " and resid 100 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 2900} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 6.000 4.500 0.000 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.505 ppm2 2.275 CV 1 OR { 2900} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB1 )) ASSI { 2901} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HG1 )) 6.000 4.500 0.000 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.505 ppm2 2.196 CV 1 ASSI { 2902} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HB )) 6.000 4.500 0.000 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.506 ppm2 2.092 CV 1 ASSI { 2905} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG )) 6.000 4.500 0.000 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.501 ppm2 1.614 CV 1 ASSI { 2908} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HG11)) 6.000 4.500 0.000 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.503 ppm2 0.956 CV 1 ASSI { 2909} (( segid " " and resid 100 and name HN )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 0.839 CV 1 ASSI { 2910} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HD1%) 6.000 4.500 0.000 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.504 ppm2 0.670 CV 1 ASSI { 2914} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HD21)) 6.000 4.500 0.000 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.431 ppm2 7.183 CV 1 ASSI { 2915} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.427 ppm2 2.603 CV 1 ASSI { 2916} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 68 and name HG2 )) 6.000 4.500 0.000 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 2.396 CV 1 OR { 2916} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 68 and name HG1 )) ASSI { 2917} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.187 ppm2 7.685 CV 1 ASSI { 2919} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.191 ppm2 6.867 CV 1 ASSI { 2923} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HB2 )) 6.000 4.500 0.000 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.188 ppm2 3.060 CV 1 ASSI { 2924} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.188 ppm2 2.585 CV 1 ASSI { 2936} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HD2 )) 6.000 4.500 0.000 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.299 ppm2 7.006 CV 1 ASSI { 2938} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB )) 6.000 4.500 0.000 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.301 ppm2 4.198 CV 1 ASSI { 2942} (( segid " " and resid 149 and name HN )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.296 ppm2 3.549 CV 1 ASSI { 2946} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HG1 )) 6.000 4.500 0.000 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.297 ppm2 1.417 CV 1 ASSI { 2947} (( segid " " and resid 149 and name HN )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.301 ppm2 1.265 CV 1 ASSI { 2954} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB1 )) 6.000 4.500 0.000 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.504 ppm2 1.795 CV 1 ASSI { 2959} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HB2 )) 6.000 4.500 0.000 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.427 ppm2 3.053 CV 1 ASSI { 2960} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 67 and name HB1 )) 6.000 4.500 0.000 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.419 ppm2 1.820 CV 1 OR { 2960} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 67 and name HB2 )) ASSI { 2967} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 145 and name HE22)) 6.000 4.500 0.000 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.592 ppm2 6.935 CV 1 ASSI { 2978} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.941 ppm2 4.818 CV 1 ASSI { 2979} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 145 and name HB1 )) 6.000 4.500 0.000 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.940 ppm2 2.215 CV 1 ASSI { 2982} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 144 and name HB1 )) 6.000 4.500 0.000 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.934 ppm2 2.101 CV 1 ASSI { 2985} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.592 ppm2 4.819 CV 1 ASSI { 2987} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 145 and name HG2 )) 6.000 4.500 0.000 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.594 ppm2 2.479 CV 1 OR { 2987} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 145 and name HG1 )) ASSI { 2988} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 145 and name HB2 )) 6.000 4.500 0.000 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.593 ppm2 2.318 CV 1 ASSI { 2989} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.585 ppm2 7.443 CV 1 ASSI { 2992} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.581 ppm2 4.248 CV 1 ASSI { 2998} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.573 ppm2 2.659 CV 1 ASSI { 3001} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 6.000 4.500 0.000 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.046 ppm2 9.302 CV 1 ASSI { 3002} (( segid " " and resid 123 and name HN )) (( segid " " and resid 152 and name HN )) 6.000 4.500 0.000 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.046 ppm2 7.253 CV 1 ASSI { 3005} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 6.000 4.500 0.000 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.046 ppm2 4.338 CV 1 ASSI { 3006} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 3006 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.043 ppm2 4.090 CV 1 ASSI { 3008} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB1 )) 6.000 4.500 0.000 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.043 ppm2 2.913 CV 1 ASSI { 3010} (( segid " " and resid 123 and name HN )) (( segid " " and resid 127 and name HG2 )) 6.000 4.500 0.000 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.048 ppm2 2.038 CV 1 ASSI { 3015} (( segid " " and resid 123 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.046 ppm2 0.340 CV 1 ASSI { 3016} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HB2 )) 6.000 4.500 0.000 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.044 ppm2 -0.366 CV 1 ASSI { 3017} (( segid " " and resid 123 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.046 ppm2 -0.546 CV 1 ASSI { 3020} (( segid " " and resid 103 and name HD21)) (( segid " " and resid 103 and name HA )) 6.000 4.500 0.000 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.991 ppm2 5.169 CV 1 ASSI { 3022} (( segid " " and resid 103 and name HD21)) (( segid " " and resid 103 and name HD22)) 6.000 4.500 0.000 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.984 ppm2 7.570 CV 1 ASSI { 3025} (( segid " " and resid 103 and name HD21)) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.983 ppm2 3.832 CV 1 ASSI { 3027} (( segid " " and resid 103 and name HD21)) (( segid " " and resid 103 and name HB2 )) 6.000 4.500 0.000 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.985 ppm2 2.660 CV 1 ASSI { 3030} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 145 and name HG2 )) 6.000 4.500 0.000 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.939 ppm2 2.468 CV 1 OR { 3030} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 145 and name HG1 )) ASSI { 3031} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 145 and name HB2 )) 6.000 4.500 0.000 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.932 ppm2 2.316 CV 1 ASSI { 3036} (( segid " " and resid 139 and name HN )) (( segid " " and resid 114 and name HB2 )) 6.000 4.500 0.000 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.503 ppm2 2.818 CV 1 ASSI { 3037} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB1 )) 6.000 4.500 0.000 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.498 ppm2 2.425 CV 1 ASSI { 3038} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG2 )) 6.000 4.500 0.000 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.499 ppm2 2.006 CV 1 OR { 3038} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG1 )) ASSI { 3039} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB2 )) 6.000 4.500 0.000 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.499 ppm2 1.849 CV 1 ASSI { 3040} (( segid " " and resid 139 and name HN )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.501 ppm2 1.803 CV 1 ASSI { 3044} (( segid " " and resid 139 and name HN )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.495 ppm2 1.020 CV 1 OR { 3044} (( segid " " and resid 139 and name HN )) ( segid " " and resid 136 and name HG1%) ASSI { 3075} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HA2 )) 6.000 4.500 0.000 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.497 ppm2 4.380 CV 1 ASSI { 3078} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HA1 )) 6.000 4.500 0.000 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.497 ppm2 3.512 CV 1 ASSI { 3082} (( segid " " and resid 139 and name HN )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 0.494 CV 1 ASSI { 3083} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HN )) 6.000 4.500 0.000 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.496 ppm2 8.363 CV 1 ASSI { 3088} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HD2 )) 6.000 4.500 0.000 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.496 ppm2 4.021 CV 1 OR { 3088} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HD1 )) ASSI { 3089} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HB2 )) 6.000 4.500 0.000 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.496 ppm2 3.365 CV 1 ASSI { 3090} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.494 ppm2 3.027 CV 1 ASSI { 3091} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.494 ppm2 2.582 CV 1 ASSI { 3106} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HA )) 6.000 4.500 0.000 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.368 ppm2 4.808 CV 1 ASSI { 3112} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 6.000 4.500 0.000 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.361 ppm2 4.601 CV 1 ASSI { 3113} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 6.000 4.500 0.000 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.364 ppm2 4.510 CV 1 ASSI { 3115} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB )) 6.000 4.500 0.000 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.362 ppm2 4.101 CV 1 ASSI { 3117} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.361 ppm2 3.869 CV 1 ASSI { 3119} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) 6.000 4.500 0.000 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.362 ppm2 1.634 CV 1 ASSI { 3120} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.362 ppm2 1.526 CV 1 ASSI { 3150} (( segid " " and resid 46 and name HN )) (( segid " " and resid 48 and name HE21)) 6.000 4.500 0.000 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.321 ppm2 6.886 CV 1 ASSI { 3153} (( segid " " and resid 46 and name HN )) (( segid " " and resid 49 and name HA )) 6.000 4.500 0.000 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.324 ppm2 4.582 CV 1 ASSI { 3154} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 6.000 4.500 0.000 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.318 ppm2 4.433 CV 1 ASSI { 3155} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA2 )) 6.000 4.500 0.000 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.319 ppm2 4.266 CV 1 ASSI { 3156} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA1 )) 6.000 4.500 0.000 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.319 ppm2 3.865 CV 1 ASSI { 3157} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HD2 )) 6.000 4.500 0.000 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.319 ppm2 3.696 CV 1 OR { 3157} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HD1 )) ASSI { 3160} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HB2 )) 6.000 4.500 0.000 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.317 ppm2 2.324 CV 1 ASSI { 3161} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HB2 )) 6.000 4.500 0.000 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.321 ppm2 2.170 CV 1 OR { 3161} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HB1 )) ASSI { 3162} (( segid " " and resid 46 and name HN )) (( segid " " and resid 48 and name HB2 )) 6.000 4.500 0.000 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.321 ppm2 1.971 CV 1 ASSI { 3163} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) 6.000 4.500 0.000 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.319 ppm2 1.579 CV 1 OR { 3163} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 3164} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD2%) 6.000 4.500 0.000 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.317 ppm2 0.867 CV 1 OR { 3164} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD1%) ASSI { 3174} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.499 ppm2 3.022 CV 1 ASSI { 3175} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.507 ppm2 2.542 CV 1 ASSI { 3176} (( segid " " and resid 120 and name HN )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.505 ppm2 2.157 CV 1 ASSI { 3177} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) 6.000 4.500 0.000 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 1.646 CV 1 ASSI { 3178} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB1 )) 6.000 4.500 0.000 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 1.475 CV 1 OR { 3178} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HE2 )) ASSI { 3179} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HG1 )) 6.000 4.500 0.000 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 1.362 CV 1 ASSI { 3180} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HG2 )) 6.000 4.500 0.000 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 1.231 CV 1 ASSI { 3184} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.505 ppm2 0.485 CV 1 ASSI { 3185} (( segid " " and resid 120 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.498 ppm2 0.344 CV 1 ASSI { 3186} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HB2 )) 6.000 4.500 0.000 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.506 ppm2 -0.363 CV 1 ASSI { 3193} (( segid " " and resid 19 and name HD21)) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.385 ppm2 2.069 CV 1 ASSI { 3198} (( segid " " and resid 31 and name HN )) (( segid " " and resid 63 and name HN )) 6.000 4.500 0.000 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.283 ppm2 8.241 CV 1 ASSI { 3199} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.283 ppm2 5.918 CV 1 ASSI { 3200} (( segid " " and resid 31 and name HN )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.282 ppm2 5.495 CV 1 ASSI { 3203} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) 6.000 4.500 0.000 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.281 ppm2 4.326 CV 1 ASSI { 3204} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.282 ppm2 3.906 CV 1 ASSI { 3205} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 6.000 4.500 0.000 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.282 ppm2 3.584 CV 1 OR { 3205} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) ASSI { 3206} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.283 ppm2 3.127 CV 1 ASSI { 3207} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.283 ppm2 2.742 CV 1 ASSI { 3209} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG1 )) 6.000 4.500 0.000 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.282 ppm2 2.101 CV 1 ASSI { 3210} (( segid " " and resid 31 and name HN )) (( segid " " and resid 28 and name HG11)) 6.000 4.500 0.000 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.282 ppm2 2.035 CV 1 OR { 3210} (( segid " " and resid 31 and name HN )) (( segid " " and resid 28 and name HG12)) ASSI { 3211} (( segid " " and resid 31 and name HN )) (( segid " " and resid 64 and name HB1 )) 6.000 4.500 0.000 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.286 ppm2 1.731 CV 1 ASSI { 3212} (( segid " " and resid 31 and name HN )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.281 ppm2 1.513 CV 1 ASSI { 3216} (( segid " " and resid 31 and name HN )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.284 ppm2 0.733 CV 1 OR { 3216} (( segid " " and resid 31 and name HN )) ( segid " " and resid 64 and name HD1%) OR { 3216} (( segid " " and resid 31 and name HN )) ( segid " " and resid 64 and name HD2%) ASSI { 3221} (( segid " " and resid 19 and name HD22)) (( segid " " and resid 19 and name HA )) 6.000 4.500 0.000 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.841 ppm2 4.561 CV 1 ASSI { 3228} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 17 and name HE21)) 6.000 4.500 0.000 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.772 ppm2 6.830 CV 1 ASSI { 3234} (( segid " " and resid 17 and name HE22)) ( segid " " and resid 20 and name HB% ) 6.000 4.500 0.000 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.770 ppm2 1.531 CV 1 ASSI { 3239} (( segid " " and resid 120 and name HN )) (( segid " " and resid 118 and name HG1 )) 6.000 4.500 0.000 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.490 ppm2 3.284 CV 1 ASSI { 3243} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 80 and name HA )) 6.000 6.000 0.000 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.764 ppm2 4.635 CV 1 ASSI { 3244} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 81 and name HA1 )) 6.000 4.500 0.000 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.769 ppm2 4.128 CV 1 OR { 3244} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 81 and name HA2 )) ASSI { 3283} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.374 ppm2 4.810 CV 1 ASSI { 3284} (( segid " " and resid 140 and name HN )) (( segid " " and resid 137 and name HN )) 6.000 4.500 0.000 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.363 ppm2 9.223 CV 1 ASSI { 3290} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA2 )) 6.000 4.500 0.000 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.366 ppm2 4.402 CV 1 ASSI { 3291} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA1 )) 6.000 4.500 0.000 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.365 ppm2 3.517 CV 1 ASSI { 3293} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.366 ppm2 3.042 CV 1 ASSI { 3294} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.367 ppm2 2.617 CV 1 ASSI { 3295} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HB1 )) 6.000 4.500 0.000 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.364 ppm2 2.403 CV 1 ASSI { 3296} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.364 ppm2 2.292 CV 1 ASSI { 3297} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 3297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.364 ppm2 2.050 CV 1 ASSI { 3299} (( segid " " and resid 140 and name HN )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 3299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.363 ppm2 1.806 CV 1 ASSI { 3300} (( segid " " and resid 140 and name HN )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 3300 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.366 ppm2 1.017 CV 1 OR { 3300} (( segid " " and resid 140 and name HN )) ( segid " " and resid 136 and name HG1%) ASSI { 3315} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HN )) 6.000 4.500 0.000 peak 3315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 8.598 CV 1 ASSI { 3317} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 6.000 4.500 0.000 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.603 ppm2 4.595 CV 1 ASSI { 3318} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA1 )) 6.000 4.500 0.000 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 4.152 CV 1 OR { 3318} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA2 )) ASSI { 3319} (( segid " " and resid 81 and name HN )) (( segid " " and resid 77 and name HA )) 6.000 4.500 0.000 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.606 ppm2 3.680 CV 1 ASSI { 3320} (( segid " " and resid 81 and name HN )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 1.848 CV 1 ASSI { 3321} (( segid " " and resid 81 and name HN )) ( segid " " and resid 20 and name HB% ) 6.000 4.500 0.000 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 1.565 CV 1 ASSI { 3324} (( segid " " and resid 81 and name HN )) (( segid " " and resid 87 and name HN )) 6.000 4.500 0.000 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.600 ppm2 8.430 CV 1 ASSI { 3326} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB1 )) 6.000 4.500 0.000 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 2.319 CV 1 OR { 3326} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB2 )) ASSI { 3327} (( segid " " and resid 81 and name HN )) (( segid " " and resid 94 and name HB1 )) 6.000 4.500 0.000 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.596 ppm2 1.693 CV 1 ASSI { 3328} (( segid " " and resid 131 and name HN )) (( segid " " and resid 35 and name HB )) 6.000 4.500 0.000 peak 3328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.919 ppm2 4.097 CV 1 ASSI { 3329} (( segid " " and resid 131 and name HN )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.918 ppm2 2.002 CV 1 ASSI { 3330} (( segid " " and resid 131 and name HN )) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.918 ppm2 1.953 CV 1 ASSI { 3332} (( segid " " and resid 131 and name HN )) (( segid " " and resid 37 and name HN )) 6.000 4.500 0.000 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.929 ppm2 9.226 CV 1 ASSI { 3339} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 6.000 4.500 0.000 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.917 ppm2 4.479 CV 1 ASSI { 3340} (( segid " " and resid 131 and name HN )) (( segid " " and resid 128 and name HA )) 6.000 4.500 0.000 peak 3340 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.915 ppm2 3.846 CV 1 ASSI { 3341} (( segid " " and resid 131 and name HN )) (( segid " " and resid 133 and name HD1 )) 6.000 4.500 0.000 peak 3341 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.912 ppm2 3.104 CV 1 ASSI { 3342} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 3342 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.918 ppm2 2.612 CV 1 ASSI { 3343} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 3343 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.917 ppm2 2.290 CV 1 OR { 3343} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HG2 )) ASSI { 3344} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB )) 6.000 4.500 0.000 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.917 ppm2 2.133 CV 1 ASSI { 3345} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.915 ppm2 1.607 CV 1 ASSI { 3346} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.915 ppm2 1.487 CV 1 ASSI { 3347} (( segid " " and resid 131 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 3347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.917 ppm2 1.358 CV 1 ASSI { 3349} (( segid " " and resid 131 and name HN )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.915 ppm2 0.992 CV 1 ASSI { 3351} (( segid " " and resid 131 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 3351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.914 ppm2 0.280 CV 1 ASSI { 3353} (( segid " " and resid 131 and name HN )) (( segid " " and resid 133 and name HG1 )) 6.000 4.500 0.000 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.907 ppm2 1.817 CV 1 OR { 3353} (( segid " " and resid 131 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 3358} (( segid " " and resid 26 and name HN )) (( segid " " and resid 33 and name HN )) 6.000 4.500 0.000 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.588 ppm2 9.170 CV 1 ASSI { 3360} (( segid " " and resid 26 and name HN )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3360 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.582 ppm2 7.725 CV 1 ASSI { 3366} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.584 ppm2 4.176 CV 1 ASSI { 3369} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HB2 )) 6.000 4.500 0.000 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.582 ppm2 2.579 CV 1 ASSI { 3370} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 6.000 4.500 0.000 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.580 ppm2 2.126 CV 1 ASSI { 3372} (( segid " " and resid 26 and name HN )) (( segid " " and resid 60 and name HB1 )) 6.000 6.000 0.000 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.576 ppm2 1.800 CV 1 ASSI { 3375} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.579 ppm2 1.235 CV 1 ASSI { 3380} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HB1 )) 6.000 4.500 0.000 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.584 ppm2 2.899 CV 1 ASSI { 1} (( segid " " and resid 108 and name HB )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.640 ppm2 1.201 CV 1 ASSI { 1} (( segid " " and resid 112 and name HB )) (( segid " " and resid 116 and name HN )) 6.000 4.500 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.351 ppm2 8.357 CV 1 ASSI { 2} (( segid " " and resid 112 and name HB )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.347 ppm2 1.433 CV 1 ASSI { 8} (( segid " " and resid 62 and name HB )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.805 ppm2 5.503 CV 1 ASSI { 9} (( segid " " and resid 62 and name HB )) (( segid " " and resid 64 and name HB2 )) 6.000 4.500 0.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.801 ppm2 1.479 CV 1 ASSI { 11} (( segid " " and resid 62 and name HB )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.804 ppm2 1.091 CV 1 ASSI { 12} (( segid " " and resid 62 and name HB )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.801 ppm2 0.947 CV 1 OR { 12} (( segid " " and resid 62 and name HB )) ( segid " " and resid 69 and name HD2%) ASSI { 14} (( segid " " and resid 62 and name HB )) (( segid " " and resid 31 and name HB1 )) 6.000 4.500 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.796 ppm2 3.596 CV 1 OR { 14} (( segid " " and resid 62 and name HB )) (( segid " " and resid 31 and name HB2 )) ASSI { 16} (( segid " " and resid 42 and name HB )) (( segid " " and resid 43 and name HD2 )) 6.000 4.500 0.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.152 ppm2 3.831 CV 1 OR { 16} (( segid " " and resid 42 and name HB )) (( segid " " and resid 43 and name HD1 )) ASSI { 18} (( segid " " and resid 42 and name HB )) (( segid " " and resid 42 and name HN )) 6.000 4.500 0.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.145 ppm2 9.605 CV 1 ASSI { 19} (( segid " " and resid 42 and name HB )) (( segid " " and resid 40 and name HB2 )) 6.000 4.500 0.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.146 ppm2 2.845 CV 1 ASSI { 23} (( segid " " and resid 35 and name HB )) (( segid " " and resid 35 and name HA )) 6.000 4.500 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.104 ppm2 4.593 CV 1 ASSI { 24} (( segid " " and resid 35 and name HB )) (( segid " " and resid 131 and name HA )) 6.000 4.500 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.103 ppm2 4.472 CV 1 ASSI { 25} (( segid " " and resid 35 and name HB )) (( segid " " and resid 128 and name HA )) 6.000 4.500 0.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.108 ppm2 3.831 CV 1 ASSI { 26} (( segid " " and resid 35 and name HB )) (( segid " " and resid 131 and name HB )) 6.000 4.500 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.101 ppm2 2.124 CV 1 ASSI { 27} (( segid " " and resid 35 and name HB )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.101 ppm2 1.620 CV 1 ASSI { 28} (( segid " " and resid 35 and name HB )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.100 ppm2 1.511 CV 1 ASSI { 30} (( segid " " and resid 35 and name HB )) ( segid " " and resid 35 and name HG2%) 6.000 4.500 0.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.102 ppm2 1.236 CV 1 ASSI { 32} (( segid " " and resid 35 and name HB )) ( segid " " and resid 33 and name HD1%) 6.000 4.500 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.100 ppm2 0.856 CV 1 ASSI { 36} (( segid " " and resid 149 and name HB )) (( segid " " and resid 150 and name HG1 )) 6.000 4.500 0.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.184 ppm2 1.414 CV 1 ASSI { 37} (( segid " " and resid 149 and name HB )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.184 ppm2 1.259 CV 1 ASSI { 40} (( segid " " and resid 93 and name HB )) ( segid " " and resid 93 and name HG2%) 6.000 4.500 0.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.389 ppm2 1.164 CV 1 ASSI { 41} (( segid " " and resid 149 and name HB )) (( segid " " and resid 146 and name HA )) 6.000 4.500 0.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.192 ppm2 3.640 CV 1 ASSI { 45} (( segid " " and resid 1 and name HB )) (( segid " " and resid 62 and name HN )) 6.000 4.500 0.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.531 ppm2 9.200 CV 1 ASSI { 46} (( segid " " and resid 1 and name HB )) (( segid " " and resid 2 and name HN )) 6.000 4.500 0.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.527 ppm2 8.749 CV 1 ASSI { 48} (( segid " " and resid 1 and name HB )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.525 ppm2 0.512 CV 1 ASSI { 49} (( segid " " and resid 1 and name HB )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.523 ppm2 1.088 CV 1 ASSI { 52} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.577 ppm2 5.917 CV 1 OR { 52} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HA )) ASSI { 53} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.575 ppm2 1.526 CV 1 OR { 53} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 28 and name HB )) ASSI { 54} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.572 ppm2 1.266 CV 1 OR { 54} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 60 and name HG )) ASSI { 55} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.575 ppm2 0.669 CV 1 OR { 55} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 60 and name HD2%) ASSI { 61} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB )) 6.000 4.500 0.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.324 ppm2 1.580 CV 1 ASSI { 63} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.323 ppm2 0.648 CV 1 ASSI { 64} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.326 ppm2 0.287 CV 1 ASSI { 67} (( segid " " and resid 73 and name HB )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.918 ppm2 0.730 CV 1 OR { 67} (( segid " " and resid 73 and name HB )) ( segid " " and resid 94 and name HD1%) ASSI { 70} (( segid " " and resid 73 and name HB )) (( segid " " and resid 73 and name HA )) 6.000 4.500 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.908 ppm2 4.243 CV 1 ASSI { 72} (( segid " " and resid 73 and name HB )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.912 ppm2 1.043 CV 1 ASSI { 75} (( segid " " and resid 18 and name HA )) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.325 ppm2 0.788 CV 1 ASSI { 78} (( segid " " and resid 73 and name HA )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.240 ppm2 1.042 CV 1 ASSI { 79} (( segid " " and resid 73 and name HA )) ( segid " " and resid 96 and name HD2%) 6.000 4.500 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.237 ppm2 0.948 CV 1 OR { 79} (( segid " " and resid 73 and name HA )) ( segid " " and resid 96 and name HD1%) OR { 79} (( segid " " and resid 73 and name HA )) (( segid " " and resid 96 and name HB2 )) ASSI { 82} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.344 ppm2 8.729 CV 1 ASSI { 84} (( segid " " and resid 66 and name HA )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.345 ppm2 7.216 CV 1 ASSI { 86} (( segid " " and resid 66 and name HA )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.342 ppm2 2.194 CV 1 ASSI { 88} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.343 ppm2 1.258 CV 1 ASSI { 89} (( segid " " and resid 66 and name HA )) (( segid " " and resid 69 and name HG )) 6.000 4.500 0.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.344 ppm2 0.997 CV 1 ASSI { 90} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.344 ppm2 0.520 CV 1 ASSI { 96} (( segid " " and resid 66 and name HA )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.338 ppm2 1.413 CV 1 ASSI { 100} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB1 )) 6.000 4.500 0.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.482 ppm2 2.396 CV 1 ASSI { 103} (( segid " " and resid 127 and name HA )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.442 ppm2 6.792 CV 1 ASSI { 104} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB1 )) 6.000 4.500 0.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.442 ppm2 2.609 CV 1 ASSI { 105} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.442 ppm2 1.447 CV 1 ASSI { 115} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.747 ppm2 0.864 CV 1 ASSI { 119} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HB2 )) 6.000 4.500 0.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.673 ppm2 3.164 CV 1 ASSI { 120} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.188 ppm2 0.773 CV 1 ASSI { 123} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB2 )) 6.000 6.000 0.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.180 ppm2 1.268 CV 1 OR { 123} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB1 )) ASSI { 127} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.171 ppm2 0.650 CV 1 ASSI { 132} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB2 )) 6.000 4.500 0.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.481 ppm2 1.831 CV 1 ASSI { 134} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB )) 6.000 4.500 0.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.759 ppm2 1.884 CV 1 ASSI { 137} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HG1 )) 6.000 4.500 0.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.748 ppm2 2.471 CV 1 ASSI { 138} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG12)) 6.000 4.500 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.752 ppm2 2.095 CV 1 OR { 138} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG11)) ASSI { 142} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.743 ppm2 8.295 CV 1 ASSI { 144} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.644 ppm2 8.277 CV 1 ASSI { 146} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.636 ppm2 7.426 CV 1 ASSI { 149} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 1.589 CV 1 ASSI { 150} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HG12)) 6.000 4.500 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 0.965 CV 1 ASSI { 151} (( segid " " and resid 146 and name HA )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.636 ppm2 0.750 CV 1 ASSI { 156} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.635 ppm2 1.797 CV 1 ASSI { 158} (( segid " " and resid 146 and name HA )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 0.476 CV 1 ASSI { 161} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HB1 )) 6.000 4.500 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.298 ppm2 1.458 CV 1 ASSI { 162} (( segid " " and resid 14 and name HA )) (( segid " " and resid 11 and name HB2 )) 6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.298 ppm2 1.271 CV 1 OR { 162} (( segid " " and resid 14 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 168} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HD2 )) 6.000 4.500 0.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.138 ppm2 3.388 CV 1 ASSI { 169} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HD1 )) 6.000 4.500 0.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.137 ppm2 3.116 CV 1 ASSI { 171} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB1 )) 6.000 4.500 0.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.140 ppm2 1.591 CV 1 ASSI { 172} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) 6.000 4.500 0.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.137 ppm2 1.495 CV 1 ASSI { 174} (( segid " " and resid 133 and name HA )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.135 ppm2 7.210 CV 1 ASSI { 175} (( segid " " and resid 133 and name HA )) (( segid " " and resid 129 and name HA )) 6.000 4.500 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.135 ppm2 3.876 CV 1 ASSI { 178} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.031 ppm2 8.289 CV 1 ASSI { 179} (( segid " " and resid 149 and name HA )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.028 ppm2 7.845 CV 1 ASSI { 186} (( segid " " and resid 14 and name HA )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.304 ppm2 0.893 CV 1 ASSI { 189} (( segid " " and resid 149 and name HA )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.031 ppm2 1.258 CV 1 ASSI { 195} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HD1 )) 6.000 4.500 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.426 ppm2 3.681 CV 1 OR { 195} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HD2 )) ASSI { 196} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG1 )) 6.000 4.500 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.423 ppm2 2.021 CV 1 OR { 196} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG2 )) ASSI { 198} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 6.000 4.500 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.422 ppm2 2.310 CV 1 ASSI { 202} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.068 ppm2 5.497 CV 1 OR { 202} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 62 and name HA )) ASSI { 203} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) 6.000 4.500 0.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.039 ppm2 4.961 CV 1 OR { 203} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HA )) ASSI { 204} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 30 and name HG1 )) 6.000 4.500 0.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.039 ppm2 2.112 CV 1 OR { 204} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 30 and name HG1 )) ASSI { 210} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.311 ppm2 3.906 CV 1 ASSI { 211} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) 6.000 4.500 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.309 ppm2 2.377 CV 1 ASSI { 212} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HG1 )) 6.000 4.500 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.311 ppm2 2.018 CV 1 OR { 212} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HG2 )) ASSI { 213} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB1 )) 6.000 4.500 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.308 ppm2 1.879 CV 1 ASSI { 220} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB )) 6.000 4.500 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.178 ppm2 2.092 CV 1 ASSI { 221} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HG12)) 6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.182 ppm2 1.870 CV 1 ASSI { 222} (( segid " " and resid 98 and name HA )) (( segid " " and resid 5 and name HG11)) 6.000 4.500 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.177 ppm2 1.075 CV 1 ASSI { 228} (( segid " " and resid 33 and name HA )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.869 ppm2 0.661 CV 1 ASSI { 230} (( segid " " and resid 112 and name HA )) (( segid " " and resid 107 and name HN )) 6.000 4.500 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.211 ppm2 9.199 CV 1 ASSI { 232} (( segid " " and resid 112 and name HA )) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.212 ppm2 1.848 CV 1 ASSI { 233} (( segid " " and resid 112 and name HA )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.211 ppm2 1.432 CV 1 ASSI { 235} (( segid " " and resid 112 and name HA )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.213 ppm2 0.888 CV 1 ASSI { 236} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HN )) 6.000 4.500 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.203 ppm2 9.707 CV 1 ASSI { 238} (( segid " " and resid 2 and name HA )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.215 ppm2 1.064 CV 1 ASSI { 241} (( segid " " and resid 2 and name HA )) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.209 ppm2 1.209 CV 1 ASSI { 242} (( segid " " and resid 2 and name HA )) ( segid " " and resid 2 and name HG2%) 6.000 4.500 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.214 ppm2 0.769 CV 1 ASSI { 243} (( segid " " and resid 2 and name HA )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.212 ppm2 0.517 CV 1 ASSI { 244} (( segid " " and resid 2 and name HA )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.213 ppm2 0.123 CV 1 ASSI { 248} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB )) 6.000 4.500 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 1.763 CV 1 ASSI { 249} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG12)) 6.000 4.500 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 1.560 CV 1 OR { 249} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG11)) ASSI { 250} (( segid " " and resid 33 and name HA )) (( segid " " and resid 60 and name HB2 )) 6.000 4.500 0.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 0.984 CV 1 ASSI { 251} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB2 )) 6.000 4.500 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.574 ppm2 2.251 CV 1 ASSI { 252} (( segid " " and resid 91 and name HA )) (( segid " " and resid 47 and name HB1 )) 6.000 4.500 0.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.572 ppm2 1.920 CV 1 ASSI { 255} (( segid " " and resid 51 and name HA )) (( segid " " and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.445 ppm2 2.189 CV 1 OR { 255} (( segid " " and resid 51 and name HA )) (( segid " " and resid 44 and name HB2 )) ASSI { 260} (( segid " " and resid 44 and name HA )) (( segid " " and resid 46 and name HN )) 6.000 4.500 0.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.376 ppm2 8.326 CV 1 ASSI { 261} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HN )) 6.000 4.500 0.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.376 ppm2 8.188 CV 1 ASSI { 262} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.376 ppm2 2.159 CV 1 OR { 262} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB2 )) ASSI { 266} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HD1 )) 6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.428 ppm2 4.168 CV 1 ASSI { 269} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HD2 )) 6.000 4.500 0.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.421 ppm2 3.650 CV 1 ASSI { 270} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB2 )) 6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.425 ppm2 2.835 CV 1 ASSI { 271} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB1 )) 6.000 4.500 0.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.424 ppm2 2.061 CV 1 ASSI { 273} (( segid " " and resid 114 and name HA )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.424 ppm2 0.861 CV 1 ASSI { 274} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HG1 )) 6.000 4.500 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.411 ppm2 2.455 CV 1 ASSI { 276} (( segid " " and resid 93 and name HA )) ( segid " " and resid 93 and name HG2%) 6.000 4.500 0.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.416 ppm2 1.151 CV 1 ASSI { 279} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HG2 )) 6.000 4.500 0.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.373 ppm2 1.941 CV 1 ASSI { 280} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HB2 )) 6.000 4.500 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.376 ppm2 1.587 CV 1 OR { 280} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HB1 )) ASSI { 291} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB1 )) 6.000 4.500 0.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.866 ppm2 2.796 CV 1 ASSI { 292} (( segid " " and resid 158 and name HA )) (( segid " " and resid 41 and name HB2 )) 6.000 4.500 0.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.864 ppm2 1.675 CV 1 OR { 292} (( segid " " and resid 158 and name HA )) (( segid " " and resid 41 and name HB1 )) ASSI { 299} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HA )) 6.000 4.500 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.606 ppm2 4.278 CV 1 ASSI { 302} (( segid " " and resid 1 and name HA )) ( segid " " and resid 2 and name HG2%) 6.000 6.000 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.603 ppm2 0.755 CV 1 ASSI { 303} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.605 ppm2 0.510 CV 1 ASSI { 304} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.602 ppm2 2.906 CV 1 ASSI { 307} (( segid " " and resid 105 and name HA )) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.661 ppm2 1.023 CV 1 OR { 307} (( segid " " and resid 105 and name HA )) ( segid " " and resid 105 and name HG2%) ASSI { 308} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 6.000 4.500 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.304 ppm2 8.701 CV 1 ASSI { 310} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB )) 6.000 4.500 0.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.304 ppm2 2.055 CV 1 ASSI { 311} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HG1%) 6.000 4.500 0.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.305 ppm2 0.962 CV 1 OR { 311} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HG2%) ASSI { 313} (( segid " " and resid 158 and name HA )) (( segid " " and resid 41 and name HG1 )) 6.000 4.500 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.863 ppm2 1.123 CV 1 ASSI { 317} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB2 )) 6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.862 ppm2 3.118 CV 1 ASSI { 318} (( segid " " and resid 158 and name HA )) (( segid " " and resid 41 and name HG2 )) 6.000 4.500 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.858 ppm2 1.493 CV 1 ASSI { 319} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HN )) 6.000 4.500 0.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.749 ppm2 9.441 CV 1 ASSI { 320} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HA )) 6.000 4.500 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.756 ppm2 4.277 CV 1 ASSI { 323} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 157 and name HG1 )) 6.000 4.500 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.609 ppm2 1.554 CV 1 ASSI { 325} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HB2 )) 6.000 4.500 0.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.596 ppm2 3.735 CV 1 ASSI { 327} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB )) 6.000 4.500 0.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.481 ppm2 2.138 CV 1 ASSI { 328} (( segid " " and resid 131 and name HA )) ( segid " " and resid 35 and name HG2%) 6.000 4.500 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.479 ppm2 1.231 CV 1 ASSI { 332} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.752 ppm2 1.542 CV 1 ASSI { 333} (( segid " " and resid 43 and name HA )) (( segid " " and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.103 ppm2 3.728 CV 1 ASSI { 334} (( segid " " and resid 43 and name HA )) (( segid " " and resid 44 and name HD1 )) 6.000 4.500 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.090 ppm2 3.942 CV 1 ASSI { 335} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.096 ppm2 2.491 CV 1 ASSI { 339} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HG2%) 6.000 4.500 0.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.594 ppm2 1.235 CV 1 ASSI { 345} (( segid " " and resid 136 and name HA )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.497 ppm2 1.019 CV 1 OR { 345} (( segid " " and resid 136 and name HA )) ( segid " " and resid 136 and name HG1%) ASSI { 351} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 6.000 4.500 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.384 ppm2 7.710 CV 1 ASSI { 352} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.390 ppm2 3.421 CV 1 ASSI { 353} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 6.000 4.500 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.388 ppm2 2.939 CV 1 ASSI { 354} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.388 ppm2 2.274 CV 1 ASSI { 355} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.391 ppm2 1.896 CV 1 ASSI { 359} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.755 ppm2 2.735 CV 1 ASSI { 360} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG12)) 6.000 4.500 0.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.751 ppm2 2.034 CV 1 OR { 360} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG11)) ASSI { 362} (( segid " " and resid 28 and name HA )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.752 ppm2 0.599 CV 1 ASSI { 363} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB )) 6.000 4.500 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.495 ppm2 1.931 CV 1 ASSI { 364} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.293 ppm2 1.409 CV 1 ASSI { 365} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HG12)) 6.000 4.500 0.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.296 ppm2 1.041 CV 1 OR { 365} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HG11)) ASSI { 366} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.290 ppm2 0.913 CV 1 ASSI { 369} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HG1 )) 6.000 4.500 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.685 ppm2 2.042 CV 1 ASSI { 371} (( segid " " and resid 77 and name HA )) (( segid " " and resid 94 and name HB2 )) 6.000 4.500 0.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.687 ppm2 1.403 CV 1 ASSI { 373} (( segid " " and resid 77 and name HA )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.684 ppm2 0.733 CV 1 OR { 373} (( segid " " and resid 77 and name HA )) ( segid " " and resid 94 and name HD1%) ASSI { 376} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HG2 )) 6.000 4.500 0.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.680 ppm2 2.837 CV 1 ASSI { 377} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) 6.000 4.500 0.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.680 ppm2 2.591 CV 1 ASSI { 378} (( segid " " and resid 77 and name HA )) (( segid " " and resid 94 and name HB1 )) 6.000 4.500 0.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.677 ppm2 1.720 CV 1 ASSI { 381} (( segid " " and resid 62 and name HA )) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.497 ppm2 8.972 CV 1 ASSI { 384} (( segid " " and resid 62 and name HA )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.502 ppm2 5.909 CV 1 ASSI { 386} (( segid " " and resid 62 and name HA )) (( segid " " and resid 31 and name HB1 )) 6.000 4.500 0.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.499 ppm2 3.579 CV 1 OR { 386} (( segid " " and resid 62 and name HA )) (( segid " " and resid 31 and name HB2 )) ASSI { 388} (( segid " " and resid 62 and name HA )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.500 ppm2 1.075 CV 1 ASSI { 390} (( segid " " and resid 106 and name HA )) (( segid " " and resid 107 and name HB2 )) 6.000 4.500 0.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.298 ppm2 2.676 CV 1 OR { 390} (( segid " " and resid 106 and name HA )) (( segid " " and resid 107 and name HB1 )) ASSI { 391} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HN )) 6.000 4.500 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.291 ppm2 9.411 CV 1 ASSI { 393} (( segid " " and resid 106 and name HA )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.289 ppm2 1.180 CV 1 ASSI { 394} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.292 ppm2 0.618 CV 1 ASSI { 398} (( segid " " and resid 116 and name HA )) ( segid " " and resid 116 and name HD% ) 6.000 4.500 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.167 ppm2 6.675 CV 1 ASSI { 399} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB1 )) 6.000 4.500 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.163 ppm2 3.061 CV 1 ASSI { 400} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB2 )) 6.000 4.500 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.165 ppm2 2.931 CV 1 ASSI { 401} (( segid " " and resid 116 and name HA )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.165 ppm2 1.438 CV 1 ASSI { 404} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB2 )) 6.000 4.500 0.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.866 ppm2 3.160 CV 1 ASSI { 405} (( segid " " and resid 129 and name HA )) (( segid " " and resid 132 and name HN )) 6.000 4.500 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.858 ppm2 8.313 CV 1 ASSI { 406} (( segid " " and resid 129 and name HA )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.862 ppm2 7.198 CV 1 ASSI { 407} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.860 ppm2 2.897 CV 1 ASSI { 411} (( segid " " and resid 118 and name HA )) (( segid " " and resid 121 and name HD2 )) 6.000 4.500 0.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.828 ppm2 2.428 CV 1 ASSI { 412} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.828 ppm2 2.136 CV 1 ASSI { 413} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.831 ppm2 1.958 CV 1 ASSI { 417} (( segid " " and resid 118 and name HA )) (( segid " " and resid 120 and name HB1 )) 6.000 6.000 0.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.818 ppm2 2.521 CV 1 ASSI { 421} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.283 ppm2 3.310 CV 1 ASSI { 422} (( segid " " and resid 16 and name HA )) (( segid " " and resid 15 and name HG )) 6.000 4.500 0.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.077 ppm2 0.944 CV 1 ASSI { 423} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.065 ppm2 8.509 CV 1 ASSI { 427} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.064 ppm2 7.389 CV 1 ASSI { 429} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HB1 )) 6.000 4.500 0.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.067 ppm2 2.880 CV 1 ASSI { 430} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HB2 )) 6.000 4.500 0.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.065 ppm2 2.684 CV 1 ASSI { 431} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG1 )) 6.000 4.500 0.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.063 ppm2 2.319 CV 1 ASSI { 439} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.125 ppm2 2.285 CV 1 ASSI { 442} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB1 )) 6.000 4.500 0.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.121 ppm2 1.858 CV 1 ASSI { 443} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HG1 )) 6.000 4.500 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.121 ppm2 1.667 CV 1 ASSI { 446} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HG2 )) 6.000 4.500 0.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.022 ppm2 2.291 CV 1 ASSI { 449} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) 6.000 4.500 0.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.016 ppm2 2.019 CV 1 OR { 449} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB1 )) ASSI { 453} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.633 ppm2 8.718 CV 1 ASSI { 454} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HN )) 6.000 4.500 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.635 ppm2 7.800 CV 1 ASSI { 455} (( segid " " and resid 67 and name HA )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.630 ppm2 7.669 CV 1 ASSI { 457} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) 6.000 4.500 0.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 2.137 CV 1 ASSI { 458} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 1.832 CV 1 OR { 458} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) ASSI { 459} (( segid " " and resid 67 and name HA )) (( segid " " and resid 110 and name HB1 )) 6.000 4.500 0.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.630 ppm2 1.396 CV 1 ASSI { 461} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.633 ppm2 0.990 CV 1 ASSI { 463} (( segid " " and resid 67 and name HA )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.632 ppm2 0.446 CV 1 ASSI { 465} (( segid " " and resid 67 and name HA )) (( segid " " and resid 110 and name HB2 )) 6.000 4.500 0.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.626 ppm2 1.602 CV 1 ASSI { 467} (( segid " " and resid 144 and name HA )) (( segid " " and resid 125 and name HN )) 6.000 4.500 0.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.514 ppm2 7.455 CV 1 ASSI { 468} (( segid " " and resid 144 and name HA )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.516 ppm2 7.232 CV 1 ASSI { 470} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.513 ppm2 1.791 CV 1 ASSI { 472} (( segid " " and resid 144 and name HA )) ( segid " " and resid 147 and name HD1%) 6.000 4.500 0.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.511 ppm2 -0.481 CV 1 ASSI { 479} (( segid " " and resid 113 and name HA )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.309 ppm2 1.141 CV 1 ASSI { 480} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HN )) 6.000 4.500 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.304 ppm2 9.362 CV 1 ASSI { 482} (( segid " " and resid 113 and name HA )) (( segid " " and resid 114 and name HA )) 6.000 4.500 0.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.304 ppm2 5.429 CV 1 ASSI { 498} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.974 ppm2 7.892 CV 1 ASSI { 499} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.972 ppm2 7.749 CV 1 ASSI { 500} (( segid " " and resid 23 and name HA )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.978 ppm2 7.580 CV 1 ASSI { 501} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB1 )) 6.000 4.500 0.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.974 ppm2 1.944 CV 1 OR { 501} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB2 )) ASSI { 502} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HD2 )) 6.000 4.500 0.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.970 ppm2 1.677 CV 1 OR { 502} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HD1 )) ASSI { 503} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HG2 )) 6.000 4.500 0.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.971 ppm2 1.521 CV 1 ASSI { 509} (( segid " " and resid 119 and name HA )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.789 ppm2 0.736 CV 1 ASSI { 511} (( segid " " and resid 119 and name HA )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.789 ppm2 0.322 CV 1 ASSI { 512} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB2 )) 6.000 4.500 0.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.776 ppm2 1.661 CV 1 ASSI { 513} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB1 )) 6.000 4.500 0.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.783 ppm2 1.460 CV 1 ASSI { 526} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB2 )) 6.000 4.500 0.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.558 ppm2 2.979 CV 1 ASSI { 527} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HG2 )) 6.000 4.500 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.298 ppm2 2.007 CV 1 OR { 527} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HG1 )) ASSI { 528} (( segid " " and resid 137 and name HA )) ( segid " " and resid 136 and name HG1%) 6.000 4.500 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.295 ppm2 1.039 CV 1 OR { 528} (( segid " " and resid 137 and name HA )) ( segid " " and resid 136 and name HG2%) ASSI { 536} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HN )) 6.000 4.500 0.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.080 ppm2 8.432 CV 1 ASSI { 538} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HB1 )) 6.000 4.500 0.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.082 ppm2 1.326 CV 1 ASSI { 541} (( segid " " and resid 143 and name HA )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.073 ppm2 0.351 CV 1 ASSI { 542} (( segid " " and resid 143 and name HA )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.071 ppm2 7.426 CV 1 ASSI { 544} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HN )) 6.000 4.500 0.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.876 ppm2 7.603 CV 1 ASSI { 545} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HG1 )) 6.000 4.500 0.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.879 ppm2 2.553 CV 1 ASSI { 546} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.880 ppm2 2.284 CV 1 OR { 546} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HG2 )) ASSI { 548} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HE1 )) 6.000 4.500 0.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.771 ppm2 2.273 CV 1 ASSI { 552} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.147 ppm2 7.132 CV 1 ASSI { 553} (( segid " " and resid 148 and name HA )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.443 ppm2 8.285 CV 1 ASSI { 556} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB1 )) 6.000 4.500 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.442 ppm2 3.209 CV 1 ASSI { 560} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.291 ppm2 3.243 CV 1 ASSI { 561} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.170 ppm2 7.209 CV 1 ASSI { 562} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.170 ppm2 3.396 CV 1 ASSI { 563} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.171 ppm2 1.298 CV 1 ASSI { 564} (( segid " " and resid 69 and name HA )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 0.933 CV 1 OR { 564} (( segid " " and resid 69 and name HA )) ( segid " " and resid 69 and name HD2%) ASSI { 565} (( segid " " and resid 69 and name HA )) ( segid " " and resid 64 and name HD1%) 6.000 4.500 0.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.165 ppm2 0.711 CV 1 OR { 565} (( segid " " and resid 69 and name HA )) ( segid " " and resid 64 and name HD2%) ASSI { 566} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.160 ppm2 8.158 CV 1 ASSI { 572} (( segid " " and resid 143 and name HA )) (( segid " " and resid 142 and name HB1 )) 6.000 4.500 0.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.088 ppm2 2.086 CV 1 ASSI { 573} (( segid " " and resid 143 and name HA )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.090 ppm2 2.019 CV 1 ASSI { 576} (( segid " " and resid 130 and name HA )) (( segid " " and resid 131 and name HN )) 6.000 4.500 0.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.871 ppm2 6.909 CV 1 ASSI { 579} (( segid " " and resid 124 and name HA )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.407 ppm2 1.397 CV 1 ASSI { 580} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB1 )) 6.000 4.500 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.391 ppm2 2.127 CV 1 OR { 580} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB2 )) OR { 580} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HG2 )) OR { 580} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HG1 )) ASSI { 588} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG1 )) 6.000 4.500 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.164 ppm2 2.463 CV 1 ASSI { 589} (( segid " " and resid 69 and name HA )) (( segid " " and resid 68 and name HB1 )) 6.000 4.500 0.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.165 ppm2 2.152 CV 1 ASSI { 590} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HN )) 6.000 4.500 0.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.159 ppm2 8.597 CV 1 ASSI { 592} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG2 )) 6.000 4.500 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.157 ppm2 2.612 CV 1 ASSI { 593} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HG )) 6.000 4.500 0.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.959 ppm2 1.847 CV 1 ASSI { 595} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) 6.000 4.500 0.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.951 ppm2 8.557 CV 1 ASSI { 596} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.954 ppm2 2.100 CV 1 ASSI { 597} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) 6.000 4.500 0.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.949 ppm2 1.450 CV 1 ASSI { 598} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.951 ppm2 1.227 CV 1 ASSI { 599} (( segid " " and resid 22 and name HA )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.951 ppm2 1.091 CV 1 ASSI { 600} (( segid " " and resid 101 and name HA )) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.533 ppm2 1.209 CV 1 ASSI { 601} (( segid " " and resid 68 and name HA )) (( segid " " and resid 70 and name HN )) 6.000 4.500 0.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.328 ppm2 7.837 CV 1 ASSI { 602} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HD22)) 6.000 4.500 0.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.319 ppm2 7.429 CV 1 ASSI { 604} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HB2 )) 6.000 4.500 0.000 peak 604 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.324 ppm2 3.056 CV 1 ASSI { 605} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.326 ppm2 2.582 CV 1 ASSI { 606} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.315 ppm2 7.684 CV 1 ASSI { 607} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HD21)) 6.000 4.500 0.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.318 ppm2 7.181 CV 1 ASSI { 608} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HG2 )) 6.000 4.500 0.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.318 ppm2 2.389 CV 1 OR { 608} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HG1 )) ASSI { 609} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB2 )) 6.000 4.500 0.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.310 ppm2 2.250 CV 1 ASSI { 610} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB1 )) 6.000 4.500 0.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.316 ppm2 2.169 CV 1 ASSI { 613} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB1 )) 6.000 4.500 0.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.233 ppm2 2.250 CV 1 ASSI { 616} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HN )) 6.000 4.500 0.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.947 ppm2 8.991 CV 1 ASSI { 617} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HN )) 6.000 4.500 0.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.830 ppm2 8.403 CV 1 ASSI { 619} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB1 )) 6.000 4.500 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.530 ppm2 3.322 CV 1 ASSI { 624} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB1 )) 6.000 4.500 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.331 ppm2 2.912 CV 1 ASSI { 629} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HD1%) 6.000 4.500 0.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.057 ppm2 0.792 CV 1 OR { 629} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HD2%) ASSI { 631} (( segid " " and resid 25 and name HA )) (( segid " " and resid 28 and name HN )) 6.000 4.500 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 7.123 CV 1 ASSI { 634} (( segid " " and resid 135 and name HA )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.831 ppm2 8.271 CV 1 ASSI { 637} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.830 ppm2 1.742 CV 1 ASSI { 638} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HG )) 6.000 4.500 0.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.835 ppm2 1.209 CV 1 ASSI { 640} (( segid " " and resid 135 and name HA )) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.829 ppm2 0.082 CV 1 ASSI { 644} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.672 ppm2 1.073 CV 1 ASSI { 645} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HG )) 6.000 4.500 0.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.673 ppm2 0.868 CV 1 ASSI { 646} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB1 )) 6.000 4.500 0.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.675 ppm2 0.695 CV 1 ASSI { 647} (( segid " " and resid 147 and name HA )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.673 ppm2 -0.563 CV 1 ASSI { 650} (( segid " " and resid 31 and name HA )) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.941 ppm2 3.811 CV 1 ASSI { 652} (( segid " " and resid 31 and name HA )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.940 ppm2 1.520 CV 1 ASSI { 653} (( segid " " and resid 31 and name HA )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.942 ppm2 1.079 CV 1 ASSI { 658} (( segid " " and resid 31 and name HA )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.929 ppm2 1.268 CV 1 ASSI { 664} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB1 )) 6.000 4.500 0.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.281 ppm2 1.752 CV 1 ASSI { 668} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.272 ppm2 2.800 CV 1 ASSI { 669} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.273 ppm2 2.035 CV 1 ASSI { 670} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB2 )) 6.000 4.500 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.274 ppm2 1.848 CV 1 ASSI { 672} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.246 ppm2 2.154 CV 1 ASSI { 673} (( segid " " and resid 104 and name HA )) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.245 ppm2 1.016 CV 1 OR { 673} (( segid " " and resid 104 and name HA )) ( segid " " and resid 105 and name HG1%) ASSI { 675} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.201 ppm2 0.914 CV 1 ASSI { 680} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB2 )) 6.000 4.500 0.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.062 ppm2 1.540 CV 1 ASSI { 682} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB1 )) 6.000 4.500 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.054 ppm2 1.849 CV 1 ASSI { 686} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HN )) 6.000 4.500 0.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.820 ppm2 7.483 CV 1 ASSI { 688} (( segid " " and resid 128 and name HA )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.818 ppm2 1.480 CV 1 ASSI { 690} (( segid " " and resid 125 and name HA )) ( segid " " and resid 128 and name HD2%) 6.000 4.500 0.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.816 ppm2 0.567 CV 1 OR { 690} (( segid " " and resid 125 and name HA )) ( segid " " and resid 128 and name HD1%) ASSI { 691} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.817 ppm2 0.447 CV 1 ASSI { 694} (( segid " " and resid 147 and name HA )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.677 ppm2 0.319 CV 1 ASSI { 698} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.610 ppm2 6.821 CV 1 ASSI { 703} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB1 )) 6.000 4.500 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.603 ppm2 2.721 CV 1 OR { 703} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) ASSI { 706} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HG12)) 6.000 4.500 0.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.600 ppm2 1.545 CV 1 ASSI { 707} (( segid " " and resid 4 and name HA )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.595 ppm2 1.230 CV 1 ASSI { 713} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB2 )) 6.000 4.500 0.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.217 ppm2 1.627 CV 1 ASSI { 714} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG2 )) 6.000 4.500 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.216 ppm2 1.484 CV 1 ASSI { 715} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB1 )) 6.000 4.500 0.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.219 ppm2 1.355 CV 1 ASSI { 716} (( segid " " and resid 110 and name HA )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.218 ppm2 0.451 CV 1 ASSI { 721} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB1 )) 6.000 4.500 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.903 ppm2 2.390 CV 1 ASSI { 725} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.806 ppm2 0.279 CV 1 ASSI { 728} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB1 )) 6.000 4.500 0.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.555 ppm2 2.870 CV 1 ASSI { 729} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) 6.000 4.500 0.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.564 ppm2 2.672 CV 1 ASSI { 730} (( segid " " and resid 19 and name HA )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.553 ppm2 2.077 CV 1 ASSI { 732} (( segid " " and resid 19 and name HA )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.550 ppm2 0.294 CV 1 ASSI { 736} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HG1 )) 6.000 4.500 0.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.067 ppm2 2.194 CV 1 ASSI { 737} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB1 )) 6.000 4.500 0.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.069 ppm2 2.011 CV 1 ASSI { 739} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HG1 )) 6.000 4.500 0.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.905 ppm2 2.105 CV 1 ASSI { 740} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 6.000 4.500 0.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.909 ppm2 2.019 CV 1 ASSI { 752} (( segid " " and resid 70 and name HA )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.559 ppm2 1.327 CV 1 ASSI { 753} (( segid " " and resid 70 and name HA )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.549 ppm2 0.688 CV 1 ASSI { 755} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.466 ppm2 1.954 CV 1 ASSI { 756} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HG2 )) 6.000 4.500 0.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.464 ppm2 1.177 CV 1 ASSI { 758} (( segid " " and resid 157 and name HA )) (( segid " " and resid 40 and name HA )) 6.000 4.500 0.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.457 ppm2 5.156 CV 1 ASSI { 764} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.549 ppm2 1.839 CV 1 ASSI { 768} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) 6.000 4.500 0.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.491 ppm2 1.611 CV 1 ASSI { 769} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.491 ppm2 1.550 CV 1 ASSI { 773} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG1 )) 6.000 4.500 0.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.322 ppm2 1.232 CV 1 ASSI { 774} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HD22)) 6.000 4.500 0.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.301 ppm2 7.428 CV 1 ASSI { 775} (( segid " " and resid 71 and name HA )) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.300 ppm2 1.010 CV 1 ASSI { 778} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HN )) 6.000 4.500 0.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.287 ppm2 8.881 CV 1 ASSI { 779} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.287 ppm2 7.681 CV 1 ASSI { 780} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HD21)) 6.000 4.500 0.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.288 ppm2 7.192 CV 1 ASSI { 782} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 6.000 4.500 0.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.285 ppm2 3.034 CV 1 ASSI { 783} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.287 ppm2 2.587 CV 1 ASSI { 784} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.283 ppm2 1.903 CV 1 ASSI { 785} (( segid " " and resid 71 and name HA )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.287 ppm2 1.846 CV 1 ASSI { 786} (( segid " " and resid 71 and name HA )) (( segid " " and resid 110 and name HG1 )) 6.000 4.500 0.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.285 ppm2 1.782 CV 1 ASSI { 788} (( segid " " and resid 48 and name HA )) (( segid " " and resid 46 and name HN )) 6.000 4.500 0.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.235 ppm2 8.338 CV 1 ASSI { 789} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HG1 )) 6.000 4.500 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.235 ppm2 2.403 CV 1 OR { 789} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HG2 )) ASSI { 790} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB1 )) 6.000 4.500 0.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.233 ppm2 2.238 CV 1 ASSI { 791} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB2 )) 6.000 4.500 0.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.235 ppm2 2.004 CV 1 ASSI { 797} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 6.000 4.500 0.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.324 ppm2 8.700 CV 1 ASSI { 798} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 6.000 4.500 0.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.327 ppm2 1.301 CV 1 ASSI { 803} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB2 )) 6.000 4.500 0.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.595 ppm2 2.293 CV 1 OR { 803} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB1 )) ASSI { 807} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.023 ppm2 7.841 CV 1 ASSI { 808} (( segid " " and resid 150 and name HA )) (( segid " " and resid 151 and name HN )) 6.000 4.500 0.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.022 ppm2 7.548 CV 1 ASSI { 809} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HD1 )) 6.000 4.500 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.022 ppm2 3.096 CV 1 ASSI { 810} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HD2 )) 6.000 4.500 0.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.025 ppm2 2.950 CV 1 ASSI { 811} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.023 ppm2 1.257 CV 1 ASSI { 812} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB2 )) 6.000 4.500 0.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.023 ppm2 0.900 CV 1 ASSI { 823} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HD1 )) 6.000 4.500 0.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.181 ppm2 1.668 CV 1 OR { 823} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HD2 )) ASSI { 829} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 6.000 4.500 0.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.960 ppm2 8.591 CV 1 ASSI { 830} (( segid " " and resid 21 and name HA )) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.961 ppm2 7.890 CV 1 ASSI { 831} (( segid " " and resid 21 and name HA )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.960 ppm2 7.766 CV 1 ASSI { 833} (( segid " " and resid 21 and name HA )) (( segid " " and resid 76 and name HG11)) 6.000 4.500 0.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.957 ppm2 2.103 CV 1 OR { 833} (( segid " " and resid 21 and name HA )) (( segid " " and resid 76 and name HG12)) ASSI { 834} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HB% ) 6.000 4.500 0.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.962 ppm2 1.462 CV 1 ASSI { 835} (( segid " " and resid 21 and name HA )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.960 ppm2 0.855 CV 1 ASSI { 836} (( segid " " and resid 21 and name HA )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.961 ppm2 0.740 CV 1 OR { 836} (( segid " " and resid 21 and name HA )) ( segid " " and resid 94 and name HD1%) ASSI { 837} (( segid " " and resid 21 and name HA )) (( segid " " and resid 76 and name HB )) 6.000 4.500 0.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.953 ppm2 1.908 CV 1 ASSI { 841} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 6.000 4.500 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.756 ppm2 1.687 CV 1 OR { 841} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB1 )) ASSI { 842} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HN )) 6.000 4.500 0.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.748 ppm2 9.591 CV 1 ASSI { 847} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) 6.000 4.500 0.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.365 ppm2 0.945 CV 1 ASSI { 851} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.354 ppm2 0.601 CV 1 ASSI { 852} (( segid " " and resid 54 and name HA )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.353 ppm2 0.174 CV 1 ASSI { 853} (( segid " " and resid 54 and name HA )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.357 ppm2 -0.529 CV 1 ASSI { 855} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 6.000 4.500 0.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.707 ppm2 9.218 CV 1 ASSI { 857} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB2 )) 6.000 4.500 0.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.569 ppm2 2.739 CV 1 ASSI { 858} (( segid " " and resid 153 and name HA )) (( segid " " and resid 154 and name HB2 )) 6.000 4.500 0.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.572 ppm2 1.363 CV 1 OR { 858} (( segid " " and resid 153 and name HA )) (( segid " " and resid 154 and name HB1 )) ASSI { 859} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB1 )) 6.000 4.500 0.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.565 ppm2 2.588 CV 1 ASSI { 860} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HN )) 6.000 4.500 0.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.544 ppm2 8.730 CV 1 ASSI { 861} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 6.000 4.500 0.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.542 ppm2 2.450 CV 1 ASSI { 864} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) 6.000 4.500 0.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.426 ppm2 8.192 CV 1 ASSI { 866} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HD2%) 6.000 4.500 0.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.431 ppm2 0.856 CV 1 ASSI { 871} (( segid " " and resid 64 and name HA )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.222 ppm2 2.217 CV 1 ASSI { 872} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.216 ppm2 0.742 CV 1 ASSI { 874} (( segid " " and resid 20 and name HA )) (( segid " " and resid 80 and name HB2 )) 6.000 4.500 0.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.186 ppm2 2.286 CV 1 OR { 874} (( segid " " and resid 20 and name HA )) (( segid " " and resid 80 and name HB1 )) ASSI { 880} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.227 ppm2 0.881 CV 1 ASSI { 883} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB2 )) 6.000 4.500 0.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.544 ppm2 2.301 CV 1 OR { 883} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HG2 )) ASSI { 884} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HG1 )) 6.000 4.500 0.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.543 ppm2 2.106 CV 1 ASSI { 885} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.541 ppm2 1.739 CV 1 ASSI { 888} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB1 )) 6.000 4.500 0.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.597 ppm2 2.631 CV 1 ASSI { 889} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB2 )) 6.000 4.500 0.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.597 ppm2 2.736 CV 1 ASSI { 890} (( segid " " and resid 155 and name HA )) (( segid " " and resid 41 and name HB1 )) 6.000 4.500 0.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.526 ppm2 1.670 CV 1 OR { 890} (( segid " " and resid 155 and name HA )) (( segid " " and resid 41 and name HB2 )) ASSI { 892} (( segid " " and resid 155 and name HA )) (( segid " " and resid 156 and name HB2 )) 6.000 4.500 0.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.508 ppm2 2.738 CV 1 ASSI { 893} (( segid " " and resid 139 and name HA )) (( segid " " and resid 140 and name HN )) 6.000 4.500 0.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.492 ppm2 8.362 CV 1 ASSI { 894} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HN )) 6.000 4.500 0.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.496 ppm2 7.481 CV 1 ASSI { 895} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.495 ppm2 3.020 CV 1 ASSI { 896} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.492 ppm2 2.584 CV 1 ASSI { 900} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB1 )) 6.000 4.500 0.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.284 ppm2 0.957 CV 1 ASSI { 902} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB2 )) 6.000 4.500 0.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.274 ppm2 -0.386 CV 1 ASSI { 907} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HB% ) 6.000 4.500 0.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.026 ppm2 1.410 CV 1 ASSI { 911} (( segid " " and resid 111 and name HA )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.893 ppm2 0.335 CV 1 ASSI { 912} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.886 ppm2 1.320 CV 1 ASSI { 913} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.887 ppm2 0.897 CV 1 ASSI { 915} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB1 )) 6.000 4.500 0.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.376 ppm2 2.810 CV 1 ASSI { 916} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.372 ppm2 6.963 CV 1 ASSI { 917} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 917 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.367 ppm2 3.317 CV 1 ASSI { 918} (( segid " " and resid 39 and name HA )) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.368 ppm2 1.456 CV 1 ASSI { 922} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.512 ppm2 0.913 CV 1 ASSI { 924} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HG2 )) 6.000 4.500 0.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.277 ppm2 1.076 CV 1 ASSI { 928} (( segid " " and resid 55 and name HA )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 928 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.131 ppm2 3.753 CV 1 ASSI { 930} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 6.000 4.500 0.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.126 ppm2 3.156 CV 1 ASSI { 931} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 6.000 4.500 0.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.125 ppm2 2.412 CV 1 ASSI { 941} (( segid " " and resid 107 and name HA )) (( segid " " and resid 112 and name HA )) 6.000 4.500 0.000 peak 941 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.498 ppm2 5.215 CV 1 ASSI { 942} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB1 )) 6.000 4.500 0.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.499 ppm2 2.698 CV 1 ASSI { 943} (( segid " " and resid 107 and name HA )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 943 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.499 ppm2 1.433 CV 1 ASSI { 944} (( segid " " and resid 107 and name HA )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.493 ppm2 1.197 CV 1 ASSI { 946} (( segid " " and resid 96 and name HA )) ( segid " " and resid 96 and name HD1%) 6.000 4.500 0.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.449 ppm2 0.933 CV 1 OR { 946} (( segid " " and resid 96 and name HA )) ( segid " " and resid 96 and name HD2%) ASSI { 947} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB1 )) 6.000 4.500 0.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.436 ppm2 2.069 CV 1 ASSI { 950} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HN )) 6.000 4.500 0.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.531 ppm2 8.835 CV 1 ASSI { 953} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB2 )) 6.000 4.500 0.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.526 ppm2 2.340 CV 1 ASSI { 954} (( segid " " and resid 151 and name HA )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.111 ppm2 7.840 CV 1 ASSI { 956} (( segid " " and resid 151 and name HA )) (( segid " " and resid 152 and name HN )) 6.000 4.500 0.000 peak 956 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.096 ppm2 7.248 CV 1 ASSI { 957} (( segid " " and resid 151 and name HA )) ( segid " " and resid 151 and name HB% ) 6.000 4.500 0.000 peak 957 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.095 ppm2 1.200 CV 1 ASSI { 959} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB1 )) 6.000 4.500 0.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.527 ppm2 2.520 CV 1 ASSI { 961} (( segid " " and resid 97 and name HA )) (( segid " " and resid 98 and name HG12)) 6.000 4.500 0.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.525 ppm2 1.888 CV 1 ASSI { 962} (( segid " " and resid 97 and name HA )) (( segid " " and resid 66 and name HG1 )) 6.000 6.000 0.000 peak 962 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.523 ppm2 0.759 CV 1 ASSI { 966} (( segid " " and resid 103 and name HA )) (( segid " " and resid 138 and name HB1 )) 6.000 4.500 0.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.175 ppm2 2.410 CV 1 ASSI { 967} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB1 )) 6.000 4.500 0.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.164 ppm2 2.985 CV 1 ASSI { 968} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB2 )) 6.000 4.500 0.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.165 ppm2 2.652 CV 1 ASSI { 970} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB1 )) 6.000 4.500 0.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.033 ppm2 0.850 CV 1 ASSI { 979} (( segid " " and resid 57 and name HA )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.656 ppm2 1.335 CV 1 ASSI { 980} (( segid " " and resid 57 and name HA )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.659 ppm2 0.959 CV 1 OR { 980} (( segid " " and resid 57 and name HA )) ( segid " " and resid 58 and name HG1%) ASSI { 982} (( segid " " and resid 6 and name HA )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 982 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.054 ppm2 1.749 CV 1 ASSI { 985} (( segid " " and resid 114 and name HD1 )) (( segid " " and resid 114 and name HD2 )) 6.000 4.500 0.000 peak 985 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.174 ppm2 3.667 CV 1 ASSI { 986} (( segid " " and resid 114 and name HD1 )) (( segid " " and resid 114 and name HG2 )) 6.000 4.500 0.000 peak 986 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.170 ppm2 2.014 CV 1 ASSI { 987} (( segid " " and resid 114 and name HD1 )) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.175 ppm2 1.019 CV 1 OR { 987} (( segid " " and resid 114 and name HD1 )) ( segid " " and resid 105 and name HG2%) ASSI { 988} (( segid " " and resid 114 and name HD1 )) (( segid " " and resid 114 and name HG1 )) 6.000 4.500 0.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.156 ppm2 2.429 CV 1 ASSI { 989} (( segid " " and resid 43 and name HD1 )) (( segid " " and resid 42 and name HA )) 6.000 4.500 0.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.832 ppm2 4.976 CV 1 OR { 989} (( segid " " and resid 43 and name HD2 )) (( segid " " and resid 42 and name HA )) ASSI { 991} (( segid " " and resid 43 and name HD2 )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.833 ppm2 2.480 CV 1 OR { 991} (( segid " " and resid 43 and name HD1 )) (( segid " " and resid 43 and name HB2 )) ASSI { 992} (( segid " " and resid 43 and name HD2 )) (( segid " " and resid 43 and name HG2 )) 6.000 4.500 0.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.830 ppm2 2.075 CV 1 OR { 992} (( segid " " and resid 43 and name HD1 )) (( segid " " and resid 43 and name HG2 )) ASSI { 993} (( segid " " and resid 43 and name HD2 )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.829 ppm2 1.239 CV 1 OR { 993} (( segid " " and resid 43 and name HD1 )) ( segid " " and resid 42 and name HG2%) ASSI { 996} (( segid " " and resid 114 and name HD2 )) (( segid " " and resid 114 and name HG1 )) 6.000 4.500 0.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.660 ppm2 2.440 CV 1 ASSI { 997} (( segid " " and resid 114 and name HD2 )) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.662 ppm2 1.021 CV 1 OR { 997} (( segid " " and resid 114 and name HD2 )) ( segid " " and resid 105 and name HG2%) ASSI { 999} (( segid " " and resid 138 and name HD1 )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.035 ppm2 3.269 CV 1 OR { 999} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 137 and name HB1 )) ASSI { 1000} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 141 and name HA )) 6.000 4.500 0.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.023 ppm2 4.278 CV 1 OR { 1000} (( segid " " and resid 138 and name HD1 )) (( segid " " and resid 141 and name HA )) ASSI { 1004} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 137 and name HB2 )) 6.000 4.500 0.000 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.005 ppm2 3.364 CV 1 OR { 1004} (( segid " " and resid 138 and name HD1 )) (( segid " " and resid 137 and name HB2 )) ASSI { 1006} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB1 )) 6.000 4.500 0.000 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.765 ppm2 2.321 CV 1 ASSI { 1010} (( segid " " and resid 29 and name HD2 )) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.636 ppm2 2.733 CV 1 ASSI { 1011} (( segid " " and resid 29 and name HD2 )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 1.532 CV 1 ASSI { 1012} (( segid " " and resid 29 and name HD2 )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.636 ppm2 0.595 CV 1 ASSI { 1013} (( segid " " and resid 29 and name HD2 )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.628 ppm2 0.751 CV 1 ASSI { 1015} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HB2 )) 6.000 4.500 0.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.538 ppm2 2.014 CV 1 ASSI { 1016} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HB1 )) 6.000 4.500 0.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.533 ppm2 2.317 CV 1 ASSI { 1017} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG1 )) 6.000 4.500 0.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.535 ppm2 1.877 CV 1 OR { 1017} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG2 )) ASSI { 1022} (( segid " " and resid 29 and name HD1 )) (( segid " " and resid 29 and name HG1 )) 6.000 4.500 0.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.735 ppm2 2.003 CV 1 OR { 1022} (( segid " " and resid 29 and name HD1 )) (( segid " " and resid 29 and name HG2 )) ASSI { 1024} (( segid " " and resid 29 and name HD1 )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.734 ppm2 0.598 CV 1 ASSI { 1027} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HD1 )) 6.000 4.500 0.000 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.595 ppm2 3.403 CV 1 ASSI { 1028} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) 6.000 4.500 0.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.586 ppm2 8.385 CV 1 ASSI { 1029} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HD2 )) 6.000 4.500 0.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.588 ppm2 3.598 CV 1 ASSI { 1030} (( segid " " and resid 65 and name HA )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.587 ppm2 1.432 CV 1 ASSI { 1032} (( segid " " and resid 14 and name HD1 )) (( segid " " and resid 11 and name HN )) 6.000 4.500 0.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.015 ppm2 7.319 CV 1 OR { 1032} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 11 and name HN )) ASSI { 1034} (( segid " " and resid 44 and name HD1 )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.956 ppm2 2.475 CV 1 ASSI { 1037} (( segid " " and resid 44 and name HD1 )) (( segid " " and resid 43 and name HB1 )) 6.000 4.500 0.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.948 ppm2 1.984 CV 1 ASSI { 1039} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.733 ppm2 2.480 CV 1 ASSI { 1050} (( segid " " and resid 127 and name HD1 )) (( segid " " and resid 127 and name HB1 )) 6.000 4.500 0.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.156 ppm2 2.611 CV 1 ASSI { 1065} (( segid " " and resid 127 and name HD1 )) (( segid " " and resid 126 and name HN )) 6.000 4.500 0.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.168 ppm2 8.724 CV 1 ASSI { 1068} (( segid " " and resid 91 and name HD1 )) (( segid " " and resid 91 and name HB2 )) 6.000 4.500 0.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.580 ppm2 2.247 CV 1 ASSI { 1071} (( segid " " and resid 133 and name HD2 )) (( segid " " and resid 133 and name HD1 )) 6.000 4.500 0.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.422 ppm2 3.102 CV 1 ASSI { 1072} (( segid " " and resid 133 and name HD2 )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.404 ppm2 0.987 CV 1 ASSI { 1075} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HG1 )) 6.000 4.500 0.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.102 ppm2 1.783 CV 1 OR { 1075} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HG2 )) ASSI { 1076} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HB1 )) 6.000 4.500 0.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.100 ppm2 1.596 CV 1 ASSI { 1077} (( segid " " and resid 133 and name HD1 )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.100 ppm2 0.990 CV 1 ASSI { 1078} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.607 ppm2 8.721 CV 1 ASSI { 1079} (( segid " " and resid 66 and name HD2 )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.604 ppm2 1.433 CV 1 ASSI { 1080} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.603 ppm2 1.273 CV 1 ASSI { 1081} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.610 ppm2 0.524 CV 1 ASSI { 1083} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HD1 )) 6.000 4.500 0.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.601 ppm2 3.406 CV 1 ASSI { 1084} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.598 ppm2 1.717 CV 1 ASSI { 1085} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.600 ppm2 0.763 CV 1 ASSI { 1089} (( segid " " and resid 133 and name HD2 )) (( segid " " and resid 133 and name HB1 )) 6.000 4.500 0.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.409 ppm2 1.599 CV 1 ASSI { 1090} (( segid " " and resid 66 and name HD1 )) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.409 ppm2 1.267 CV 1 ASSI { 1092} (( segid " " and resid 66 and name HD1 )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.411 ppm2 0.532 CV 1 ASSI { 1096} (( segid " " and resid 66 and name HD1 )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.407 ppm2 1.436 CV 1 ASSI { 1097} (( segid " " and resid 66 and name HD1 )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.402 ppm2 0.770 CV 1 ASSI { 1102} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HB2 )) 6.000 4.500 0.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.111 ppm2 1.488 CV 1 ASSI { 1105} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.992 ppm2 6.816 CV 1 ASSI { 1106} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 100 and name HG )) 6.000 4.500 0.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.997 ppm2 1.615 CV 1 ASSI { 1107} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 100 and name HD2%) 6.000 4.500 0.000 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.991 ppm2 1.050 CV 1 ASSI { 1108} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 100 and name HD1%) 6.000 4.500 0.000 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.991 ppm2 0.657 CV 1 ASSI { 1110} (( segid " " and resid 100 and name HB1 )) ( segid " " and resid 100 and name HD1%) 6.000 4.500 0.000 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.794 ppm2 0.656 CV 1 ASSI { 1113} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 126 and name HN )) 6.000 4.500 0.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.082 ppm2 8.736 CV 1 ASSI { 1115} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.075 ppm2 6.779 CV 1 ASSI { 1116} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 122 and name HA1 )) 6.000 4.500 0.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.075 ppm2 2.802 CV 1 ASSI { 1122} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.810 ppm2 6.784 CV 1 ASSI { 1123} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.818 ppm2 0.328 CV 1 ASSI { 1127} (( segid " " and resid 122 and name HA1 )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.803 ppm2 -0.564 CV 1 ASSI { 1130} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.808 ppm2 9.316 CV 1 ASSI { 1131} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HB2 )) 6.000 4.500 0.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.809 ppm2 0.995 CV 1 ASSI { 1132} (( segid " " and resid 60 and name HB1 )) ( segid " " and resid 60 and name HD1%) 6.000 4.500 0.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.807 ppm2 0.712 CV 1 ASSI { 1133} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.805 ppm2 1.243 CV 1 ASSI { 1134} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.003 ppm2 9.319 CV 1 ASSI { 1142} (( segid " " and resid 81 and name HA1 )) (( segid " " and resid 94 and name HB1 )) 6.000 4.500 0.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.144 ppm2 1.694 CV 1 ASSI { 1146} (( segid " " and resid 94 and name HB1 )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.706 ppm2 0.744 CV 1 OR { 1146} (( segid " " and resid 94 and name HB1 )) ( segid " " and resid 94 and name HD1%) ASSI { 1148} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.392 ppm2 0.760 CV 1 ASSI { 1150} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HB1 )) 6.000 4.500 0.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.395 ppm2 1.698 CV 1 ASSI { 1152} (( segid " " and resid 111 and name HB1 )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.298 ppm2 0.317 CV 1 ASSI { 1155} (( segid " " and resid 26 and name HA1 )) (( segid " " and resid 33 and name HN )) 6.000 4.500 0.000 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.905 ppm2 9.151 CV 1 ASSI { 1156} (( segid " " and resid 26 and name HA1 )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.909 ppm2 7.572 CV 1 ASSI { 1157} (( segid " " and resid 26 and name HA1 )) ( segid " " and resid 33 and name HD1%) 6.000 4.500 0.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.910 ppm2 0.858 CV 1 ASSI { 1158} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 27 and name HN )) 6.000 4.500 0.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.894 ppm2 7.320 CV 1 ASSI { 1159} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 33 and name HG12)) 6.000 4.500 0.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.895 ppm2 1.559 CV 1 OR { 1159} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 33 and name HG11)) ASSI { 1160} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 7.576 CV 1 ASSI { 1166} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.294 ppm2 0.891 CV 1 ASSI { 1170} (( segid " " and resid 111 and name HB2 )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.888 ppm2 0.314 CV 1 ASSI { 1172} (( segid " " and resid 140 and name HA2 )) (( segid " " and resid 141 and name HN )) 6.000 4.500 0.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.398 ppm2 7.990 CV 1 ASSI { 1174} (( segid " " and resid 140 and name HA2 )) (( segid " " and resid 140 and name HA1 )) 6.000 4.500 0.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.392 ppm2 3.511 CV 1 ASSI { 1185} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HB2 )) 6.000 4.500 0.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.153 ppm2 2.404 CV 1 ASSI { 1186} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.411 ppm2 7.123 CV 1 ASSI { 1193} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 55 and name HA )) 6.000 4.500 0.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.742 ppm2 6.128 CV 1 ASSI { 1194} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.743 ppm2 3.754 CV 1 ASSI { 1213} (( segid " " and resid 121 and name HD2 )) (( segid " " and resid 121 and name HB1 )) 6.000 4.500 0.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.436 ppm2 0.955 CV 1 ASSI { 1214} (( segid " " and resid 121 and name HD2 )) (( segid " " and resid 121 and name HG1 )) 6.000 4.500 0.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.427 ppm2 1.390 CV 1 ASSI { 1216} (( segid " " and resid 46 and name HA2 )) (( segid " " and resid 47 and name HD1 )) 6.000 4.500 0.000 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.256 ppm2 3.671 CV 1 OR { 1216} (( segid " " and resid 46 and name HA2 )) (( segid " " and resid 47 and name HD2 )) ASSI { 1217} (( segid " " and resid 46 and name HA2 )) (( segid " " and resid 47 and name HG1 )) 6.000 4.500 0.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.265 ppm2 2.028 CV 1 OR { 1217} (( segid " " and resid 46 and name HA2 )) (( segid " " and resid 47 and name HG2 )) ASSI { 1218} (( segid " " and resid 46 and name HA2 )) (( segid " " and resid 46 and name HA1 )) 6.000 4.500 0.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.249 ppm2 3.870 CV 1 ASSI { 1220} (( segid " " and resid 46 and name HA1 )) (( segid " " and resid 47 and name HD1 )) 6.000 4.500 0.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.866 ppm2 3.663 CV 1 OR { 1220} (( segid " " and resid 46 and name HA1 )) (( segid " " and resid 47 and name HD2 )) ASSI { 1221} (( segid " " and resid 46 and name HA1 )) (( segid " " and resid 47 and name HG1 )) 6.000 4.500 0.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.866 ppm2 2.015 CV 1 OR { 1221} (( segid " " and resid 46 and name HA1 )) (( segid " " and resid 47 and name HG2 )) ASSI { 1222} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.268 ppm2 0.882 CV 1 OR { 1222} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG )) ASSI { 1229} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 120 and name HD22)) 6.000 4.500 0.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.602 ppm2 6.880 CV 1 ASSI { 1231} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HB1 )) 6.000 4.500 0.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.590 ppm2 0.856 CV 1 ASSI { 1237} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.937 ppm2 -0.519 CV 1 ASSI { 1238} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.931 ppm2 0.630 CV 1 ASSI { 1239} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.918 ppm2 0.184 CV 1 ASSI { 1243} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 120 and name HD22)) 6.000 4.500 0.000 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.864 ppm2 6.881 CV 1 ASSI { 1268} (( segid " " and resid 155 and name HB2 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.494 ppm2 7.130 CV 1 ASSI { 1274} (( segid " " and resid 144 and name HD1 )) (( segid " " and resid 144 and name HB1 )) 6.000 4.500 0.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.259 ppm2 2.119 CV 1 OR { 1274} (( segid " " and resid 144 and name HD2 )) (( segid " " and resid 144 and name HB1 )) ASSI { 1275} (( segid " " and resid 144 and name HD1 )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.258 ppm2 1.591 CV 1 OR { 1275} (( segid " " and resid 144 and name HD2 )) (( segid " " and resid 144 and name HG2 )) ASSI { 1279} (( segid " " and resid 75 and name HD1 )) (( segid " " and resid 75 and name HA )) 6.000 4.500 0.000 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.177 ppm2 4.138 CV 1 ASSI { 1285} (( segid " " and resid 75 and name HD1 )) (( segid " " and resid 75 and name HG1 )) 6.000 4.500 0.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.158 ppm2 1.625 CV 1 ASSI { 1293} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HN )) 6.000 4.500 0.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.705 ppm2 7.421 CV 1 ASSI { 1294} (( segid " " and resid 155 and name HB1 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.702 ppm2 7.134 CV 1 ASSI { 1295} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HN )) 6.000 4.500 0.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.647 ppm2 9.154 CV 1 ASSI { 1299} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HG )) 6.000 4.500 0.000 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.522 ppm2 0.807 CV 1 ASSI { 1308} (( segid " " and resid 41 and name HD2 )) (( segid " " and resid 41 and name HG1 )) 6.000 4.500 0.000 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.185 ppm2 1.143 CV 1 ASSI { 1310} (( segid " " and resid 75 and name HD1 )) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.169 ppm2 2.262 CV 1 ASSI { 1311} (( segid " " and resid 41 and name HD1 )) (( segid " " and resid 41 and name HG2 )) 6.000 4.500 0.000 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.758 ppm2 1.502 CV 1 ASSI { 1313} (( segid " " and resid 41 and name HD1 )) (( segid " " and resid 41 and name HD2 )) 6.000 4.500 0.000 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.746 ppm2 3.179 CV 1 ASSI { 1314} (( segid " " and resid 41 and name HD1 )) (( segid " " and resid 41 and name HG1 )) 6.000 4.500 0.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.737 ppm2 1.124 CV 1 ASSI { 1315} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 96 and name HB2 )) 6.000 4.500 0.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.062 ppm2 0.981 CV 1 ASSI { 1316} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HG )) 6.000 4.500 0.000 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.637 ppm2 0.810 CV 1 ASSI { 1318} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HA )) 6.000 4.500 0.000 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.489 ppm2 4.216 CV 1 ASSI { 1323} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.066 ppm2 0.327 CV 1 ASSI { 1325} (( segid " " and resid 125 and name HB2 )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.058 ppm2 0.449 CV 1 ASSI { 1327} (( segid " " and resid 125 and name HB2 )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.046 ppm2 -0.559 CV 1 ASSI { 1328} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.969 ppm2 5.438 CV 1 ASSI { 1330} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.961 ppm2 1.635 CV 1 ASSI { 1333} (( segid " " and resid 96 and name HB2 )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.962 ppm2 0.450 CV 1 ASSI { 1334} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 125 and name HA )) 6.000 4.500 0.000 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.933 ppm2 3.824 CV 1 ASSI { 1335} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.925 ppm2 0.319 CV 1 ASSI { 1337} (( segid " " and resid 41 and name HD1 )) (( segid " " and resid 41 and name HB2 )) 6.000 4.500 0.000 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.753 ppm2 1.691 CV 1 OR { 1337} (( segid " " and resid 41 and name HD1 )) (( segid " " and resid 41 and name HB1 )) ASSI { 1338} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.122 ppm2 1.701 CV 1 ASSI { 1339} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.125 ppm2 0.689 CV 1 ASSI { 1340} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HA )) 6.000 4.500 0.000 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 4.206 CV 1 ASSI { 1342} (( segid " " and resid 64 and name HB1 )) ( segid " " and resid 64 and name HD2%) 6.000 4.500 0.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.732 ppm2 0.727 CV 1 OR { 1342} (( segid " " and resid 64 and name HB1 )) ( segid " " and resid 64 and name HD1%) OR { 1342} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HG )) ASSI { 1343} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.728 ppm2 0.080 CV 1 ASSI { 1345} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HN )) 6.000 4.500 0.000 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.723 ppm2 7.238 CV 1 ASSI { 1349} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.721 ppm2 1.305 CV 1 ASSI { 1350} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.723 ppm2 0.370 CV 1 ASSI { 1353} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HA )) 6.000 4.500 0.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.597 ppm2 4.428 CV 1 OR { 1353} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) ASSI { 1355} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 45 and name HD1%) 6.000 4.500 0.000 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.607 ppm2 0.871 CV 1 OR { 1355} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 45 and name HD1%) ASSI { 1367} (( segid " " and resid 150 and name HD1 )) (( segid " " and resid 119 and name HB1 )) 6.000 4.500 0.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.095 ppm2 1.455 CV 1 OR { 1367} (( segid " " and resid 150 and name HD1 )) (( segid " " and resid 119 and name HE2 )) ASSI { 1368} (( segid " " and resid 150 and name HD1 )) (( segid " " and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.096 ppm2 1.261 CV 1 ASSI { 1373} (( segid " " and resid 150 and name HD1 )) (( segid " " and resid 150 and name HB2 )) 6.000 4.500 0.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.094 ppm2 0.906 CV 1 ASSI { 1374} (( segid " " and resid 23 and name HE1 )) (( segid " " and resid 23 and name HD2 )) 6.000 4.500 0.000 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.988 ppm2 1.678 CV 1 OR { 1374} (( segid " " and resid 23 and name HE2 )) (( segid " " and resid 23 and name HD2 )) OR { 1374} (( segid " " and resid 23 and name HE1 )) (( segid " " and resid 23 and name HD1 )) OR { 1374} (( segid " " and resid 23 and name HE2 )) (( segid " " and resid 23 and name HD1 )) ASSI { 1376} (( segid " " and resid 157 and name HE2 )) (( segid " " and resid 157 and name HG1 )) 6.000 4.500 0.000 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.959 ppm2 1.541 CV 1 OR { 1376} (( segid " " and resid 157 and name HE1 )) (( segid " " and resid 157 and name HG1 )) ASSI { 1377} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 150 and name HG1 )) 6.000 4.500 0.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.962 ppm2 1.423 CV 1 ASSI { 1378} (( segid " " and resid 157 and name HE1 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.945 ppm2 7.147 CV 1 OR { 1378} (( segid " " and resid 157 and name HE2 )) ( segid " " and resid 40 and name HD% ) ASSI { 1387} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.129 ppm2 1.231 CV 1 ASSI { 1388} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 25 and name HD2%) 6.000 4.500 0.000 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.127 ppm2 0.827 CV 1 OR { 1388} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 25 and name HD1%) ASSI { 1389} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.003 ppm2 0.267 CV 1 ASSI { 1391} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.976 ppm2 1.200 CV 1 ASSI { 1392} (( segid " " and resid 128 and name HB1 )) ( segid " " and resid 128 and name HD2%) 6.000 4.500 0.000 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.979 ppm2 0.570 CV 1 OR { 1392} (( segid " " and resid 128 and name HB1 )) ( segid " " and resid 128 and name HD1%) ASSI { 1401} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.308 ppm2 0.377 CV 1 ASSI { 1402} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.307 ppm2 0.084 CV 1 ASSI { 1408} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 25 and name HD1%) 6.000 4.500 0.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.231 ppm2 0.828 CV 1 OR { 1408} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 25 and name HD2%) ASSI { 1409} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 129 and name HN )) 6.000 4.500 0.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.213 ppm2 8.631 CV 1 ASSI { 1412} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 128 and name HD2%) 6.000 4.500 0.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.207 ppm2 0.572 CV 1 OR { 1412} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 128 and name HD1%) ASSI { 1414} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.200 ppm2 0.275 CV 1 ASSI { 1415} (( segid " " and resid 157 and name HE1 )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.958 ppm2 6.770 CV 1 OR { 1415} (( segid " " and resid 157 and name HE2 )) (( segid " " and resid 126 and name HD1 )) ASSI { 1426} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 11 and name HN )) 6.000 4.500 0.000 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.428 ppm2 7.304 CV 1 ASSI { 1431} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.070 ppm2 0.694 CV 1 ASSI { 1432} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 129 and name HN )) 6.000 4.500 0.000 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.989 ppm2 8.599 CV 1 ASSI { 1438} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.860 ppm2 7.610 CV 1 ASSI { 1440} (( segid " " and resid 78 and name HB1 )) ( segid " " and resid 78 and name HD2%) 6.000 4.500 0.000 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.859 ppm2 0.807 CV 1 OR { 1440} (( segid " " and resid 78 and name HB1 )) ( segid " " and resid 78 and name HD1%) ASSI { 1441} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 79 and name HN )) 6.000 4.500 0.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.855 ppm2 8.603 CV 1 ASSI { 1442} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 78 and name HB2 )) 6.000 4.500 0.000 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.857 ppm2 1.533 CV 1 ASSI { 1443} (( segid " " and resid 5 and name HB )) (( segid " " and resid 58 and name HN )) 6.000 4.500 0.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.743 ppm2 9.148 CV 1 ASSI { 1444} (( segid " " and resid 5 and name HB )) (( segid " " and resid 5 and name HN )) 6.000 4.500 0.000 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.732 ppm2 9.525 CV 1 ASSI { 1450} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 79 and name HN )) 6.000 4.500 0.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.532 ppm2 8.599 CV 1 ASSI { 1453} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HG )) 6.000 4.500 0.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.433 ppm2 1.853 CV 1 ASSI { 1454} (( segid " " and resid 106 and name HB )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.434 ppm2 1.187 CV 1 ASSI { 1457} (( segid " " and resid 106 and name HB )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.426 ppm2 0.612 CV 1 ASSI { 1461} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HB2 )) 6.000 4.500 0.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.904 ppm2 2.567 CV 1 ASSI { 1462} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.895 ppm2 4.169 CV 1 ASSI { 1467} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.565 ppm2 4.183 CV 1 ASSI { 1472} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) 6.000 4.500 0.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.444 ppm2 7.992 CV 1 ASSI { 1474} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.085 ppm2 7.765 CV 1 ASSI { 1477} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HB1 )) 6.000 4.500 0.000 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.072 ppm2 1.442 CV 1 ASSI { 1478} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.075 ppm2 1.092 CV 1 ASSI { 1481} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.844 ppm2 0.985 CV 1 ASSI { 1483} (( segid " " and resid 5 and name HB )) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.742 ppm2 5.616 CV 1 ASSI { 1489} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HN )) 6.000 4.500 0.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.439 ppm2 8.550 CV 1 ASSI { 1490} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.433 ppm2 7.746 CV 1 ASSI { 1492} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.440 ppm2 1.084 CV 1 ASSI { 1493} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 147 and name HG )) 6.000 4.500 0.000 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.091 ppm2 0.866 CV 1 ASSI { 1497} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 147 and name HB1 )) 6.000 4.500 0.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.084 ppm2 0.679 CV 1 ASSI { 1507} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 147 and name HG )) 6.000 4.500 0.000 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.676 ppm2 0.871 CV 1 ASSI { 1509} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.671 ppm2 7.417 CV 1 ASSI { 1510} (( segid " " and resid 101 and name HB1 )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.319 ppm2 7.007 CV 1 ASSI { 1511} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.311 ppm2 2.306 CV 1 ASSI { 1512} (( segid " " and resid 101 and name HB1 )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.315 ppm2 1.145 CV 1 ASSI { 1513} (( segid " " and resid 101 and name HB1 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.306 ppm2 0.620 CV 1 ASSI { 1514} (( segid " " and resid 101 and name HB1 )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.300 ppm2 0.929 CV 1 ASSI { 1515} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HN )) 6.000 4.500 0.000 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.864 ppm2 9.400 CV 1 ASSI { 1532} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.318 ppm2 7.016 CV 1 ASSI { 1535} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.305 ppm2 0.620 CV 1 ASSI { 1538} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.847 ppm2 3.639 CV 1 ASSI { 1539} (( segid " " and resid 70 and name HB1 )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.841 ppm2 0.449 CV 1 ASSI { 1542} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HN )) 6.000 4.500 0.000 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.601 ppm2 8.195 CV 1 ASSI { 1543} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HB1 )) 6.000 4.500 0.000 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.603 ppm2 1.446 CV 1 ASSI { 1544} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HN )) 6.000 4.500 0.000 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.446 ppm2 8.189 CV 1 ASSI { 1546} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HN )) 6.000 4.500 0.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.993 ppm2 7.795 CV 1 ASSI { 1551} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HN )) 6.000 4.500 0.000 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.088 ppm2 9.400 CV 1 ASSI { 1552} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.085 ppm2 7.120 CV 1 ASSI { 1554} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HB2 )) 6.000 4.500 0.000 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.072 ppm2 2.840 CV 1 ASSI { 1558} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 154 and name HB1 )) 6.000 4.500 0.000 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.744 ppm2 1.365 CV 1 OR { 1558} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 154 and name HB2 )) OR { 1558} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 154 and name HD2 )) ASSI { 1564} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HB2 )) 6.000 4.500 0.000 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.592 ppm2 2.740 CV 1 ASSI { 1565} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.309 ppm2 0.945 CV 1 ASSI { 1566} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 119 and name HB2 )) 6.000 4.500 0.000 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.270 ppm2 1.696 CV 1 ASSI { 1567} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.609 ppm2 3.465 CV 1 ASSI { 1568} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.441 ppm2 3.468 CV 1 ASSI { 1575} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.724 ppm2 0.277 CV 1 OR { 1575} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 128 and name HG )) ASSI { 1576} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 100 and name HB1 )) 6.000 4.500 0.000 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.709 ppm2 1.789 CV 1 OR { 1576} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 100 and name HB1 )) ASSI { 1577} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 150 and name HG1 )) 6.000 4.500 0.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.263 ppm2 1.437 CV 1 ASSI { 1578} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.265 ppm2 0.476 CV 1 ASSI { 1579} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 119 and name HG2 )) 6.000 4.500 0.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.260 ppm2 1.275 CV 1 ASSI { 1582} (( segid " " and resid 7 and name HB )) (( segid " " and resid 56 and name HN )) 6.000 4.500 0.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.453 ppm2 9.190 CV 1 ASSI { 1583} (( segid " " and resid 7 and name HB )) (( segid " " and resid 7 and name HN )) 6.000 4.500 0.000 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.441 ppm2 8.811 CV 1 ASSI { 1585} (( segid " " and resid 7 and name HB )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.446 ppm2 0.664 CV 1 ASSI { 1589} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.291 ppm2 0.951 CV 1 OR { 1589} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 69 and name HD2%) ASSI { 1594} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.008 ppm2 2.566 CV 1 ASSI { 1604} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 100 and name HD1%) 6.000 4.500 0.000 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.737 ppm2 0.650 CV 1 OR { 1604} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 100 and name HD1%) ASSI { 1605} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.726 ppm2 6.811 CV 1 OR { 1605} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 4 and name HD% ) ASSI { 1615} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.572 ppm2 3.017 CV 1 ASSI { 1618} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 121 and name HN )) 6.000 4.500 0.000 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.533 ppm2 7.024 CV 1 ASSI { 1621} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HA )) 6.000 4.500 0.000 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.204 ppm2 4.165 CV 1 ASSI { 1623} (( segid " " and resid 69 and name HB1 )) ( segid " " and resid 69 and name HD2%) 6.000 4.500 0.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.189 ppm2 0.960 CV 1 OR { 1623} (( segid " " and resid 69 and name HB1 )) ( segid " " and resid 69 and name HD1%) ASSI { 1626} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 66 and name HA )) 6.000 4.500 0.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.299 ppm2 3.339 CV 1 ASSI { 1627} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 64 and name HD1%) 6.000 4.500 0.000 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.306 ppm2 0.685 CV 1 OR { 1627} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 64 and name HD2%) ASSI { 1629} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.295 ppm2 2.208 CV 1 ASSI { 1632} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.878 ppm2 1.240 CV 1 ASSI { 1634} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 41 and name HB1 )) 6.000 4.500 0.000 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.865 ppm2 1.662 CV 1 OR { 1634} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 41 and name HB2 )) ASSI { 1646} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HN )) 6.000 4.500 0.000 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.667 ppm2 9.180 CV 1 ASSI { 1648} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HD21)) 6.000 4.500 0.000 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.666 ppm2 7.799 CV 1 ASSI { 1649} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.672 ppm2 5.500 CV 1 ASSI { 1653} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.662 ppm2 1.010 CV 1 OR { 1653} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 105 and name HG2%) ASSI { 1669} (( segid " " and resid 152 and name HB2 )) ( segid " " and resid 152 and name HD% ) 6.000 4.500 0.000 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.390 ppm2 7.072 CV 1 ASSI { 1670} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HB1 )) 6.000 4.500 0.000 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.393 ppm2 2.688 CV 1 ASSI { 1674} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.163 ppm2 2.910 CV 1 ASSI { 1675} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 147 and name HD1%) 6.000 4.500 0.000 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.164 ppm2 -0.465 CV 1 ASSI { 1676} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.155 ppm2 7.198 CV 1 ASSI { 1679} (( segid " " and resid 129 and name HB1 )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.888 ppm2 7.198 CV 1 ASSI { 1686} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 156 and name HN )) 6.000 4.500 0.000 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.866 ppm2 9.069 CV 1 ASSI { 1688} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 155 and name HB1 )) 6.000 4.500 0.000 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.866 ppm2 1.712 CV 1 ASSI { 1693} (( segid " " and resid 152 and name HB1 )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.695 ppm2 -0.557 CV 1 ASSI { 1694} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 153 and name HN )) 6.000 4.500 0.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.681 ppm2 8.790 CV 1 ASSI { 1695} (( segid " " and resid 152 and name HB1 )) ( segid " " and resid 152 and name HD% ) 6.000 4.500 0.000 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.690 ppm2 7.085 CV 1 ASSI { 1703} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.012 ppm2 3.256 CV 1 ASSI { 1706} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 103 and name HD22)) 6.000 4.500 0.000 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.985 ppm2 7.568 CV 1 ASSI { 1707} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 103 and name HD21)) 6.000 4.500 0.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.985 ppm2 6.982 CV 1 ASSI { 1709} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.986 ppm2 3.858 CV 1 ASSI { 1710} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 103 and name HB2 )) 6.000 4.500 0.000 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.983 ppm2 2.654 CV 1 ASSI { 1714} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 104 and name HN )) 6.000 4.500 0.000 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.656 ppm2 8.333 CV 1 ASSI { 1715} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HD22)) 6.000 4.500 0.000 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.657 ppm2 7.564 CV 1 ASSI { 1717} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 102 and name HA1 )) 6.000 4.500 0.000 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.661 ppm2 3.873 CV 1 OR { 1717} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 102 and name HA2 )) ASSI { 1723} (( segid " " and resid 131 and name HB )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.132 ppm2 1.595 CV 1 ASSI { 1724} (( segid " " and resid 131 and name HB )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.137 ppm2 1.483 CV 1 ASSI { 1732} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HA )) 6.000 4.500 0.000 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.352 ppm2 4.302 CV 1 ASSI { 1735} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 139 and name HN )) 6.000 4.500 0.000 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.230 ppm2 7.480 CV 1 ASSI { 1740} (( segid " " and resid 33 and name HB )) ( segid " " and resid 33 and name HG2%) 6.000 4.500 0.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.767 ppm2 0.758 CV 1 ASSI { 1746} (( segid " " and resid 116 and name HB1 )) ( segid " " and resid 116 and name HD% ) 6.000 4.500 0.000 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.074 ppm2 6.676 CV 1 ASSI { 1747} (( segid " " and resid 116 and name HB1 )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.069 ppm2 1.432 CV 1 ASSI { 1751} (( segid " " and resid 116 and name HB2 )) ( segid " " and resid 116 and name HD% ) 6.000 4.500 0.000 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.928 ppm2 6.673 CV 1 ASSI { 1753} (( segid " " and resid 116 and name HB2 )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.934 ppm2 1.437 CV 1 ASSI { 1757} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.950 ppm2 8.720 CV 1 ASSI { 1759} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HG2 )) 6.000 4.500 0.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.947 ppm2 2.132 CV 1 ASSI { 1760} (( segid " " and resid 67 and name HG1 )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.946 ppm2 0.305 CV 1 ASSI { 1764} (( segid " " and resid 146 and name HB )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.789 ppm2 4.075 CV 1 ASSI { 1766} (( segid " " and resid 146 and name HB )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.788 ppm2 0.475 CV 1 ASSI { 1767} (( segid " " and resid 146 and name HB )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.792 ppm2 0.333 CV 1 ASSI { 1772} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HD22)) 6.000 4.500 0.000 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.887 ppm2 6.840 CV 1 ASSI { 1775} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.880 ppm2 7.391 CV 1 ASSI { 1776} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HB2 )) 6.000 4.500 0.000 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.873 ppm2 2.671 CV 1 ASSI { 1782} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.673 ppm2 7.386 CV 1 ASSI { 1783} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HD22)) 6.000 4.500 0.000 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.670 ppm2 6.839 CV 1 ASSI { 1792} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.129 ppm2 6.873 CV 1 ASSI { 1794} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.950 ppm2 3.623 CV 1 ASSI { 1798} (( segid " " and resid 76 and name HB )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.874 ppm2 8.299 CV 1 ASSI { 1799} (( segid " " and resid 76 and name HB )) (( segid " " and resid 76 and name HN )) 6.000 4.500 0.000 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.877 ppm2 8.071 CV 1 ASSI { 1800} (( segid " " and resid 76 and name HB )) (( segid " " and resid 73 and name HB )) 6.000 4.500 0.000 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.876 ppm2 3.908 CV 1 ASSI { 1805} (( segid " " and resid 28 and name HB )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.546 ppm2 0.939 CV 1 OR { 1805} (( segid " " and resid 28 and name HB )) ( segid " " and resid 69 and name HD2%) ASSI { 1808} (( segid " " and resid 28 and name HB )) (( segid " " and resid 28 and name HG11)) 6.000 4.500 0.000 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.539 ppm2 2.055 CV 1 OR { 1808} (( segid " " and resid 28 and name HB )) (( segid " " and resid 28 and name HG12)) ASSI { 1809} (( segid " " and resid 28 and name HB )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.540 ppm2 0.769 CV 1 ASSI { 1810} (( segid " " and resid 28 and name HB )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.540 ppm2 0.606 CV 1 ASSI { 1813} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.319 ppm2 6.977 CV 1 ASSI { 1814} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.321 ppm2 -0.528 CV 1 ASSI { 1817} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HB1 )) 6.000 4.500 0.000 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.312 ppm2 2.813 CV 1 ASSI { 1818} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.296 ppm2 0.170 CV 1 ASSI { 1821} (( segid " " and resid 39 and name HB1 )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.817 ppm2 6.984 CV 1 ASSI { 1823} (( segid " " and resid 39 and name HB1 )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.821 ppm2 -0.519 CV 1 ASSI { 1826} (( segid " " and resid 39 and name HB1 )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.804 ppm2 0.175 CV 1 ASSI { 1827} (( segid " " and resid 98 and name HB )) ( segid " " and resid 98 and name HG2%) 6.000 4.500 0.000 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.079 ppm2 0.801 CV 1 ASSI { 1830} (( segid " " and resid 98 and name HB )) (( segid " " and resid 5 and name HN )) 6.000 4.500 0.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.078 ppm2 9.506 CV 1 ASSI { 1832} (( segid " " and resid 98 and name HB )) (( segid " " and resid 98 and name HG11)) 6.000 4.500 0.000 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.073 ppm2 0.957 CV 1 ASSI { 1837} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HA )) 6.000 4.500 0.000 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.183 ppm2 4.336 CV 1 ASSI { 1838} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HB1 )) 6.000 4.500 0.000 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.178 ppm2 2.907 CV 1 ASSI { 1841} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.170 ppm2 1.239 CV 1 ASSI { 1842} (( segid " " and resid 123 and name HB1 )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.928 ppm2 1.242 CV 1 ASSI { 1844} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.923 ppm2 0.913 CV 1 ASSI { 1851} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.280 ppm2 9.256 CV 1 ASSI { 1853} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HA )) 6.000 4.500 0.000 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.276 ppm2 4.280 CV 1 ASSI { 1854} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HB2 )) 6.000 4.500 0.000 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.279 ppm2 1.858 CV 1 ASSI { 1855} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 146 and name HG12)) 6.000 4.500 0.000 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.285 ppm2 0.985 CV 1 ASSI { 1856} (( segid " " and resid 141 and name HG1 )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.279 ppm2 0.468 CV 1 ASSI { 1857} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.047 ppm2 9.264 CV 1 ASSI { 1860} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.048 ppm2 2.277 CV 1 ASSI { 1863} (( segid " " and resid 141 and name HG2 )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.044 ppm2 0.477 CV 1 ASSI { 1866} (( segid " " and resid 113 and name HB )) (( segid " " and resid 113 and name HA )) 6.000 4.500 0.000 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.857 ppm2 4.296 CV 1 ASSI { 1869} (( segid " " and resid 113 and name HB )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.852 ppm2 1.145 CV 1 ASSI { 1876} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.048 ppm2 2.583 CV 1 ASSI { 1881} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.826 ppm2 1.860 CV 1 ASSI { 1882} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.831 ppm2 1.594 CV 1 ASSI { 1883} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 77 and name HB2 )) 6.000 4.500 0.000 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.819 ppm2 2.580 CV 1 ASSI { 1884} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 77 and name HG1 )) 6.000 4.500 0.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.816 ppm2 2.054 CV 1 ASSI { 1889} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.324 ppm2 7.394 CV 1 ASSI { 1890} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 15 and name HG )) 6.000 4.500 0.000 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.315 ppm2 0.914 CV 1 ASSI { 1892} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 96 and name HN )) 6.000 4.500 0.000 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.057 ppm2 10.547 CV 1 ASSI { 1895} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 77 and name HB2 )) 6.000 4.500 0.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.050 ppm2 2.581 CV 1 ASSI { 1896} (( segid " " and resid 77 and name HG1 )) ( segid " " and resid 21 and name HB% ) 6.000 4.500 0.000 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.046 ppm2 1.467 CV 1 ASSI { 1902} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 103 and name HN )) 6.000 4.500 0.000 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.583 ppm2 9.250 CV 1 ASSI { 1903} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HN )) 6.000 4.500 0.000 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.582 ppm2 8.328 CV 1 ASSI { 1904} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 105 and name HN )) 6.000 4.500 0.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.583 ppm2 8.176 CV 1 ASSI { 1906} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.581 ppm2 7.013 CV 1 ASSI { 1907} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.581 ppm2 4.256 CV 1 ASSI { 1908} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.583 ppm2 2.159 CV 1 ASSI { 1909} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.585 ppm2 1.410 CV 1 ASSI { 1910} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.585 ppm2 0.595 CV 1 ASSI { 1915} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.504 ppm2 4.253 CV 1 ASSI { 1916} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.502 ppm2 1.412 CV 1 ASSI { 1918} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.498 ppm2 0.601 CV 1 ASSI { 1919} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.494 ppm2 7.011 CV 1 ASSI { 1922} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 109 and name HB1 )) 6.000 4.500 0.000 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.319 ppm2 2.057 CV 1 OR { 1922} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 109 and name HB2 )) ASSI { 1923} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HN )) 6.000 4.500 0.000 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.155 ppm2 8.896 CV 1 ASSI { 1925} (( segid " " and resid 58 and name HB )) (( segid " " and resid 5 and name HN )) 6.000 4.500 0.000 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.955 ppm2 9.526 CV 1 ASSI { 1926} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.954 ppm2 8.590 CV 1 ASSI { 1927} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.956 ppm2 0.968 CV 1 OR { 1927} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG1%) ASSI { 1933} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.385 ppm2 7.212 CV 1 OR { 1933} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 72 and name HD2 )) ASSI { 1935} (( segid " " and resid 68 and name HG1 )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.386 ppm2 1.436 CV 1 OR { 1935} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 65 and name HB% ) ASSI { 1936} (( segid " " and resid 68 and name HG1 )) ( segid " " and resid 64 and name HD1%) 6.000 4.500 0.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.389 ppm2 0.732 CV 1 OR { 1936} (( segid " " and resid 68 and name HG1 )) ( segid " " and resid 64 and name HD2%) OR { 1936} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 64 and name HD1%) OR { 1936} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 64 and name HD2%) OR { 1936} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 64 and name HG )) ASSI { 1937} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 109 and name HN )) 6.000 4.500 0.000 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.312 ppm2 8.874 CV 1 ASSI { 1938} (( segid " " and resid 109 and name HG1 )) (( segid " " and resid 109 and name HN )) 6.000 4.500 0.000 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.249 ppm2 8.869 CV 1 ASSI { 1939} (( segid " " and resid 109 and name HG1 )) (( segid " " and resid 109 and name HA )) 6.000 4.500 0.000 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.249 ppm2 4.030 CV 1 ASSI { 1940} (( segid " " and resid 87 and name HG2 )) (( segid " " and resid 87 and name HN )) 6.000 4.500 0.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.239 ppm2 8.455 CV 1 ASSI { 1942} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 29 and name HA )) 6.000 4.500 0.000 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.165 ppm2 4.306 CV 1 ASSI { 1943} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.161 ppm2 3.905 CV 1 ASSI { 1944} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HB1 )) 6.000 4.500 0.000 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.165 ppm2 2.395 CV 1 ASSI { 1945} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.159 ppm2 0.741 CV 1 ASSI { 1948} (( segid " " and resid 30 and name HG1 )) ( segid " " and resid 64 and name HD2%) 6.000 4.500 0.000 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.089 ppm2 0.736 CV 1 OR { 1948} (( segid " " and resid 30 and name HG1 )) ( segid " " and resid 64 and name HD1%) ASSI { 1950} (( segid " " and resid 58 and name HB )) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.964 ppm2 5.633 CV 1 ASSI { 1955} (( segid " " and resid 58 and name HB )) ( segid " " and resid 25 and name HD2%) 6.000 4.500 0.000 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.955 ppm2 0.824 CV 1 OR { 1955} (( segid " " and resid 58 and name HB )) ( segid " " and resid 25 and name HD1%) ASSI { 1962} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.397 ppm2 1.294 CV 1 OR { 1962} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 69 and name HB2 )) ASSI { 1964} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.389 ppm2 8.163 CV 1 OR { 1964} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 69 and name HN )) ASSI { 1965} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 64 and name HB1 )) 6.000 4.500 0.000 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.389 ppm2 1.733 CV 1 OR { 1965} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 64 and name HB1 )) ASSI { 1968} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HB2 )) 6.000 4.500 0.000 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.200 ppm2 1.738 CV 1 ASSI { 1970} (( segid " " and resid 87 and name HG1 )) (( segid " " and resid 87 and name HN )) 6.000 4.500 0.000 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.192 ppm2 8.473 CV 1 ASSI { 1972} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.191 ppm2 1.262 CV 1 ASSI { 1973} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 34 and name HG )) 6.000 4.500 0.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.192 ppm2 0.794 CV 1 ASSI { 1976} (( segid " " and resid 134 and name HG1 )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.099 ppm2 0.977 CV 1 ASSI { 1979} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.903 ppm2 1.539 CV 1 ASSI { 1980} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.300 ppm2 8.287 CV 1 ASSI { 1981} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.298 ppm2 1.741 CV 1 ASSI { 1982} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 62 and name HN )) 6.000 4.500 0.000 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.201 ppm2 9.202 CV 1 ASSI { 1985} (( segid " " and resid 134 and name HG1 )) (( segid " " and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.104 ppm2 1.739 CV 1 ASSI { 1986} (( segid " " and resid 134 and name HG1 )) (( segid " " and resid 133 and name HB1 )) 6.000 4.500 0.000 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.104 ppm2 1.597 CV 1 ASSI { 1988} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HG1 )) 6.000 4.500 0.000 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.904 ppm2 2.191 CV 1 ASSI { 1989} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HB2 )) 6.000 4.500 0.000 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.905 ppm2 1.736 CV 1 ASSI { 1990} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.907 ppm2 1.256 CV 1 ASSI { 1993} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HA )) 6.000 4.500 0.000 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.917 ppm2 4.197 CV 1 ASSI { 1995} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HG1 )) 6.000 4.500 0.000 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.908 ppm2 2.396 CV 1 ASSI { 1996} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HB2 )) 6.000 4.500 0.000 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.906 ppm2 2.215 CV 1 OR { 1996} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HB1 )) ASSI { 1997} (( segid " " and resid 74 and name HG2 )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.907 ppm2 0.697 CV 1 ASSI { 2003} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HN )) 6.000 4.500 0.000 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.526 ppm2 7.600 CV 1 ASSI { 2005} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HG2 )) 6.000 4.500 0.000 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.528 ppm2 2.272 CV 1 OR { 2005} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HB1 )) ASSI { 2008} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HN )) 6.000 4.500 0.000 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.281 ppm2 7.609 CV 1 ASSI { 2009} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HA )) 6.000 4.500 0.000 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.269 ppm2 3.876 CV 1 ASSI { 2012} (( segid " " and resid 36 and name HB )) ( segid " " and resid 36 and name HG2%) 6.000 4.500 0.000 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.943 ppm2 1.327 CV 1 ASSI { 2013} (( segid " " and resid 36 and name HB )) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.943 ppm2 1.090 CV 1 ASSI { 2022} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HD1 )) 6.000 4.500 0.000 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.094 ppm2 4.178 CV 1 ASSI { 2024} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HD1 )) 6.000 4.500 0.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.845 ppm2 4.158 CV 1 ASSI { 2025} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HB1 )) 6.000 4.500 0.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.840 ppm2 2.076 CV 1 ASSI { 2028} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HD2 )) 6.000 4.500 0.000 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.831 ppm2 3.669 CV 1 ASSI { 2029} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 78 and name HD2%) 6.000 4.500 0.000 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.615 ppm2 0.817 CV 1 OR { 2029} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 78 and name HD1%) ASSI { 2036} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 125 and name HN )) 6.000 4.500 0.000 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.112 ppm2 7.493 CV 1 OR { 2036} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 125 and name HN )) ASSI { 2037} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HA )) 6.000 4.500 0.000 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.117 ppm2 4.374 CV 1 OR { 2037} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HA )) ASSI { 2039} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HD2 )) 6.000 4.500 0.000 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.098 ppm2 3.671 CV 1 ASSI { 2044} (( segid " " and resid 114 and name HB1 )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.088 ppm2 0.831 CV 1 ASSI { 2055} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HB2 )) 6.000 4.500 0.000 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.611 ppm2 2.121 CV 1 ASSI { 2056} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 78 and name HB1 )) 6.000 4.500 0.000 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.611 ppm2 1.875 CV 1 ASSI { 2060} (( segid " " and resid 145 and name HG2 )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.466 ppm2 0.772 CV 1 OR { 2060} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 146 and name HG2%) ASSI { 2061} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HG2 )) 6.000 4.500 0.000 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.449 ppm2 2.603 CV 1 ASSI { 2066} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 144 and name HN )) 6.000 4.500 0.000 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.262 ppm2 9.587 CV 1 ASSI { 2075} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.061 ppm2 6.740 CV 1 ASSI { 2082} (( segid " " and resid 136 and name HB )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.932 ppm2 1.022 CV 1 OR { 2082} (( segid " " and resid 136 and name HB )) ( segid " " and resid 136 and name HG1%) ASSI { 2091} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HD2 )) 6.000 4.500 0.000 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.675 ppm2 3.197 CV 1 OR { 2091} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HD2 )) ASSI { 2094} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HG1 )) 6.000 4.500 0.000 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.668 ppm2 1.136 CV 1 OR { 2094} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HG1 )) ASSI { 2104} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.472 ppm2 4.230 CV 1 OR { 2104} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HA )) ASSI { 2105} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 146 and name HA )) 6.000 4.500 0.000 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.472 ppm2 3.641 CV 1 OR { 2105} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 146 and name HA )) ASSI { 2106} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 148 and name HB2 )) 6.000 4.500 0.000 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.479 ppm2 3.254 CV 1 OR { 2106} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 148 and name HB2 )) ASSI { 2109} (( segid " " and resid 145 and name HG2 )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.470 ppm2 1.264 CV 1 OR { 2109} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 149 and name HG2%) ASSI { 2110} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 146 and name HG12)) 6.000 4.500 0.000 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.477 ppm2 0.967 CV 1 OR { 2110} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 146 and name HG12)) ASSI { 2117} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.307 ppm2 4.245 CV 1 OR { 2117} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 48 and name HA )) ASSI { 2118} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 51 and name HD1 )) 6.000 4.500 0.000 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.308 ppm2 3.543 CV 1 ASSI { 2119} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 91 and name HB1 )) 6.000 4.500 0.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.304 ppm2 1.827 CV 1 OR { 2119} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 91 and name HB1 )) ASSI { 2125} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.264 ppm2 6.734 CV 1 ASSI { 2126} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.269 ppm2 2.655 CV 1 ASSI { 2127} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.257 ppm2 9.266 CV 1 ASSI { 2128} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.254 ppm2 4.231 CV 1 ASSI { 2129} (( segid " " and resid 142 and name HB2 )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.254 ppm2 1.023 CV 1 ASSI { 2133} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.077 ppm2 9.267 CV 1 ASSI { 2147} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HG1 )) 6.000 4.500 0.000 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.650 ppm2 2.172 CV 1 ASSI { 2148} (( segid " " and resid 99 and name HG2 )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.645 ppm2 1.761 CV 1 ASSI { 2154} (( segid " " and resid 83 and name HB )) (( segid " " and resid 84 and name HG1 )) 6.000 4.500 0.000 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.057 ppm2 1.198 CV 1 ASSI { 2155} (( segid " " and resid 83 and name HB )) ( segid " " and resid 83 and name HG2%) 6.000 4.500 0.000 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.049 ppm2 0.965 CV 1 OR { 2155} (( segid " " and resid 83 and name HB )) ( segid " " and resid 83 and name HG1%) ASSI { 2156} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HE1 )) 6.000 4.500 0.000 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.970 ppm2 2.966 CV 1 OR { 2156} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HE2 )) ASSI { 2159} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HG2 )) 6.000 4.500 0.000 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.794 ppm2 1.372 CV 1 ASSI { 2161} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HE2 )) 6.000 4.500 0.000 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.782 ppm2 2.949 CV 1 OR { 2161} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HE1 )) ASSI { 2162} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HA )) 6.000 4.500 0.000 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.642 ppm2 4.362 CV 1 ASSI { 2163} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HG2 )) 6.000 4.500 0.000 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.643 ppm2 1.370 CV 1 ASSI { 2166} (( segid " " and resid 142 and name HG1 )) (( segid " " and resid 142 and name HB1 )) 6.000 4.500 0.000 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.802 ppm2 2.082 CV 1 ASSI { 2169} (( segid " " and resid 105 and name HB )) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.999 ppm2 1.016 CV 1 OR { 2169} (( segid " " and resid 105 and name HB )) ( segid " " and resid 105 and name HG2%) ASSI { 2172} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HG2 )) 6.000 4.500 0.000 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.764 ppm2 1.169 CV 1 ASSI { 2178} (( segid " " and resid 142 and name HG1 )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.799 ppm2 1.026 CV 1 ASSI { 2180} (( segid " " and resid 142 and name HG2 )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.654 ppm2 1.030 CV 1 ASSI { 2183} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.382 ppm2 3.901 CV 1 ASSI { 2184} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HN )) 6.000 4.500 0.000 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.375 ppm2 8.887 CV 1 ASSI { 2186} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.371 ppm2 3.641 CV 1 ASSI { 2187} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HB1 )) 6.000 4.500 0.000 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.374 ppm2 1.881 CV 1 ASSI { 2188} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.371 ppm2 1.518 CV 1 ASSI { 2189} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 64 and name HD2%) 6.000 4.500 0.000 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.374 ppm2 0.734 CV 1 OR { 2189} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 64 and name HD1%) ASSI { 2194} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.279 ppm2 0.867 CV 1 ASSI { 2197} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HN )) 6.000 4.500 0.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.015 ppm2 7.994 CV 1 ASSI { 2199} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.891 ppm2 1.522 CV 1 ASSI { 2202} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.874 ppm2 2.734 CV 1 ASSI { 2204} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.877 ppm2 0.747 CV 1 ASSI { 2205} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.872 ppm2 0.610 CV 1 ASSI { 2206} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.870 ppm2 3.620 CV 1 ASSI { 2209} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HD1 )) 6.000 4.500 0.000 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.631 ppm2 3.231 CV 1 OR { 2209} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HD2 )) ASSI { 2217} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 48 and name HN )) 6.000 4.500 0.000 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.312 ppm2 8.502 CV 1 ASSI { 2218} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HD2 )) 6.000 4.500 0.000 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.306 ppm2 3.667 CV 1 OR { 2218} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HD1 )) ASSI { 2224} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 44 and name HD1 )) 6.000 4.500 0.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.165 ppm2 3.956 CV 1 OR { 2224} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HD1 )) ASSI { 2229} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 44 and name HA )) 6.000 4.500 0.000 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.927 ppm2 4.380 CV 1 ASSI { 2230} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 91 and name HB2 )) 6.000 4.500 0.000 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.865 ppm2 2.266 CV 1 ASSI { 2231} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.867 ppm2 0.882 CV 1 ASSI { 2235} (( segid " " and resid 110 and name HB2 )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.638 ppm2 0.467 CV 1 ASSI { 2239} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HN )) 6.000 4.500 0.000 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.366 ppm2 8.388 CV 1 OR { 2239} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 154 and name HN )) ASSI { 2240} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 155 and name HN )) 6.000 4.500 0.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.367 ppm2 7.438 CV 1 OR { 2240} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 155 and name HN )) ASSI { 2241} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.368 ppm2 2.970 CV 1 OR { 2241} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 126 and name HB1 )) ASSI { 2242} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG1 )) 6.000 4.500 0.000 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.368 ppm2 1.021 CV 1 OR { 2242} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 154 and name HG1 )) ASSI { 2243} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG2 )) 6.000 4.500 0.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.364 ppm2 0.714 CV 1 OR { 2243} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 154 and name HG2 )) ASSI { 2244} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 111 and name HN )) 6.000 4.500 0.000 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.360 ppm2 7.602 CV 1 ASSI { 2245} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 110 and name HD1 )) 6.000 4.500 0.000 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.358 ppm2 3.232 CV 1 OR { 2245} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 110 and name HD2 )) ASSI { 2247} (( segid " " and resid 110 and name HB1 )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.359 ppm2 0.457 CV 1 ASSI { 2250} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HB1 )) 6.000 4.500 0.000 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.423 ppm2 2.939 CV 1 ASSI { 2252} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.416 ppm2 7.221 CV 1 ASSI { 2255} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 28 and name HD1%) 6.000 4.500 0.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.413 ppm2 0.774 CV 1 ASSI { 2256} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.416 ppm2 0.629 CV 1 ASSI { 2260} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 28 and name HD1%) 6.000 4.500 0.000 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.947 ppm2 0.773 CV 1 ASSI { 2261} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.939 ppm2 0.602 CV 1 ASSI { 2264} (( segid " " and resid 138 and name HB1 )) (( segid " " and resid 138 and name HD1 )) 6.000 4.500 0.000 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.387 ppm2 4.024 CV 1 OR { 2264} (( segid " " and resid 138 and name HB1 )) (( segid " " and resid 138 and name HD2 )) ASSI { 2271} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HG2 )) 6.000 4.500 0.000 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.936 ppm2 1.513 CV 1 OR { 2271} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HG2 )) ASSI { 2282} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HN )) 6.000 4.500 0.000 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.482 ppm2 8.068 CV 1 ASSI { 2286} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.695 ppm2 2.122 CV 1 ASSI { 2287} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.699 ppm2 1.944 CV 1 ASSI { 2288} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 138 and name HB2 )) 6.000 4.500 0.000 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.700 ppm2 1.849 CV 1 ASSI { 2289} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 115 and name HB2 )) 6.000 4.500 0.000 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.684 ppm2 2.989 CV 1 ASSI { 2294} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.992 ppm2 2.147 CV 1 ASSI { 2295} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.996 ppm2 1.951 CV 1 ASSI { 2300} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HD1 )) 6.000 4.500 0.000 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.921 ppm2 1.687 CV 1 OR { 2300} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HD2 )) OR { 2300} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HD1 )) OR { 2300} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HD2 )) ASSI { 2307} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HD2 )) 6.000 4.500 0.000 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.331 ppm2 6.963 CV 1 ASSI { 2310} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.319 ppm2 3.111 CV 1 ASSI { 2315} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 33 and name HB )) 6.000 4.500 0.000 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.110 ppm2 1.765 CV 1 ASSI { 2317} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HD2 )) 6.000 4.500 0.000 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.105 ppm2 6.971 CV 1 ASSI { 2320} (( segid " " and resid 2 and name HB )) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.756 ppm2 4.214 CV 1 ASSI { 2321} (( segid " " and resid 2 and name HB )) ( segid " " and resid 2 and name HG2%) 6.000 4.500 0.000 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.748 ppm2 0.759 CV 1 ASSI { 2322} (( segid " " and resid 2 and name HB )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.749 ppm2 0.125 CV 1 ASSI { 2328} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.579 ppm2 0.806 CV 1 ASSI { 2332} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HB1 )) 6.000 4.500 0.000 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.489 ppm2 1.999 CV 1 ASSI { 2333} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HG1 )) 6.000 4.500 0.000 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.384 ppm2 2.500 CV 1 ASSI { 2338} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.371 ppm2 4.229 CV 1 ASSI { 2339} (( segid " " and resid 104 and name HB1 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.374 ppm2 0.619 CV 1 ASSI { 2349} (( segid " " and resid 104 and name HB2 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.167 ppm2 0.615 CV 1 ASSI { 2350} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG1 )) 6.000 4.500 0.000 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.154 ppm2 2.519 CV 1 ASSI { 2351} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HB1 )) 6.000 4.500 0.000 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.152 ppm2 2.368 CV 1 ASSI { 2352} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.153 ppm2 1.401 CV 1 ASSI { 2356} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HA )) 6.000 4.500 0.000 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.996 ppm2 5.104 CV 1 ASSI { 2357} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.992 ppm2 3.738 CV 1 ASSI { 2364} (( segid " " and resid 18 and name HB )) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.592 ppm2 3.453 CV 1 ASSI { 2365} (( segid " " and resid 18 and name HB )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.594 ppm2 0.166 CV 1 ASSI { 2370} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 121 and name HB2 )) 6.000 4.500 0.000 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.967 ppm2 -0.373 CV 1 ASSI { 2374} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 76 and name HB )) 6.000 4.500 0.000 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.607 ppm2 1.906 CV 1 ASSI { 2377} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.592 ppm2 1.863 CV 1 ASSI { 2380} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 51 and name HG1 )) 6.000 4.500 0.000 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.488 ppm2 1.861 CV 1 OR { 2380} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 51 and name HG2 )) ASSI { 2383} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.125 ppm2 3.516 CV 1 ASSI { 2384} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.121 ppm2 0.942 CV 1 ASSI { 2385} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 125 and name HN )) 6.000 6.000 0.000 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.114 ppm2 7.471 CV 1 ASSI { 2386} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.117 ppm2 1.606 CV 1 OR { 2386} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HG1 )) ASSI { 2400} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.859 ppm2 8.309 CV 1 ASSI { 2402} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.858 ppm2 0.766 CV 1 ASSI { 2403} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) 6.000 4.500 0.000 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.847 ppm2 3.694 CV 1 ASSI { 2405} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 96 and name HD2%) 6.000 4.500 0.000 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.853 ppm2 0.943 CV 1 OR { 2405} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 96 and name HD1%) ASSI { 2410} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HB1 )) 6.000 4.500 0.000 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.797 ppm2 2.125 CV 1 ASSI { 2414} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HD1 )) 6.000 4.500 0.000 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.791 ppm2 3.255 CV 1 OR { 2414} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HD2 )) ASSI { 2420} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HA )) 6.000 4.500 0.000 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.600 ppm2 4.320 CV 1 ASSI { 2421} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HD2 )) 6.000 4.500 0.000 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.602 ppm2 2.532 CV 1 OR { 2421} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HD1 )) ASSI { 2422} (( segid " " and resid 18 and name HB )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.597 ppm2 -0.517 CV 1 ASSI { 2424} (( segid " " and resid 18 and name HB )) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.589 ppm2 8.520 CV 1 ASSI { 2427} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HB2 )) 6.000 4.500 0.000 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.597 ppm2 1.275 CV 1 ASSI { 2429} (( segid " " and resid 18 and name HB )) ( segid " " and resid 94 and name HD1%) 6.000 4.500 0.000 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.591 ppm2 0.749 CV 1 OR { 2429} (( segid " " and resid 18 and name HB )) ( segid " " and resid 94 and name HD2%) ASSI { 2430} (( segid " " and resid 18 and name HB )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.587 ppm2 0.646 CV 1 ASSI { 2431} (( segid " " and resid 18 and name HB )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.588 ppm2 0.295 CV 1 ASSI { 2434} (( segid " " and resid 148 and name HB2 )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.265 ppm2 1.261 CV 1 ASSI { 2435} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.256 ppm2 8.290 CV 1 ASSI { 2436} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.254 ppm2 7.563 CV 1 ASSI { 2437} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.253 ppm2 4.228 CV 1 ASSI { 2438} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.250 ppm2 7.415 CV 1 ASSI { 2439} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HD2 )) 6.000 4.500 0.000 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.249 ppm2 6.980 CV 1 ASSI { 2440} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HA )) 6.000 4.500 0.000 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.245 ppm2 4.444 CV 1 ASSI { 2444} (( segid " " and resid 148 and name HB1 )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.177 ppm2 1.255 CV 1 ASSI { 2445} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.169 ppm2 8.287 CV 1 ASSI { 2446} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.172 ppm2 7.563 CV 1 ASSI { 2447} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 148 and name HD2 )) 6.000 4.500 0.000 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.172 ppm2 6.987 CV 1 ASSI { 2449} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.165 ppm2 4.226 CV 1 ASSI { 2450} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.171 ppm2 3.514 CV 1 ASSI { 2453} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.619 ppm2 6.791 CV 1 ASSI { 2455} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 127 and name HD2 )) 6.000 4.500 0.000 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.618 ppm2 3.234 CV 1 ASSI { 2456} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.624 ppm2 1.440 CV 1 ASSI { 2457} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.624 ppm2 1.352 CV 1 ASSI { 2461} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.930 ppm2 7.146 CV 1 ASSI { 2476} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.759 ppm2 2.270 CV 1 ASSI { 2477} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.761 ppm2 2.059 CV 1 ASSI { 2484} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.260 ppm2 0.506 CV 1 ASSI { 2487} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.520 ppm2 1.716 CV 1 ASSI { 2488} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.522 ppm2 1.102 CV 1 ASSI { 2496} (( segid " " and resid 118 and name HG1 )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.291 ppm2 1.960 CV 1 ASSI { 2500} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.273 ppm2 1.810 CV 1 ASSI { 2503} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 152 and name HN )) 6.000 4.500 0.000 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.178 ppm2 7.226 CV 1 ASSI { 2504} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 144 and name HB1 )) 6.000 4.500 0.000 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.185 ppm2 2.129 CV 1 ASSI { 2509} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 158 and name HB1 )) 6.000 4.500 0.000 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.126 ppm2 2.803 CV 1 ASSI { 2511} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 157 and name HB1 )) 6.000 4.500 0.000 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.101 ppm2 1.745 CV 1 ASSI { 2520} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 71 and name HD21)) 6.000 4.500 0.000 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.154 ppm2 7.169 CV 1 ASSI { 2521} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 51 and name HD2 )) 6.000 4.500 0.000 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.155 ppm2 3.786 CV 1 OR { 2521} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 51 and name HD2 )) ASSI { 2522} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 118 and name HG1 )) 6.000 4.500 0.000 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.151 ppm2 3.304 CV 1 ASSI { 2523} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 119 and name HG2 )) 6.000 4.500 0.000 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.154 ppm2 1.241 CV 1 ASSI { 2525} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.261 ppm2 8.739 CV 1 ASSI { 2527} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.263 ppm2 2.198 CV 1 ASSI { 2528} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.263 ppm2 1.720 CV 1 ASSI { 2531} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.253 ppm2 0.312 CV 1 ASSI { 2535} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 69 and name HD2%) 6.000 4.500 0.000 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.520 ppm2 0.940 CV 1 OR { 2535} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 69 and name HD1%) ASSI { 2540} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HA )) 6.000 4.500 0.000 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.642 ppm2 3.874 CV 1 ASSI { 2543} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.635 ppm2 2.270 CV 1 OR { 2543} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HG2 )) ASSI { 2548} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.289 ppm2 2.625 CV 1 ASSI { 2549} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HG1 )) 6.000 4.500 0.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.274 ppm2 2.549 CV 1 ASSI { 2551} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.264 ppm2 6.874 CV 1 ASSI { 2552} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HA )) 6.000 4.500 0.000 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.274 ppm2 3.884 CV 1 ASSI { 2553} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HB1 )) 6.000 4.500 0.000 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.265 ppm2 2.150 CV 1 ASSI { 2555} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 64 and name HD1%) 6.000 4.500 0.000 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.269 ppm2 0.735 CV 1 OR { 2555} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 64 and name HD2%) OR { 2555} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 64 and name HG )) ASSI { 2556} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.258 ppm2 8.156 CV 1 ASSI { 2557} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 65 and name HN )) 6.000 4.500 0.000 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.159 ppm2 8.372 CV 1 ASSI { 2558} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.164 ppm2 6.867 CV 1 ASSI { 2561} (( segid " " and resid 68 and name HB1 )) ( segid " " and resid 64 and name HD1%) 6.000 4.500 0.000 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.162 ppm2 0.732 CV 1 OR { 2561} (( segid " " and resid 68 and name HB1 )) ( segid " " and resid 64 and name HD2%) OR { 2561} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 64 and name HG )) ASSI { 2564} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.721 ppm2 1.261 CV 1 ASSI { 2572} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.251 ppm2 7.847 CV 1 ASSI { 2575} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HD2 )) 6.000 4.500 0.000 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.256 ppm2 2.950 CV 1 ASSI { 2576} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HB2 )) 6.000 4.500 0.000 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.256 ppm2 0.901 CV 1 ASSI { 2577} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HD2 )) 6.000 4.500 0.000 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.923 ppm2 2.955 CV 1 ASSI { 2585} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HD2 )) 6.000 4.500 0.000 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.283 ppm2 3.316 CV 1 ASSI { 2587} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.269 ppm2 1.875 CV 1 ASSI { 2590} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 111 and name HN )) 6.000 4.500 0.000 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.031 ppm2 7.607 CV 1 OR { 2590} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 111 and name HN )) ASSI { 2596} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HD1 )) 6.000 4.500 0.000 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.884 ppm2 3.154 CV 1 ASSI { 2598} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HN )) 6.000 4.500 0.000 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.876 ppm2 8.071 CV 1 ASSI { 2600} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HD2 )) 6.000 4.500 0.000 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.875 ppm2 3.323 CV 1 ASSI { 2606} (( segid " " and resid 33 and name HG11)) ( segid " " and resid 33 and name HG2%) 6.000 4.500 0.000 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.566 ppm2 0.767 CV 1 OR { 2606} (( segid " " and resid 33 and name HG12)) ( segid " " and resid 33 and name HG2%) ASSI { 2618} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 146 and name HN )) 6.000 4.500 0.000 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.318 ppm2 7.871 CV 1 ASSI { 2619} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.319 ppm2 6.732 CV 1 ASSI { 2620} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 146 and name HG12)) 6.000 4.500 0.000 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.317 ppm2 0.967 CV 1 ASSI { 2621} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.301 ppm2 9.281 CV 1 ASSI { 2626} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HB2 )) 6.000 4.500 0.000 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.229 ppm2 2.010 CV 1 ASSI { 2634} (( segid " " and resid 28 and name HG12)) (( segid " " and resid 25 and name HA )) 6.000 4.500 0.000 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.072 ppm2 3.859 CV 1 OR { 2634} (( segid " " and resid 28 and name HG11)) (( segid " " and resid 25 and name HA )) ASSI { 2638} (( segid " " and resid 28 and name HG12)) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.048 ppm2 3.652 CV 1 OR { 2638} (( segid " " and resid 28 and name HG11)) (( segid " " and resid 29 and name HD2 )) ASSI { 2639} (( segid " " and resid 109 and name HB2 )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.034 ppm2 1.225 CV 1 OR { 2639} (( segid " " and resid 109 and name HB1 )) ( segid " " and resid 108 and name HG2%) ASSI { 2640} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 77 and name HA )) 6.000 4.500 0.000 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.023 ppm2 3.651 CV 1 OR { 2640} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 77 and name HA )) ASSI { 2644} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HG1 )) 6.000 4.500 0.000 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.002 ppm2 2.400 CV 1 OR { 2644} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HG2 )) ASSI { 2651} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HB2 )) 6.000 4.500 0.000 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.856 ppm2 2.268 CV 1 OR { 2651} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HB2 )) ASSI { 2652} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HA )) 6.000 4.500 0.000 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.844 ppm2 4.289 CV 1 OR { 2652} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HA )) ASSI { 2659} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 23 and name HG2 )) 6.000 4.500 0.000 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.678 ppm2 1.515 CV 1 OR { 2659} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HG2 )) ASSI { 2660} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HG1 )) 6.000 4.500 0.000 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.678 ppm2 1.422 CV 1 OR { 2660} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 23 and name HG1 )) ASSI { 2665} (( segid " " and resid 23 and name HD1 )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.669 ppm2 0.889 CV 1 ASSI { 2667} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.552 ppm2 8.593 CV 1 OR { 2667} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 59 and name HN )) ASSI { 2669} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 31 and name HB1 )) 6.000 4.500 0.000 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.555 ppm2 3.605 CV 1 OR { 2669} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 31 and name HB2 )) OR { 2669} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 31 and name HB1 )) OR { 2669} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 31 and name HB2 )) ASSI { 2677} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.365 ppm2 2.976 CV 1 OR { 2677} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 126 and name HB1 )) ASSI { 2678} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 154 and name HN )) 6.000 4.500 0.000 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.359 ppm2 8.382 CV 1 OR { 2678} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 154 and name HN )) ASSI { 2679} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 155 and name HN )) 6.000 4.500 0.000 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.358 ppm2 7.461 CV 1 OR { 2679} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 155 and name HN )) ASSI { 2681} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 154 and name HE2 )) 6.000 4.500 0.000 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.359 ppm2 2.825 CV 1 OR { 2681} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 154 and name HE1 )) OR { 2681} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 154 and name HE2 )) OR { 2681} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 154 and name HE1 )) ASSI { 2682} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 154 and name HG1 )) 6.000 4.500 0.000 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.360 ppm2 1.015 CV 1 OR { 2682} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 154 and name HG1 )) ASSI { 2683} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 154 and name HG2 )) 6.000 4.500 0.000 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.359 ppm2 0.709 CV 1 OR { 2683} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 154 and name HG2 )) ASSI { 2695} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.317 ppm2 4.222 CV 1 ASSI { 2697} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HG2 )) 6.000 4.500 0.000 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.311 ppm2 2.469 CV 1 OR { 2697} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HG1 )) ASSI { 2698} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HG1 )) 6.000 4.500 0.000 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.311 ppm2 2.100 CV 1 ASSI { 2699} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.244 ppm2 9.272 CV 1 ASSI { 2700} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 146 and name HN )) 6.000 4.500 0.000 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.248 ppm2 7.870 CV 1 ASSI { 2701} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.245 ppm2 6.736 CV 1 ASSI { 2702} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 76 and name HA )) 6.000 4.500 0.000 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.201 ppm2 3.768 CV 1 ASSI { 2705} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HA )) 6.000 4.500 0.000 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.182 ppm2 4.162 CV 1 ASSI { 2706} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HG2 )) 6.000 4.500 0.000 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.178 ppm2 2.603 CV 1 ASSI { 2711} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HG1 )) 6.000 4.500 0.000 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.108 ppm2 2.452 CV 1 ASSI { 2717} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG2 )) 6.000 4.500 0.000 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.835 ppm2 2.133 CV 1 OR { 2717} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) ASSI { 2720} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.824 ppm2 8.174 CV 1 OR { 2720} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 69 and name HN )) ASSI { 2723} (( segid " " and resid 5 and name HG12)) (( segid " " and resid 5 and name HG11)) 6.000 4.500 0.000 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.530 ppm2 1.093 CV 1 ASSI { 2727} (( segid " " and resid 54 and name HG )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.111 ppm2 0.175 CV 1 ASSI { 2728} (( segid " " and resid 54 and name HG )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.115 ppm2 -0.528 CV 1 ASSI { 2731} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 17 and name HE22)) 6.000 4.500 0.000 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.329 ppm2 7.762 CV 1 OR { 2731} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 17 and name HE22)) ASSI { 2732} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.302 ppm2 1.735 CV 1 ASSI { 2734} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HA )) 6.000 4.500 0.000 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.292 ppm2 4.541 CV 1 ASSI { 2737} (( segid " " and resid 98 and name HG12)) (( segid " " and resid 98 and name HG11)) 6.000 4.500 0.000 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.862 ppm2 0.939 CV 1 ASSI { 2738} (( segid " " and resid 98 and name HG12)) ( segid " " and resid 98 and name HG2%) 6.000 4.500 0.000 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.863 ppm2 0.790 CV 1 ASSI { 2740} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.741 ppm2 8.287 CV 1 ASSI { 2741} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HB2 )) 6.000 4.500 0.000 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.740 ppm2 2.301 CV 1 OR { 2741} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HG2 )) ASSI { 2743} (( segid " " and resid 100 and name HG )) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.620 ppm2 6.823 CV 1 ASSI { 2744} (( segid " " and resid 100 and name HG )) ( segid " " and resid 100 and name HD1%) 6.000 4.500 0.000 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.602 ppm2 0.659 CV 1 ASSI { 2746} (( segid " " and resid 146 and name HG11)) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.587 ppm2 0.477 CV 1 ASSI { 2747} (( segid " " and resid 5 and name HG11)) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.083 ppm2 1.749 CV 1 ASSI { 2752} (( segid " " and resid 146 and name HG12)) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.975 ppm2 1.591 CV 1 ASSI { 2753} (( segid " " and resid 146 and name HG12)) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.967 ppm2 0.475 CV 1 ASSI { 2756} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 72 and name HB1 )) 6.000 4.500 0.000 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.009 ppm2 2.978 CV 1 OR { 2756} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 72 and name HB1 )) ASSI { 2768} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.029 ppm2 1.219 CV 1 ASSI { 2770} (( segid " " and resid 127 and name HG2 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.020 ppm2 7.133 CV 1 ASSI { 2775} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.019 ppm2 1.441 CV 1 ASSI { 2776} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.000 ppm2 2.919 CV 1 ASSI { 2777} (( segid " " and resid 29 and name HG2 )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.994 ppm2 0.608 CV 1 OR { 2777} (( segid " " and resid 29 and name HG1 )) ( segid " " and resid 28 and name HG2%) ASSI { 2786} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.774 ppm2 3.621 CV 1 ASSI { 2790} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HN )) 6.000 4.500 0.000 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.638 ppm2 9.590 CV 1 ASSI { 2793} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.623 ppm2 3.385 CV 1 OR { 2793} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 152 and name HB2 )) ASSI { 2794} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.614 ppm2 3.518 CV 1 OR { 2794} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HA )) ASSI { 2796} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.595 ppm2 3.515 CV 1 ASSI { 2809} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 71 and name HD21)) 6.000 4.500 0.000 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.484 ppm2 7.158 CV 1 ASSI { 2811} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HD1 )) 6.000 4.500 0.000 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.462 ppm2 3.216 CV 1 OR { 2811} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HD2 )) ASSI { 2826} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 6.000 4.500 0.000 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.175 ppm2 4.197 CV 1 OR { 2826} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 2829} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 45 and name HG )) 6.000 4.500 0.000 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.126 ppm2 1.532 CV 1 ASSI { 2830} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 43 and name HD1 )) 6.000 4.500 0.000 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.112 ppm2 3.833 CV 1 OR { 2830} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 43 and name HD2 )) ASSI { 2831} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.113 ppm2 2.481 CV 1 ASSI { 2833} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.049 ppm2 2.468 CV 1 ASSI { 2834} (( segid " " and resid 44 and name HG1 )) (( segid " " and resid 48 and name HE21)) 6.000 4.500 0.000 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.032 ppm2 6.894 CV 1 ASSI { 2839} (( segid " " and resid 44 and name HG1 )) (( segid " " and resid 47 and name HD2 )) 6.000 4.500 0.000 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.021 ppm2 3.674 CV 1 OR { 2839} (( segid " " and resid 44 and name HG1 )) (( segid " " and resid 47 and name HD1 )) ASSI { 2843} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) 6.000 4.500 0.000 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.980 ppm2 8.889 CV 1 ASSI { 2861} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HD2 )) 6.000 4.500 0.000 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.794 ppm2 3.406 CV 1 OR { 2861} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 133 and name HD2 )) ASSI { 2863} (( segid " " and resid 110 and name HG1 )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.799 ppm2 0.704 CV 1 ASSI { 2869} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 110 and name HG2 )) 6.000 4.500 0.000 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.776 ppm2 1.480 CV 1 ASSI { 2875} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.626 ppm2 7.434 CV 1 OR { 2875} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 147 and name HN )) ASSI { 2876} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.625 ppm2 6.772 CV 1 OR { 2876} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 126 and name HD1 )) ASSI { 2877} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.627 ppm2 2.922 CV 1 OR { 2877} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 126 and name HB1 )) ASSI { 2878} (( segid " " and resid 96 and name HG )) (( segid " " and resid 74 and name HA )) 6.000 4.500 0.000 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.610 ppm2 4.203 CV 1 ASSI { 2879} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.606 ppm2 2.940 CV 1 ASSI { 2883} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HD2 )) 6.000 4.500 0.000 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.493 ppm2 2.937 CV 1 ASSI { 2891} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 71 and name HD22)) 6.000 4.500 0.000 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.463 ppm2 7.401 CV 1 ASSI { 2894} (( segid " " and resid 110 and name HG2 )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.466 ppm2 0.478 CV 1 ASSI { 2899} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.715 ppm2 8.973 CV 1 ASSI { 2900} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HN )) 6.000 4.500 0.000 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.716 ppm2 8.809 CV 1 ASSI { 2901} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.712 ppm2 3.802 CV 1 ASSI { 2904} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.711 ppm2 1.268 CV 1 ASSI { 2907} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 4 and name HD% ) 6.000 6.000 0.000 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.660 ppm2 6.810 CV 1 ASSI { 2912} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 100 and name HD2%) 6.000 4.500 0.000 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.665 ppm2 1.045 CV 1 ASSI { 2913} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.660 ppm2 0.084 CV 1 ASSI { 2918} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.027 ppm2 6.774 CV 1 ASSI { 2922} (( segid " " and resid 126 and name HB1 )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.934 ppm2 6.772 CV 1 ASSI { 2923} (( segid " " and resid 126 and name HB1 )) (( segid " " and resid 127 and name HD1 )) 6.000 4.500 0.000 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.934 ppm2 3.158 CV 1 ASSI { 2924} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 63 and name HN )) 6.000 4.500 0.000 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.396 ppm2 8.234 CV 1 ASSI { 2925} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.393 ppm2 0.746 CV 1 ASSI { 2926} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) 6.000 4.500 0.000 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.385 ppm2 8.897 CV 1 ASSI { 2927} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 63 and name HB2 )) 6.000 4.500 0.000 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.389 ppm2 4.044 CV 1 OR { 2927} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 63 and name HB1 )) ASSI { 2929} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HG1 )) 6.000 4.500 0.000 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.387 ppm2 2.115 CV 1 ASSI { 2930} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HB2 )) 6.000 4.500 0.000 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.389 ppm2 1.999 CV 1 ASSI { 2931} (( segid " " and resid 25 and name HG )) ( segid " " and resid 25 and name HD1%) 6.000 4.500 0.000 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.938 ppm2 0.827 CV 1 OR { 2931} (( segid " " and resid 25 and name HG )) ( segid " " and resid 25 and name HD2%) ASSI { 2935} (( segid " " and resid 78 and name HG )) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.720 ppm2 7.618 CV 1 ASSI { 2936} (( segid " " and resid 78 and name HG )) (( segid " " and resid 78 and name HA )) 6.000 4.500 0.000 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.721 ppm2 4.069 CV 1 ASSI { 2941} (( segid " " and resid 96 and name HG )) ( segid " " and resid 96 and name HD1%) 6.000 4.500 0.000 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.605 ppm2 0.909 CV 1 OR { 2941} (( segid " " and resid 96 and name HG )) ( segid " " and resid 96 and name HD2%) ASSI { 2948} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.494 ppm2 7.846 CV 1 ASSI { 2949} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HA )) 6.000 4.500 0.000 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.499 ppm2 4.030 CV 1 ASSI { 2950} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HD1 )) 6.000 4.500 0.000 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.494 ppm2 3.106 CV 1 ASSI { 2958} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 150 and name HA )) 6.000 4.500 0.000 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.431 ppm2 4.033 CV 1 ASSI { 2959} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.427 ppm2 7.842 CV 1 ASSI { 2967} (( segid " " and resid 60 and name HG )) (( segid " " and resid 34 and name HB1 )) 6.000 4.500 0.000 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.293 ppm2 1.634 CV 1 ASSI { 2968} (( segid " " and resid 60 and name HG )) (( segid " " and resid 60 and name HB1 )) 6.000 4.500 0.000 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.276 ppm2 1.826 CV 1 ASSI { 2969} (( segid " " and resid 60 and name HG )) ( segid " " and resid 33 and name HD1%) 6.000 4.500 0.000 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.277 ppm2 0.889 CV 1 ASSI { 2973} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HB1 )) 6.000 4.500 0.000 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.204 ppm2 1.580 CV 1 ASSI { 2975} (( segid " " and resid 106 and name HG12)) (( segid " " and resid 106 and name HN )) 6.000 4.500 0.000 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.047 ppm2 9.396 CV 1 OR { 2975} (( segid " " and resid 106 and name HG11)) (( segid " " and resid 106 and name HN )) ASSI { 2992} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 64 and name HB2 )) 6.000 4.500 0.000 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.702 ppm2 1.461 CV 1 OR { 2992} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 64 and name HB2 )) ASSI { 2993} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 64 and name HN )) 6.000 4.500 0.000 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.697 ppm2 8.538 CV 1 OR { 2993} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 64 and name HN )) ASSI { 2994} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 65 and name HN )) 6.000 4.500 0.000 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.696 ppm2 8.363 CV 1 OR { 2994} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 65 and name HN )) ASSI { 2995} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.695 ppm2 8.183 CV 1 OR { 2995} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 69 and name HN )) ASSI { 2996} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.696 ppm2 7.213 CV 1 OR { 2996} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 72 and name HD2 )) ASSI { 3000} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 119 and name HN )) 6.000 4.500 0.000 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.490 ppm2 8.072 CV 1 ASSI { 3001} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 119 and name HA )) 6.000 4.500 0.000 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.470 ppm2 3.779 CV 1 ASSI { 3007} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.649 ppm2 2.269 CV 1 ASSI { 3009} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.634 ppm2 1.889 CV 1 ASSI { 3011} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.555 ppm2 2.277 CV 1 ASSI { 3019} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 150 and name HD1 )) 6.000 4.500 0.000 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.425 ppm2 3.076 CV 1 ASSI { 3024} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 85 and name HB1 )) 6.000 4.500 0.000 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.213 ppm2 1.664 CV 1 ASSI { 3026} (( segid " " and resid 135 and name HG )) (( segid " " and resid 135 and name HN )) 6.000 4.500 0.000 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.196 ppm2 7.243 CV 1 ASSI { 3030} (( segid " " and resid 69 and name HG )) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.001 ppm2 1.597 CV 1 ASSI { 3047} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 74 and name HG2 )) 6.000 4.500 0.000 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.457 ppm2 2.925 CV 1 ASSI { 3049} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.458 ppm2 1.304 CV 1 ASSI { 3050} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.455 ppm2 1.012 CV 1 ASSI { 3063} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 114 and name HG2 )) 6.000 4.500 0.000 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.458 ppm2 2.033 CV 1 ASSI { 3066} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 114 and name HB2 )) 6.000 4.500 0.000 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.451 ppm2 2.837 CV 1 ASSI { 3068} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 138 and name HD1 )) 6.000 4.500 0.000 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.440 ppm2 4.036 CV 1 OR { 3068} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 138 and name HD2 )) ASSI { 3070} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 114 and name HB2 )) 6.000 4.500 0.000 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.003 ppm2 2.836 CV 1 ASSI { 3071} (( segid " " and resid 114 and name HG2 )) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.004 ppm2 1.044 CV 1 OR { 3071} (( segid " " and resid 114 and name HG2 )) ( segid " " and resid 105 and name HG2%) ASSI { 3082} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HA )) 6.000 4.500 0.000 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.561 ppm2 4.116 CV 1 ASSI { 3083} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HN )) 6.000 4.500 0.000 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.550 ppm2 7.615 CV 1 ASSI { 3084} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HD2 )) 6.000 4.500 0.000 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.542 ppm2 3.317 CV 1 ASSI { 3091} (( segid " " and resid 111 and name HG )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.016 ppm2 0.311 CV 1 ASSI { 3092} (( segid " " and resid 69 and name HG )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.003 ppm2 7.682 CV 1 ASSI { 3094} (( segid " " and resid 69 and name HG )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.999 ppm2 2.192 CV 1 ASSI { 3095} (( segid " " and resid 69 and name HG )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.997 ppm2 8.151 CV 1 ASSI { 3096} (( segid " " and resid 69 and name HG )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.994 ppm2 7.217 CV 1 ASSI { 3098} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 97 and name HN )) 6.000 4.500 0.000 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.925 ppm2 8.825 CV 1 ASSI { 3101} (( segid " " and resid 147 and name HG )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.873 ppm2 -0.562 CV 1 ASSI { 3110} (( segid " " and resid 34 and name HG )) (( segid " " and resid 34 and name HN )) 6.000 4.500 0.000 peak 3110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.794 ppm2 9.156 CV 1 ASSI { 3111} (( segid " " and resid 34 and name HG )) (( segid " " and resid 61 and name HN )) 6.000 4.500 0.000 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.794 ppm2 8.778 CV 1 ASSI { 3112} (( segid " " and resid 34 and name HG )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.793 ppm2 7.361 CV 1 ASSI { 3113} (( segid " " and resid 34 and name HG )) (( segid " " and resid 34 and name HA )) 6.000 4.500 0.000 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.791 ppm2 4.503 CV 1 ASSI { 3114} (( segid " " and resid 34 and name HG )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.793 ppm2 0.126 CV 1 ASSI { 3116} (( segid " " and resid 34 and name HG )) (( segid " " and resid 61 and name HB2 )) 6.000 4.500 0.000 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.779 ppm2 1.708 CV 1 ASSI { 3117} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.783 ppm2 0.541 CV 1 ASSI { 3122} (( segid " " and resid 66 and name HG1 )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 0.326 CV 1 ASSI { 3124} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.559 ppm2 1.499 CV 1 OR { 3124} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 131 and name HG12)) ASSI { 3130} (( segid " " and resid 157 and name HG1 )) (( segid " " and resid 157 and name HG2 )) 6.000 4.500 0.000 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.561 ppm2 1.169 CV 1 ASSI { 3138} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 19 and name HA )) 6.000 4.500 0.000 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.092 ppm2 4.554 CV 1 ASSI { 3141} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.086 ppm2 7.752 CV 1 ASSI { 3144} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HG )) 6.000 4.500 0.000 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.088 ppm2 1.851 CV 1 ASSI { 3146} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 22 and name HD1%) 6.000 4.500 0.000 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.084 ppm2 0.840 CV 1 ASSI { 3157} ( segid " " and resid 128 and name HD1%) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.560 ppm2 6.800 CV 1 OR { 3157} ( segid " " and resid 128 and name HD2%) ( segid " " and resid 4 and name HD% ) ASSI { 3162} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.560 ppm2 0.944 CV 1 OR { 3162} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 143 and name HG )) ASSI { 3163} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.561 ppm2 0.276 CV 1 OR { 3163} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 128 and name HG )) ASSI { 3164} ( segid " " and resid 128 and name HD2%) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.559 ppm2 0.083 CV 1 OR { 3164} ( segid " " and resid 128 and name HD1%) ( segid " " and resid 135 and name HD1%) ASSI { 3167} ( segid " " and resid 54 and name HD1%) ( segid " " and resid 39 and name HD% ) 6.000 6.000 0.000 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.519 ppm2 6.972 CV 1 ASSI { 3173} ( segid " " and resid 54 and name HD1%) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.522 ppm2 1.460 CV 1 ASSI { 3178} ( segid " " and resid 54 and name HD1%) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.522 ppm2 0.286 CV 1 ASSI { 3179} ( segid " " and resid 54 and name HD1%) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.520 ppm2 0.172 CV 1 ASSI { 3180} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.528 ppm2 3.454 CV 1 ASSI { 3186} (( segid " " and resid 157 and name HG2 )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.184 ppm2 1.963 CV 1 ASSI { 3194} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 111 and name HA )) 6.000 4.500 0.000 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.284 ppm2 3.888 CV 1 ASSI { 3195} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 66 and name HD2 )) 6.000 4.500 0.000 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.288 ppm2 3.629 CV 1 ASSI { 3199} ( segid " " and resid 111 and name HD1%) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.286 ppm2 0.929 CV 1 ASSI { 3201} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 112 and name HN )) 6.000 4.500 0.000 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.280 ppm2 9.699 CV 1 ASSI { 3204} ( segid " " and resid 135 and name HD1%) ( segid " " and resid 4 and name HD% ) 6.000 6.000 0.000 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.083 ppm2 6.805 CV 1 ASSI { 3210} ( segid " " and resid 135 and name HD1%) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.080 ppm2 0.965 CV 1 ASSI { 3212} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HN )) 6.000 4.500 0.000 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.517 ppm2 8.697 CV 1 ASSI { 3222} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.643 ppm2 5.912 CV 1 ASSI { 3233} ( segid " " and resid 135 and name HD2%) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.373 ppm2 3.839 CV 1 ASSI { 3235} ( segid " " and resid 135 and name HD2%) (( segid " " and resid 135 and name HG )) 6.000 4.500 0.000 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.376 ppm2 1.222 CV 1 ASSI { 3236} ( segid " " and resid 135 and name HD2%) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.376 ppm2 0.984 CV 1 ASSI { 3237} ( segid " " and resid 135 and name HD2%) ( segid " " and resid 100 and name HD1%) 6.000 4.500 0.000 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.375 ppm2 0.645 CV 1 ASSI { 3239} ( segid " " and resid 135 and name HD2%) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.374 ppm2 0.095 CV 1 ASSI { 3250} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HB2 )) 6.000 4.500 0.000 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.430 ppm2 1.930 CV 1 OR { 3250} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HB1 )) ASSI { 3251} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HA )) 6.000 4.500 0.000 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.427 ppm2 3.965 CV 1 ASSI { 3255} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 154 and name HB2 )) 6.000 4.500 0.000 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.021 ppm2 1.361 CV 1 OR { 3255} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 154 and name HD1 )) OR { 3255} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 154 and name HB1 )) OR { 3255} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 154 and name HD2 )) ASSI { 3256} (( segid " " and resid 143 and name HG )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.975 ppm2 1.224 CV 1 ASSI { 3266} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.719 ppm2 2.979 CV 1 ASSI { 3268} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 69 and name HG )) 6.000 4.500 0.000 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.643 ppm2 0.980 CV 1 ASSI { 3277} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.522 ppm2 7.741 CV 1 ASSI { 3285} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 3285 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.420 ppm2 7.895 CV 1 ASSI { 3286} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3286 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.423 ppm2 7.751 CV 1 ASSI { 3288} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HE2 )) 6.000 4.500 0.000 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.420 ppm2 2.987 CV 1 OR { 3288} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HE1 )) ASSI { 3294} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HA )) 6.000 4.500 0.000 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.323 ppm2 4.359 CV 1 ASSI { 3295} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HB2 )) 6.000 4.500 0.000 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.314 ppm2 1.797 CV 1 ASSI { 3296} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HB1 )) 6.000 4.500 0.000 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.317 ppm2 1.664 CV 1 ASSI { 3300} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 4 and name HN )) 6.000 4.500 0.000 peak 3300 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.070 ppm2 8.574 CV 1 ASSI { 3302} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 101 and name HN )) 6.000 4.500 0.000 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.059 ppm2 9.777 CV 1 ASSI { 3311} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 138 and name HD2 )) 6.000 4.500 0.000 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.055 ppm2 4.016 CV 1 OR { 3311} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 138 and name HD1 )) ASSI { 3312} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.054 ppm2 3.826 CV 1 ASSI { 3314} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 4 and name HB2 )) 6.000 4.500 0.000 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.056 ppm2 2.695 CV 1 OR { 3314} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 4 and name HB1 )) ASSI { 3317} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HB1 )) 6.000 4.500 0.000 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.056 ppm2 1.803 CV 1 ASSI { 3318} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HG )) 6.000 4.500 0.000 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.057 ppm2 1.610 CV 1 ASSI { 3320} ( segid " " and resid 100 and name HD2%) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.057 ppm2 0.386 CV 1 ASSI { 3322} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.037 ppm2 2.979 CV 1 ASSI { 3326} (( segid " " and resid 143 and name HG )) (( segid " " and resid 143 and name HN )) 6.000 4.500 0.000 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.967 ppm2 8.414 CV 1 ASSI { 3329} (( segid " " and resid 143 and name HG )) (( segid " " and resid 129 and name HN )) 6.000 4.500 0.000 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.950 ppm2 8.629 CV 1 ASSI { 3330} (( segid " " and resid 15 and name HG )) (( segid " " and resid 15 and name HN )) 6.000 4.500 0.000 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.948 ppm2 8.184 CV 1 ASSI { 3331} (( segid " " and resid 15 and name HG )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 3331 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.949 ppm2 7.401 CV 1 ASSI { 3333} (( segid " " and resid 15 and name HG )) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 3333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.950 ppm2 3.463 CV 1 ASSI { 3335} (( segid " " and resid 143 and name HG )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.949 ppm2 1.950 CV 1 ASSI { 3346} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.818 ppm2 7.595 CV 1 OR { 3346} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 26 and name HN )) ASSI { 3350} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.822 ppm2 1.720 CV 1 OR { 3350} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 5 and name HB )) ASSI { 3354} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HE1 )) 6.000 4.500 0.000 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.713 ppm2 2.830 CV 1 OR { 3354} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HE2 )) ASSI { 3355} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HD1 )) 6.000 4.500 0.000 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.715 ppm2 1.358 CV 1 OR { 3355} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HD2 )) OR { 3355} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB2 )) OR { 3355} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB1 )) ASSI { 3361} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.473 ppm2 7.816 CV 1 ASSI { 3362} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 125 and name HN )) 6.000 4.500 0.000 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.469 ppm2 7.453 CV 1 ASSI { 3366} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 148 and name HB1 )) 6.000 4.500 0.000 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.470 ppm2 3.163 CV 1 ASSI { 3370} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.472 ppm2 0.918 CV 1 ASSI { 3371} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 147 and name HB1 )) 6.000 4.500 0.000 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.472 ppm2 0.686 CV 1 ASSI { 3372} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 147 and name HA )) 6.000 4.500 0.000 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.474 ppm2 3.666 CV 1 ASSI { 3377} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HN )) 6.000 4.500 0.000 peak 3377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.848 ppm2 8.560 CV 1 ASSI { 3379} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HA )) 6.000 4.500 0.000 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.844 ppm2 3.941 CV 1 ASSI { 3380} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.844 ppm2 2.081 CV 1 ASSI { 3381} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HB1 )) 6.000 4.500 0.000 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.850 ppm2 1.431 CV 1 ASSI { 3391} ( segid " " and resid 111 and name HD2%) (( segid " " and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.349 ppm2 1.287 CV 1 ASSI { 3392} ( segid " " and resid 111 and name HD2%) (( segid " " and resid 111 and name HG )) 6.000 4.500 0.000 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.351 ppm2 1.016 CV 1 ASSI { 3394} ( segid " " and resid 111 and name HD2%) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 3394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.346 ppm2 0.885 CV 1 ASSI { 3399} ( segid " " and resid 15 and name HD2%) (( segid " " and resid 15 and name HB1 )) 6.000 4.500 0.000 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.701 ppm2 1.457 CV 1 OR { 3399} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 15 and name HB1 )) ASSI { 3400} ( segid " " and resid 15 and name HD2%) (( segid " " and resid 15 and name HN )) 6.000 4.500 0.000 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.693 ppm2 8.199 CV 1 OR { 3400} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 15 and name HN )) ASSI { 3401} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.696 ppm2 3.454 CV 1 OR { 3401} ( segid " " and resid 15 and name HD2%) (( segid " " and resid 15 and name HA )) ASSI { 3402} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 3402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.654 ppm2 7.395 CV 1 ASSI { 3403} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.638 ppm2 8.526 CV 1 ASSI { 3405} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 9 and name HB1 )) 6.000 6.000 0.000 peak 3405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.640 ppm2 3.684 CV 1 ASSI { 3406} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 3406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.643 ppm2 3.467 CV 1 ASSI { 3408} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.639 ppm2 2.104 CV 1 ASSI { 3410} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 3410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.639 ppm2 0.290 CV 1 ASSI { 3411} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.640 ppm2 -0.519 CV 1 ASSI { 3416} ( segid " " and resid 56 and name HB% ) (( segid " " and resid 7 and name HN )) 6.000 4.500 0.000 peak 3416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.447 ppm2 8.802 CV 1 ASSI { 3417} ( segid " " and resid 56 and name HB% ) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 3417 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.448 ppm2 6.963 CV 1 ASSI { 3419} ( segid " " and resid 56 and name HB% ) (( segid " " and resid 55 and name HA )) 6.000 4.500 0.000 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.449 ppm2 6.127 CV 1 ASSI { 3420} ( segid " " and resid 56 and name HB% ) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 3420 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.453 ppm2 5.647 CV 1 ASSI { 3432} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 3432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.639 ppm2 0.170 CV 1 ASSI { 3434} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.922 ppm2 8.154 CV 1 OR { 3434} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HN )) ASSI { 3439} (( segid " " and resid 155 and name HG )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 3439 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.909 ppm2 7.094 CV 1 ASSI { 3441} (( segid " " and resid 155 and name HG )) (( segid " " and resid 123 and name HA )) 6.000 4.500 0.000 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.917 ppm2 4.331 CV 1 ASSI { 3442} (( segid " " and resid 155 and name HG )) (( segid " " and resid 43 and name HD1 )) 6.000 4.500 0.000 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.918 ppm2 3.830 CV 1 OR { 3442} (( segid " " and resid 155 and name HG )) (( segid " " and resid 43 and name HD2 )) ASSI { 3443} (( segid " " and resid 155 and name HG )) (( segid " " and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 3443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.915 ppm2 3.396 CV 1 ASSI { 3451} (( segid " " and resid 94 and name HG )) (( segid " " and resid 94 and name HB1 )) 6.000 4.500 0.000 peak 3451 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.783 ppm2 1.710 CV 1 ASSI { 3453} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 110 and name HA )) 6.000 4.500 0.000 peak 3453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.690 ppm2 4.221 CV 1 ASSI { 3456} (( segid " " and resid 128 and name HG )) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.271 ppm2 6.817 CV 1 ASSI { 3458} (( segid " " and resid 128 and name HG )) (( segid " " and resid 142 and name HB1 )) 6.000 4.500 0.000 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.276 ppm2 2.052 CV 1 ASSI { 3472} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HA )) 6.000 4.500 0.000 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.241 ppm2 4.985 CV 1 ASSI { 3474} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HB )) 6.000 4.500 0.000 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.241 ppm2 4.150 CV 1 ASSI { 3478} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 43 and name HG2 )) 6.000 4.500 0.000 peak 3478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.245 ppm2 2.036 CV 1 ASSI { 3494} (( segid " " and resid 155 and name HG )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 3494 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.906 ppm2 6.768 CV 1 ASSI { 3496} (( segid " " and resid 94 and name HG )) (( segid " " and resid 9 and name HN )) 6.000 4.500 0.000 peak 3496 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.783 ppm2 8.553 CV 1 ASSI { 3499} (( segid " " and resid 94 and name HG )) (( segid " " and resid 9 and name HB1 )) 6.000 4.500 0.000 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.781 ppm2 3.680 CV 1 ASSI { 3502} (( segid " " and resid 94 and name HG )) (( segid " " and resid 95 and name HB1 )) 6.000 4.500 0.000 peak 3502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.785 ppm2 2.535 CV 1 ASSI { 3503} (( segid " " and resid 94 and name HG )) (( segid " " and resid 77 and name HG1 )) 6.000 4.500 0.000 peak 3503 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.783 ppm2 2.035 CV 1 ASSI { 3506} (( segid " " and resid 94 and name HG )) (( segid " " and resid 8 and name HN )) 6.000 4.500 0.000 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.772 ppm2 8.792 CV 1 ASSI { 3509} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 3509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.688 ppm2 7.662 CV 1 ASSI { 3515} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 3515 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.684 ppm2 1.850 CV 1 ASSI { 3516} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.681 ppm2 1.280 CV 1 ASSI { 3517} ( segid " " and resid 70 and name HD2%) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 3517 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.682 ppm2 0.443 CV 1 ASSI { 3524} (( segid " " and resid 128 and name HG )) (( segid " " and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 3524 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.275 ppm2 1.723 CV 1 ASSI { 3525} (( segid " " and resid 128 and name HG )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.274 ppm2 1.463 CV 1 ASSI { 3528} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 54 and name HN )) 6.000 4.500 0.000 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.173 ppm2 8.697 CV 1 ASSI { 3536} ( segid " " and resid 54 and name HD2%) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.172 ppm2 1.452 CV 1 ASSI { 3553} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 113 and name HA )) 6.000 4.500 0.000 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.857 ppm2 4.306 CV 1 ASSI { 3554} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 101 and name HB1 )) 6.000 4.500 0.000 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.856 ppm2 3.317 CV 1 ASSI { 3555} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 3555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.860 ppm2 2.310 CV 1 ASSI { 3558} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 3558 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.845 ppm2 2.188 CV 1 ASSI { 3574} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 37 and name HB2 )) 6.000 4.500 0.000 peak 3574 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.344 ppm2 4.060 CV 1 OR { 3574} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 37 and name HB1 )) ASSI { 3577} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 3577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.342 ppm2 1.931 CV 1 ASSI { 3580} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 128 and name HA )) 6.000 4.500 0.000 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.335 ppm2 3.807 CV 1 ASSI { 3581} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 3581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.335 ppm2 0.279 CV 1 ASSI { 3596} ( segid " " and resid 36 and name HG1%) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 3596 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.087 ppm2 8.602 CV 1 ASSI { 3605} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 3 and name HN )) 6.000 4.500 0.000 peak 3605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 9.272 CV 1 ASSI { 3606} (( segid " " and resid 64 and name HG )) (( segid " " and resid 30 and name HN )) 6.000 4.500 0.000 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.754 ppm2 8.903 CV 1 ASSI { 3609} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 102 and name HA2 )) 6.000 4.500 0.000 peak 3609 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 3.866 CV 1 OR { 3609} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 102 and name HA1 )) ASSI { 3613} ( segid " " and resid 2 and name HG2%) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.758 ppm2 0.130 CV 1 ASSI { 3614} (( segid " " and resid 64 and name HG )) (( segid " " and resid 64 and name HN )) 6.000 4.500 0.000 peak 3614 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.746 ppm2 8.537 CV 1 ASSI { 3616} (( segid " " and resid 64 and name HG )) (( segid " " and resid 63 and name HN )) 6.000 4.500 0.000 peak 3616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.746 ppm2 8.260 CV 1 ASSI { 3617} (( segid " " and resid 64 and name HG )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 3617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.747 ppm2 7.235 CV 1 ASSI { 3621} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 3621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.262 ppm2 7.846 CV 1 ASSI { 3626} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 146 and name HA )) 6.000 4.500 0.000 peak 3626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.264 ppm2 3.643 CV 1 ASSI { 3633} ( segid " " and resid 59 and name HB% ) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.237 ppm2 6.820 CV 1 ASSI { 3641} ( segid " " and resid 59 and name HB% ) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 3641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.237 ppm2 0.127 CV 1 ASSI { 3645} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 111 and name HN )) 6.000 4.500 0.000 peak 3645 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.202 ppm2 7.599 CV 1 ASSI { 3650} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 107 and name HD22)) 6.000 4.500 0.000 peak 3650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.165 ppm2 6.826 CV 1 ASSI { 3653} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 113 and name HN )) 6.000 4.500 0.000 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.145 ppm2 9.366 CV 1 ASSI { 3655} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 104 and name HN )) 6.000 4.500 0.000 peak 3655 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.151 ppm2 8.319 CV 1 ASSI { 3659} ( segid " " and resid 113 and name HG2%) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 3659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.147 ppm2 7.007 CV 1 ASSI { 3662} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 114 and name HD2 )) 6.000 4.500 0.000 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.146 ppm2 3.670 CV 1 ASSI { 3666} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.147 ppm2 2.318 CV 1 ASSI { 3671} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 3671 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.052 ppm2 3.425 CV 1 ASSI { 3676} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 3676 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.041 ppm2 2.799 CV 1 OR { 3676} ( segid " " and resid 136 and name HG1%) (( segid " " and resid 142 and name HG1 )) ASSI { 3677} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 3677 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.041 ppm2 2.652 CV 1 OR { 3677} ( segid " " and resid 136 and name HG1%) (( segid " " and resid 142 and name HG2 )) ASSI { 3678} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HB2 )) 6.000 4.500 0.000 peak 3678 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.041 ppm2 2.169 CV 1 OR { 3678} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HB1 )) ASSI { 3680} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 5 and name HN )) 6.000 4.500 0.000 peak 3680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.963 ppm2 9.520 CV 1 OR { 3680} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 5 and name HN )) ASSI { 3681} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.964 ppm2 9.302 CV 1 OR { 3681} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 60 and name HN )) ASSI { 3683} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 3683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.961 ppm2 7.362 CV 1 OR { 3683} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 35 and name HN )) ASSI { 3684} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.962 ppm2 3.892 CV 1 OR { 3684} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 33 and name HA )) ASSI { 3685} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.956 ppm2 8.595 CV 1 OR { 3685} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HN )) ASSI { 3687} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 3687 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.956 ppm2 1.748 CV 1 OR { 3687} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 5 and name HB )) ASSI { 3704} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 3704 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.561 ppm2 7.833 CV 1 ASSI { 3710} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 147 and name HB1 )) 6.000 4.500 0.000 peak 3710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.564 ppm2 0.699 CV 1 ASSI { 3711} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 3711 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.562 ppm2 0.332 CV 1 ASSI { 3712} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 3712 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.570 ppm2 4.082 CV 1 ASSI { 3713} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 119 and name HA )) 6.000 4.500 0.000 peak 3713 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.567 ppm2 3.805 CV 1 ASSI { 3714} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 3714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.566 ppm2 3.390 CV 1 ASSI { 3720} ( segid " " and resid 6 and name HB% ) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.751 ppm2 5.651 CV 1 ASSI { 3729} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 107 and name HD21)) 6.000 4.500 0.000 peak 3729 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.030 ppm2 7.797 CV 1 OR { 3729} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 107 and name HD21)) ASSI { 3730} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 107 and name HD22)) 6.000 4.500 0.000 peak 3730 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.028 ppm2 6.793 CV 1 OR { 3730} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 107 and name HD22)) ASSI { 3731} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 106 and name HN )) 6.000 4.500 0.000 peak 3731 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.019 ppm2 9.410 CV 1 OR { 3731} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 106 and name HN )) ASSI { 3737} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 138 and name HD1 )) 6.000 4.500 0.000 peak 3737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.009 ppm2 4.018 CV 1 OR { 3737} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 138 and name HD2 )) OR { 3737} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 138 and name HD1 )) OR { 3737} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 138 and name HD2 )) ASSI { 3750} (( segid " " and resid 1 and name HG21)) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 3750 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.512 ppm2 1.762 CV 1 ASSI { 3751} (( segid " " and resid 1 and name HG21)) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 3751 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.511 ppm2 1.203 CV 1 ASSI { 3755} ( segid " " and resid 6 and name HB% ) (( segid " " and resid 6 and name HN )) 6.000 4.500 0.000 peak 3755 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.749 ppm2 9.960 CV 1 ASSI { 3756} ( segid " " and resid 6 and name HB% ) (( segid " " and resid 58 and name HN )) 6.000 4.500 0.000 peak 3756 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.751 ppm2 9.167 CV 1 ASSI { 3763} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 113 and name HN )) 6.000 4.500 0.000 peak 3763 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.432 ppm2 9.346 CV 1 ASSI { 3773} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 99 and name HG2 )) 6.000 4.500 0.000 peak 3773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.432 ppm2 2.669 CV 1 ASSI { 3784} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 138 and name HA )) 6.000 4.500 0.000 peak 3784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.008 ppm2 4.486 CV 1 OR { 3784} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 138 and name HA )) ASSI { 3787} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 87 and name HA )) 6.000 4.500 0.000 peak 3787 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.959 ppm2 4.092 CV 1 OR { 3787} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 87 and name HA )) ASSI { 3790} (( segid " " and resid 1 and name HG21)) (( segid " " and resid 4 and name HN )) 6.000 4.500 0.000 peak 3790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.512 ppm2 8.573 CV 1 ASSI { 3792} (( segid " " and resid 1 and name HG21)) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.511 ppm2 7.004 CV 1 ASSI { 3793} (( segid " " and resid 1 and name HG21)) (( segid " " and resid 102 and name HA1 )) 6.000 4.500 0.000 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.512 ppm2 3.862 CV 1 OR { 3793} (( segid " " and resid 1 and name HG21)) (( segid " " and resid 102 and name HA2 )) ASSI { 3799} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 83 and name HN )) 6.000 4.500 0.000 peak 3799 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.976 ppm2 8.489 CV 1 OR { 3799} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 83 and name HN )) ASSI { 3801} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 3801 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.297 ppm2 8.532 CV 1 ASSI { 3804} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 3804 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.295 ppm2 3.458 CV 1 ASSI { 3806} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 9 and name HB2 )) 6.000 4.500 0.000 peak 3806 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.303 ppm2 3.189 CV 1 ASSI { 3809} ( segid " " and resid 18 and name HG1%) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 3809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.299 ppm2 1.089 CV 1 ASSI { 3810} ( segid " " and resid 18 and name HG1%) ( segid " " and resid 22 and name HD1%) 6.000 4.500 0.000 peak 3810 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.299 ppm2 0.823 CV 1 ASSI { 3821} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 3821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.130 ppm2 1.528 CV 1 ASSI { 3828} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 37 and name HN )) 6.000 4.500 0.000 peak 3828 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.330 ppm2 9.201 CV 1 ASSI { 3858} ( segid " " and resid 24 and name HB% ) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 3858 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.519 ppm2 0.853 CV 1 ASSI { 3860} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 76 and name HN )) 6.000 4.500 0.000 peak 3860 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.516 ppm2 8.054 CV 1 ASSI { 3863} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 3863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.518 ppm2 4.172 CV 1 ASSI { 3864} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 21 and name HA )) 6.000 4.500 0.000 peak 3864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.518 ppm2 3.952 CV 1 ASSI { 3866} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 76 and name HG11)) 6.000 4.500 0.000 peak 3866 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.514 ppm2 2.089 CV 1 OR { 3866} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 76 and name HG12)) ASSI { 3867} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 76 and name HA )) 6.000 4.500 0.000 peak 3867 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.502 ppm2 3.774 CV 1 ASSI { 3883} ( segid " " and resid 132 and name HB% ) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 3883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.992 ppm2 0.375 CV 1 ASSI { 3884} ( segid " " and resid 132 and name HB% ) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 3884 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.991 ppm2 0.098 CV 1 ASSI { 3893} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 20 and name HN )) 6.000 4.500 0.000 peak 3893 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.445 ppm2 8.185 CV 1 ASSI { 3894} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 3894 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.451 ppm2 7.888 CV 1 ASSI { 3895} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.442 ppm2 7.759 CV 1 ASSI { 3896} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 18 and name HA )) 6.000 4.500 0.000 peak 3896 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.442 ppm2 3.323 CV 1 ASSI { 3901} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 3901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.093 ppm2 2.185 CV 1 ASSI { 3910} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 3910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.915 ppm2 5.495 CV 1 ASSI { 3912} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 3912 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.915 ppm2 1.412 CV 1 ASSI { 3913} ( segid " " and resid 106 and name HG2%) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 3913 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.913 ppm2 0.607 CV 1 ASSI { 3938} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 21 and name HN )) 6.000 4.500 0.000 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.526 ppm2 8.592 CV 1 ASSI { 3943} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.526 ppm2 4.180 CV 1 ASSI { 3944} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 80 and name HB1 )) 6.000 4.500 0.000 peak 3944 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.524 ppm2 2.300 CV 1 OR { 3944} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 80 and name HB2 )) ASSI { 3945} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 17 and name HB1 )) 6.000 4.500 0.000 peak 3945 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.523 ppm2 1.973 CV 1 ASSI { 3985} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 21 and name HN )) 6.000 4.500 0.000 peak 3985 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.850 ppm2 8.582 CV 1 ASSI { 3994} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 119 and name HE1 )) 6.000 4.500 0.000 peak 3994 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.743 ppm2 2.274 CV 1 ASSI { 4026} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 4026 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.848 ppm2 7.889 CV 1 ASSI { 4031} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 4031 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 7.350 CV 1 ASSI { 4045} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 5 and name HN )) 6.000 4.500 0.000 peak 4045 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.830 ppm2 9.538 CV 1 ASSI { 4049} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.826 ppm2 5.452 CV 1 ASSI { 4050} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.824 ppm2 1.733 CV 1 ASSI { 4052} ( segid " " and resid 28 and name HG2%) (( segid " " and resid 29 and name HA )) 6.000 4.500 0.000 peak 4052 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.598 ppm2 4.336 CV 1 ASSI { 4059} ( segid " " and resid 28 and name HG2%) (( segid " " and resid 69 and name HA )) 6.000 4.500 0.000 peak 4059 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.592 ppm2 4.161 CV 1 ASSI { 4064} ( segid " " and resid 28 and name HG2%) (( segid " " and resid 28 and name HG12)) 6.000 4.500 0.000 peak 4064 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.593 ppm2 2.049 CV 1 OR { 4064} ( segid " " and resid 28 and name HG2%) (( segid " " and resid 28 and name HG11)) ASSI { 4065} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 4065 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.201 ppm2 7.848 CV 1 ASSI { 4072} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.795 ppm2 3.647 CV 1 ASSI { 4077} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 4077 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.477 ppm2 7.424 CV 1 ASSI { 4078} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 119 and name HA )) 6.000 4.500 0.000 peak 4078 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.478 ppm2 3.784 CV 1 ASSI { 4089} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 4089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.473 ppm2 4.083 CV 1 ASSI { 4092} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 119 and name HB1 )) 6.000 4.500 0.000 peak 4092 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.474 ppm2 1.456 CV 1 ASSI { 4141} ( segid " " and resid 106 and name HD1%) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 4141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.614 ppm2 7.000 CV 1 ASSI { 4152} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB )) 6.000 4.500 0.000 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.868 ppm2 1.763 CV 1 ASSI { 4153} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG12)) 6.000 4.500 0.000 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.870 ppm2 1.565 CV 1 OR { 4153} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG11)) ASSI { 4155} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 4155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.864 ppm2 8.582 CV 1 ASSI { 4157} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 4157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.864 ppm2 7.342 CV 1 ASSI { 4159} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 25 and name HB1 )) 6.000 4.500 0.000 peak 4159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.863 ppm2 2.112 CV 1 ASSI { 1} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 6.000 4.500 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.281 ppm2 4.972 CV 1 ASSI { 2} (( segid " " and resid 3 and name HN )) (( segid " " and resid 101 and name HA )) 6.000 4.500 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.286 ppm2 4.529 CV 1 ASSI { 5} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 6.000 4.500 0.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.274 ppm2 8.612 CV 1 ASSI { 6} (( segid " " and resid 3 and name HN )) (( segid " " and resid 102 and name HN )) 6.000 4.500 0.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.278 ppm2 8.378 CV 1 ASSI { 7} (( segid " " and resid 3 and name HN )) (( segid " " and resid 61 and name HA )) 6.000 4.500 0.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.277 ppm2 4.744 CV 1 ASSI { 9} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.276 ppm2 4.219 CV 1 ASSI { 12} (( segid " " and resid 3 and name HN )) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.277 ppm2 1.219 CV 1 ASSI { 13} (( segid " " and resid 3 and name HN )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.277 ppm2 1.082 CV 1 ASSI { 14} (( segid " " and resid 3 and name HN )) (( segid " " and resid 60 and name HB1 )) 6.000 4.500 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.275 ppm2 0.999 CV 1 ASSI { 15} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HG2%) 6.000 4.500 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.277 ppm2 0.779 CV 1 ASSI { 16} (( segid " " and resid 3 and name HN )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.277 ppm2 0.514 CV 1 ASSI { 17} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.275 ppm2 0.133 CV 1 ASSI { 23} (( segid " " and resid 6 and name HN )) (( segid " " and resid 98 and name HA )) 6.000 4.500 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.977 ppm2 4.189 CV 1 ASSI { 24} (( segid " " and resid 6 and name HN )) (( segid " " and resid 99 and name HG2 )) 6.000 4.500 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.973 ppm2 2.655 CV 1 ASSI { 25} (( segid " " and resid 6 and name HN )) (( segid " " and resid 99 and name HG1 )) 6.000 4.500 0.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.974 ppm2 2.191 CV 1 ASSI { 26} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG12)) 6.000 4.500 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.975 ppm2 1.548 CV 1 ASSI { 28} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.973 ppm2 0.829 CV 1 ASSI { 29} (( segid " " and resid 6 and name HN )) (( segid " " and resid 99 and name HN )) 6.000 4.500 0.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.968 ppm2 9.562 CV 1 ASSI { 30} (( segid " " and resid 6 and name HN )) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.965 ppm2 5.443 CV 1 ASSI { 31} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 6.000 4.500 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.969 ppm2 4.953 CV 1 ASSI { 33} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.970 ppm2 1.751 CV 1 ASSI { 36} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.976 ppm2 5.615 CV 1 ASSI { 38} (( segid " " and resid 6 and name HN )) (( segid " " and resid 97 and name HB2 )) 6.000 4.500 0.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.966 ppm2 2.520 CV 1 ASSI { 47} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HN )) 6.000 4.500 0.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.550 ppm2 8.830 CV 1 ASSI { 48} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 6.000 4.500 0.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.553 ppm2 5.158 CV 1 ASSI { 50} (( segid " " and resid 96 and name HN )) (( segid " " and resid 77 and name HG2 )) 6.000 4.500 0.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.547 ppm2 2.822 CV 1 ASSI { 52} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.555 ppm2 1.599 CV 1 ASSI { 54} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB1 )) 6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.552 ppm2 0.958 CV 1 ASSI { 56} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 6.000 4.500 0.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.540 ppm2 9.249 CV 1 ASSI { 59} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB1 )) 6.000 4.500 0.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.550 ppm2 2.535 CV 1 ASSI { 77} (( segid " " and resid 106 and name HN )) (( segid " " and resid 114 and name HD2 )) 6.000 4.500 0.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.427 ppm2 3.670 CV 1 ASSI { 79} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HN )) 6.000 4.500 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.419 ppm2 8.188 CV 1 ASSI { 80} (( segid " " and resid 106 and name HN )) (( segid " " and resid 112 and name HA )) 6.000 4.500 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.421 ppm2 5.217 CV 1 ASSI { 81} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 6.000 4.500 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.416 ppm2 4.665 CV 1 ASSI { 85} (( segid " " and resid 106 and name HN )) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.418 ppm2 1.861 CV 1 ASSI { 86} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.416 ppm2 1.419 CV 1 ASSI { 87} (( segid " " and resid 106 and name HN )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.414 ppm2 1.142 CV 1 ASSI { 89} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.416 ppm2 0.897 CV 1 ASSI { 90} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.419 ppm2 0.614 CV 1 ASSI { 95} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 6.000 4.500 0.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.415 ppm2 9.201 CV 1 ASSI { 97} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.415 ppm2 2.189 CV 1 ASSI { 98} (( segid " " and resid 132 and name HN )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.328 ppm2 2.897 CV 1 ASSI { 102} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HN )) 6.000 4.500 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 7.605 CV 1 ASSI { 104} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HN )) 6.000 4.500 0.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.322 ppm2 6.912 CV 1 ASSI { 106} (( segid " " and resid 132 and name HN )) (( segid " " and resid 128 and name HN )) 6.000 4.500 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 6.506 CV 1 ASSI { 108} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 6.000 4.500 0.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 4.765 CV 1 ASSI { 110} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 6.000 4.500 0.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 4.477 CV 1 ASSI { 111} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HA )) 6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.325 ppm2 4.115 CV 1 ASSI { 113} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HD2 )) 6.000 4.500 0.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.325 ppm2 3.419 CV 1 ASSI { 114} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HD1 )) 6.000 4.500 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 3.114 CV 1 ASSI { 116} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.327 ppm2 2.612 CV 1 ASSI { 117} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 2.271 CV 1 ASSI { 118} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB )) 6.000 4.500 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.321 ppm2 2.136 CV 1 ASSI { 119} (( segid " " and resid 132 and name HN )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 2.006 CV 1 ASSI { 120} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG1 )) 6.000 4.500 0.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 1.789 CV 1 OR { 120} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 121} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.324 ppm2 1.606 CV 1 ASSI { 122} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.322 ppm2 1.479 CV 1 ASSI { 125} (( segid " " and resid 132 and name HN )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 0.993 CV 1 ASSI { 127} (( segid " " and resid 132 and name HN )) ( segid " " and resid 128 and name HD1%) 6.000 4.500 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 0.589 CV 1 OR { 127} (( segid " " and resid 132 and name HN )) ( segid " " and resid 128 and name HD2%) ASSI { 129} (( segid " " and resid 132 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 0.282 CV 1 ASSI { 138} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.789 ppm2 9.312 CV 1 ASSI { 140} (( segid " " and resid 61 and name HN )) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.794 ppm2 8.981 CV 1 ASSI { 142} (( segid " " and resid 61 and name HN )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.788 ppm2 7.353 CV 1 ASSI { 143} (( segid " " and resid 61 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 5.917 CV 1 ASSI { 146} (( segid " " and resid 61 and name HN )) (( segid " " and resid 34 and name HA )) 6.000 4.500 0.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.792 ppm2 4.501 CV 1 ASSI { 147} (( segid " " and resid 61 and name HN )) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 3.873 CV 1 ASSI { 148} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HG2 )) 6.000 4.500 0.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.790 ppm2 2.205 CV 1 ASSI { 149} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HG1 )) 6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 1.905 CV 1 ASSI { 150} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB2 )) 6.000 4.500 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.787 ppm2 1.743 CV 1 ASSI { 151} (( segid " " and resid 61 and name HN )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 1.521 CV 1 ASSI { 153} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB1 )) 6.000 4.500 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 0.989 CV 1 ASSI { 154} (( segid " " and resid 61 and name HN )) (( segid " " and resid 34 and name HG )) 6.000 4.500 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.790 ppm2 0.793 CV 1 ASSI { 155} (( segid " " and resid 61 and name HN )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.792 ppm2 0.666 CV 1 ASSI { 161} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB )) 6.000 4.500 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.604 ppm2 1.958 CV 1 ASSI { 162} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.596 ppm2 9.323 CV 1 ASSI { 163} (( segid " " and resid 59 and name HN )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 7.358 CV 1 ASSI { 164} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 6.000 4.500 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 4.924 CV 1 ASSI { 165} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.603 ppm2 4.831 CV 1 ASSI { 167} (( segid " " and resid 59 and name HN )) (( segid " " and resid 35 and name HA )) 6.000 4.500 0.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 4.582 CV 1 ASSI { 168} (( segid " " and resid 59 and name HN )) (( segid " " and resid 35 and name HB )) 6.000 4.500 0.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.598 ppm2 4.090 CV 1 ASSI { 169} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HB2 )) 6.000 4.500 0.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.593 ppm2 1.805 CV 1 ASSI { 170} (( segid " " and resid 59 and name HN )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.601 ppm2 1.241 CV 1 ASSI { 171} (( segid " " and resid 59 and name HN )) (( segid " " and resid 5 and name HG11)) 6.000 4.500 0.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.597 ppm2 1.102 CV 1 ASSI { 172} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HG1%) 6.000 4.500 0.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 0.970 CV 1 OR { 172} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 173} (( segid " " and resid 59 and name HN )) ( segid " " and resid 33 and name HD1%) 6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.602 ppm2 0.855 CV 1 ASSI { 174} (( segid " " and resid 59 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.592 ppm2 0.115 CV 1 ASSI { 176} (( segid " " and resid 34 and name HN )) (( segid " " and resid 61 and name HN )) 6.000 4.500 0.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 8.784 CV 1 ASSI { 177} (( segid " " and resid 34 and name HN )) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.160 ppm2 8.598 CV 1 ASSI { 178} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.158 ppm2 7.357 CV 1 ASSI { 179} (( segid " " and resid 34 and name HN )) (( segid " " and resid 60 and name HA )) 6.000 4.500 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.158 ppm2 4.739 CV 1 ASSI { 180} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 6.000 4.500 0.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.159 ppm2 4.504 CV 1 ASSI { 181} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.157 ppm2 3.871 CV 1 ASSI { 182} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.158 ppm2 1.536 CV 1 ASSI { 190} (( segid " " and resid 2 and name HN )) (( segid " " and resid 102 and name HN )) 6.000 4.500 0.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.754 ppm2 8.392 CV 1 ASSI { 192} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.754 ppm2 4.219 CV 1 ASSI { 193} (( segid " " and resid 2 and name HN )) (( segid " " and resid 102 and name HA2 )) 6.000 4.500 0.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.754 ppm2 3.871 CV 1 OR { 193} (( segid " " and resid 2 and name HN )) (( segid " " and resid 102 and name HA1 )) ASSI { 195} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA )) 6.000 4.500 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.753 ppm2 3.610 CV 1 ASSI { 197} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.754 ppm2 1.754 CV 1 ASSI { 198} (( segid " " and resid 2 and name HN )) ( segid " " and resid 2 and name HG2%) 6.000 4.500 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.753 ppm2 0.768 CV 1 ASSI { 199} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.753 ppm2 0.518 CV 1 ASSI { 200} (( segid " " and resid 2 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.754 ppm2 0.135 CV 1 ASSI { 207} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HG12)) 6.000 4.500 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.598 ppm2 1.875 CV 1 ASSI { 211} (( segid " " and resid 99 and name HN )) (( segid " " and resid 4 and name HN )) 6.000 4.500 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 8.625 CV 1 ASSI { 212} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HN )) 6.000 4.500 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.585 ppm2 7.491 CV 1 ASSI { 213} (( segid " " and resid 99 and name HN )) (( segid " " and resid 5 and name HA )) 6.000 4.500 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.586 ppm2 4.957 CV 1 ASSI { 214} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 6.000 4.500 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.590 ppm2 4.533 CV 1 ASSI { 215} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 6.000 4.500 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 4.184 CV 1 ASSI { 216} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HG2 )) 6.000 4.500 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.586 ppm2 2.667 CV 1 ASSI { 218} (( segid " " and resid 99 and name HN )) (( segid " " and resid 118 and name HB1 )) 6.000 4.500 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.583 ppm2 1.938 CV 1 OR { 218} (( segid " " and resid 99 and name HN )) (( segid " " and resid 118 and name HB2 )) ASSI { 219} (( segid " " and resid 99 and name HN )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.586 ppm2 1.770 CV 1 ASSI { 220} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HG )) 6.000 4.500 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.585 ppm2 1.585 CV 1 ASSI { 221} (( segid " " and resid 99 and name HN )) (( segid " " and resid 5 and name HG12)) 6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.587 ppm2 1.550 CV 1 ASSI { 222} (( segid " " and resid 99 and name HN )) ( segid " " and resid 69 and name HD2%) 6.000 4.500 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 0.955 CV 1 ASSI { 223} (( segid " " and resid 99 and name HN )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.585 ppm2 0.824 CV 1 ASSI { 226} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.348 ppm2 5.213 CV 1 ASSI { 230} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 6.000 4.500 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.343 ppm2 9.697 CV 1 ASSI { 231} (( segid " " and resid 113 and name HN )) (( segid " " and resid 108 and name HN )) 6.000 4.500 0.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.345 ppm2 8.993 CV 1 ASSI { 233} (( segid " " and resid 113 and name HN )) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.344 ppm2 5.500 CV 1 ASSI { 234} (( segid " " and resid 60 and name HN )) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.338 ppm2 3.886 CV 1 ASSI { 238} (( segid " " and resid 60 and name HN )) (( segid " " and resid 33 and name HG12)) 6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.336 ppm2 1.584 CV 1 OR { 238} (( segid " " and resid 60 and name HN )) (( segid " " and resid 33 and name HG11)) ASSI { 240} (( segid " " and resid 113 and name HN )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.341 ppm2 0.867 CV 1 ASSI { 243} (( segid " " and resid 113 and name HN )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.337 ppm2 0.294 CV 1 ASSI { 244} (( segid " " and resid 60 and name HN )) (( segid " " and resid 5 and name HN )) 6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.325 ppm2 9.550 CV 1 ASSI { 246} (( segid " " and resid 60 and name HN )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.328 ppm2 7.337 CV 1 ASSI { 248} (( segid " " and resid 60 and name HN )) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.324 ppm2 5.590 CV 1 ASSI { 249} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.332 ppm2 4.825 CV 1 ASSI { 253} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.328 ppm2 0.668 CV 1 ASSI { 254} (( segid " " and resid 60 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.327 ppm2 0.131 CV 1 ASSI { 263} (( segid " " and resid 158 and name HN )) (( segid " " and resid 40 and name HA )) 6.000 4.500 0.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.645 ppm2 5.138 CV 1 ASSI { 264} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA )) 6.000 4.500 0.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.646 ppm2 4.465 CV 1 ASSI { 265} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 6.000 4.500 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.646 ppm2 3.872 CV 1 ASSI { 266} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.645 ppm2 3.127 CV 1 ASSI { 267} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB1 )) 6.000 4.500 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.645 ppm2 2.810 CV 1 ASSI { 268} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HG2 )) 6.000 4.500 0.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.645 ppm2 1.567 CV 1 ASSI { 270} (( segid " " and resid 158 and name HN )) (( segid " " and resid 41 and name HN )) 6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.639 ppm2 8.934 CV 1 ASSI { 272} (( segid " " and resid 158 and name HN )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.637 ppm2 3.311 CV 1 ASSI { 273} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.642 ppm2 1.965 CV 1 ASSI { 274} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HB1 )) 6.000 4.500 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.642 ppm2 1.763 CV 1 ASSI { 280} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HN )) 6.000 4.500 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.403 ppm2 7.258 CV 1 ASSI { 282} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.405 ppm2 3.836 CV 1 ASSI { 283} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB )) 6.000 4.500 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.403 ppm2 1.937 CV 1 ASSI { 285} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HG )) 6.000 4.500 0.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.405 ppm2 1.210 CV 1 ASSI { 286} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.404 ppm2 1.035 CV 1 OR { 286} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HG1%) ASSI { 287} (( segid " " and resid 136 and name HN )) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.405 ppm2 0.370 CV 1 ASSI { 294} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA )) 6.000 4.500 0.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.989 ppm2 5.519 CV 1 ASSI { 296} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 6.000 4.500 0.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.993 ppm2 4.188 CV 1 ASSI { 297} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 6.000 4.500 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.992 ppm2 2.531 CV 1 ASSI { 298} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB1 )) 6.000 4.500 0.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.993 ppm2 2.334 CV 1 ASSI { 299} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HG12)) 6.000 4.500 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.990 ppm2 1.873 CV 1 ASSI { 301} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HG11)) 6.000 4.500 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.990 ppm2 0.945 CV 1 ASSI { 302} (( segid " " and resid 98 and name HN )) ( segid " " and resid 98 and name HG2%) 6.000 4.500 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.991 ppm2 0.813 CV 1 ASSI { 303} (( segid " " and resid 98 and name HN )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.996 ppm2 0.688 CV 1 ASSI { 305} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB )) 6.000 4.500 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.984 ppm2 2.085 CV 1 ASSI { 307} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HN )) 6.000 4.500 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.259 ppm2 8.341 CV 1 ASSI { 309} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HD21)) 6.000 4.500 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.260 ppm2 7.567 CV 1 ASSI { 311} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 6.000 4.500 0.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.258 ppm2 5.169 CV 1 ASSI { 313} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HA )) 6.000 4.500 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.259 ppm2 4.559 CV 1 ASSI { 314} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA1 )) 6.000 4.500 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.260 ppm2 3.864 CV 1 OR { 314} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA2 )) ASSI { 315} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB1 )) 6.000 4.500 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.259 ppm2 2.991 CV 1 ASSI { 316} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 6.000 4.500 0.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.261 ppm2 2.650 CV 1 ASSI { 317} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HG2 )) 6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.255 ppm2 2.503 CV 1 ASSI { 318} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.260 ppm2 2.156 CV 1 ASSI { 320} (( segid " " and resid 103 and name HN )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.258 ppm2 0.525 CV 1 ASSI { 323} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.253 ppm2 4.251 CV 1 ASSI { 324} (( segid " " and resid 103 and name HN )) (( segid " " and resid 100 and name HB1 )) 6.000 4.500 0.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.247 ppm2 1.782 CV 1 ASSI { 363} (( segid " " and resid 98 and name HN )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.995 ppm2 0.355 CV 1 ASSI { 385} (( segid " " and resid 107 and name HN )) (( segid " " and resid 113 and name HN )) 6.000 4.500 0.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.195 ppm2 9.347 CV 1 ASSI { 386} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HN )) 6.000 4.500 0.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.193 ppm2 8.996 CV 1 ASSI { 387} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HD21)) 6.000 4.500 0.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.193 ppm2 7.793 CV 1 ASSI { 388} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.192 ppm2 5.501 CV 1 ASSI { 393} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 6.000 4.500 0.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.192 ppm2 4.299 CV 1 ASSI { 395} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 6.000 4.500 0.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.192 ppm2 2.689 CV 1 OR { 395} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB1 )) ASSI { 396} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HB )) 6.000 4.500 0.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.193 ppm2 2.010 CV 1 ASSI { 397} (( segid " " and resid 107 and name HN )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.192 ppm2 1.205 CV 1 ASSI { 398} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HG12)) 6.000 4.500 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.193 ppm2 1.053 CV 1 OR { 398} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HG11)) ASSI { 399} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.192 ppm2 0.920 CV 1 ASSI { 402} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.189 ppm2 1.418 CV 1 ASSI { 406} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.426 ppm2 9.241 CV 1 ASSI { 428} (( segid " " and resid 107 and name HN )) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.196 ppm2 1.865 CV 1 ASSI { 431} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 6.000 4.500 0.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.704 ppm2 4.309 CV 1 ASSI { 434} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 6.000 4.500 0.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.704 ppm2 1.603 CV 1 ASSI { 435} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB1 )) 6.000 4.500 0.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.702 ppm2 1.284 CV 1 ASSI { 436} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG2 )) 6.000 4.500 0.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.705 ppm2 1.191 CV 1 ASSI { 438} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HG1%) 6.000 4.500 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.702 ppm2 0.963 CV 1 OR { 438} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HG2%) ASSI { 441} (( segid " " and resid 84 and name HN )) (( segid " " and resid 88 and name HN )) 6.000 4.500 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.703 ppm2 8.383 CV 1 ASSI { 447} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 6.000 4.500 0.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.788 ppm2 4.520 CV 1 ASSI { 451} (( segid " " and resid 101 and name HN )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.791 ppm2 1.150 CV 1 ASSI { 452} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 6.000 4.500 0.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.786 ppm2 8.405 CV 1 ASSI { 453} (( segid " " and resid 101 and name HN )) (( segid " " and resid 104 and name HN )) 6.000 4.500 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.787 ppm2 8.349 CV 1 ASSI { 454} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HN )) 6.000 4.500 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.783 ppm2 7.525 CV 1 ASSI { 456} (( segid " " and resid 101 and name HN )) (( segid " " and resid 3 and name HA )) 6.000 4.500 0.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.783 ppm2 4.956 CV 1 ASSI { 457} (( segid " " and resid 101 and name HN )) (( segid " " and resid 105 and name HA )) 6.000 4.500 0.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.788 ppm2 4.681 CV 1 ASSI { 458} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.787 ppm2 3.316 CV 1 ASSI { 459} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB1 )) 6.000 4.500 0.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.782 ppm2 2.323 CV 1 ASSI { 460} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB1 )) 6.000 4.500 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.787 ppm2 1.805 CV 1 ASSI { 461} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HG )) 6.000 4.500 0.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.784 ppm2 1.619 CV 1 ASSI { 463} (( segid " " and resid 101 and name HN )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.784 ppm2 0.835 CV 1 ASSI { 468} (( segid " " and resid 95 and name HN )) (( segid " " and resid 7 and name HA )) 6.000 4.500 0.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.234 ppm2 4.860 CV 1 ASSI { 470} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB1 )) 6.000 4.500 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.233 ppm2 2.518 CV 1 ASSI { 475} (( segid " " and resid 95 and name HN )) (( segid " " and resid 8 and name HN )) 6.000 4.500 0.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.230 ppm2 8.769 CV 1 ASSI { 476} (( segid " " and resid 95 and name HN )) (( segid " " and resid 8 and name HA1 )) 6.000 4.500 0.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.231 ppm2 5.737 CV 1 ASSI { 479} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.233 ppm2 1.601 CV 1 ASSI { 481} (( segid " " and resid 95 and name HN )) ( segid " " and resid 96 and name HD2%) 6.000 4.500 0.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.233 ppm2 0.917 CV 1 OR { 481} (( segid " " and resid 95 and name HN )) ( segid " " and resid 96 and name HD1%) ASSI { 482} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.229 ppm2 0.782 CV 1 ASSI { 483} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA )) 6.000 4.500 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.227 ppm2 5.061 CV 1 ASSI { 484} (( segid " " and resid 95 and name HN )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.223 ppm2 3.722 CV 1 ASSI { 487} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB1 )) 6.000 4.500 0.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.228 ppm2 1.416 CV 1 ASSI { 489} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 6.000 4.500 0.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.535 ppm2 9.976 CV 1 ASSI { 497} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB2 )) 6.000 4.500 0.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.843 ppm2 2.056 CV 1 ASSI { 499} (( segid " " and resid 97 and name HN )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.843 ppm2 0.844 CV 1 ASSI { 507} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 6.000 4.500 0.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.345 ppm2 4.565 CV 1 ASSI { 508} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 6.000 4.500 0.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.350 ppm2 4.171 CV 1 ASSI { 509} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB2 )) 6.000 4.500 0.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.347 ppm2 3.045 CV 1 ASSI { 510} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HN )) 6.000 4.500 0.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.337 ppm2 8.693 CV 1 ASSI { 511} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HD% ) 6.000 4.500 0.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.339 ppm2 6.692 CV 1 ASSI { 512} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB1 )) 6.000 4.500 0.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.341 ppm2 2.940 CV 1 ASSI { 513} (( segid " " and resid 116 and name HN )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.343 ppm2 1.436 CV 1 ASSI { 514} (( segid " " and resid 116 and name HN )) (( segid " " and resid 117 and name HB1 )) 6.000 4.500 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.339 ppm2 0.858 CV 1 ASSI { 519} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.532 ppm2 5.606 CV 1 ASSI { 521} (( segid " " and resid 5 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.534 ppm2 4.823 CV 1 ASSI { 522} (( segid " " and resid 5 and name HN )) (( segid " " and resid 58 and name HB )) 6.000 4.500 0.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.532 ppm2 1.971 CV 1 ASSI { 523} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.530 ppm2 1.742 CV 1 ASSI { 524} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG12)) 6.000 4.500 0.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.529 ppm2 1.532 CV 1 ASSI { 526} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG11)) 6.000 4.500 0.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.529 ppm2 1.092 CV 1 ASSI { 527} (( segid " " and resid 5 and name HN )) ( segid " " and resid 58 and name HG1%) 6.000 4.500 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.532 ppm2 0.970 CV 1 OR { 527} (( segid " " and resid 5 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 528} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.530 ppm2 0.837 CV 1 ASSI { 529} (( segid " " and resid 5 and name HN )) (( segid " " and resid 58 and name HN )) 6.000 4.500 0.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.524 ppm2 9.152 CV 1 ASSI { 531} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) 6.000 4.500 0.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.528 ppm2 2.735 CV 1 OR { 531} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) ASSI { 535} (( segid " " and resid 97 and name HN )) (( segid " " and resid 6 and name HN )) 6.000 4.500 0.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.845 ppm2 9.969 CV 1 ASSI { 536} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.842 ppm2 5.453 CV 1 ASSI { 538} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB1 )) 6.000 4.500 0.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.842 ppm2 2.341 CV 1 ASSI { 540} (( segid " " and resid 97 and name HN )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.844 ppm2 1.757 CV 1 ASSI { 542} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB1 )) 6.000 4.500 0.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.842 ppm2 0.943 CV 1 OR { 542} (( segid " " and resid 97 and name HN )) ( segid " " and resid 96 and name HD2%) ASSI { 545} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 6.000 4.500 0.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.836 ppm2 2.525 CV 1 ASSI { 549} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) 6.000 4.500 0.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.329 ppm2 3.674 CV 1 ASSI { 555} (( segid " " and resid 112 and name HN )) (( segid " " and resid 116 and name HN )) 6.000 4.500 0.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.699 ppm2 8.362 CV 1 ASSI { 559} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB )) 6.000 4.500 0.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.701 ppm2 4.346 CV 1 ASSI { 562} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 6.000 4.500 0.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.699 ppm2 3.895 CV 1 ASSI { 563} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.700 ppm2 1.436 CV 1 ASSI { 564} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.704 ppm2 1.308 CV 1 ASSI { 565} (( segid " " and resid 112 and name HN )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.703 ppm2 1.170 CV 1 ASSI { 566} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG )) 6.000 4.500 0.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.701 ppm2 1.024 CV 1 ASSI { 567} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.700 ppm2 0.888 CV 1 ASSI { 569} (( segid " " and resid 112 and name HN )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.700 ppm2 0.345 CV 1 ASSI { 574} (( segid " " and resid 137 and name HN )) (( segid " " and resid 141 and name HN )) 6.000 4.500 0.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.225 ppm2 7.995 CV 1 ASSI { 575} (( segid " " and resid 137 and name HN )) (( segid " " and resid 139 and name HN )) 6.000 4.500 0.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.219 ppm2 7.470 CV 1 ASSI { 579} (( segid " " and resid 137 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.224 ppm2 4.800 CV 1 ASSI { 580} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 6.000 4.500 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.223 ppm2 4.506 CV 1 ASSI { 581} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 6.000 4.500 0.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.225 ppm2 4.305 CV 1 ASSI { 582} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HD1 )) 6.000 4.500 0.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.223 ppm2 4.026 CV 1 OR { 582} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HD2 )) ASSI { 585} (( segid " " and resid 137 and name HN )) (( segid " " and resid 140 and name HA1 )) 6.000 4.500 0.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.216 ppm2 3.521 CV 1 ASSI { 586} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) 6.000 4.500 0.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.222 ppm2 3.354 CV 1 ASSI { 587} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.222 ppm2 3.242 CV 1 ASSI { 588} (( segid " " and resid 137 and name HN )) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.226 ppm2 2.654 CV 1 ASSI { 590} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB )) 6.000 4.500 0.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.222 ppm2 1.955 CV 1 ASSI { 591} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HG )) 6.000 4.500 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.220 ppm2 1.211 CV 1 ASSI { 592} (( segid " " and resid 137 and name HN )) ( segid " " and resid 136 and name HG1%) 6.000 4.500 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.224 ppm2 1.025 CV 1 OR { 592} (( segid " " and resid 137 and name HN )) ( segid " " and resid 136 and name HG2%) ASSI { 594} (( segid " " and resid 137 and name HN )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 594 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.222 ppm2 0.081 CV 1 ASSI { 603} (( segid " " and resid 137 and name HN )) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.224 ppm2 2.785 CV 1 ASSI { 615} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 6.000 4.500 0.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.682 ppm2 5.426 CV 1 ASSI { 617} (( segid " " and resid 115 and name HN )) (( segid " " and resid 113 and name HA )) 6.000 4.500 0.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.683 ppm2 4.319 CV 1 ASSI { 618} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) 6.000 4.500 0.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.686 ppm2 3.687 CV 1 ASSI { 619} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.684 ppm2 3.000 CV 1 ASSI { 621} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HG2 )) 6.000 4.500 0.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.686 ppm2 2.455 CV 1 ASSI { 622} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB1 )) 6.000 4.500 0.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.684 ppm2 2.099 CV 1 ASSI { 624} (( segid " " and resid 115 and name HN )) (( segid " " and resid 138 and name HB1 )) 6.000 4.500 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.686 ppm2 1.859 CV 1 ASSI { 627} (( segid " " and resid 115 and name HN )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.684 ppm2 0.858 CV 1 ASSI { 630} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HA )) 6.000 4.500 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.676 ppm2 4.194 CV 1 ASSI { 631} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB2 )) 6.000 4.500 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.679 ppm2 2.839 CV 1 ASSI { 633} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HN )) 6.000 4.500 0.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.346 ppm2 8.701 CV 1 ASSI { 637} (( segid " " and resid 115 and name HN )) ( segid " " and resid 100 and name HD2%) 6.000 4.500 0.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.689 ppm2 0.654 CV 1 ASSI { 639} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 6.000 4.500 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.339 ppm2 4.331 CV 1 ASSI { 640} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB1 )) 6.000 4.500 0.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.338 ppm2 1.651 CV 1 ASSI { 641} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB2 )) 6.000 4.500 0.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.328 ppm2 1.801 CV 1 ASSI { 642} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 6.000 4.500 0.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.299 ppm2 9.193 CV 1 ASSI { 647} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.295 ppm2 7.353 CV 1 ASSI { 648} (( segid " " and resid 36 and name HN )) (( segid " " and resid 58 and name HA )) 6.000 4.500 0.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.297 ppm2 4.947 CV 1 ASSI { 649} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 6.000 4.500 0.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.296 ppm2 4.600 CV 1 ASSI { 650} (( segid " " and resid 36 and name HN )) (( segid " " and resid 131 and name HA )) 6.000 4.500 0.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.297 ppm2 4.491 CV 1 ASSI { 651} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HA )) 6.000 4.500 0.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.298 ppm2 4.245 CV 1 ASSI { 652} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB )) 6.000 4.500 0.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.298 ppm2 4.106 CV 1 ASSI { 655} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB )) 6.000 4.500 0.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.295 ppm2 1.949 CV 1 ASSI { 657} (( segid " " and resid 36 and name HN )) ( segid " " and resid 36 and name HG2%) 6.000 4.500 0.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.298 ppm2 1.318 CV 1 ASSI { 659} (( segid " " and resid 36 and name HN )) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.296 ppm2 1.096 CV 1 ASSI { 662} (( segid " " and resid 36 and name HN )) ( segid " " and resid 33 and name HG2%) 6.000 4.500 0.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.295 ppm2 0.786 CV 1 ASSI { 669} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.130 ppm2 7.589 CV 1 ASSI { 673} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.126 ppm2 2.736 CV 1 ASSI { 682} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HN )) 6.000 4.500 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.805 ppm2 8.389 CV 1 ASSI { 684} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HN )) 6.000 4.500 0.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.805 ppm2 7.241 CV 1 ASSI { 688} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 6.000 4.500 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.804 ppm2 4.624 CV 1 ASSI { 690} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.803 ppm2 3.400 CV 1 ASSI { 691} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HA )) 6.000 4.500 0.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.807 ppm2 2.992 CV 1 ASSI { 692} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 6.000 4.500 0.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.804 ppm2 2.737 CV 1 ASSI { 693} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB1 )) 6.000 4.500 0.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.804 ppm2 2.600 CV 1 ASSI { 694} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HB2 )) 6.000 4.500 0.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.804 ppm2 1.361 CV 1 OR { 694} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HB1 )) ASSI { 696} (( segid " " and resid 153 and name HN )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.799 ppm2 0.890 CV 1 ASSI { 700} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) 6.000 4.500 0.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.287 ppm2 8.545 CV 1 ASSI { 703} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 6.000 4.500 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.274 ppm2 3.667 CV 1 ASSI { 708} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 6.000 4.500 0.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.128 ppm2 7.314 CV 1 ASSI { 710} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 6.000 4.500 0.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.129 ppm2 4.915 CV 1 ASSI { 711} (( segid " " and resid 28 and name HN )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.126 ppm2 4.172 CV 1 ASSI { 713} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 6.000 4.500 0.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.127 ppm2 3.751 CV 1 ASSI { 714} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.128 ppm2 3.643 CV 1 ASSI { 716} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 6.000 4.500 0.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.127 ppm2 2.918 CV 1 ASSI { 717} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 6.000 4.500 0.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.126 ppm2 2.598 CV 1 ASSI { 719} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG11)) 6.000 4.500 0.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.127 ppm2 2.076 CV 1 OR { 719} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG12)) ASSI { 720} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.127 ppm2 1.537 CV 1 ASSI { 722} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HD1%) 6.000 4.500 0.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.128 ppm2 0.781 CV 1 ASSI { 723} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.128 ppm2 0.605 CV 1 ASSI { 730} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 6.000 4.500 0.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.177 ppm2 3.333 CV 1 ASSI { 736} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 6.000 4.500 0.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.174 ppm2 4.910 CV 1 ASSI { 737} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.175 ppm2 3.131 CV 1 ASSI { 738} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB )) 6.000 4.500 0.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.175 ppm2 1.766 CV 1 ASSI { 739} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG11)) 6.000 4.500 0.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.175 ppm2 1.573 CV 1 OR { 739} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG12)) ASSI { 742} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HG2%) 6.000 4.500 0.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.175 ppm2 0.771 CV 1 ASSI { 752} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.688 ppm2 0.631 CV 1 ASSI { 757} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 6.000 4.500 0.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.196 ppm2 8.584 CV 1 ASSI { 765} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HB2 )) 6.000 4.500 0.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.194 ppm2 1.989 CV 1 ASSI { 772} (( segid " " and resid 20 and name HN )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.194 ppm2 0.660 CV 1 ASSI { 777} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 777 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.937 ppm2 7.143 CV 1 ASSI { 779} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 6.000 4.500 0.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.937 ppm2 5.758 CV 1 ASSI { 781} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 6.000 4.500 0.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.935 ppm2 5.159 CV 1 ASSI { 782} (( segid " " and resid 41 and name HN )) (( segid " " and resid 156 and name HA )) 6.000 4.500 0.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.940 ppm2 4.830 CV 1 ASSI { 783} (( segid " " and resid 41 and name HN )) (( segid " " and resid 157 and name HA )) 6.000 4.500 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.935 ppm2 4.472 CV 1 ASSI { 786} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB1 )) 6.000 4.500 0.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.933 ppm2 1.683 CV 1 OR { 786} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 788} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG1 )) 6.000 4.500 0.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.935 ppm2 1.146 CV 1 ASSI { 790} (( segid " " and resid 41 and name HN )) (( segid " " and resid 158 and name HA )) 6.000 4.500 0.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.924 ppm2 3.880 CV 1 ASSI { 791} (( segid " " and resid 41 and name HN )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.927 ppm2 1.975 CV 1 ASSI { 795} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.598 ppm2 7.745 CV 1 ASSI { 797} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.595 ppm2 4.186 CV 1 ASSI { 798} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 6.000 4.500 0.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.597 ppm2 3.968 CV 1 ASSI { 799} (( segid " " and resid 21 and name HN )) (( segid " " and resid 18 and name HA )) 6.000 4.500 0.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.598 ppm2 3.333 CV 1 ASSI { 800} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HB2 )) 6.000 4.500 0.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.599 ppm2 2.869 CV 1 ASSI { 804} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HB% ) 6.000 4.500 0.000 peak 804 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.597 ppm2 1.469 CV 1 ASSI { 808} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 6.000 4.500 0.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.312 ppm2 1.593 CV 1 ASSI { 809} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB1 )) 6.000 4.500 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.308 ppm2 0.859 CV 1 ASSI { 810} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.302 ppm2 1.970 CV 1 ASSI { 813} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 6.000 4.500 0.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.196 ppm2 8.438 CV 1 ASSI { 814} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.195 ppm2 7.387 CV 1 ASSI { 815} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.196 ppm2 4.190 CV 1 ASSI { 817} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HA )) 6.000 4.500 0.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.198 ppm2 3.329 CV 1 ASSI { 818} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 6.000 4.500 0.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.195 ppm2 2.886 CV 1 ASSI { 819} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB1 )) 6.000 4.500 0.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.195 ppm2 2.679 CV 1 ASSI { 821} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.198 ppm2 2.084 CV 1 ASSI { 823} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HB% ) 6.000 4.500 0.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.195 ppm2 1.530 CV 1 ASSI { 824} (( segid " " and resid 20 and name HN )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.198 ppm2 0.311 CV 1 ASSI { 831} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.597 ppm2 2.102 CV 1 ASSI { 832} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HG )) 6.000 4.500 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.593 ppm2 1.879 CV 1 ASSI { 834} (( segid " " and resid 21 and name HN )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.602 ppm2 0.294 CV 1 ASSI { 836} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 6.000 4.500 0.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.543 ppm2 8.386 CV 1 ASSI { 837} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 6.000 4.500 0.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 8.233 CV 1 ASSI { 840} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.545 ppm2 5.503 CV 1 ASSI { 841} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 6.000 4.500 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 4.974 CV 1 ASSI { 844} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 6.000 4.500 0.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.548 ppm2 4.221 CV 1 ASSI { 845} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 6.000 4.500 0.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.548 ppm2 4.062 CV 1 OR { 845} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) ASSI { 846} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 3.808 CV 1 ASSI { 848} (( segid " " and resid 64 and name HN )) (( segid " " and resid 31 and name HB1 )) 6.000 4.500 0.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.545 ppm2 3.598 CV 1 ASSI { 850} (( segid " " and resid 64 and name HN )) (( segid " " and resid 68 and name HB2 )) 6.000 4.500 0.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.547 ppm2 2.160 CV 1 ASSI { 851} (( segid " " and resid 64 and name HN )) (( segid " " and resid 30 and name HB1 )) 6.000 4.500 0.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.550 ppm2 2.016 CV 1 ASSI { 852} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 6.000 4.500 0.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 1.740 CV 1 ASSI { 853} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB1 )) 6.000 4.500 0.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 1.484 CV 1 ASSI { 854} (( segid " " and resid 64 and name HN )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 1.274 CV 1 ASSI { 855} (( segid " " and resid 64 and name HN )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.547 ppm2 1.087 CV 1 ASSI { 856} (( segid " " and resid 64 and name HN )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.545 ppm2 0.944 CV 1 OR { 856} (( segid " " and resid 64 and name HN )) ( segid " " and resid 69 and name HD2%) ASSI { 857} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.545 ppm2 0.737 CV 1 OR { 857} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HD2%) OR { 857} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HD1%) ASSI { 861} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HA )) 6.000 4.500 0.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.319 ppm2 3.832 CV 1 ASSI { 864} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 6.000 4.500 0.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.308 ppm2 7.544 CV 1 ASSI { 871} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 6.000 4.500 0.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.309 ppm2 5.030 CV 1 ASSI { 872} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.309 ppm2 3.281 CV 1 ASSI { 874} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.311 ppm2 2.967 CV 1 ASSI { 875} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HG1 )) 6.000 4.500 0.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.311 ppm2 2.145 CV 1 ASSI { 878} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 6.000 4.500 0.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.301 ppm2 4.172 CV 1 ASSI { 881} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HN )) 6.000 4.500 0.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 7.979 CV 1 ASSI { 882} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.268 ppm2 6.732 CV 1 ASSI { 883} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.270 ppm2 4.810 CV 1 ASSI { 884} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HA2 )) 6.000 4.500 0.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 4.422 CV 1 ASSI { 885} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 6.000 4.500 0.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 4.284 CV 1 ASSI { 886} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 4.062 CV 1 ASSI { 887} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 2.810 CV 1 ASSI { 890} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB2 )) 6.000 4.500 0.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 1.867 CV 1 ASSI { 891} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB1 )) 6.000 4.500 0.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.268 ppm2 1.761 CV 1 ASSI { 893} (( segid " " and resid 142 and name HN )) ( segid " " and resid 136 and name HG1%) 6.000 4.500 0.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 1.023 CV 1 OR { 893} (( segid " " and resid 142 and name HN )) ( segid " " and resid 136 and name HG2%) ASSI { 894} (( segid " " and resid 142 and name HN )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.269 ppm2 0.474 CV 1 ASSI { 897} (( segid " " and resid 142 and name HN )) (( segid " " and resid 146 and name HN )) 6.000 4.500 0.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.264 ppm2 7.869 CV 1 ASSI { 900} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.265 ppm2 2.659 CV 1 ASSI { 901} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HG2 )) 6.000 4.500 0.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.266 ppm2 2.491 CV 1 OR { 901} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HG1 )) ASSI { 904} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HN )) 6.000 4.500 0.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.553 ppm2 9.210 CV 1 ASSI { 905} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 6.000 4.500 0.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.263 ppm2 4.242 CV 1 ASSI { 908} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 6.000 4.500 0.000 peak 908 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.260 ppm2 1.273 CV 1 OR { 908} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 910} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.259 ppm2 0.881 CV 1 ASSI { 914} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.404 ppm2 7.102 CV 1 ASSI { 915} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.396 ppm2 6.987 CV 1 ASSI { 916} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.389 ppm2 3.311 CV 1 ASSI { 917} (( segid " " and resid 37 and name HN )) (( segid " " and resid 57 and name HN )) 6.000 4.500 0.000 peak 917 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 9.471 CV 1 ASSI { 918} (( segid " " and resid 37 and name HN )) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.207 ppm2 8.600 CV 1 ASSI { 920} (( segid " " and resid 37 and name HN )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 6.978 CV 1 ASSI { 922} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 6.000 4.500 0.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 5.057 CV 1 ASSI { 924} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 6.000 4.500 0.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 4.799 CV 1 ASSI { 926} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HA )) 6.000 4.500 0.000 peak 926 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 4.252 CV 1 ASSI { 927} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 6.000 4.500 0.000 peak 927 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.206 ppm2 4.048 CV 1 OR { 927} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) ASSI { 929} (( segid " " and resid 37 and name HN )) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 929 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 2.596 CV 1 ASSI { 933} (( segid " " and resid 37 and name HN )) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.206 ppm2 1.101 CV 1 ASSI { 934} (( segid " " and resid 37 and name HN )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 0.964 CV 1 OR { 934} (( segid " " and resid 37 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 946} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.599 ppm2 1.227 CV 1 ASSI { 947} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 6.000 4.500 0.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.590 ppm2 1.690 CV 1 OR { 947} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) ASSI { 950} (( segid " " and resid 57 and name HN )) (( segid " " and resid 39 and name HA )) 6.000 4.500 0.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.490 ppm2 5.395 CV 1 ASSI { 951} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 6.000 4.500 0.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.490 ppm2 4.950 CV 1 ASSI { 952} (( segid " " and resid 57 and name HN )) (( segid " " and resid 36 and name HA )) 6.000 4.500 0.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.491 ppm2 4.811 CV 1 ASSI { 953} (( segid " " and resid 57 and name HN )) (( segid " " and resid 127 and name HA )) 6.000 4.500 0.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.491 ppm2 4.447 CV 1 ASSI { 958} (( segid " " and resid 57 and name HN )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.485 ppm2 6.974 CV 1 ASSI { 961} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.483 ppm2 5.673 CV 1 ASSI { 963} (( segid " " and resid 57 and name HN )) (( segid " " and resid 37 and name HB1 )) 6.000 4.500 0.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.482 ppm2 4.066 CV 1 OR { 963} (( segid " " and resid 57 and name HN )) (( segid " " and resid 37 and name HB2 )) ASSI { 964} (( segid " " and resid 57 and name HN )) (( segid " " and resid 128 and name HA )) 6.000 4.500 0.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.484 ppm2 3.831 CV 1 ASSI { 965} (( segid " " and resid 57 and name HN )) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.484 ppm2 2.626 CV 1 ASSI { 967} (( segid " " and resid 57 and name HN )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.478 ppm2 1.602 CV 1 ASSI { 968} (( segid " " and resid 57 and name HN )) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.485 ppm2 1.456 CV 1 ASSI { 969} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.486 ppm2 1.340 CV 1 ASSI { 970} (( segid " " and resid 57 and name HN )) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.483 ppm2 1.098 CV 1 ASSI { 971} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.486 ppm2 0.988 CV 1 OR { 971} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 986} (( segid " " and resid 40 and name HN )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 986 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.409 ppm2 -0.528 CV 1 ASSI { 987} (( segid " " and resid 40 and name HN )) (( segid " " and resid 55 and name HN )) 6.000 4.500 0.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.394 ppm2 9.155 CV 1 ASSI { 989} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 6.000 4.500 0.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.390 ppm2 5.373 CV 1 ASSI { 990} (( segid " " and resid 40 and name HN )) (( segid " " and resid 158 and name HB2 )) 6.000 4.500 0.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.393 ppm2 3.110 CV 1 ASSI { 996} (( segid " " and resid 40 and name HN )) (( segid " " and resid 56 and name HA )) 6.000 4.500 0.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.378 ppm2 4.925 CV 1 ASSI { 1005} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HN )) 6.000 4.500 0.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 8.699 CV 1 ASSI { 1008} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 6.000 4.500 0.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 5.362 CV 1 ASSI { 1009} (( segid " " and resid 55 and name HN )) (( segid " " and resid 40 and name HA )) 6.000 4.500 0.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 5.169 CV 1 ASSI { 1011} (( segid " " and resid 55 and name HN )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.156 ppm2 3.305 CV 1 ASSI { 1012} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) 6.000 4.500 0.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.154 ppm2 3.146 CV 1 ASSI { 1013} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 6.000 4.500 0.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 2.403 CV 1 ASSI { 1014} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HG )) 6.000 4.500 0.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.151 ppm2 1.128 CV 1 ASSI { 1015} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) 6.000 4.500 0.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 0.943 CV 1 ASSI { 1016} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 0.630 CV 1 ASSI { 1017} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 0.176 CV 1 ASSI { 1020} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 6.000 4.500 0.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.146 ppm2 6.130 CV 1 ASSI { 1021} (( segid " " and resid 55 and name HN )) (( segid " " and resid 41 and name HA )) 6.000 4.500 0.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.144 ppm2 5.771 CV 1 ASSI { 1023} (( segid " " and resid 55 and name HN )) (( segid " " and resid 41 and name HB2 )) 6.000 4.500 0.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.143 ppm2 1.666 CV 1 OR { 1023} (( segid " " and resid 55 and name HN )) (( segid " " and resid 41 and name HB1 )) ASSI { 1024} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.150 ppm2 -0.519 CV 1 ASSI { 1033} (( segid " " and resid 65 and name HN )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.375 ppm2 6.868 CV 1 ASSI { 1034} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 6.000 4.500 0.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 4.224 CV 1 ASSI { 1036} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HD2 )) 6.000 4.500 0.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.375 ppm2 3.627 CV 1 ASSI { 1037} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HD1 )) 6.000 4.500 0.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 3.398 CV 1 ASSI { 1038} (( segid " " and resid 65 and name HN )) (( segid " " and resid 68 and name HG1 )) 6.000 4.500 0.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 2.393 CV 1 OR { 1038} (( segid " " and resid 65 and name HN )) (( segid " " and resid 68 and name HG2 )) ASSI { 1039} (( segid " " and resid 65 and name HN )) (( segid " " and resid 68 and name HB1 )) 6.000 4.500 0.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.375 ppm2 2.264 CV 1 ASSI { 1042} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB2 )) 6.000 4.500 0.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 1.749 CV 1 ASSI { 1043} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 1.443 CV 1 ASSI { 1055} (( segid " " and resid 146 and name HN )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.882 ppm2 7.430 CV 1 ASSI { 1056} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 6.740 CV 1 ASSI { 1057} (( segid " " and resid 146 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.884 ppm2 4.818 CV 1 ASSI { 1058} (( segid " " and resid 146 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.876 ppm2 4.095 CV 1 ASSI { 1059} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 6.000 4.500 0.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.882 ppm2 3.647 CV 1 ASSI { 1060} (( segid " " and resid 146 and name HN )) (( segid " " and resid 148 and name HB1 )) 6.000 4.500 0.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.878 ppm2 3.204 CV 1 ASSI { 1061} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG1 )) 6.000 4.500 0.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.882 ppm2 2.477 CV 1 ASSI { 1063} (( segid " " and resid 146 and name HN )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 2.077 CV 1 ASSI { 1064} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.881 ppm2 1.799 CV 1 ASSI { 1065} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HG12)) 6.000 4.500 0.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 1.593 CV 1 ASSI { 1067} (( segid " " and resid 146 and name HN )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 1.112 CV 1 ASSI { 1068} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.879 ppm2 0.967 CV 1 ASSI { 1069} (( segid " " and resid 146 and name HN )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.879 ppm2 0.748 CV 1 ASSI { 1070} (( segid " " and resid 146 and name HN )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 0.481 CV 1 ASSI { 1076} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HD2 )) 6.000 4.500 0.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.251 ppm2 3.435 CV 1 ASSI { 1082} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 6.000 4.500 0.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.246 ppm2 4.547 CV 1 ASSI { 1084} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HA )) 6.000 4.500 0.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.243 ppm2 4.123 CV 1 ASSI { 1085} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 3.840 CV 1 ASSI { 1087} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB2 )) 6.000 4.500 0.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 2.308 CV 1 OR { 1087} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HG2 )) ASSI { 1089} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 1.737 CV 1 ASSI { 1091} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HB2 )) 6.000 4.500 0.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 1.484 CV 1 ASSI { 1092} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.246 ppm2 1.308 CV 1 ASSI { 1093} (( segid " " and resid 135 and name HN )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 0.990 CV 1 ASSI { 1094} (( segid " " and resid 135 and name HN )) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.244 ppm2 0.385 CV 1 ASSI { 1095} (( segid " " and resid 135 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 0.258 CV 1 ASSI { 1096} (( segid " " and resid 135 and name HN )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 0.087 CV 1 ASSI { 1098} (( segid " " and resid 56 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.206 ppm2 1.334 CV 1 ASSI { 1105} (( segid " " and resid 65 and name HN )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.381 ppm2 8.142 CV 1 ASSI { 1109} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 6.000 4.500 0.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.256 ppm2 9.205 CV 1 ASSI { 1110} (( segid " " and resid 63 and name HN )) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.252 ppm2 8.975 CV 1 ASSI { 1111} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.252 ppm2 5.504 CV 1 ASSI { 1112} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.257 ppm2 3.824 CV 1 ASSI { 1114} (( segid " " and resid 63 and name HN )) (( segid " " and resid 30 and name HB2 )) 6.000 4.500 0.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.253 ppm2 2.398 CV 1 ASSI { 1116} (( segid " " and resid 63 and name HN )) (( segid " " and resid 30 and name HB1 )) 6.000 4.500 0.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.254 ppm2 1.988 CV 1 ASSI { 1117} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB2 )) 6.000 4.500 0.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.255 ppm2 1.766 CV 1 ASSI { 1119} (( segid " " and resid 63 and name HN )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.255 ppm2 1.294 CV 1 ASSI { 1123} (( segid " " and resid 63 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.249 ppm2 5.904 CV 1 ASSI { 1124} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 6.000 4.500 0.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.250 ppm2 4.974 CV 1 ASSI { 1128} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HA )) 6.000 4.500 0.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.250 ppm2 4.221 CV 1 ASSI { 1129} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 6.000 4.500 0.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.250 ppm2 4.051 CV 1 OR { 1129} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 1130} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB1 )) 6.000 4.500 0.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.248 ppm2 1.490 CV 1 ASSI { 1131} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.248 ppm2 1.094 CV 1 ASSI { 1133} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.249 ppm2 0.730 CV 1 OR { 1133} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HD2%) OR { 1133} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HD1%) ASSI { 1137} (( segid " " and resid 146 and name HN )) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.875 ppm2 7.553 CV 1 ASSI { 1138} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 4.247 CV 1 ASSI { 1143} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HN )) 6.000 4.500 0.000 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.452 ppm2 9.069 CV 1 ASSI { 1146} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 6.000 4.500 0.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.451 ppm2 4.530 CV 1 ASSI { 1147} (( segid " " and resid 155 and name HN )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.452 ppm2 2.976 CV 1 ASSI { 1150} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB1 )) 6.000 4.500 0.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.456 ppm2 1.502 CV 1 ASSI { 1151} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB1 )) 6.000 4.500 0.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.454 ppm2 1.376 CV 1 OR { 1151} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB2 )) ASSI { 1152} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HG1 )) 6.000 4.500 0.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.452 ppm2 1.040 CV 1 ASSI { 1153} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.449 ppm2 0.910 CV 1 ASSI { 1157} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.244 ppm2 8.285 CV 1 ASSI { 1159} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HG1 )) 6.000 4.500 0.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.243 ppm2 2.136 CV 1 ASSI { 1162} (( segid " " and resid 56 and name HN )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.206 ppm2 7.132 CV 1 ASSI { 1163} (( segid " " and resid 56 and name HN )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.205 ppm2 6.963 CV 1 ASSI { 1165} (( segid " " and resid 56 and name HN )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.207 ppm2 3.766 CV 1 ASSI { 1166} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 6.000 4.500 0.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.206 ppm2 3.153 CV 1 ASSI { 1167} (( segid " " and resid 56 and name HN )) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.203 ppm2 2.637 CV 1 ASSI { 1168} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 6.000 4.500 0.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.205 ppm2 2.395 CV 1 ASSI { 1169} (( segid " " and resid 56 and name HN )) (( segid " " and resid 127 and name HB1 )) 6.000 4.500 0.000 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 1.956 CV 1 ASSI { 1170} (( segid " " and resid 56 and name HN )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.204 ppm2 0.661 CV 1 ASSI { 1173} (( segid " " and resid 56 and name HN )) (( segid " " and resid 7 and name HN )) 6.000 4.500 0.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.200 ppm2 8.807 CV 1 ASSI { 1175} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 6.000 4.500 0.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.202 ppm2 6.129 CV 1 ASSI { 1177} (( segid " " and resid 56 and name HN )) (( segid " " and resid 8 and name HA1 )) 6.000 4.500 0.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.199 ppm2 5.713 CV 1 ASSI { 1178} (( segid " " and resid 56 and name HN )) (( segid " " and resid 6 and name HA )) 6.000 4.500 0.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.194 ppm2 5.069 CV 1 ASSI { 1179} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 6.000 4.500 0.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.198 ppm2 4.932 CV 1 ASSI { 1188} (( segid " " and resid 7 and name HN )) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.829 ppm2 5.656 CV 1 ASSI { 1189} (( segid " " and resid 7 and name HN )) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.836 ppm2 5.476 CV 1 ASSI { 1190} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 6.000 4.500 0.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.828 ppm2 5.057 CV 1 ASSI { 1192} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.826 ppm2 1.763 CV 1 ASSI { 1194} (( segid " " and resid 7 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.831 ppm2 1.364 CV 1 ASSI { 1196} (( segid " " and resid 7 and name HN )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.835 ppm2 0.951 CV 1 OR { 1196} (( segid " " and resid 7 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 1198} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.828 ppm2 0.672 CV 1 ASSI { 1203} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HN )) 6.000 4.500 0.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.390 ppm2 7.433 CV 1 ASSI { 1204} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 6.000 4.500 0.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.391 ppm2 4.578 CV 1 ASSI { 1206} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 6.000 4.500 0.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.389 ppm2 2.747 CV 1 ASSI { 1207} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB1 )) 6.000 4.500 0.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.391 ppm2 2.602 CV 1 ASSI { 1208} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB1 )) 6.000 4.500 0.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.390 ppm2 1.370 CV 1 OR { 1208} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB2 )) OR { 1208} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HD2 )) ASSI { 1209} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HG1 )) 6.000 4.500 0.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.389 ppm2 1.031 CV 1 ASSI { 1212} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 6.000 4.500 0.000 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.169 ppm2 1.613 CV 1 OR { 1212} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 1215} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 6.000 4.500 0.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.196 ppm2 9.455 CV 1 ASSI { 1217} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.013 ppm2 7.893 CV 1 ASSI { 1218} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.016 ppm2 7.744 CV 1 ASSI { 1219} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.014 ppm2 7.578 CV 1 ASSI { 1221} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.014 ppm2 2.127 CV 1 ASSI { 1222} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HG )) 6.000 4.500 0.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.012 ppm2 1.935 CV 1 ASSI { 1223} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HB% ) 6.000 4.500 0.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.011 ppm2 1.517 CV 1 ASSI { 1224} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 6.000 4.500 0.000 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.012 ppm2 1.247 CV 1 ASSI { 1225} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HD1%) 6.000 4.500 0.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.011 ppm2 0.833 CV 1 OR { 1225} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HD2%) ASSI { 1226} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.004 ppm2 4.183 CV 1 ASSI { 1233} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.881 ppm2 9.288 CV 1 ASSI { 1236} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 6.000 4.500 0.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.879 ppm2 7.660 CV 1 ASSI { 1239} (( segid " " and resid 74 and name HN )) (( segid " " and resid 70 and name HA )) 6.000 4.500 0.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.884 ppm2 4.555 CV 1 ASSI { 1240} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 6.000 4.500 0.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.882 ppm2 4.195 CV 1 ASSI { 1241} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB )) 6.000 4.500 0.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.884 ppm2 3.922 CV 1 ASSI { 1243} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG2 )) 6.000 4.500 0.000 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.879 ppm2 2.923 CV 1 ASSI { 1245} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG1 )) 6.000 4.500 0.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.879 ppm2 2.404 CV 1 ASSI { 1246} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 6.000 4.500 0.000 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.878 ppm2 2.214 CV 1 OR { 1246} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) ASSI { 1250} (( segid " " and resid 74 and name HN )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.878 ppm2 1.042 CV 1 ASSI { 1251} (( segid " " and resid 74 and name HN )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.879 ppm2 0.710 CV 1 ASSI { 1257} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HN )) 6.000 4.500 0.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.816 ppm2 9.953 CV 1 ASSI { 1260} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 6.000 4.500 0.000 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 9.431 CV 1 ASSI { 1264} (( segid " " and resid 39 and name HN )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.739 ppm2 7.113 CV 1 ASSI { 1265} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 6.975 CV 1 ASSI { 1266} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 6.000 4.500 0.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 5.384 CV 1 ASSI { 1269} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 6.000 4.500 0.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.737 ppm2 4.283 CV 1 ASSI { 1270} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB1 )) 6.000 4.500 0.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 3.750 CV 1 ASSI { 1271} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) 6.000 4.500 0.000 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.737 ppm2 3.602 CV 1 ASSI { 1272} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.735 ppm2 3.320 CV 1 ASSI { 1273} (( segid " " and resid 39 and name HN )) (( segid " " and resid 158 and name HB2 )) 6.000 4.500 0.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 3.126 CV 1 ASSI { 1276} (( segid " " and resid 39 and name HN )) (( segid " " and resid 157 and name HG2 )) 6.000 4.500 0.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.744 ppm2 1.562 CV 1 ASSI { 1281} (( segid " " and resid 39 and name HN )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.714 ppm2 1.972 CV 1 ASSI { 1295} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HN )) 6.000 4.500 0.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 7.634 CV 1 ASSI { 1296} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HA )) 6.000 4.500 0.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.082 ppm2 4.383 CV 1 ASSI { 1297} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HD1 )) 6.000 4.500 0.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.074 ppm2 3.173 CV 1 ASSI { 1304} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.643 ppm2 3.420 CV 1 ASSI { 1311} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HN )) 6.000 4.500 0.000 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.879 ppm2 8.079 CV 1 ASSI { 1316} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.194 ppm2 8.531 CV 1 ASSI { 1317} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 6.000 4.500 0.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.195 ppm2 4.083 CV 1 ASSI { 1319} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) 6.000 4.500 0.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.199 ppm2 2.321 CV 1 OR { 1319} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG1 )) ASSI { 1324} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.075 ppm2 8.294 CV 1 ASSI { 1325} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 6.000 4.500 0.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.073 ppm2 4.133 CV 1 ASSI { 1327} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 6.000 4.500 0.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 3.760 CV 1 ASSI { 1328} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HD2 )) 6.000 4.500 0.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.079 ppm2 3.310 CV 1 ASSI { 1329} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.074 ppm2 2.274 CV 1 ASSI { 1330} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG11)) 6.000 4.500 0.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 2.093 CV 1 OR { 1330} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG12)) ASSI { 1334} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 0.846 CV 1 ASSI { 1335} (( segid " " and resid 76 and name HN )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 0.742 CV 1 ASSI { 1337} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG2 )) 6.000 4.500 0.000 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.067 ppm2 1.666 CV 1 ASSI { 1340} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.647 ppm2 9.273 CV 1 ASSI { 1341} (( segid " " and resid 75 and name HN )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.643 ppm2 8.308 CV 1 ASSI { 1344} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 6.000 4.500 0.000 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.641 ppm2 4.387 CV 1 ASSI { 1345} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 6.000 4.500 0.000 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.644 ppm2 4.137 CV 1 ASSI { 1346} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HD2 )) 6.000 4.500 0.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.645 ppm2 3.317 CV 1 ASSI { 1347} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HD1 )) 6.000 4.500 0.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.645 ppm2 3.151 CV 1 ASSI { 1348} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG1 )) 6.000 4.500 0.000 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.643 ppm2 2.415 CV 1 ASSI { 1349} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.643 ppm2 2.273 CV 1 ASSI { 1351} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.644 ppm2 1.876 CV 1 ASSI { 1352} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG2 )) 6.000 4.500 0.000 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.644 ppm2 1.664 CV 1 ASSI { 1353} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG1 )) 6.000 4.500 0.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.641 ppm2 1.549 CV 1 ASSI { 1356} (( segid " " and resid 75 and name HN )) ( segid " " and resid 78 and name HD1%) 6.000 4.500 0.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.646 ppm2 0.781 CV 1 OR { 1356} (( segid " " and resid 75 and name HN )) ( segid " " and resid 78 and name HD2%) ASSI { 1359} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HN )) 6.000 4.500 0.000 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 8.780 CV 1 ASSI { 1362} (( segid " " and resid 62 and name HN )) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 4.226 CV 1 ASSI { 1373} (( segid " " and resid 141 and name HN )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.993 ppm2 3.248 CV 1 ASSI { 1374} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.994 ppm2 3.043 CV 1 ASSI { 1378} (( segid " " and resid 141 and name HN )) ( segid " " and resid 136 and name HG1%) 6.000 4.500 0.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.993 ppm2 1.022 CV 1 ASSI { 1382} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 6.000 4.500 0.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.991 ppm2 8.363 CV 1 ASSI { 1384} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HN )) 6.000 4.500 0.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.990 ppm2 7.487 CV 1 ASSI { 1387} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 6.000 4.500 0.000 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.990 ppm2 4.289 CV 1 ASSI { 1388} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA1 )) 6.000 4.500 0.000 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.990 ppm2 3.514 CV 1 ASSI { 1389} (( segid " " and resid 141 and name HN )) (( segid " " and resid 137 and name HB2 )) 6.000 4.500 0.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.989 ppm2 3.364 CV 1 ASSI { 1391} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.988 ppm2 2.605 CV 1 ASSI { 1392} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.990 ppm2 2.285 CV 1 ASSI { 1393} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.991 ppm2 2.049 CV 1 ASSI { 1394} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 6.000 4.500 0.000 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.991 ppm2 1.859 CV 1 ASSI { 1395} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB1 )) 6.000 4.500 0.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.991 ppm2 1.765 CV 1 ASSI { 1404} (( segid " " and resid 62 and name HN )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.216 ppm2 0.514 CV 1 ASSI { 1406} (( segid " " and resid 62 and name HN )) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.204 ppm2 8.969 CV 1 ASSI { 1408} (( segid " " and resid 62 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 5.910 CV 1 ASSI { 1409} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 5.498 CV 1 ASSI { 1413} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB1 )) 6.000 4.500 0.000 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 4.067 CV 1 OR { 1413} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 1415} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 3.820 CV 1 ASSI { 1416} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HG2 )) 6.000 4.500 0.000 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.207 ppm2 2.193 CV 1 ASSI { 1417} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HG1 )) 6.000 4.500 0.000 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 1.917 CV 1 ASSI { 1418} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) 6.000 4.500 0.000 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 1.745 CV 1 ASSI { 1420} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 1.254 CV 1 ASSI { 1421} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.210 ppm2 1.090 CV 1 ASSI { 1423} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 0.769 CV 1 ASSI { 1424} (( segid " " and resid 62 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.210 ppm2 0.126 CV 1 ASSI { 1428} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HN )) 6.000 4.500 0.000 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.579 ppm2 9.071 CV 1 ASSI { 1429} (( segid " " and resid 157 and name HN )) (( segid " " and resid 41 and name HN )) 6.000 4.500 0.000 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.586 ppm2 8.931 CV 1 ASSI { 1431} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HD21)) 6.000 4.500 0.000 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.583 ppm2 7.706 CV 1 ASSI { 1434} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA )) 6.000 4.500 0.000 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.583 ppm2 4.846 CV 1 ASSI { 1435} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA )) 6.000 4.500 0.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.585 ppm2 4.461 CV 1 ASSI { 1436} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB2 )) 6.000 4.500 0.000 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.586 ppm2 2.866 CV 1 ASSI { 1437} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB1 )) 6.000 4.500 0.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.585 ppm2 2.766 CV 1 ASSI { 1438} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.584 ppm2 1.968 CV 1 ASSI { 1439} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HB1 )) 6.000 4.500 0.000 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.585 ppm2 1.765 CV 1 ASSI { 1440} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HG2 )) 6.000 4.500 0.000 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.584 ppm2 1.568 CV 1 ASSI { 1441} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HG1 )) 6.000 4.500 0.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.586 ppm2 1.183 CV 1 ASSI { 1448} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.170 ppm2 8.722 CV 1 ASSI { 1449} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HN )) 6.000 4.500 0.000 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.167 ppm2 7.810 CV 1 ASSI { 1452} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.168 ppm2 6.870 CV 1 ASSI { 1454} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HA )) 6.000 4.500 0.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.168 ppm2 3.357 CV 1 ASSI { 1455} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.167 ppm2 2.201 CV 1 ASSI { 1456} (( segid " " and resid 69 and name HN )) (( segid " " and resid 64 and name HB2 )) 6.000 4.500 0.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.168 ppm2 1.728 CV 1 ASSI { 1459} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.167 ppm2 1.298 CV 1 ASSI { 1460} (( segid " " and resid 69 and name HN )) ( segid " " and resid 64 and name HD1%) 6.000 4.500 0.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.165 ppm2 0.732 CV 1 OR { 1460} (( segid " " and resid 69 and name HN )) ( segid " " and resid 64 and name HD2%) ASSI { 1461} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.165 ppm2 0.534 CV 1 ASSI { 1464} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.900 ppm2 7.753 CV 1 ASSI { 1465} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.905 ppm2 7.581 CV 1 ASSI { 1467} (( segid " " and resid 24 and name HN )) (( segid " " and resid 27 and name HN )) 6.000 4.500 0.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.905 ppm2 7.324 CV 1 ASSI { 1469} (( segid " " and resid 24 and name HN )) (( segid " " and resid 72 and name HB1 )) 6.000 4.500 0.000 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.904 ppm2 2.968 CV 1 ASSI { 1471} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HD1 )) 6.000 4.500 0.000 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.903 ppm2 1.679 CV 1 ASSI { 1475} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.899 ppm2 4.179 CV 1 ASSI { 1478} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB1 )) 6.000 4.500 0.000 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.898 ppm2 1.947 CV 1 OR { 1478} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB2 )) ASSI { 1479} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HB% ) 6.000 4.500 0.000 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.898 ppm2 1.518 CV 1 ASSI { 1481} (( segid " " and resid 23 and name HN )) (( segid " " and resid 19 and name HA )) 6.000 4.500 0.000 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.757 ppm2 4.541 CV 1 ASSI { 1486} (( segid " " and resid 156 and name HN )) (( segid " " and resid 41 and name HN )) 6.000 4.500 0.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.080 ppm2 8.939 CV 1 ASSI { 1489} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HD21)) 6.000 4.500 0.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.079 ppm2 7.698 CV 1 ASSI { 1492} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HD22)) 6.000 4.500 0.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.079 ppm2 7.068 CV 1 ASSI { 1493} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 6.000 4.500 0.000 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.080 ppm2 4.842 CV 1 ASSI { 1495} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HA )) 6.000 4.500 0.000 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.079 ppm2 4.520 CV 1 ASSI { 1499} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) 6.000 4.500 0.000 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.080 ppm2 2.863 CV 1 ASSI { 1500} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB1 )) 6.000 4.500 0.000 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.080 ppm2 2.762 CV 1 ASSI { 1503} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB1 )) 6.000 4.500 0.000 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.077 ppm2 1.504 CV 1 ASSI { 1504} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HD1 )) 6.000 4.500 0.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.080 ppm2 1.386 CV 1 ASSI { 1506} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.078 ppm2 0.910 CV 1 ASSI { 1527} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 6.000 4.500 0.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.749 ppm2 1.946 CV 1 OR { 1527} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB1 )) ASSI { 1528} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HD2 )) 6.000 4.500 0.000 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.749 ppm2 1.687 CV 1 OR { 1528} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HD1 )) ASSI { 1531} (( segid " " and resid 23 and name HN )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.747 ppm2 1.086 CV 1 ASSI { 1535} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HN )) 6.000 4.500 0.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 9.711 CV 1 ASSI { 1536} (( segid " " and resid 111 and name HN )) (( segid " " and resid 108 and name HN )) 6.000 4.500 0.000 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.606 ppm2 8.993 CV 1 ASSI { 1537} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HN )) 6.000 4.500 0.000 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.602 ppm2 8.866 CV 1 ASSI { 1538} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HN )) 6.000 4.500 0.000 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 7.936 CV 1 ASSI { 1544} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HA )) 6.000 4.500 0.000 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.608 ppm2 4.031 CV 1 ASSI { 1545} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 6.000 4.500 0.000 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 3.891 CV 1 ASSI { 1546} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HB1 )) 6.000 4.500 0.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 2.035 CV 1 ASSI { 1547} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HG1 )) 6.000 4.500 0.000 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.601 ppm2 1.764 CV 1 ASSI { 1548} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB1 )) 6.000 4.500 0.000 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.601 ppm2 1.641 CV 1 ASSI { 1549} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.603 ppm2 1.320 CV 1 ASSI { 1552} (( segid " " and resid 111 and name HN )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 0.333 CV 1 ASSI { 1553} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 6.000 4.500 0.000 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.600 ppm2 4.218 CV 1 ASSI { 1568} (( segid " " and resid 18 and name HN )) (( segid " " and resid 93 and name HA )) 6.000 4.500 0.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.521 ppm2 4.434 CV 1 ASSI { 1569} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB2 )) 6.000 4.500 0.000 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.513 ppm2 2.744 CV 1 ASSI { 1570} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB1 )) 6.000 4.500 0.000 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.512 ppm2 2.621 CV 1 ASSI { 1571} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 6.000 4.500 0.000 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.511 ppm2 4.600 CV 1 ASSI { 1572} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.509 ppm2 4.226 CV 1 ASSI { 1576} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 6.000 4.500 0.000 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.185 ppm2 8.329 CV 1 ASSI { 1577} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 6.000 4.500 0.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.186 ppm2 4.667 CV 1 ASSI { 1578} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.184 ppm2 4.248 CV 1 ASSI { 1579} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HG2 )) 6.000 4.500 0.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.181 ppm2 2.527 CV 1 ASSI { 1581} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB1 )) 6.000 4.500 0.000 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.184 ppm2 2.375 CV 1 ASSI { 1582} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.183 ppm2 2.160 CV 1 ASSI { 1583} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB )) 6.000 4.500 0.000 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.183 ppm2 2.002 CV 1 ASSI { 1584} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.184 ppm2 1.022 CV 1 OR { 1584} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG1%) ASSI { 1589} (( segid " " and resid 111 and name HN )) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.603 ppm2 5.498 CV 1 ASSI { 1590} (( segid " " and resid 111 and name HN )) (( segid " " and resid 108 and name HB )) 6.000 4.500 0.000 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.606 ppm2 4.661 CV 1 ASSI { 1593} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 6.000 4.500 0.000 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.821 ppm2 4.579 CV 1 ASSI { 1616} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HD2 )) 6.000 4.500 0.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.189 ppm2 3.995 CV 1 OR { 1616} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HD1 )) ASSI { 1619} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 6.000 4.500 0.000 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.551 ppm2 8.072 CV 1 ASSI { 1621} (( segid " " and resid 118 and name HN )) ( segid " " and resid 116 and name HD% ) 6.000 4.500 0.000 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.556 ppm2 6.696 CV 1 ASSI { 1623} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 6.000 4.500 0.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.551 ppm2 5.034 CV 1 ASSI { 1624} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 6.000 4.500 0.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.551 ppm2 3.835 CV 1 ASSI { 1626} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.552 ppm2 3.299 CV 1 ASSI { 1627} (( segid " " and resid 118 and name HN )) (( segid " " and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.551 ppm2 2.985 CV 1 ASSI { 1629} (( segid " " and resid 118 and name HN )) (( segid " " and resid 121 and name HD1 )) 6.000 4.500 0.000 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 2.450 CV 1 ASSI { 1630} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HG1 )) 6.000 4.500 0.000 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.550 ppm2 2.154 CV 1 ASSI { 1631} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.552 ppm2 1.965 CV 1 ASSI { 1640} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HE21)) 6.000 4.500 0.000 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.517 ppm2 7.940 CV 1 ASSI { 1647} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 7.848 CV 1 ASSI { 1649} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HN )) 6.000 4.500 0.000 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 7.250 CV 1 ASSI { 1655} (( segid " " and resid 151 and name HN )) (( segid " " and resid 148 and name HA )) 6.000 4.500 0.000 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.556 ppm2 4.468 CV 1 ASSI { 1656} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 6.000 4.500 0.000 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.554 ppm2 4.096 CV 1 ASSI { 1658} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.549 ppm2 3.426 CV 1 ASSI { 1660} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HB1 )) 6.000 4.500 0.000 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.554 ppm2 2.692 CV 1 ASSI { 1661} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HG1 )) 6.000 4.500 0.000 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.554 ppm2 1.449 CV 1 ASSI { 1662} (( segid " " and resid 151 and name HN )) ( segid " " and resid 151 and name HB% ) 6.000 4.500 0.000 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.554 ppm2 1.212 CV 1 ASSI { 1664} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 0.917 CV 1 ASSI { 1672} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) 6.000 4.500 0.000 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.303 ppm2 8.299 CV 1 ASSI { 1673} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 6.000 4.500 0.000 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.302 ppm2 1.248 CV 1 OR { 1673} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 1674} (( segid " " and resid 11 and name HN )) (( segid " " and resid 14 and name HA )) 6.000 4.500 0.000 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.298 ppm2 4.270 CV 1 ASSI { 1677} (( segid " " and resid 129 and name HN )) (( segid " " and resid 132 and name HN )) 6.000 4.500 0.000 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.632 ppm2 8.296 CV 1 ASSI { 1678} (( segid " " and resid 129 and name HN )) (( segid " " and resid 126 and name HE3 )) 6.000 4.500 0.000 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.638 ppm2 7.807 CV 1 ASSI { 1679} (( segid " " and resid 129 and name HN )) (( segid " " and resid 130 and name HN )) 6.000 4.500 0.000 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.631 ppm2 7.605 CV 1 ASSI { 1680} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.634 ppm2 7.209 CV 1 ASSI { 1681} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HN )) 6.000 4.500 0.000 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.632 ppm2 6.517 CV 1 ASSI { 1683} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 6.000 4.500 0.000 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.634 ppm2 3.860 CV 1 ASSI { 1684} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 6.000 4.500 0.000 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.633 ppm2 3.172 CV 1 ASSI { 1685} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.631 ppm2 2.901 CV 1 ASSI { 1688} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.635 ppm2 0.288 CV 1 ASSI { 1689} (( segid " " and resid 129 and name HN )) ( segid " " and resid 147 and name HD1%) 6.000 4.500 0.000 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.633 ppm2 -0.463 CV 1 ASSI { 1697} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 6.000 4.500 0.000 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.516 ppm2 4.430 CV 1 ASSI { 1699} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA1 )) 6.000 4.500 0.000 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.517 ppm2 3.871 CV 1 ASSI { 1701} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG1 )) 6.000 4.500 0.000 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.515 ppm2 2.417 CV 1 OR { 1701} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG2 )) ASSI { 1702} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB1 )) 6.000 4.500 0.000 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.515 ppm2 2.259 CV 1 ASSI { 1705} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HD2 )) 6.000 4.500 0.000 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.511 ppm2 3.677 CV 1 OR { 1705} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HD1 )) ASSI { 1711} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) 6.000 4.500 0.000 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 8.509 CV 1 ASSI { 1716} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 6.000 4.500 0.000 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.621 ppm2 4.706 CV 1 ASSI { 1717} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 6.000 4.500 0.000 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.619 ppm2 4.608 CV 1 ASSI { 1718} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HA )) 6.000 4.500 0.000 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.616 ppm2 4.462 CV 1 ASSI { 1720} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HD1 )) 6.000 4.500 0.000 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.625 ppm2 3.549 CV 1 ASSI { 1721} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB2 )) 6.000 4.500 0.000 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.617 ppm2 2.739 CV 1 ASSI { 1722} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB1 )) 6.000 4.500 0.000 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 2.628 CV 1 ASSI { 1723} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG1 )) 6.000 4.500 0.000 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.619 ppm2 2.301 CV 1 OR { 1723} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG2 )) ASSI { 1724} (( segid " " and resid 50 and name HN )) (( segid " " and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.623 ppm2 2.181 CV 1 OR { 1724} (( segid " " and resid 50 and name HN )) (( segid " " and resid 44 and name HB2 )) ASSI { 1726} (( segid " " and resid 50 and name HN )) (( segid " " and resid 44 and name HG1 )) 6.000 4.500 0.000 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 1.916 CV 1 ASSI { 1733} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HN )) 6.000 4.500 0.000 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.874 ppm2 9.013 CV 1 ASSI { 1734} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HN )) 6.000 4.500 0.000 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.871 ppm2 7.932 CV 1 ASSI { 1736} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 6.000 4.500 0.000 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.874 ppm2 4.822 CV 1 ASSI { 1737} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB )) 6.000 4.500 0.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.872 ppm2 4.667 CV 1 ASSI { 1739} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 6.000 4.500 0.000 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.874 ppm2 4.018 CV 1 ASSI { 1740} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB2 )) 6.000 4.500 0.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.866 ppm2 1.355 CV 1 ASSI { 1743} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HD2%) 6.000 4.500 0.000 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.623 ppm2 0.571 CV 1 OR { 1743} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HD1%) ASSI { 1744} (( segid " " and resid 4 and name HN )) (( segid " " and resid 102 and name HN )) 6.000 4.500 0.000 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.607 ppm2 8.387 CV 1 ASSI { 1745} (( segid " " and resid 4 and name HN )) (( segid " " and resid 100 and name HN )) 6.000 4.500 0.000 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.608 ppm2 7.504 CV 1 ASSI { 1746} (( segid " " and resid 129 and name HN )) (( segid " " and resid 131 and name HN )) 6.000 4.500 0.000 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.610 ppm2 6.937 CV 1 ASSI { 1747} (( segid " " and resid 4 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.614 ppm2 4.815 CV 1 ASSI { 1748} (( segid " " and resid 4 and name HN )) (( segid " " and resid 101 and name HA )) 6.000 4.500 0.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.608 ppm2 4.538 CV 1 ASSI { 1756} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 6.000 4.500 0.000 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 9.540 CV 1 ASSI { 1758} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 6.830 CV 1 ASSI { 1760} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 6.000 4.500 0.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.602 ppm2 4.964 CV 1 ASSI { 1761} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 6.000 4.500 0.000 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.603 ppm2 2.731 CV 1 OR { 1761} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 1764} (( segid " " and resid 4 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.599 ppm2 0.114 CV 1 ASSI { 1765} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.849 ppm2 8.298 CV 1 ASSI { 1769} (( segid " " and resid 150 and name HN )) (( segid " " and resid 152 and name HN )) 6.000 4.500 0.000 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.852 ppm2 7.241 CV 1 ASSI { 1772} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 6.000 4.500 0.000 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.849 ppm2 4.040 CV 1 ASSI { 1773} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD2 )) 6.000 4.500 0.000 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.853 ppm2 3.114 CV 1 ASSI { 1774} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD1 )) 6.000 4.500 0.000 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.851 ppm2 2.951 CV 1 ASSI { 1776} (( segid " " and resid 150 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.852 ppm2 -0.544 CV 1 ASSI { 1779} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB )) 6.000 4.500 0.000 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.846 ppm2 4.183 CV 1 ASSI { 1782} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.847 ppm2 0.919 CV 1 ASSI { 1784} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.812 ppm2 9.276 CV 1 ASSI { 1785} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.810 ppm2 8.736 CV 1 ASSI { 1788} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.813 ppm2 6.881 CV 1 ASSI { 1789} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 6.000 4.500 0.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.813 ppm2 4.551 CV 1 ASSI { 1790} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.818 ppm2 3.642 CV 1 ASSI { 1791} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HG1 )) 6.000 4.500 0.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.812 ppm2 2.378 CV 1 OR { 1791} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HG2 )) ASSI { 1793} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.811 ppm2 1.842 CV 1 ASSI { 1797} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.813 ppm2 0.706 CV 1 ASSI { 1798} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.812 ppm2 0.470 CV 1 ASSI { 1801} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.809 ppm2 7.683 CV 1 ASSI { 1802} (( segid " " and resid 70 and name HN )) (( segid " " and resid 74 and name HN )) 6.000 4.500 0.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.791 ppm2 8.877 CV 1 ASSI { 1804} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 4.244 CV 1 ASSI { 1806} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.043 ppm2 1.961 CV 1 ASSI { 1808} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) 6.000 4.500 0.000 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.038 ppm2 4.289 CV 1 ASSI { 1817} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 6.000 4.500 0.000 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.871 ppm2 2.031 CV 1 OR { 1817} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB1 )) ASSI { 1818} (( segid " " and resid 109 and name HN )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.872 ppm2 1.202 CV 1 ASSI { 1819} (( segid " " and resid 4 and name HN )) (( segid " " and resid 98 and name HA )) 6.000 4.500 0.000 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.606 ppm2 4.177 CV 1 ASSI { 1821} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.603 ppm2 5.609 CV 1 ASSI { 1822} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB2 )) 6.000 4.500 0.000 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.843 ppm2 3.243 CV 1 ASSI { 1823} (( segid " " and resid 70 and name HN )) (( segid " " and resid 66 and name HA )) 6.000 4.500 0.000 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.814 ppm2 3.338 CV 1 ASSI { 1828} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 6.000 4.500 0.000 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.035 ppm2 9.299 CV 1 ASSI { 1830} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HN )) 6.000 4.500 0.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 7.504 CV 1 ASSI { 1835} (( segid " " and resid 121 and name HN )) (( segid " " and resid 124 and name HN )) 6.000 4.500 0.000 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 6.500 CV 1 ASSI { 1836} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 6.000 4.500 0.000 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 5.016 CV 1 ASSI { 1837} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.040 ppm2 3.001 CV 1 ASSI { 1839} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HG2 )) 6.000 4.500 0.000 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 1.394 CV 1 ASSI { 1842} (( segid " " and resid 121 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.036 ppm2 0.470 CV 1 ASSI { 1843} (( segid " " and resid 121 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 0.338 CV 1 ASSI { 1844} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB1 )) 6.000 4.500 0.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 -0.393 CV 1 ASSI { 1846} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.311 ppm2 4.063 CV 1 ASSI { 1849} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.428 ppm2 8.539 CV 1 ASSI { 1850} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HD22)) 6.000 4.500 0.000 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.429 ppm2 6.843 CV 1 ASSI { 1858} (( segid " " and resid 52 and name HN )) (( segid " " and resid 43 and name HA )) 6.000 4.500 0.000 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.995 ppm2 5.099 CV 1 ASSI { 1859} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 6.000 4.500 0.000 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.995 ppm2 4.442 CV 1 ASSI { 1861} (( segid " " and resid 52 and name HN )) (( segid " " and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.995 ppm2 3.941 CV 1 ASSI { 1863} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 6.000 4.500 0.000 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.997 ppm2 2.727 CV 1 ASSI { 1864} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) 6.000 4.500 0.000 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.996 ppm2 2.352 CV 1 ASSI { 1865} (( segid " " and resid 52 and name HN )) (( segid " " and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.998 ppm2 2.198 CV 1 OR { 1865} (( segid " " and resid 52 and name HN )) (( segid " " and resid 44 and name HB2 )) ASSI { 1866} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 6.000 4.500 0.000 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.997 ppm2 2.023 CV 1 ASSI { 1867} (( segid " " and resid 52 and name HN )) (( segid " " and resid 44 and name HG1 )) 6.000 4.500 0.000 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.998 ppm2 1.912 CV 1 ASSI { 1870} (( segid " " and resid 52 and name HN )) (( segid " " and resid 41 and name HG1 )) 6.000 4.500 0.000 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.987 ppm2 1.150 CV 1 ASSI { 1875} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HG1 )) 6.000 4.500 0.000 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.732 ppm2 2.398 CV 1 ASSI { 1877} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.727 ppm2 9.288 CV 1 ASSI { 1878} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HN )) 6.000 4.500 0.000 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.728 ppm2 8.889 CV 1 ASSI { 1879} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HD22)) 6.000 4.500 0.000 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.728 ppm2 7.405 CV 1 ASSI { 1881} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HA )) 6.000 4.500 0.000 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.727 ppm2 4.524 CV 1 ASSI { 1883} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HA )) 6.000 4.500 0.000 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.725 ppm2 4.171 CV 1 ASSI { 1886} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.730 ppm2 3.427 CV 1 ASSI { 1887} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 6.000 4.500 0.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.728 ppm2 2.957 CV 1 ASSI { 1889} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.729 ppm2 2.591 CV 1 ASSI { 1892} (( segid " " and resid 72 and name HN )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.726 ppm2 1.042 CV 1 ASSI { 1893} (( segid " " and resid 72 and name HN )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.725 ppm2 0.933 CV 1 OR { 1893} (( segid " " and resid 72 and name HN )) ( segid " " and resid 69 and name HD2%) ASSI { 1895} (( segid " " and resid 72 and name HN )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.729 ppm2 0.603 CV 1 ASSI { 1900} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HA )) 6.000 4.500 0.000 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.314 ppm2 4.279 CV 1 ASSI { 1909} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.425 ppm2 7.387 CV 1 ASSI { 1910} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 6.000 4.500 0.000 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.431 ppm2 4.565 CV 1 ASSI { 1911} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 6.000 4.500 0.000 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.429 ppm2 4.086 CV 1 ASSI { 1912} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.428 ppm2 3.474 CV 1 ASSI { 1913} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 6.000 4.500 0.000 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.428 ppm2 3.335 CV 1 ASSI { 1914} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 6.000 4.500 0.000 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.431 ppm2 2.881 CV 1 ASSI { 1915} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) 6.000 4.500 0.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.429 ppm2 2.674 CV 1 ASSI { 1916} (( segid " " and resid 19 and name HN )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.426 ppm2 2.091 CV 1 ASSI { 1917} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB )) 6.000 4.500 0.000 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.429 ppm2 1.586 CV 1 ASSI { 1918} (( segid " " and resid 19 and name HN )) ( segid " " and resid 20 and name HB% ) 6.000 4.500 0.000 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.430 ppm2 1.533 CV 1 ASSI { 1920} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.429 ppm2 0.649 CV 1 ASSI { 1921} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.430 ppm2 0.309 CV 1 ASSI { 1923} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.298 ppm2 7.626 CV 1 ASSI { 1924} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 6.000 4.500 0.000 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.300 ppm2 3.700 CV 1 ASSI { 1925} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG2 )) 6.000 4.500 0.000 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.294 ppm2 2.845 CV 1 ASSI { 1926} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG1 )) 6.000 4.500 0.000 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.297 ppm2 2.034 CV 1 ASSI { 1930} (( segid " " and resid 77 and name HN )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.299 ppm2 0.845 CV 1 ASSI { 1931} (( segid " " and resid 77 and name HN )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.297 ppm2 0.756 CV 1 OR { 1931} (( segid " " and resid 77 and name HN )) (( segid " " and resid 94 and name HG )) ASSI { 1933} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HA )) 6.000 4.500 0.000 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.288 ppm2 4.191 CV 1 ASSI { 1934} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 6.000 4.500 0.000 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.289 ppm2 2.588 CV 1 ASSI { 1936} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 6.000 4.500 0.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.999 ppm2 8.735 CV 1 ASSI { 1940} (( segid " " and resid 52 and name HN )) (( segid " " and resid 44 and name HD1 )) 6.000 4.500 0.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.997 ppm2 3.749 CV 1 ASSI { 1946} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HN )) 6.000 4.500 0.000 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.322 ppm2 9.010 CV 1 ASSI { 1948} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 7.577 CV 1 ASSI { 1953} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 6.000 4.500 0.000 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 4.918 CV 1 ASSI { 1954} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 4.183 CV 1 ASSI { 1957} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 6.000 4.500 0.000 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 2.913 CV 1 ASSI { 1959} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB1 )) 6.000 4.500 0.000 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 2.572 CV 1 ASSI { 1961} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HG11)) 6.000 4.500 0.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 2.087 CV 1 OR { 1961} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HG12)) ASSI { 1962} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HG )) 6.000 4.500 0.000 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.316 ppm2 1.936 CV 1 ASSI { 1964} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HB1 )) 6.000 4.500 0.000 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.320 ppm2 1.249 CV 1 ASSI { 1968} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HB1 )) 6.000 4.500 0.000 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.619 ppm2 2.317 CV 1 OR { 1968} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HB2 )) ASSI { 1970} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.613 ppm2 8.294 CV 1 ASSI { 1971} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.611 ppm2 7.633 CV 1 ASSI { 1972} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 6.000 4.500 0.000 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.611 ppm2 4.167 CV 1 ASSI { 1973} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HA )) 6.000 4.500 0.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.610 ppm2 3.748 CV 1 ASSI { 1974} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG2 )) 6.000 4.500 0.000 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.615 ppm2 2.616 CV 1 ASSI { 1975} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG1 )) 6.000 4.500 0.000 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.613 ppm2 2.466 CV 1 ASSI { 1976} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 6.000 4.500 0.000 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.611 ppm2 2.179 CV 1 ASSI { 1977} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG )) 6.000 4.500 0.000 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.607 ppm2 1.733 CV 1 ASSI { 1978} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB1 )) 6.000 4.500 0.000 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.615 ppm2 1.540 CV 1 ASSI { 1981} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HN )) 6.000 4.500 0.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.568 ppm2 8.199 CV 1 ASSI { 1982} (( segid " " and resid 22 and name HN )) (( segid " " and resid 19 and name HA )) 6.000 4.500 0.000 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.565 ppm2 4.564 CV 1 ASSI { 1986} (( segid " " and resid 22 and name HN )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.565 ppm2 0.691 CV 1 ASSI { 1988} (( segid " " and resid 22 and name HN )) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.558 ppm2 7.885 CV 1 ASSI { 1989} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.563 ppm2 7.747 CV 1 ASSI { 1991} (( segid " " and resid 22 and name HN )) (( segid " " and resid 18 and name HA )) 6.000 4.500 0.000 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.564 ppm2 3.336 CV 1 ASSI { 1992} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.564 ppm2 2.084 CV 1 ASSI { 1993} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG )) 6.000 4.500 0.000 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.564 ppm2 1.842 CV 1 ASSI { 1995} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.563 ppm2 1.093 CV 1 ASSI { 1996} (( segid " " and resid 22 and name HN )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.560 ppm2 0.291 CV 1 ASSI { 2005} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.419 ppm2 4.195 CV 1 ASSI { 2018} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.876 ppm2 8.723 CV 1 ASSI { 2025} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 6.000 4.500 0.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.875 ppm2 4.320 CV 1 ASSI { 2026} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HA )) 6.000 4.500 0.000 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.874 ppm2 4.188 CV 1 ASSI { 2027} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.873 ppm2 3.630 CV 1 ASSI { 2028} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA )) 6.000 4.500 0.000 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.876 ppm2 3.355 CV 1 ASSI { 2029} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG1 )) 6.000 4.500 0.000 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.874 ppm2 2.394 CV 1 OR { 2029} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG2 )) ASSI { 2030} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 6.000 4.500 0.000 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.875 ppm2 2.173 CV 1 ASSI { 2031} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) 6.000 4.500 0.000 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.876 ppm2 1.834 CV 1 OR { 2031} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 2033} (( segid " " and resid 68 and name HN )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.875 ppm2 1.439 CV 1 ASSI { 2034} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.876 ppm2 1.298 CV 1 ASSI { 2039} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HD22)) 6.000 4.500 0.000 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.867 ppm2 7.444 CV 1 ASSI { 2050} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 6.000 4.500 0.000 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.332 ppm2 5.174 CV 1 ASSI { 2052} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HA )) 6.000 4.500 0.000 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.331 ppm2 4.679 CV 1 ASSI { 2054} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.332 ppm2 4.246 CV 1 ASSI { 2055} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HA1 )) 6.000 4.500 0.000 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.332 ppm2 3.863 CV 1 OR { 2055} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HA2 )) ASSI { 2056} (( segid " " and resid 104 and name HN )) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.335 ppm2 3.303 CV 1 ASSI { 2057} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB1 )) 6.000 4.500 0.000 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.333 ppm2 2.990 CV 1 ASSI { 2058} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG2 )) 6.000 4.500 0.000 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.332 ppm2 2.511 CV 1 ASSI { 2059} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB1 )) 6.000 4.500 0.000 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.332 ppm2 2.380 CV 1 ASSI { 2060} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.331 ppm2 2.167 CV 1 ASSI { 2063} (( segid " " and resid 104 and name HN )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.333 ppm2 0.621 CV 1 ASSI { 2068} (( segid " " and resid 68 and name HN )) (( segid " " and resid 65 and name HA )) 6.000 4.500 0.000 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.879 ppm2 4.594 CV 1 ASSI { 2069} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.877 ppm2 0.537 CV 1 ASSI { 2075} (( segid " " and resid 53 and name HN )) (( segid " " and resid 14 and name HG2 )) 6.000 4.500 0.000 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 2.012 CV 1 OR { 2075} (( segid " " and resid 53 and name HN )) (( segid " " and resid 14 and name HG1 )) ASSI { 2077} (( segid " " and resid 53 and name HN )) (( segid " " and resid 42 and name HN )) 6.000 4.500 0.000 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.730 ppm2 9.606 CV 1 ASSI { 2080} (( segid " " and resid 53 and name HN )) (( segid " " and resid 43 and name HA )) 6.000 4.500 0.000 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.728 ppm2 5.105 CV 1 ASSI { 2082} (( segid " " and resid 53 and name HN )) (( segid " " and resid 44 and name HA )) 6.000 4.500 0.000 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.727 ppm2 4.397 CV 1 ASSI { 2083} (( segid " " and resid 53 and name HN )) (( segid " " and resid 42 and name HB )) 6.000 4.500 0.000 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.728 ppm2 4.165 CV 1 ASSI { 2084} (( segid " " and resid 53 and name HN )) (( segid " " and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.733 ppm2 3.952 CV 1 ASSI { 2085} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 6.000 4.500 0.000 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.731 ppm2 2.743 CV 1 ASSI { 2087} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 6.000 4.500 0.000 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.731 ppm2 2.442 CV 1 ASSI { 2097} (( segid " " and resid 53 and name HN )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 1.245 CV 1 ASSI { 2114} (( segid " " and resid 58 and name HN )) (( segid " " and resid 7 and name HN )) 6.000 4.500 0.000 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.153 ppm2 8.820 CV 1 ASSI { 2115} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.156 ppm2 8.602 CV 1 ASSI { 2116} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.154 ppm2 5.659 CV 1 ASSI { 2117} (( segid " " and resid 58 and name HN )) (( segid " " and resid 6 and name HA )) 6.000 4.500 0.000 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 5.044 CV 1 ASSI { 2119} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.162 ppm2 4.820 CV 1 ASSI { 2120} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB )) 6.000 4.500 0.000 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.153 ppm2 1.959 CV 1 ASSI { 2124} (( segid " " and resid 58 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 1.343 CV 1 ASSI { 2127} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 0.971 CV 1 OR { 2127} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 2131} (( segid " " and resid 58 and name HN )) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.144 ppm2 9.300 CV 1 ASSI { 2133} (( segid " " and resid 126 and name HN )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.728 ppm2 1.194 CV 1 ASSI { 2134} (( segid " " and resid 87 and name HN )) (( segid " " and resid 84 and name HB1 )) 6.000 4.500 0.000 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.464 ppm2 1.280 CV 1 ASSI { 2142} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 6.000 4.500 0.000 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.255 ppm2 4.633 CV 1 ASSI { 2144} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 6.000 4.500 0.000 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.254 ppm2 4.098 CV 1 ASSI { 2146} (( segid " " and resid 152 and name HN )) (( segid " " and resid 147 and name HA )) 6.000 4.500 0.000 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.256 ppm2 3.683 CV 1 ASSI { 2147} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB1 )) 6.000 4.500 0.000 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.255 ppm2 2.701 CV 1 ASSI { 2148} (( segid " " and resid 152 and name HN )) ( segid " " and resid 151 and name HB% ) 6.000 4.500 0.000 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.255 ppm2 1.214 CV 1 ASSI { 2149} (( segid " " and resid 152 and name HN )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.256 ppm2 0.929 CV 1 ASSI { 2156} (( segid " " and resid 124 and name HN )) (( segid " " and resid 122 and name HA1 )) 6.000 4.500 0.000 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.507 ppm2 2.790 CV 1 ASSI { 2157} (( segid " " and resid 124 and name HN )) (( segid " " and resid 126 and name HN )) 6.000 4.500 0.000 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.497 ppm2 8.737 CV 1 ASSI { 2158} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HN )) 6.000 4.500 0.000 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.502 ppm2 7.481 CV 1 ASSI { 2160} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HN )) 6.000 4.500 0.000 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.499 ppm2 7.037 CV 1 ASSI { 2161} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 6.000 4.500 0.000 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.502 ppm2 4.386 CV 1 ASSI { 2162} (( segid " " and resid 124 and name HN )) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.501 ppm2 4.064 CV 1 ASSI { 2164} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB1 )) 6.000 4.500 0.000 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.496 ppm2 2.893 CV 1 ASSI { 2172} (( segid " " and resid 124 and name HN )) (( segid " " and resid 121 and name HD1 )) 6.000 4.500 0.000 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.492 ppm2 2.444 CV 1 ASSI { 2174} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.479 ppm2 0.345 CV 1 ASSI { 2177} (( segid " " and resid 126 and name HN )) (( segid " " and resid 129 and name HN )) 6.000 4.500 0.000 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.735 ppm2 8.602 CV 1 ASSI { 2178} (( segid " " and resid 126 and name HN )) (( segid " " and resid 122 and name HA1 )) 6.000 4.500 0.000 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.735 ppm2 2.821 CV 1 ASSI { 2179} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.736 ppm2 0.338 CV 1 ASSI { 2180} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) 6.000 4.500 0.000 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.731 ppm2 7.474 CV 1 ASSI { 2186} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 6.000 4.500 0.000 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.730 ppm2 4.764 CV 1 ASSI { 2188} (( segid " " and resid 126 and name HN )) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.729 ppm2 4.072 CV 1 ASSI { 2189} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 6.000 4.500 0.000 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.728 ppm2 3.832 CV 1 ASSI { 2191} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.730 ppm2 2.977 CV 1 ASSI { 2192} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HG2 )) 6.000 4.500 0.000 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.728 ppm2 2.021 CV 1 ASSI { 2193} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HB1 )) 6.000 4.500 0.000 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 1.936 CV 1 ASSI { 2196} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.730 ppm2 1.447 CV 1 ASSI { 2197} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB2 )) 6.000 4.500 0.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.726 ppm2 1.066 CV 1 ASSI { 2198} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.732 ppm2 0.931 CV 1 ASSI { 2201} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.732 ppm2 0.450 CV 1 ASSI { 2202} (( segid " " and resid 126 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.732 ppm2 -0.550 CV 1 ASSI { 2203} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.720 ppm2 6.778 CV 1 ASSI { 2204} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB2 )) 6.000 4.500 0.000 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.460 ppm2 2.011 CV 1 ASSI { 2206} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 6.000 4.500 0.000 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.455 ppm2 4.065 CV 1 ASSI { 2207} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HG1 )) 6.000 4.500 0.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.452 ppm2 2.209 CV 1 OR { 2207} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HG2 )) ASSI { 2208} (( segid " " and resid 87 and name HN )) ( segid " " and resid 86 and name HB% ) 6.000 4.500 0.000 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.457 ppm2 1.418 CV 1 ASSI { 2217} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.255 ppm2 3.392 CV 1 ASSI { 2220} (( segid " " and resid 152 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.257 ppm2 -0.549 CV 1 ASSI { 2226} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) 6.000 4.500 0.000 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.497 ppm2 2.115 CV 1 OR { 2226} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB1 )) ASSI { 2227} (( segid " " and resid 124 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.501 ppm2 0.461 CV 1 ASSI { 2229} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA1 )) 6.000 4.500 0.000 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.546 ppm2 5.738 CV 1 ASSI { 2230} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.544 ppm2 3.765 CV 1 ASSI { 2231} (( segid " " and resid 9 and name HN )) (( segid " " and resid 55 and name HB1 )) 6.000 4.500 0.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.544 ppm2 3.144 CV 1 ASSI { 2233} (( segid " " and resid 9 and name HN )) (( segid " " and resid 54 and name HN )) 6.000 4.500 0.000 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.533 ppm2 8.701 CV 1 ASSI { 2239} (( segid " " and resid 71 and name HN )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.687 ppm2 6.891 CV 1 ASSI { 2243} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HN )) 6.000 4.500 0.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.618 ppm2 6.914 CV 1 ASSI { 2246} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB2 )) 6.000 4.500 0.000 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.619 ppm2 3.157 CV 1 ASSI { 2247} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.618 ppm2 2.621 CV 1 ASSI { 2248} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.617 ppm2 2.283 CV 1 OR { 2248} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HG1 )) ASSI { 2250} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG )) 6.000 4.500 0.000 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.621 ppm2 1.723 CV 1 ASSI { 2251} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB1 )) 6.000 4.500 0.000 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 1.552 CV 1 ASSI { 2254} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HA )) 6.000 4.500 0.000 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.435 ppm2 4.454 CV 1 ASSI { 2257} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 6.000 4.500 0.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.541 ppm2 8.786 CV 1 ASSI { 2261} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.686 ppm2 9.284 CV 1 ASSI { 2262} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.685 ppm2 8.164 CV 1 ASSI { 2265} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HD22)) 6.000 4.500 0.000 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.685 ppm2 7.430 CV 1 ASSI { 2266} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HD21)) 6.000 4.500 0.000 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.683 ppm2 7.194 CV 1 ASSI { 2269} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 6.000 4.500 0.000 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.686 ppm2 4.557 CV 1 ASSI { 2271} (( segid " " and resid 71 and name HN )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.689 ppm2 3.626 CV 1 ASSI { 2272} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.684 ppm2 3.395 CV 1 ASSI { 2273} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 6.000 4.500 0.000 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.687 ppm2 3.057 CV 1 ASSI { 2274} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.686 ppm2 2.595 CV 1 ASSI { 2280} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.690 ppm2 0.995 CV 1 ASSI { 2281} (( segid " " and resid 71 and name HN )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.687 ppm2 0.699 CV 1 ASSI { 2282} (( segid " " and resid 71 and name HN )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.685 ppm2 0.464 CV 1 ASSI { 2287} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HN )) 6.000 4.500 0.000 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.618 ppm2 6.531 CV 1 ASSI { 2291} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 1.214 CV 1 ASSI { 2293} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.611 ppm2 2.904 CV 1 ASSI { 2295} (( segid " " and resid 147 and name HN )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.435 ppm2 8.307 CV 1 ASSI { 2297} (( segid " " and resid 147 and name HN )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.432 ppm2 7.189 CV 1 ASSI { 2299} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.430 ppm2 7.565 CV 1 ASSI { 2301} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 6.730 CV 1 ASSI { 2302} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.426 ppm2 4.234 CV 1 ASSI { 2303} (( segid " " and resid 147 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.424 ppm2 4.089 CV 1 ASSI { 2304} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 6.000 4.500 0.000 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.430 ppm2 3.671 CV 1 ASSI { 2305} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 3.522 CV 1 ASSI { 2308} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HG1 )) 6.000 4.500 0.000 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.423 ppm2 2.473 CV 1 ASSI { 2310} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.428 ppm2 1.798 CV 1 ASSI { 2311} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HG12)) 6.000 4.500 0.000 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.430 ppm2 1.572 CV 1 ASSI { 2313} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.428 ppm2 1.092 CV 1 ASSI { 2314} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG )) 6.000 4.500 0.000 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 0.892 CV 1 ASSI { 2315} (( segid " " and resid 147 and name HN )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 0.721 CV 1 ASSI { 2316} (( segid " " and resid 147 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.428 ppm2 0.474 CV 1 ASSI { 2319} (( segid " " and resid 147 and name HN )) ( segid " " and resid 147 and name HD1%) 6.000 4.500 0.000 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 -0.492 CV 1 ASSI { 2320} (( segid " " and resid 147 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 -0.535 CV 1 ASSI { 2326} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 4.250 CV 1 ASSI { 2330} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 6.000 4.500 0.000 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.897 ppm2 4.414 CV 1 ASSI { 2332} (( segid " " and resid 93 and name HN )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.892 ppm2 0.869 CV 1 ASSI { 2338} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HG2%) 6.000 4.500 0.000 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.887 ppm2 1.162 CV 1 ASSI { 2347} (( segid " " and resid 144 and name HN )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.594 ppm2 7.226 CV 1 ASSI { 2348} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.594 ppm2 4.819 CV 1 ASSI { 2349} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.595 ppm2 4.076 CV 1 ASSI { 2350} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.595 ppm2 3.521 CV 1 ASSI { 2351} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HD1 )) 6.000 4.500 0.000 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.598 ppm2 3.262 CV 1 OR { 2351} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HD2 )) ASSI { 2352} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB1 )) 6.000 4.500 0.000 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.598 ppm2 1.374 CV 1 ASSI { 2354} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 9.255 CV 1 ASSI { 2355} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HN )) 6.000 4.500 0.000 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 8.410 CV 1 ASSI { 2356} (( segid " " and resid 144 and name HN )) (( segid " " and resid 146 and name HN )) 6.000 4.500 0.000 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.585 ppm2 7.879 CV 1 ASSI { 2359} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 6.741 CV 1 ASSI { 2362} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 2.788 CV 1 ASSI { 2363} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 2.657 CV 1 ASSI { 2365} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 2.132 CV 1 ASSI { 2366} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB1 )) 6.000 4.500 0.000 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 1.795 CV 1 ASSI { 2367} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.591 ppm2 1.592 CV 1 ASSI { 2368} (( segid " " and resid 144 and name HN )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 1.063 CV 1 ASSI { 2369} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.591 ppm2 0.956 CV 1 ASSI { 2372} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 6.000 4.500 0.000 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.996 ppm2 9.147 CV 1 ASSI { 2377} (( segid " " and resid 93 and name HN )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.896 ppm2 1.850 CV 1 ASSI { 2378} (( segid " " and resid 93 and name HN )) (( segid " " and resid 87 and name HB1 )) 6.000 4.500 0.000 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.886 ppm2 1.972 CV 1 ASSI { 2379} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HB1 )) 6.000 4.500 0.000 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.885 ppm2 1.428 CV 1 ASSI { 2380} (( segid " " and resid 120 and name HD21)) (( segid " " and resid 120 and name HD22)) 6.000 4.500 0.000 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.063 ppm2 6.900 CV 1 ASSI { 2381} (( segid " " and resid 120 and name HD21)) (( segid " " and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.062 ppm2 2.549 CV 1 ASSI { 2384} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.566 ppm2 8.297 CV 1 ASSI { 2388} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.567 ppm2 6.724 CV 1 ASSI { 2390} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 6.000 4.500 0.000 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.567 ppm2 4.455 CV 1 ASSI { 2391} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.565 ppm2 4.235 CV 1 ASSI { 2393} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA )) 6.000 4.500 0.000 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.567 ppm2 3.674 CV 1 ASSI { 2394} (( segid " " and resid 148 and name HN )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.569 ppm2 3.525 CV 1 ASSI { 2396} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.562 ppm2 1.795 CV 1 ASSI { 2397} (( segid " " and resid 148 and name HN )) (( segid " " and resid 144 and name HG1 )) 6.000 4.500 0.000 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.568 ppm2 1.613 CV 1 OR { 2397} (( segid " " and resid 148 and name HN )) (( segid " " and resid 144 and name HG2 )) ASSI { 2398} (( segid " " and resid 148 and name HN )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.565 ppm2 1.258 CV 1 ASSI { 2399} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.566 ppm2 1.098 CV 1 ASSI { 2401} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB1 )) 6.000 4.500 0.000 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.566 ppm2 0.694 CV 1 ASSI { 2402} (( segid " " and resid 148 and name HN )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.568 ppm2 -0.535 CV 1 ASSI { 2403} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HG1 )) 6.000 4.500 0.000 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.561 ppm2 2.470 CV 1 ASSI { 2405} (( segid " " and resid 120 and name HD22)) (( segid " " and resid 120 and name HN )) 6.000 4.500 0.000 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.915 ppm2 7.502 CV 1 ASSI { 2410} (( segid " " and resid 120 and name HD22)) (( segid " " and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.903 ppm2 3.000 CV 1 ASSI { 2411} (( segid " " and resid 120 and name HD22)) (( segid " " and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.900 ppm2 2.542 CV 1 ASSI { 2416} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HN )) 6.000 4.500 0.000 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.747 ppm2 8.419 CV 1 ASSI { 2421} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 4.500 0.000 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.747 ppm2 4.815 CV 1 ASSI { 2422} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.744 ppm2 4.244 CV 1 ASSI { 2423} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.746 ppm2 4.099 CV 1 ASSI { 2424} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HA )) 6.000 4.500 0.000 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.742 ppm2 3.650 CV 1 ASSI { 2425} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.742 ppm2 3.524 CV 1 ASSI { 2426} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.745 ppm2 2.809 CV 1 ASSI { 2427} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.744 ppm2 2.658 CV 1 ASSI { 2428} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG1 )) 6.000 4.500 0.000 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.743 ppm2 2.480 CV 1 OR { 2428} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG2 )) ASSI { 2432} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.745 ppm2 1.593 CV 1 ASSI { 2433} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HB1 )) 6.000 4.500 0.000 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.743 ppm2 1.375 CV 1 ASSI { 2434} (( segid " " and resid 145 and name HN )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.744 ppm2 1.089 CV 1 ASSI { 2436} (( segid " " and resid 145 and name HN )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.745 ppm2 0.478 CV 1 ASSI { 2441} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 6.000 4.500 0.000 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.986 ppm2 7.286 CV 1 ASSI { 2442} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.983 ppm2 5.929 CV 1 ASSI { 2443} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 6.000 4.500 0.000 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.983 ppm2 3.583 CV 1 OR { 2443} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 2444} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 6.000 4.500 0.000 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.986 ppm2 3.354 CV 1 ASSI { 2445} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.984 ppm2 3.127 CV 1 ASSI { 2446} (( segid " " and resid 32 and name HN )) (( segid " " and resid 61 and name HG2 )) 6.000 4.500 0.000 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.984 ppm2 2.192 CV 1 ASSI { 2447} (( segid " " and resid 32 and name HN )) (( segid " " and resid 61 and name HB2 )) 6.000 4.500 0.000 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.982 ppm2 1.738 CV 1 ASSI { 2450} (( segid " " and resid 32 and name HN )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.982 ppm2 0.662 CV 1 ASSI { 2454} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 6.000 4.500 0.000 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.977 ppm2 4.902 CV 1 ASSI { 2456} (( segid " " and resid 32 and name HN )) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.976 ppm2 3.829 CV 1 ASSI { 2460} (( segid " " and resid 120 and name HD21)) (( segid " " and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.069 ppm2 3.000 CV 1 ASSI { 2465} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 6.000 4.500 0.000 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.488 ppm2 4.390 CV 1 ASSI { 2466} (( segid " " and resid 125 and name HN )) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.491 ppm2 4.085 CV 1 ASSI { 2467} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 6.000 4.500 0.000 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.486 ppm2 3.829 CV 1 ASSI { 2469} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HB2 )) 6.000 4.500 0.000 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.487 ppm2 3.005 CV 1 ASSI { 2470} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB2 )) 6.000 4.500 0.000 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.489 ppm2 2.126 CV 1 OR { 2470} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB1 )) ASSI { 2473} (( segid " " and resid 125 and name HN )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.488 ppm2 1.412 CV 1 ASSI { 2474} (( segid " " and resid 125 and name HN )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.484 ppm2 1.219 CV 1 ASSI { 2475} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.486 ppm2 0.939 CV 1 ASSI { 2477} (( segid " " and resid 125 and name HN )) ( segid " " and resid 128 and name HD2%) 6.000 4.500 0.000 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.488 ppm2 0.593 CV 1 OR { 2477} (( segid " " and resid 125 and name HN )) ( segid " " and resid 128 and name HD1%) ASSI { 2478} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.487 ppm2 0.456 CV 1 ASSI { 2479} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.485 ppm2 0.335 CV 1 ASSI { 2482} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB2 )) 6.000 4.500 0.000 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.481 ppm2 1.077 CV 1 ASSI { 2485} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HN )) 6.000 4.500 0.000 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.075 ppm2 8.314 CV 1 ASSI { 2490} (( segid " " and resid 119 and name HN )) (( segid " " and resid 121 and name HN )) 6.000 4.500 0.000 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.077 ppm2 7.034 CV 1 ASSI { 2491} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 6.000 4.500 0.000 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.074 ppm2 3.799 CV 1 ASSI { 2492} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.075 ppm2 3.295 CV 1 ASSI { 2493} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HG1 )) 6.000 4.500 0.000 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.075 ppm2 2.153 CV 1 ASSI { 2494} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.075 ppm2 1.943 CV 1 ASSI { 2496} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 6.000 4.500 0.000 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 1.646 CV 1 ASSI { 2497} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB1 )) 6.000 4.500 0.000 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.077 ppm2 1.474 CV 1 OR { 2497} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HE1 )) ASSI { 2498} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 1.270 CV 1 ASSI { 2502} (( segid " " and resid 119 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.074 ppm2 0.340 CV 1 ASSI { 2509} (( segid " " and resid 125 and name HN )) (( segid " " and resid 122 and name HA1 )) 6.000 4.500 0.000 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.473 ppm2 2.790 CV 1 ASSI { 2517} (( segid " " and resid 108 and name HN )) (( segid " " and resid 110 and name HN )) 6.000 4.500 0.000 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.002 ppm2 7.932 CV 1 ASSI { 2519} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.994 ppm2 5.507 CV 1 ASSI { 2520} (( segid " " and resid 108 and name HN )) (( segid " " and resid 112 and name HA )) 6.000 4.500 0.000 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.997 ppm2 5.214 CV 1 ASSI { 2521} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 6.000 4.500 0.000 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.999 ppm2 4.826 CV 1 ASSI { 2522} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB )) 6.000 4.500 0.000 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.999 ppm2 4.648 CV 1 ASSI { 2523} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB1 )) 6.000 4.500 0.000 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.996 ppm2 2.703 CV 1 ASSI { 2525} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.997 ppm2 1.202 CV 1 ASSI { 2527} (( segid " " and resid 108 and name HN )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.996 ppm2 0.922 CV 1 ASSI { 2529} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HD21)) 6.000 4.500 0.000 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.993 ppm2 7.789 CV 1 ASSI { 2536} (( segid " " and resid 108 and name HN )) (( segid " " and resid 106 and name HA )) 6.000 4.500 0.000 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.000 ppm2 4.299 CV 1 ASSI { 2547} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA )) 6.000 4.500 0.000 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.285 ppm2 4.544 CV 1 ASSI { 2548} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 6.000 4.500 0.000 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.284 ppm2 4.127 CV 1 ASSI { 2550} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HD2 )) 6.000 4.500 0.000 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.286 ppm2 3.415 CV 1 ASSI { 2551} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HD1 )) 6.000 4.500 0.000 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.287 ppm2 3.107 CV 1 ASSI { 2552} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HG2 )) 6.000 4.500 0.000 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.286 ppm2 2.306 CV 1 OR { 2552} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB2 )) ASSI { 2553} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HG1 )) 6.000 4.500 0.000 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.285 ppm2 2.108 CV 1 ASSI { 2555} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.286 ppm2 1.759 CV 1 ASSI { 2556} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 6.000 4.500 0.000 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.287 ppm2 1.488 CV 1 ASSI { 2557} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.286 ppm2 1.334 CV 1 ASSI { 2559} (( segid " " and resid 134 and name HN )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.285 ppm2 0.991 CV 1 ASSI { 2576} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.523 ppm2 2.906 CV 1 ASSI { 2578} (( segid " " and resid 128 and name HN )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.522 ppm2 1.593 CV 1 ASSI { 2579} (( segid " " and resid 128 and name HN )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.521 ppm2 1.451 CV 1 ASSI { 2580} (( segid " " and resid 128 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.522 ppm2 1.342 CV 1 ASSI { 2584} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 6.000 4.500 0.000 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.516 ppm2 4.445 CV 1 ASSI { 2586} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.515 ppm2 2.631 CV 1 ASSI { 2587} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.518 ppm2 1.985 CV 1 ASSI { 2588} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.519 ppm2 1.207 CV 1 ASSI { 2589} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HD1%) 6.000 4.500 0.000 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.515 ppm2 0.570 CV 1 OR { 2589} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HD2%) ASSI { 2590} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.519 ppm2 0.279 CV 1 ASSI { 2594} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.903 ppm2 3.647 CV 1 ASSI { 2595} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.906 ppm2 2.735 CV 1 ASSI { 2600} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 6.000 4.500 0.000 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.903 ppm2 7.281 CV 1 ASSI { 2601} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.900 ppm2 5.947 CV 1 ASSI { 2602} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 6.000 4.500 0.000 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.902 ppm2 4.316 CV 1 ASSI { 2604} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.902 ppm2 3.907 CV 1 ASSI { 2606} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG1 )) 6.000 4.500 0.000 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.902 ppm2 2.095 CV 1 ASSI { 2608} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 6.000 4.500 0.000 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.902 ppm2 1.889 CV 1 ASSI { 2610} (( segid " " and resid 30 and name HN )) ( segid " " and resid 64 and name HD2%) 6.000 4.500 0.000 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.900 ppm2 0.732 CV 1 OR { 2610} (( segid " " and resid 30 and name HN )) (( segid " " and resid 64 and name HG )) OR { 2610} (( segid " " and resid 30 and name HN )) ( segid " " and resid 64 and name HD1%) ASSI { 2616} (( segid " " and resid 102 and name HN )) (( segid " " and resid 1 and name HA )) 6.000 4.500 0.000 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.398 ppm2 3.611 CV 1 ASSI { 2618} (( segid " " and resid 128 and name HN )) (( segid " " and resid 126 and name HB2 )) 6.000 4.500 0.000 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.514 ppm2 2.995 CV 1 ASSI { 2627} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HA )) 6.000 4.500 0.000 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.287 ppm2 4.556 CV 1 ASSI { 2628} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HA )) 6.000 4.500 0.000 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.287 ppm2 4.291 CV 1 ASSI { 2629} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HA )) 6.000 4.500 0.000 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.284 ppm2 4.209 CV 1 ASSI { 2630} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.287 ppm2 3.406 CV 1 ASSI { 2633} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HB2 )) 6.000 4.500 0.000 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.281 ppm2 2.186 CV 1 OR { 2633} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HB1 )) ASSI { 2635} (( segid " " and resid 73 and name HN )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.288 ppm2 1.311 CV 1 ASSI { 2637} (( segid " " and resid 73 and name HN )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.288 ppm2 1.054 CV 1 ASSI { 2639} (( segid " " and resid 73 and name HN )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.287 ppm2 0.715 CV 1 ASSI { 2647} (( segid " " and resid 8 and name HN )) (( segid " " and resid 94 and name HA )) 6.000 4.500 0.000 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.787 ppm2 5.076 CV 1 ASSI { 2650} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA1 )) 6.000 4.500 0.000 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.782 ppm2 5.757 CV 1 ASSI { 2651} (( segid " " and resid 8 and name HN )) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.782 ppm2 5.456 CV 1 ASSI { 2652} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 6.000 4.500 0.000 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.782 ppm2 4.849 CV 1 ASSI { 2654} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.782 ppm2 3.749 CV 1 ASSI { 2656} (( segid " " and resid 8 and name HN )) (( segid " " and resid 95 and name HB1 )) 6.000 4.500 0.000 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.778 ppm2 2.496 CV 1 ASSI { 2660} (( segid " " and resid 8 and name HN )) ( segid " " and resid 96 and name HD2%) 6.000 4.500 0.000 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.780 ppm2 0.931 CV 1 OR { 2660} (( segid " " and resid 8 and name HN )) ( segid " " and resid 96 and name HD1%) ASSI { 2662} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.781 ppm2 0.672 CV 1 ASSI { 2669} (( segid " " and resid 102 and name HN )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.401 ppm2 7.013 CV 1 ASSI { 2671} (( segid " " and resid 102 and name HN )) (( segid " " and resid 3 and name HA )) 6.000 4.500 0.000 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.398 ppm2 4.962 CV 1 ASSI { 2673} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 6.000 4.500 0.000 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.399 ppm2 4.532 CV 1 ASSI { 2675} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA2 )) 6.000 4.500 0.000 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.398 ppm2 3.867 CV 1 OR { 2675} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA1 )) ASSI { 2676} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.398 ppm2 3.317 CV 1 ASSI { 2678} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.403 ppm2 2.171 CV 1 ASSI { 2680} (( segid " " and resid 102 and name HN )) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.397 ppm2 1.761 CV 1 ASSI { 2681} (( segid " " and resid 102 and name HN )) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.401 ppm2 1.216 CV 1 ASSI { 2683} (( segid " " and resid 102 and name HN )) ( segid " " and resid 98 and name HG2%) 6.000 4.500 0.000 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.400 ppm2 0.771 CV 1 ASSI { 2685} (( segid " " and resid 102 and name HN )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.399 ppm2 0.516 CV 1 ASSI { 2686} (( segid " " and resid 102 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.399 ppm2 0.134 CV 1 ASSI { 2688} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB1 )) 6.000 4.500 0.000 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.393 ppm2 2.327 CV 1 ASSI { 2697} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 6.000 4.500 0.000 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.285 ppm2 4.378 CV 1 ASSI { 2698} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB )) 6.000 4.500 0.000 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.290 ppm2 3.922 CV 1 ASSI { 2704} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 107 and name HD22)) 6.000 4.500 0.000 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.802 ppm2 6.795 CV 1 ASSI { 2707} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 106 and name HA )) 6.000 4.500 0.000 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.802 ppm2 4.302 CV 1 ASSI { 2708} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 107 and name HB1 )) 6.000 4.500 0.000 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.802 ppm2 2.687 CV 1 OR { 2708} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 107 and name HB2 )) ASSI { 2709} (( segid " " and resid 107 and name HD21)) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.803 ppm2 1.429 CV 1 ASSI { 2710} (( segid " " and resid 107 and name HD21)) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.801 ppm2 1.032 CV 1 OR { 2710} (( segid " " and resid 107 and name HD21)) ( segid " " and resid 105 and name HG2%) ASSI { 2711} (( segid " " and resid 107 and name HD21)) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.803 ppm2 0.895 CV 1 ASSI { 2713} (( segid " " and resid 156 and name HD21)) (( segid " " and resid 156 and name HD22)) 6.000 4.500 0.000 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.697 ppm2 7.075 CV 1 ASSI { 2714} (( segid " " and resid 156 and name HD21)) (( segid " " and resid 156 and name HA )) 6.000 4.500 0.000 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.698 ppm2 4.821 CV 1 ASSI { 2716} (( segid " " and resid 156 and name HD21)) (( segid " " and resid 155 and name HA )) 6.000 4.500 0.000 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.696 ppm2 4.494 CV 1 ASSI { 2717} (( segid " " and resid 156 and name HD21)) (( segid " " and resid 156 and name HB2 )) 6.000 4.500 0.000 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.697 ppm2 2.866 CV 1 ASSI { 2718} (( segid " " and resid 156 and name HD21)) (( segid " " and resid 156 and name HB1 )) 6.000 4.500 0.000 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.697 ppm2 2.760 CV 1 ASSI { 2726} (( segid " " and resid 156 and name HD22)) (( segid " " and resid 156 and name HB2 )) 6.000 4.500 0.000 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.076 ppm2 2.864 CV 1 ASSI { 2727} (( segid " " and resid 156 and name HD22)) (( segid " " and resid 156 and name HB1 )) 6.000 4.500 0.000 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.079 ppm2 2.758 CV 1 ASSI { 2732} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 106 and name HA )) 6.000 4.500 0.000 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.797 ppm2 4.278 CV 1 ASSI { 2733} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 107 and name HB1 )) 6.000 4.500 0.000 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.797 ppm2 2.690 CV 1 ASSI { 2734} (( segid " " and resid 107 and name HD22)) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.799 ppm2 1.428 CV 1 ASSI { 2736} (( segid " " and resid 107 and name HD22)) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.798 ppm2 1.035 CV 1 OR { 2736} (( segid " " and resid 107 and name HD22)) ( segid " " and resid 105 and name HG2%) ASSI { 2740} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HA )) 6.000 4.500 0.000 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 4.583 CV 1 ASSI { 2742} (( segid " " and resid 67 and name HN )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.723 ppm2 0.305 CV 1 ASSI { 2744} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HA )) 6.000 4.500 0.000 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.106 ppm2 4.679 CV 1 ASSI { 2750} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HN )) 6.000 4.500 0.000 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.723 ppm2 8.368 CV 1 ASSI { 2755} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HA )) 6.000 4.500 0.000 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 4.311 CV 1 ASSI { 2757} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HD1 )) 6.000 4.500 0.000 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 3.382 CV 1 ASSI { 2758} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HG1 )) 6.000 4.500 0.000 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.727 ppm2 2.396 CV 1 OR { 2758} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HG2 )) ASSI { 2760} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) 6.000 4.500 0.000 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.724 ppm2 2.148 CV 1 ASSI { 2761} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 6.000 4.500 0.000 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 1.838 CV 1 OR { 2761} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 2762} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 1.730 CV 1 ASSI { 2763} (( segid " " and resid 67 and name HN )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 1.436 CV 1 ASSI { 2764} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.724 ppm2 1.272 CV 1 ASSI { 2765} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.724 ppm2 0.773 CV 1 ASSI { 2766} (( segid " " and resid 67 and name HN )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.724 ppm2 0.624 CV 1 ASSI { 2767} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.724 ppm2 0.518 CV 1 ASSI { 2770} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HE22)) 6.000 4.500 0.000 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.942 ppm2 7.086 CV 1 ASSI { 2772} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HG1 )) 6.000 4.500 0.000 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.943 ppm2 2.305 CV 1 OR { 2772} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HG2 )) ASSI { 2773} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HB2 )) 6.000 4.500 0.000 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.947 ppm2 2.169 CV 1 OR { 2773} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HB1 )) ASSI { 2775} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 48 and name HE22)) 6.000 4.500 0.000 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.616 ppm2 6.883 CV 1 ASSI { 2778} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.614 ppm2 4.253 CV 1 ASSI { 2779} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 48 and name HG1 )) 6.000 4.500 0.000 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.616 ppm2 2.428 CV 1 OR { 2779} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 48 and name HG2 )) ASSI { 2780} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 48 and name HB1 )) 6.000 4.500 0.000 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.617 ppm2 2.247 CV 1 ASSI { 2781} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 48 and name HB2 )) 6.000 4.500 0.000 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.617 ppm2 1.987 CV 1 ASSI { 2783} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HG1 )) 6.000 4.500 0.000 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.102 ppm2 2.304 CV 1 OR { 2783} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HG2 )) ASSI { 2788} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.888 ppm2 4.246 CV 1 ASSI { 2790} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 91 and name HD2 )) 6.000 4.500 0.000 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.889 ppm2 3.614 CV 1 ASSI { 2791} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 48 and name HG1 )) 6.000 4.500 0.000 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.888 ppm2 2.429 CV 1 OR { 2791} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 48 and name HG2 )) ASSI { 2792} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 48 and name HB1 )) 6.000 4.500 0.000 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.891 ppm2 2.245 CV 1 ASSI { 2795} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 50 and name HB1 )) 6.000 4.500 0.000 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.882 ppm2 2.168 CV 1 OR { 2795} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 50 and name HB2 )) ASSI { 2809} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HD1 )) 6.000 4.500 0.000 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.939 ppm2 3.235 CV 1 OR { 2809} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HD2 )) ASSI { 2842} (( segid " " and resid 110 and name HN )) (( segid " " and resid 108 and name HB )) 6.000 4.500 0.000 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.934 ppm2 4.667 CV 1 ASSI { 2843} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 6.000 4.500 0.000 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.935 ppm2 4.224 CV 1 ASSI { 2844} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 6.000 4.500 0.000 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.934 ppm2 4.035 CV 1 ASSI { 2846} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB1 )) 6.000 4.500 0.000 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.935 ppm2 2.026 CV 1 OR { 2846} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB2 )) ASSI { 2847} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG1 )) 6.000 4.500 0.000 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.934 ppm2 1.771 CV 1 ASSI { 2848} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB1 )) 6.000 4.500 0.000 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.933 ppm2 1.625 CV 1 ASSI { 2849} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG2 )) 6.000 4.500 0.000 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.937 ppm2 1.461 CV 1 ASSI { 2850} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 6.000 4.500 0.000 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.934 ppm2 1.352 CV 1 ASSI { 2851} (( segid " " and resid 110 and name HN )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.935 ppm2 1.203 CV 1 ASSI { 2863} (( segid " " and resid 38 and name HN )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.456 ppm2 6.967 CV 1 ASSI { 2865} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 6.000 4.500 0.000 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.456 ppm2 5.060 CV 1 ASSI { 2867} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 6.000 4.500 0.000 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.456 ppm2 4.260 CV 1 ASSI { 2868} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 6.000 4.500 0.000 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.454 ppm2 4.057 CV 1 OR { 2868} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 2869} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) 6.000 4.500 0.000 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.453 ppm2 3.599 CV 1 ASSI { 2872} (( segid " " and resid 38 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.454 ppm2 1.332 CV 1 ASSI { 2874} (( segid " " and resid 38 and name HN )) (( segid " " and resid 56 and name HA )) 6.000 4.500 0.000 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.445 ppm2 4.967 CV 1 ASSI { 2883} (( segid " " and resid 100 and name HN )) (( segid " " and resid 102 and name HN )) 6.000 4.500 0.000 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.510 ppm2 8.364 CV 1 ASSI { 2886} (( segid " " and resid 100 and name HN )) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.510 ppm2 5.581 CV 1 ASSI { 2888} (( segid " " and resid 100 and name HN )) (( segid " " and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.513 ppm2 3.018 CV 1 ASSI { 2896} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 6.000 4.500 0.000 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.500 ppm2 4.539 CV 1 ASSI { 2897} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HA )) 6.000 4.500 0.000 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 4.190 CV 1 ASSI { 2899} (( segid " " and resid 100 and name HN )) (( segid " " and resid 4 and name HB2 )) 6.000 4.500 0.000 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 2.693 CV 1 OR { 2899} (( segid " " and resid 100 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 2900} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 6.000 4.500 0.000 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.505 ppm2 2.275 CV 1 OR { 2900} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB1 )) ASSI { 2901} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HG1 )) 6.000 4.500 0.000 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.505 ppm2 2.196 CV 1 ASSI { 2905} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG )) 6.000 4.500 0.000 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.501 ppm2 1.614 CV 1 ASSI { 2909} (( segid " " and resid 100 and name HN )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 0.839 CV 1 ASSI { 2910} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HD2%) 6.000 4.500 0.000 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.504 ppm2 0.670 CV 1 ASSI { 2914} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HD21)) 6.000 4.500 0.000 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.431 ppm2 7.183 CV 1 ASSI { 2915} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.427 ppm2 2.603 CV 1 ASSI { 2916} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 68 and name HG2 )) 6.000 4.500 0.000 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.429 ppm2 2.396 CV 1 OR { 2916} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 68 and name HG1 )) ASSI { 2919} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.191 ppm2 6.867 CV 1 ASSI { 2923} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HB2 )) 6.000 4.500 0.000 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.188 ppm2 3.060 CV 1 ASSI { 2924} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.188 ppm2 2.585 CV 1 ASSI { 2936} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HD2 )) 6.000 4.500 0.000 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.299 ppm2 7.006 CV 1 ASSI { 2938} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB )) 6.000 4.500 0.000 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.301 ppm2 4.198 CV 1 ASSI { 2946} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HG1 )) 6.000 4.500 0.000 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.297 ppm2 1.417 CV 1 ASSI { 2947} (( segid " " and resid 149 and name HN )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.301 ppm2 1.265 CV 1 ASSI { 2948} (( segid " " and resid 149 and name HN )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.297 ppm2 0.749 CV 1 ASSI { 2954} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB1 )) 6.000 4.500 0.000 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.504 ppm2 1.795 CV 1 ASSI { 2959} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HB2 )) 6.000 4.500 0.000 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.427 ppm2 3.053 CV 1 ASSI { 2960} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 67 and name HB1 )) 6.000 4.500 0.000 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.419 ppm2 1.820 CV 1 OR { 2960} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 67 and name HB2 )) ASSI { 2963} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 68 and name HG2 )) 6.000 4.500 0.000 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.181 ppm2 2.393 CV 1 OR { 2963} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 68 and name HG1 )) ASSI { 2967} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 145 and name HE22)) 6.000 4.500 0.000 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.592 ppm2 6.935 CV 1 ASSI { 2968} (( segid " " and resid 145 and name HE21)) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.593 ppm2 1.263 CV 1 ASSI { 2970} (( segid " " and resid 123 and name HN )) (( segid " " and resid 125 and name HN )) 6.000 4.500 0.000 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.047 ppm2 7.485 CV 1 ASSI { 2979} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 145 and name HB1 )) 6.000 4.500 0.000 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.940 ppm2 2.215 CV 1 ASSI { 2980} (( segid " " and resid 145 and name HE22)) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.937 ppm2 1.270 CV 1 ASSI { 2986} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 148 and name HB2 )) 6.000 4.500 0.000 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.591 ppm2 3.257 CV 1 ASSI { 2987} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 145 and name HG1 )) 6.000 4.500 0.000 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.594 ppm2 2.479 CV 1 OR { 2987} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 145 and name HG2 )) ASSI { 2988} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 145 and name HB2 )) 6.000 4.500 0.000 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.593 ppm2 2.318 CV 1 ASSI { 2992} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.581 ppm2 4.248 CV 1 ASSI { 2996} (( segid " " and resid 103 and name HD21)) (( segid " " and resid 138 and name HA )) 6.000 4.500 0.000 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.573 ppm2 4.480 CV 1 ASSI { 3001} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 6.000 4.500 0.000 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.046 ppm2 9.302 CV 1 ASSI { 3005} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 6.000 4.500 0.000 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.046 ppm2 4.338 CV 1 ASSI { 3006} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 3006 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.043 ppm2 4.090 CV 1 ASSI { 3007} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 6.000 4.500 0.000 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.046 ppm2 3.173 CV 1 ASSI { 3008} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB1 )) 6.000 4.500 0.000 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.043 ppm2 2.913 CV 1 ASSI { 3009} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HD2 )) 6.000 4.500 0.000 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.047 ppm2 2.593 CV 1 ASSI { 3012} (( segid " " and resid 123 and name HN )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.049 ppm2 1.246 CV 1 ASSI { 3015} (( segid " " and resid 123 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.046 ppm2 0.340 CV 1 ASSI { 3016} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HB1 )) 6.000 4.500 0.000 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.044 ppm2 -0.366 CV 1 ASSI { 3019} (( segid " " and resid 123 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.039 ppm2 0.467 CV 1 ASSI { 3020} (( segid " " and resid 103 and name HD22)) (( segid " " and resid 103 and name HA )) 6.000 4.500 0.000 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.991 ppm2 5.169 CV 1 ASSI { 3022} (( segid " " and resid 103 and name HD22)) (( segid " " and resid 103 and name HD21)) 6.000 4.500 0.000 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.984 ppm2 7.570 CV 1 ASSI { 3024} (( segid " " and resid 103 and name HD22)) (( segid " " and resid 138 and name HA )) 6.000 4.500 0.000 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.984 ppm2 4.482 CV 1 ASSI { 3027} (( segid " " and resid 103 and name HD22)) (( segid " " and resid 103 and name HB2 )) 6.000 4.500 0.000 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.985 ppm2 2.660 CV 1 ASSI { 3029} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 148 and name HB2 )) 6.000 4.500 0.000 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.941 ppm2 3.257 CV 1 ASSI { 3030} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 145 and name HG1 )) 6.000 4.500 0.000 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.939 ppm2 2.468 CV 1 OR { 3030} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 145 and name HG2 )) ASSI { 3031} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 145 and name HB2 )) 6.000 4.500 0.000 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.932 ppm2 2.316 CV 1 ASSI { 3035} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HA )) 6.000 4.500 0.000 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.500 ppm2 4.310 CV 1 ASSI { 3037} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB2 )) 6.000 4.500 0.000 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.498 ppm2 2.425 CV 1 ASSI { 3038} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG2 )) 6.000 4.500 0.000 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.499 ppm2 2.006 CV 1 OR { 3038} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG1 )) ASSI { 3039} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB1 )) 6.000 4.500 0.000 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.499 ppm2 1.849 CV 1 ASSI { 3044} (( segid " " and resid 139 and name HN )) ( segid " " and resid 136 and name HG1%) 6.000 4.500 0.000 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.495 ppm2 1.020 CV 1 ASSI { 3075} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HA2 )) 6.000 4.500 0.000 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.497 ppm2 4.380 CV 1 ASSI { 3076} (( segid " " and resid 139 and name HN )) (( segid " " and resid 114 and name HD1 )) 6.000 4.500 0.000 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.498 ppm2 4.139 CV 1 ASSI { 3078} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HA1 )) 6.000 4.500 0.000 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.497 ppm2 3.512 CV 1 ASSI { 3079} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.497 ppm2 3.243 CV 1 ASSI { 3083} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HN )) 6.000 4.500 0.000 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.496 ppm2 8.363 CV 1 ASSI { 3088} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HD2 )) 6.000 4.500 0.000 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.496 ppm2 4.021 CV 1 OR { 3088} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HD1 )) ASSI { 3089} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HB2 )) 6.000 4.500 0.000 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.496 ppm2 3.365 CV 1 ASSI { 3090} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.494 ppm2 3.027 CV 1 ASSI { 3091} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.494 ppm2 2.582 CV 1 ASSI { 3106} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HA )) 6.000 4.500 0.000 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.368 ppm2 4.808 CV 1 ASSI { 3111} (( segid " " and resid 35 and name HN )) (( segid " " and resid 58 and name HA )) 6.000 4.500 0.000 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.357 ppm2 4.923 CV 1 ASSI { 3112} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 6.000 4.500 0.000 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.361 ppm2 4.601 CV 1 ASSI { 3113} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 6.000 4.500 0.000 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.364 ppm2 4.510 CV 1 ASSI { 3115} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB )) 6.000 4.500 0.000 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.362 ppm2 4.101 CV 1 ASSI { 3117} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.361 ppm2 3.869 CV 1 ASSI { 3119} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) 6.000 4.500 0.000 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.362 ppm2 1.634 CV 1 ASSI { 3120} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.362 ppm2 1.526 CV 1 ASSI { 3124} (( segid " " and resid 35 and name HN )) ( segid " " and resid 58 and name HG1%) 6.000 4.500 0.000 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.363 ppm2 0.984 CV 1 OR { 3124} (( segid " " and resid 35 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 3127} (( segid " " and resid 35 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.362 ppm2 0.153 CV 1 ASSI { 3154} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 6.000 4.500 0.000 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.318 ppm2 4.433 CV 1 ASSI { 3155} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA2 )) 6.000 4.500 0.000 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.319 ppm2 4.266 CV 1 ASSI { 3156} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA1 )) 6.000 4.500 0.000 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.319 ppm2 3.865 CV 1 ASSI { 3157} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HD1 )) 6.000 4.500 0.000 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.319 ppm2 3.696 CV 1 OR { 3157} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HD2 )) ASSI { 3161} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HB2 )) 6.000 4.500 0.000 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.321 ppm2 2.170 CV 1 ASSI { 3163} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB1 )) 6.000 4.500 0.000 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.319 ppm2 1.579 CV 1 OR { 3163} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 3164} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD1%) 6.000 4.500 0.000 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.317 ppm2 0.867 CV 1 ASSI { 3172} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 6.000 4.500 0.000 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.503 ppm2 5.012 CV 1 ASSI { 3174} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.499 ppm2 3.022 CV 1 ASSI { 3175} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.507 ppm2 2.542 CV 1 ASSI { 3177} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) 6.000 4.500 0.000 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 1.646 CV 1 ASSI { 3178} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB1 )) 6.000 4.500 0.000 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 1.475 CV 1 ASSI { 3179} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HG2 )) 6.000 4.500 0.000 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 1.362 CV 1 ASSI { 3180} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 1.231 CV 1 ASSI { 3181} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HG1 )) 6.000 4.500 0.000 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.504 ppm2 1.068 CV 1 ASSI { 3182} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HB2 )) 6.000 4.500 0.000 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 0.960 CV 1 ASSI { 3184} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HG2 )) 6.000 4.500 0.000 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.505 ppm2 0.485 CV 1 ASSI { 3185} (( segid " " and resid 120 and name HN )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.498 ppm2 0.344 CV 1 ASSI { 3186} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HB1 )) 6.000 4.500 0.000 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.506 ppm2 -0.363 CV 1 ASSI { 3198} (( segid " " and resid 31 and name HN )) (( segid " " and resid 63 and name HN )) 6.000 4.500 0.000 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.283 ppm2 8.241 CV 1 ASSI { 3199} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.283 ppm2 5.918 CV 1 ASSI { 3200} (( segid " " and resid 31 and name HN )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.282 ppm2 5.495 CV 1 ASSI { 3201} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HA )) 6.000 4.500 0.000 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.283 ppm2 4.938 CV 1 ASSI { 3203} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) 6.000 4.500 0.000 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.281 ppm2 4.326 CV 1 ASSI { 3204} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.282 ppm2 3.906 CV 1 ASSI { 3205} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 6.000 4.500 0.000 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.282 ppm2 3.584 CV 1 OR { 3205} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) ASSI { 3206} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.283 ppm2 3.127 CV 1 ASSI { 3209} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG1 )) 6.000 4.500 0.000 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.282 ppm2 2.101 CV 1 ASSI { 3212} (( segid " " and resid 31 and name HN )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.281 ppm2 1.513 CV 1 ASSI { 3221} (( segid " " and resid 19 and name HD22)) (( segid " " and resid 19 and name HA )) 6.000 4.500 0.000 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.841 ppm2 4.561 CV 1 ASSI { 3223} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 17 and name HG2 )) 6.000 4.500 0.000 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.842 ppm2 2.318 CV 1 OR { 3223} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 17 and name HG1 )) ASSI { 3225} (( segid " " and resid 19 and name HD22)) ( segid " " and resid 22 and name HD1%) 6.000 4.500 0.000 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.837 ppm2 0.830 CV 1 ASSI { 3228} (( segid " " and resid 17 and name HE21)) (( segid " " and resid 17 and name HE22)) 6.000 4.500 0.000 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.772 ppm2 6.830 CV 1 ASSI { 3231} (( segid " " and resid 17 and name HE21)) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.773 ppm2 0.857 CV 1 ASSI { 3233} (( segid " " and resid 17 and name HE21)) (( segid " " and resid 17 and name HG2 )) 6.000 4.500 0.000 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.769 ppm2 2.323 CV 1 OR { 3233} (( segid " " and resid 17 and name HE21)) (( segid " " and resid 17 and name HG1 )) ASSI { 3239} (( segid " " and resid 120 and name HN )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.490 ppm2 3.284 CV 1 ASSI { 3264} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HD2 )) 6.000 4.500 0.000 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.365 ppm2 4.042 CV 1 OR { 3264} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HD1 )) ASSI { 3284} (( segid " " and resid 140 and name HN )) (( segid " " and resid 137 and name HN )) 6.000 4.500 0.000 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.363 ppm2 9.223 CV 1 ASSI { 3290} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA2 )) 6.000 4.500 0.000 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.366 ppm2 4.402 CV 1 ASSI { 3291} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA1 )) 6.000 4.500 0.000 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.365 ppm2 3.517 CV 1 ASSI { 3292} (( segid " " and resid 140 and name HN )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.367 ppm2 3.252 CV 1 ASSI { 3293} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.366 ppm2 3.042 CV 1 ASSI { 3294} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.367 ppm2 2.617 CV 1 ASSI { 3295} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HB2 )) 6.000 4.500 0.000 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.364 ppm2 2.403 CV 1 ASSI { 3298} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HB2 )) 6.000 4.500 0.000 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.367 ppm2 1.852 CV 1 ASSI { 3300} (( segid " " and resid 140 and name HN )) ( segid " " and resid 136 and name HG1%) 6.000 4.500 0.000 peak 3300 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.366 ppm2 1.017 CV 1 ASSI { 3315} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HN )) 6.000 4.500 0.000 peak 3315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 8.598 CV 1 ASSI { 3317} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 6.000 4.500 0.000 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.603 ppm2 4.595 CV 1 ASSI { 3318} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA1 )) 6.000 4.500 0.000 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 4.152 CV 1 OR { 3318} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA2 )) ASSI { 3319} (( segid " " and resid 81 and name HN )) (( segid " " and resid 77 and name HA )) 6.000 4.500 0.000 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.606 ppm2 3.680 CV 1 ASSI { 3320} (( segid " " and resid 81 and name HN )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 1.848 CV 1 ASSI { 3323} (( segid " " and resid 81 and name HN )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 3323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 0.743 CV 1 OR { 3323} (( segid " " and resid 81 and name HN )) ( segid " " and resid 94 and name HD1%) ASSI { 3326} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB1 )) 6.000 4.500 0.000 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 2.319 CV 1 OR { 3326} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB2 )) ASSI { 3327} (( segid " " and resid 81 and name HN )) (( segid " " and resid 94 and name HB2 )) 6.000 4.500 0.000 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.596 ppm2 1.693 CV 1 ASSI { 3329} (( segid " " and resid 131 and name HN )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.918 ppm2 2.002 CV 1 ASSI { 3332} (( segid " " and resid 131 and name HN )) (( segid " " and resid 37 and name HN )) 6.000 4.500 0.000 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.929 ppm2 9.226 CV 1 ASSI { 3338} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HA )) 6.000 4.500 0.000 peak 3338 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.917 ppm2 4.779 CV 1 ASSI { 3339} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 6.000 4.500 0.000 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.917 ppm2 4.479 CV 1 ASSI { 3341} (( segid " " and resid 131 and name HN )) (( segid " " and resid 133 and name HD1 )) 6.000 4.500 0.000 peak 3341 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.912 ppm2 3.104 CV 1 ASSI { 3342} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 3342 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.918 ppm2 2.612 CV 1 ASSI { 3343} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 3343 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.917 ppm2 2.290 CV 1 OR { 3343} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HG1 )) ASSI { 3344} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB )) 6.000 4.500 0.000 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.917 ppm2 2.133 CV 1 ASSI { 3345} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.915 ppm2 1.607 CV 1 ASSI { 3346} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.915 ppm2 1.487 CV 1 ASSI { 3347} (( segid " " and resid 131 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 3347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.917 ppm2 1.358 CV 1 ASSI { 3349} (( segid " " and resid 131 and name HN )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.915 ppm2 0.992 CV 1 ASSI { 3351} (( segid " " and resid 131 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 3351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.914 ppm2 0.280 CV 1 ASSI { 3353} (( segid " " and resid 131 and name HN )) (( segid " " and resid 133 and name HG1 )) 6.000 4.500 0.000 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.907 ppm2 1.817 CV 1 OR { 3353} (( segid " " and resid 131 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 3358} (( segid " " and resid 26 and name HN )) (( segid " " and resid 33 and name HN )) 6.000 4.500 0.000 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.588 ppm2 9.170 CV 1 ASSI { 3360} (( segid " " and resid 26 and name HN )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3360 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.582 ppm2 7.725 CV 1 ASSI { 3366} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.584 ppm2 4.176 CV 1 ASSI { 3367} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA1 )) 6.000 4.500 0.000 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.582 ppm2 3.885 CV 1 ASSI { 3369} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HB1 )) 6.000 4.500 0.000 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.582 ppm2 2.579 CV 1 ASSI { 3370} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.580 ppm2 2.126 CV 1 ASSI { 3371} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HG )) 6.000 4.500 0.000 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.581 ppm2 1.931 CV 1 ASSI { 3375} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 6.000 4.500 0.000 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.579 ppm2 1.235 CV 1 ASSI { 3380} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HB2 )) 6.000 4.500 0.000 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.584 ppm2 2.899 CV 1 ASSI { 1} (( segid " " and resid 108 and name HB )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.640 ppm2 1.201 CV 1 ASSI { 1} (( segid " " and resid 112 and name HB )) (( segid " " and resid 116 and name HN )) 6.000 4.500 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.351 ppm2 8.357 CV 1 ASSI { 2} (( segid " " and resid 112 and name HB )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.347 ppm2 1.433 CV 1 ASSI { 8} (( segid " " and resid 62 and name HB )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.805 ppm2 5.503 CV 1 ASSI { 9} (( segid " " and resid 62 and name HB )) (( segid " " and resid 64 and name HB1 )) 6.000 4.500 0.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.801 ppm2 1.479 CV 1 ASSI { 11} (( segid " " and resid 62 and name HB )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.804 ppm2 1.091 CV 1 ASSI { 12} (( segid " " and resid 62 and name HB )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.801 ppm2 0.947 CV 1 OR { 12} (( segid " " and resid 62 and name HB )) ( segid " " and resid 69 and name HD2%) ASSI { 13} (( segid " " and resid 62 and name HB )) ( segid " " and resid 64 and name HD1%) 6.000 4.500 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.809 ppm2 0.706 CV 1 OR { 13} (( segid " " and resid 62 and name HB )) ( segid " " and resid 64 and name HD2%) ASSI { 14} (( segid " " and resid 62 and name HB )) (( segid " " and resid 31 and name HB1 )) 6.000 4.500 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.796 ppm2 3.596 CV 1 OR { 14} (( segid " " and resid 62 and name HB )) (( segid " " and resid 31 and name HB2 )) ASSI { 16} (( segid " " and resid 42 and name HB )) (( segid " " and resid 43 and name HD2 )) 6.000 4.500 0.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.152 ppm2 3.831 CV 1 OR { 16} (( segid " " and resid 42 and name HB )) (( segid " " and resid 43 and name HD1 )) ASSI { 18} (( segid " " and resid 42 and name HB )) (( segid " " and resid 42 and name HN )) 6.000 4.500 0.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.145 ppm2 9.605 CV 1 ASSI { 23} (( segid " " and resid 35 and name HB )) (( segid " " and resid 35 and name HA )) 6.000 4.500 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.104 ppm2 4.593 CV 1 ASSI { 24} (( segid " " and resid 35 and name HB )) (( segid " " and resid 131 and name HA )) 6.000 4.500 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.103 ppm2 4.472 CV 1 ASSI { 26} (( segid " " and resid 35 and name HB )) (( segid " " and resid 131 and name HB )) 6.000 4.500 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.101 ppm2 2.124 CV 1 ASSI { 28} (( segid " " and resid 35 and name HB )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.100 ppm2 1.511 CV 1 ASSI { 30} (( segid " " and resid 35 and name HB )) ( segid " " and resid 35 and name HG2%) 6.000 4.500 0.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.102 ppm2 1.236 CV 1 ASSI { 37} (( segid " " and resid 149 and name HB )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.184 ppm2 1.259 CV 1 ASSI { 40} (( segid " " and resid 93 and name HB )) ( segid " " and resid 93 and name HG2%) 6.000 4.500 0.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.389 ppm2 1.164 CV 1 ASSI { 41} (( segid " " and resid 149 and name HB )) (( segid " " and resid 146 and name HA )) 6.000 4.500 0.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.192 ppm2 3.640 CV 1 ASSI { 44} (( segid " " and resid 149 and name HB )) (( segid " " and resid 151 and name HN )) 6.000 4.500 0.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.183 ppm2 7.560 CV 1 ASSI { 45} (( segid " " and resid 1 and name HB )) (( segid " " and resid 62 and name HN )) 6.000 4.500 0.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.531 ppm2 9.200 CV 1 ASSI { 46} (( segid " " and resid 1 and name HB )) (( segid " " and resid 2 and name HN )) 6.000 4.500 0.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.527 ppm2 8.749 CV 1 ASSI { 48} (( segid " " and resid 1 and name HB )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.525 ppm2 0.512 CV 1 ASSI { 49} (( segid " " and resid 1 and name HB )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.523 ppm2 1.088 CV 1 ASSI { 52} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.577 ppm2 5.917 CV 1 OR { 52} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HA )) ASSI { 53} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.575 ppm2 1.526 CV 1 OR { 53} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 28 and name HB )) ASSI { 54} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.572 ppm2 1.266 CV 1 OR { 54} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 60 and name HG )) ASSI { 55} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.575 ppm2 0.669 CV 1 OR { 55} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 60 and name HD2%) ASSI { 61} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB )) 6.000 4.500 0.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.324 ppm2 1.580 CV 1 ASSI { 62} (( segid " " and resid 18 and name HA )) ( segid " " and resid 21 and name HB% ) 6.000 4.500 0.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.325 ppm2 1.435 CV 1 ASSI { 63} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.323 ppm2 0.648 CV 1 ASSI { 64} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.326 ppm2 0.287 CV 1 ASSI { 69} (( segid " " and resid 73 and name HB )) (( segid " " and resid 76 and name HN )) 6.000 4.500 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.914 ppm2 8.083 CV 1 ASSI { 70} (( segid " " and resid 73 and name HB )) (( segid " " and resid 73 and name HA )) 6.000 4.500 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.908 ppm2 4.243 CV 1 ASSI { 71} (( segid " " and resid 73 and name HB )) (( segid " " and resid 96 and name HB2 )) 6.000 4.500 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.912 ppm2 2.070 CV 1 ASSI { 72} (( segid " " and resid 73 and name HB )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.912 ppm2 1.043 CV 1 ASSI { 75} (( segid " " and resid 18 and name HA )) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.325 ppm2 0.788 CV 1 ASSI { 76} (( segid " " and resid 18 and name HA )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.321 ppm2 0.168 CV 1 ASSI { 78} (( segid " " and resid 73 and name HA )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.240 ppm2 1.042 CV 1 ASSI { 79} (( segid " " and resid 73 and name HA )) ( segid " " and resid 96 and name HD1%) 6.000 4.500 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.237 ppm2 0.948 CV 1 OR { 79} (( segid " " and resid 73 and name HA )) (( segid " " and resid 96 and name HB1 )) ASSI { 82} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.344 ppm2 8.729 CV 1 ASSI { 85} (( segid " " and resid 66 and name HA )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.347 ppm2 7.024 CV 1 ASSI { 86} (( segid " " and resid 66 and name HA )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.342 ppm2 2.194 CV 1 ASSI { 88} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.343 ppm2 1.258 CV 1 ASSI { 90} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.344 ppm2 0.520 CV 1 ASSI { 96} (( segid " " and resid 66 and name HA )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.338 ppm2 1.413 CV 1 ASSI { 97} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.340 ppm2 0.763 CV 1 ASSI { 100} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB2 )) 6.000 4.500 0.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.482 ppm2 2.396 CV 1 ASSI { 104} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.442 ppm2 2.609 CV 1 ASSI { 105} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.442 ppm2 1.447 CV 1 ASSI { 109} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.047 ppm2 6.964 CV 1 OR { 109} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 39 and name HD% ) ASSI { 111} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.043 ppm2 1.329 CV 1 OR { 111} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 57 and name HB% ) ASSI { 115} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.747 ppm2 0.864 CV 1 ASSI { 118} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.682 ppm2 0.645 CV 1 ASSI { 119} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HB1 )) 6.000 4.500 0.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.673 ppm2 3.164 CV 1 ASSI { 124} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 54 and name HB2 )) 6.000 4.500 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.174 ppm2 0.905 CV 1 ASSI { 127} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.171 ppm2 0.650 CV 1 ASSI { 132} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB1 )) 6.000 4.500 0.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.481 ppm2 1.831 CV 1 ASSI { 134} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB )) 6.000 4.500 0.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.759 ppm2 1.884 CV 1 ASSI { 137} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HG1 )) 6.000 4.500 0.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.748 ppm2 2.471 CV 1 ASSI { 138} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG12)) 6.000 4.500 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.752 ppm2 2.095 CV 1 OR { 138} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG11)) ASSI { 141} (( segid " " and resid 76 and name HA )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.751 ppm2 0.736 CV 1 ASSI { 142} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.743 ppm2 8.295 CV 1 ASSI { 144} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.644 ppm2 8.277 CV 1 ASSI { 146} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.636 ppm2 7.426 CV 1 ASSI { 147} (( segid " " and resid 146 and name HA )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.635 ppm2 2.282 CV 1 ASSI { 149} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HG12)) 6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 1.589 CV 1 ASSI { 150} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 0.965 CV 1 ASSI { 151} (( segid " " and resid 146 and name HA )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.636 ppm2 0.750 CV 1 ASSI { 156} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.635 ppm2 1.797 CV 1 ASSI { 157} (( segid " " and resid 146 and name HA )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.639 ppm2 1.269 CV 1 ASSI { 158} (( segid " " and resid 146 and name HA )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 0.476 CV 1 ASSI { 162} (( segid " " and resid 14 and name HA )) (( segid " " and resid 11 and name HB1 )) 6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.298 ppm2 1.271 CV 1 OR { 162} (( segid " " and resid 14 and name HA )) (( segid " " and resid 11 and name HB2 )) ASSI { 163} (( segid " " and resid 14 and name HA )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.300 ppm2 0.652 CV 1 ASSI { 168} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HD2 )) 6.000 4.500 0.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.138 ppm2 3.388 CV 1 ASSI { 169} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HD1 )) 6.000 4.500 0.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.137 ppm2 3.116 CV 1 ASSI { 170} (( segid " " and resid 133 and name HA )) (( segid " " and resid 144 and name HB1 )) 6.000 4.500 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.140 ppm2 1.777 CV 1 ASSI { 171} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB1 )) 6.000 4.500 0.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.140 ppm2 1.591 CV 1 ASSI { 172} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) 6.000 4.500 0.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.137 ppm2 1.495 CV 1 ASSI { 173} (( segid " " and resid 133 and name HA )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.139 ppm2 0.957 CV 1 ASSI { 174} (( segid " " and resid 133 and name HA )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.135 ppm2 7.210 CV 1 ASSI { 175} (( segid " " and resid 133 and name HA )) (( segid " " and resid 129 and name HA )) 6.000 4.500 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.135 ppm2 3.876 CV 1 ASSI { 178} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.031 ppm2 8.289 CV 1 ASSI { 179} (( segid " " and resid 149 and name HA )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.028 ppm2 7.845 CV 1 ASSI { 180} (( segid " " and resid 149 and name HA )) (( segid " " and resid 150 and name HG1 )) 6.000 4.500 0.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.028 ppm2 1.412 CV 1 ASSI { 189} (( segid " " and resid 149 and name HA )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.031 ppm2 1.258 CV 1 ASSI { 195} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HD2 )) 6.000 4.500 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.426 ppm2 3.681 CV 1 OR { 195} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HD1 )) ASSI { 196} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG1 )) 6.000 4.500 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.423 ppm2 2.021 CV 1 OR { 196} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG2 )) ASSI { 198} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 6.000 4.500 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.422 ppm2 2.310 CV 1 ASSI { 202} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 62 and name HA )) 6.000 4.500 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.068 ppm2 5.497 CV 1 OR { 202} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 62 and name HA )) ASSI { 203} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HA )) 6.000 4.500 0.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.039 ppm2 4.961 CV 1 OR { 203} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) ASSI { 204} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 30 and name HG1 )) 6.000 4.500 0.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.039 ppm2 2.112 CV 1 OR { 204} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 30 and name HG1 )) ASSI { 210} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.311 ppm2 3.906 CV 1 ASSI { 211} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) 6.000 4.500 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.309 ppm2 2.377 CV 1 ASSI { 212} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HG2 )) 6.000 4.500 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.311 ppm2 2.018 CV 1 OR { 212} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HG1 )) ASSI { 213} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB1 )) 6.000 4.500 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.308 ppm2 1.879 CV 1 ASSI { 220} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB )) 6.000 4.500 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.178 ppm2 2.092 CV 1 ASSI { 221} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HG12)) 6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.182 ppm2 1.870 CV 1 ASSI { 222} (( segid " " and resid 98 and name HA )) (( segid " " and resid 5 and name HG11)) 6.000 4.500 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.177 ppm2 1.075 CV 1 ASSI { 223} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HG11)) 6.000 4.500 0.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.178 ppm2 0.939 CV 1 ASSI { 230} (( segid " " and resid 112 and name HA )) (( segid " " and resid 107 and name HN )) 6.000 4.500 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.211 ppm2 9.199 CV 1 ASSI { 232} (( segid " " and resid 112 and name HA )) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.212 ppm2 1.848 CV 1 ASSI { 233} (( segid " " and resid 112 and name HA )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.211 ppm2 1.432 CV 1 ASSI { 236} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HN )) 6.000 4.500 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.203 ppm2 9.707 CV 1 ASSI { 238} (( segid " " and resid 2 and name HA )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.215 ppm2 1.064 CV 1 ASSI { 241} (( segid " " and resid 2 and name HA )) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.209 ppm2 1.209 CV 1 ASSI { 242} (( segid " " and resid 2 and name HA )) ( segid " " and resid 2 and name HG2%) 6.000 4.500 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.214 ppm2 0.769 CV 1 ASSI { 243} (( segid " " and resid 2 and name HA )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.212 ppm2 0.517 CV 1 ASSI { 244} (( segid " " and resid 2 and name HA )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.213 ppm2 0.123 CV 1 ASSI { 248} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB )) 6.000 4.500 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 1.763 CV 1 ASSI { 249} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG12)) 6.000 4.500 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 1.560 CV 1 OR { 249} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG11)) ASSI { 251} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB2 )) 6.000 4.500 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.574 ppm2 2.251 CV 1 ASSI { 255} (( segid " " and resid 51 and name HA )) (( segid " " and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.445 ppm2 2.189 CV 1 OR { 255} (( segid " " and resid 51 and name HA )) (( segid " " and resid 44 and name HB2 )) ASSI { 258} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB1 )) 6.000 4.500 0.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.433 ppm2 2.006 CV 1 ASSI { 260} (( segid " " and resid 44 and name HA )) (( segid " " and resid 46 and name HN )) 6.000 4.500 0.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.376 ppm2 8.326 CV 1 ASSI { 261} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HN )) 6.000 4.500 0.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.376 ppm2 8.188 CV 1 ASSI { 262} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.376 ppm2 2.159 CV 1 OR { 262} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB2 )) ASSI { 265} (( segid " " and resid 114 and name HA )) (( segid " " and resid 113 and name HA )) 6.000 4.500 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.429 ppm2 4.310 CV 1 ASSI { 266} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HD1 )) 6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.428 ppm2 4.168 CV 1 ASSI { 267} (( segid " " and resid 114 and name HA )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.426 ppm2 1.140 CV 1 ASSI { 269} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HD2 )) 6.000 4.500 0.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.421 ppm2 3.650 CV 1 ASSI { 270} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB2 )) 6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.425 ppm2 2.835 CV 1 ASSI { 271} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB1 )) 6.000 4.500 0.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.424 ppm2 2.061 CV 1 ASSI { 272} (( segid " " and resid 114 and name HA )) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.422 ppm2 1.861 CV 1 ASSI { 273} (( segid " " and resid 114 and name HA )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.424 ppm2 0.861 CV 1 ASSI { 274} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HG2 )) 6.000 4.500 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.411 ppm2 2.455 CV 1 ASSI { 276} (( segid " " and resid 93 and name HA )) ( segid " " and resid 93 and name HG2%) 6.000 4.500 0.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.416 ppm2 1.151 CV 1 ASSI { 279} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HG1 )) 6.000 4.500 0.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.373 ppm2 1.941 CV 1 ASSI { 280} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HB2 )) 6.000 4.500 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.376 ppm2 1.587 CV 1 OR { 280} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HB1 )) ASSI { 291} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB1 )) 6.000 4.500 0.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.866 ppm2 2.796 CV 1 ASSI { 292} (( segid " " and resid 158 and name HA )) (( segid " " and resid 41 and name HB2 )) 6.000 4.500 0.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.864 ppm2 1.675 CV 1 OR { 292} (( segid " " and resid 158 and name HA )) (( segid " " and resid 41 and name HB1 )) ASSI { 299} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HA )) 6.000 4.500 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.606 ppm2 4.278 CV 1 ASSI { 300} (( segid " " and resid 1 and name HA )) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.606 ppm2 1.740 CV 1 ASSI { 301} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 157 and name HG1 )) 6.000 4.500 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.605 ppm2 1.184 CV 1 ASSI { 302} (( segid " " and resid 1 and name HA )) ( segid " " and resid 2 and name HG2%) 6.000 4.500 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.603 ppm2 0.755 CV 1 ASSI { 303} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.605 ppm2 0.510 CV 1 ASSI { 307} (( segid " " and resid 105 and name HA )) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.661 ppm2 1.023 CV 1 OR { 307} (( segid " " and resid 105 and name HA )) ( segid " " and resid 105 and name HG1%) ASSI { 310} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB )) 6.000 4.500 0.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.304 ppm2 2.055 CV 1 ASSI { 311} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HG2%) 6.000 4.500 0.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.305 ppm2 0.962 CV 1 OR { 311} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HG1%) ASSI { 317} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB2 )) 6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.862 ppm2 3.118 CV 1 ASSI { 318} (( segid " " and resid 158 and name HA )) (( segid " " and resid 41 and name HG2 )) 6.000 4.500 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.858 ppm2 1.493 CV 1 ASSI { 319} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HN )) 6.000 4.500 0.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.749 ppm2 9.441 CV 1 ASSI { 320} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HA )) 6.000 4.500 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.756 ppm2 4.277 CV 1 ASSI { 322} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 157 and name HE2 )) 6.000 4.500 0.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.740 ppm2 2.912 CV 1 OR { 322} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 157 and name HE1 )) ASSI { 323} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 157 and name HG2 )) 6.000 4.500 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.609 ppm2 1.554 CV 1 ASSI { 325} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HB1 )) 6.000 4.500 0.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.596 ppm2 3.735 CV 1 ASSI { 327} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB )) 6.000 4.500 0.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.481 ppm2 2.138 CV 1 ASSI { 328} (( segid " " and resid 131 and name HA )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.479 ppm2 1.231 CV 1 ASSI { 330} (( segid " " and resid 72 and name HA )) (( segid " " and resid 74 and name HB2 )) 6.000 4.500 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.379 ppm2 2.195 CV 1 OR { 330} (( segid " " and resid 72 and name HA )) (( segid " " and resid 74 and name HB1 )) ASSI { 332} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.752 ppm2 1.542 CV 1 ASSI { 333} (( segid " " and resid 43 and name HA )) (( segid " " and resid 44 and name HD1 )) 6.000 4.500 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.103 ppm2 3.728 CV 1 ASSI { 334} (( segid " " and resid 43 and name HA )) (( segid " " and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.090 ppm2 3.942 CV 1 ASSI { 335} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.096 ppm2 2.491 CV 1 ASSI { 339} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HG2%) 6.000 4.500 0.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.594 ppm2 1.235 CV 1 ASSI { 345} (( segid " " and resid 136 and name HA )) ( segid " " and resid 136 and name HG1%) 6.000 4.500 0.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.497 ppm2 1.019 CV 1 OR { 345} (( segid " " and resid 136 and name HA )) ( segid " " and resid 136 and name HG2%) ASSI { 349} (( segid " " and resid 72 and name HA )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.409 ppm2 1.040 CV 1 ASSI { 351} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 6.000 4.500 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.384 ppm2 7.710 CV 1 ASSI { 352} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.390 ppm2 3.421 CV 1 ASSI { 353} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 6.000 4.500 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.388 ppm2 2.939 CV 1 ASSI { 354} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.388 ppm2 2.274 CV 1 ASSI { 355} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.391 ppm2 1.896 CV 1 ASSI { 359} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.755 ppm2 2.735 CV 1 ASSI { 360} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG12)) 6.000 4.500 0.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.751 ppm2 2.034 CV 1 OR { 360} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG11)) ASSI { 362} (( segid " " and resid 28 and name HA )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.752 ppm2 0.599 CV 1 ASSI { 363} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB )) 6.000 4.500 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.495 ppm2 1.931 CV 1 ASSI { 364} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.293 ppm2 1.409 CV 1 ASSI { 365} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HG12)) 6.000 4.500 0.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.296 ppm2 1.041 CV 1 OR { 365} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HG11)) ASSI { 366} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.290 ppm2 0.913 CV 1 ASSI { 369} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HG1 )) 6.000 4.500 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.685 ppm2 2.042 CV 1 ASSI { 370} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.686 ppm2 1.860 CV 1 ASSI { 371} (( segid " " and resid 77 and name HA )) (( segid " " and resid 94 and name HB1 )) 6.000 4.500 0.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.687 ppm2 1.403 CV 1 ASSI { 373} (( segid " " and resid 77 and name HA )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.684 ppm2 0.733 CV 1 ASSI { 376} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HG2 )) 6.000 4.500 0.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.680 ppm2 2.837 CV 1 ASSI { 377} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) 6.000 4.500 0.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.680 ppm2 2.591 CV 1 ASSI { 378} (( segid " " and resid 77 and name HA )) (( segid " " and resid 94 and name HB2 )) 6.000 4.500 0.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.677 ppm2 1.720 CV 1 ASSI { 380} (( segid " " and resid 62 and name HA )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.506 ppm2 0.722 CV 1 OR { 380} (( segid " " and resid 62 and name HA )) ( segid " " and resid 64 and name HD1%) ASSI { 381} (( segid " " and resid 62 and name HA )) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.497 ppm2 8.972 CV 1 ASSI { 384} (( segid " " and resid 62 and name HA )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.502 ppm2 5.909 CV 1 ASSI { 386} (( segid " " and resid 62 and name HA )) (( segid " " and resid 31 and name HB1 )) 6.000 4.500 0.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.499 ppm2 3.579 CV 1 OR { 386} (( segid " " and resid 62 and name HA )) (( segid " " and resid 31 and name HB2 )) ASSI { 388} (( segid " " and resid 62 and name HA )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.500 ppm2 1.075 CV 1 ASSI { 390} (( segid " " and resid 106 and name HA )) (( segid " " and resid 107 and name HB2 )) 6.000 4.500 0.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.298 ppm2 2.676 CV 1 OR { 390} (( segid " " and resid 106 and name HA )) (( segid " " and resid 107 and name HB1 )) ASSI { 391} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HN )) 6.000 4.500 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.291 ppm2 9.411 CV 1 ASSI { 393} (( segid " " and resid 106 and name HA )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.289 ppm2 1.180 CV 1 ASSI { 394} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.292 ppm2 0.618 CV 1 ASSI { 398} (( segid " " and resid 116 and name HA )) ( segid " " and resid 116 and name HD% ) 6.000 4.500 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.167 ppm2 6.675 CV 1 ASSI { 399} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB2 )) 6.000 4.500 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.163 ppm2 3.061 CV 1 ASSI { 400} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB1 )) 6.000 4.500 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.165 ppm2 2.931 CV 1 ASSI { 401} (( segid " " and resid 116 and name HA )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.165 ppm2 1.438 CV 1 ASSI { 404} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB2 )) 6.000 4.500 0.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.866 ppm2 3.160 CV 1 ASSI { 405} (( segid " " and resid 129 and name HA )) (( segid " " and resid 132 and name HN )) 6.000 4.500 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.858 ppm2 8.313 CV 1 ASSI { 406} (( segid " " and resid 129 and name HA )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.862 ppm2 7.198 CV 1 ASSI { 407} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.860 ppm2 2.897 CV 1 ASSI { 408} (( segid " " and resid 129 and name HA )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.861 ppm2 0.954 CV 1 ASSI { 411} (( segid " " and resid 118 and name HA )) (( segid " " and resid 121 and name HD1 )) 6.000 4.500 0.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.828 ppm2 2.428 CV 1 ASSI { 413} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.831 ppm2 1.958 CV 1 ASSI { 421} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.283 ppm2 3.310 CV 1 ASSI { 422} (( segid " " and resid 16 and name HA )) (( segid " " and resid 15 and name HG )) 6.000 4.500 0.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.077 ppm2 0.944 CV 1 ASSI { 423} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.065 ppm2 8.509 CV 1 ASSI { 427} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.064 ppm2 7.389 CV 1 ASSI { 429} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HB2 )) 6.000 4.500 0.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.067 ppm2 2.880 CV 1 ASSI { 430} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HB1 )) 6.000 4.500 0.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.065 ppm2 2.684 CV 1 ASSI { 431} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG2 )) 6.000 4.500 0.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.063 ppm2 2.319 CV 1 ASSI { 433} (( segid " " and resid 129 and name HA )) ( segid " " and resid 147 and name HD1%) 6.000 4.500 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.877 ppm2 -0.472 CV 1 ASSI { 439} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.125 ppm2 2.285 CV 1 ASSI { 442} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB2 )) 6.000 4.500 0.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.121 ppm2 1.858 CV 1 ASSI { 443} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HG2 )) 6.000 4.500 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.121 ppm2 1.667 CV 1 ASSI { 446} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HG2 )) 6.000 4.500 0.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.022 ppm2 2.291 CV 1 ASSI { 449} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) 6.000 4.500 0.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.016 ppm2 2.019 CV 1 OR { 449} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB1 )) ASSI { 453} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.633 ppm2 8.718 CV 1 ASSI { 457} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) 6.000 4.500 0.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 2.137 CV 1 ASSI { 458} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 1.832 CV 1 OR { 458} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) ASSI { 461} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.633 ppm2 0.990 CV 1 ASSI { 463} (( segid " " and resid 67 and name HA )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.632 ppm2 0.446 CV 1 ASSI { 464} (( segid " " and resid 67 and name HA )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 0.314 CV 1 ASSI { 465} (( segid " " and resid 67 and name HA )) (( segid " " and resid 110 and name HB1 )) 6.000 4.500 0.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.626 ppm2 1.602 CV 1 ASSI { 468} (( segid " " and resid 144 and name HA )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.516 ppm2 7.232 CV 1 ASSI { 470} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB1 )) 6.000 4.500 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.513 ppm2 1.791 CV 1 ASSI { 471} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.517 ppm2 1.082 CV 1 ASSI { 472} (( segid " " and resid 144 and name HA )) ( segid " " and resid 147 and name HD1%) 6.000 4.500 0.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.511 ppm2 -0.481 CV 1 ASSI { 478} (( segid " " and resid 113 and name HA )) (( segid " " and resid 114 and name HB2 )) 6.000 4.500 0.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.307 ppm2 2.837 CV 1 ASSI { 479} (( segid " " and resid 113 and name HA )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.309 ppm2 1.141 CV 1 ASSI { 480} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HN )) 6.000 4.500 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.304 ppm2 9.362 CV 1 ASSI { 498} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.974 ppm2 7.892 CV 1 ASSI { 499} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.972 ppm2 7.749 CV 1 ASSI { 500} (( segid " " and resid 23 and name HA )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.978 ppm2 7.580 CV 1 ASSI { 501} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB2 )) 6.000 4.500 0.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.974 ppm2 1.944 CV 1 OR { 501} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB1 )) ASSI { 502} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HD2 )) 6.000 4.500 0.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.970 ppm2 1.677 CV 1 OR { 502} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HD1 )) ASSI { 503} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HG1 )) 6.000 4.500 0.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.971 ppm2 1.521 CV 1 ASSI { 509} (( segid " " and resid 119 and name HA )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.789 ppm2 0.736 CV 1 ASSI { 511} (( segid " " and resid 119 and name HA )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.789 ppm2 0.322 CV 1 ASSI { 512} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB2 )) 6.000 4.500 0.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.776 ppm2 1.661 CV 1 ASSI { 513} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB1 )) 6.000 4.500 0.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.783 ppm2 1.460 CV 1 ASSI { 514} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.781 ppm2 1.255 CV 1 ASSI { 526} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.558 ppm2 2.979 CV 1 ASSI { 527} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HG1 )) 6.000 4.500 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.298 ppm2 2.007 CV 1 OR { 527} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HG2 )) ASSI { 528} (( segid " " and resid 137 and name HA )) ( segid " " and resid 136 and name HG1%) 6.000 4.500 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.295 ppm2 1.039 CV 1 OR { 528} (( segid " " and resid 137 and name HA )) ( segid " " and resid 136 and name HG2%) ASSI { 536} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HN )) 6.000 4.500 0.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.080 ppm2 8.432 CV 1 ASSI { 538} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HB1 )) 6.000 4.500 0.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.082 ppm2 1.326 CV 1 ASSI { 539} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.082 ppm2 0.943 CV 1 ASSI { 540} (( segid " " and resid 143 and name HA )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.081 ppm2 0.470 CV 1 ASSI { 544} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HN )) 6.000 4.500 0.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.876 ppm2 7.603 CV 1 ASSI { 545} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HG2 )) 6.000 4.500 0.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.879 ppm2 2.553 CV 1 ASSI { 546} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HG1 )) 6.000 4.500 0.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.880 ppm2 2.284 CV 1 OR { 546} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB1 )) ASSI { 548} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HE2 )) 6.000 4.500 0.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.771 ppm2 2.273 CV 1 ASSI { 552} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.147 ppm2 7.132 CV 1 ASSI { 553} (( segid " " and resid 148 and name HA )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.443 ppm2 8.285 CV 1 ASSI { 556} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB1 )) 6.000 4.500 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.442 ppm2 3.209 CV 1 ASSI { 558} (( segid " " and resid 137 and name HA )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.294 ppm2 0.080 CV 1 ASSI { 560} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.291 ppm2 3.243 CV 1 ASSI { 562} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.170 ppm2 3.396 CV 1 ASSI { 563} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.171 ppm2 1.298 CV 1 ASSI { 564} (( segid " " and resid 69 and name HA )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 0.933 CV 1 ASSI { 565} (( segid " " and resid 69 and name HA )) ( segid " " and resid 64 and name HD1%) 6.000 4.500 0.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.165 ppm2 0.711 CV 1 ASSI { 566} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.160 ppm2 8.158 CV 1 ASSI { 576} (( segid " " and resid 130 and name HA )) (( segid " " and resid 131 and name HN )) 6.000 4.500 0.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.871 ppm2 6.909 CV 1 ASSI { 579} (( segid " " and resid 124 and name HA )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.407 ppm2 1.397 CV 1 ASSI { 580} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HG2 )) 6.000 4.500 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.391 ppm2 2.127 CV 1 OR { 580} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB1 )) OR { 580} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB2 )) OR { 580} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HG1 )) ASSI { 588} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG1 )) 6.000 4.500 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.164 ppm2 2.463 CV 1 ASSI { 589} (( segid " " and resid 69 and name HA )) (( segid " " and resid 68 and name HB2 )) 6.000 4.500 0.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.165 ppm2 2.152 CV 1 ASSI { 592} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG2 )) 6.000 4.500 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.157 ppm2 2.612 CV 1 ASSI { 593} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HG )) 6.000 4.500 0.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.959 ppm2 1.847 CV 1 ASSI { 595} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) 6.000 4.500 0.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.951 ppm2 8.557 CV 1 ASSI { 596} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.954 ppm2 2.100 CV 1 ASSI { 597} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) 6.000 4.500 0.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.949 ppm2 1.450 CV 1 ASSI { 598} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HB1 )) 6.000 4.500 0.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.951 ppm2 1.227 CV 1 ASSI { 599} (( segid " " and resid 22 and name HA )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.951 ppm2 1.091 CV 1 ASSI { 600} (( segid " " and resid 101 and name HA )) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.533 ppm2 1.209 CV 1 ASSI { 601} (( segid " " and resid 68 and name HA )) (( segid " " and resid 70 and name HN )) 6.000 4.500 0.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.328 ppm2 7.837 CV 1 ASSI { 602} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HD22)) 6.000 4.500 0.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.319 ppm2 7.429 CV 1 ASSI { 604} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HB2 )) 6.000 4.500 0.000 peak 604 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.324 ppm2 3.056 CV 1 ASSI { 605} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.326 ppm2 2.582 CV 1 ASSI { 606} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.315 ppm2 7.684 CV 1 ASSI { 607} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HD21)) 6.000 4.500 0.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.318 ppm2 7.181 CV 1 ASSI { 608} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HG2 )) 6.000 4.500 0.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.318 ppm2 2.389 CV 1 OR { 608} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HG1 )) ASSI { 609} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB1 )) 6.000 4.500 0.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.310 ppm2 2.250 CV 1 ASSI { 610} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB2 )) 6.000 4.500 0.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.316 ppm2 2.169 CV 1 ASSI { 616} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HN )) 6.000 4.500 0.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.947 ppm2 8.991 CV 1 ASSI { 619} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.530 ppm2 3.322 CV 1 ASSI { 624} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB1 )) 6.000 4.500 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.331 ppm2 2.912 CV 1 ASSI { 625} (( segid " " and resid 123 and name HA )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.329 ppm2 1.233 CV 1 ASSI { 626} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.284 ppm2 2.262 CV 1 ASSI { 629} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HD2%) 6.000 4.500 0.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.057 ppm2 0.792 CV 1 ASSI { 631} (( segid " " and resid 25 and name HA )) (( segid " " and resid 28 and name HN )) 6.000 4.500 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 7.123 CV 1 ASSI { 634} (( segid " " and resid 135 and name HA )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.831 ppm2 8.271 CV 1 ASSI { 637} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.830 ppm2 1.742 CV 1 ASSI { 638} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HG )) 6.000 4.500 0.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.835 ppm2 1.209 CV 1 ASSI { 640} (( segid " " and resid 135 and name HA )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.829 ppm2 0.082 CV 1 ASSI { 644} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.672 ppm2 1.073 CV 1 ASSI { 645} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HG )) 6.000 4.500 0.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.673 ppm2 0.868 CV 1 ASSI { 646} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB1 )) 6.000 4.500 0.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.675 ppm2 0.695 CV 1 ASSI { 647} (( segid " " and resid 147 and name HA )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.673 ppm2 -0.563 CV 1 ASSI { 650} (( segid " " and resid 31 and name HA )) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.941 ppm2 3.811 CV 1 ASSI { 652} (( segid " " and resid 31 and name HA )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.940 ppm2 1.520 CV 1 ASSI { 653} (( segid " " and resid 31 and name HA )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.942 ppm2 1.079 CV 1 ASSI { 658} (( segid " " and resid 31 and name HA )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.929 ppm2 1.268 CV 1 ASSI { 664} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB1 )) 6.000 4.500 0.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.281 ppm2 1.752 CV 1 ASSI { 668} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.272 ppm2 2.800 CV 1 ASSI { 669} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.273 ppm2 2.035 CV 1 ASSI { 670} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB2 )) 6.000 4.500 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.274 ppm2 1.848 CV 1 ASSI { 672} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.246 ppm2 2.154 CV 1 ASSI { 675} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.201 ppm2 0.914 CV 1 ASSI { 680} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB1 )) 6.000 4.500 0.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.062 ppm2 1.540 CV 1 ASSI { 681} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.055 ppm2 7.596 CV 1 ASSI { 682} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB2 )) 6.000 4.500 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.054 ppm2 1.849 CV 1 ASSI { 687} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.817 ppm2 1.966 CV 1 ASSI { 688} (( segid " " and resid 128 and name HA )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.818 ppm2 1.480 CV 1 ASSI { 689} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.815 ppm2 0.942 CV 1 ASSI { 690} (( segid " " and resid 125 and name HA )) ( segid " " and resid 128 and name HD2%) 6.000 4.500 0.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.816 ppm2 0.567 CV 1 OR { 690} (( segid " " and resid 125 and name HA )) ( segid " " and resid 128 and name HD1%) ASSI { 691} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.817 ppm2 0.447 CV 1 ASSI { 696} (( segid " " and resid 147 and name HA )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.665 ppm2 0.454 CV 1 ASSI { 698} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.610 ppm2 6.821 CV 1 ASSI { 701} (( segid " " and resid 4 and name HA )) (( segid " " and resid 58 and name HN )) 6.000 4.500 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.599 ppm2 9.137 CV 1 ASSI { 703} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB1 )) 6.000 4.500 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.603 ppm2 2.721 CV 1 OR { 703} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) ASSI { 704} (( segid " " and resid 4 and name HA )) (( segid " " and resid 100 and name HB2 )) 6.000 4.500 0.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.603 ppm2 2.004 CV 1 ASSI { 705} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.602 ppm2 1.745 CV 1 ASSI { 706} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HG12)) 6.000 4.500 0.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.600 ppm2 1.545 CV 1 ASSI { 713} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB1 )) 6.000 4.500 0.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.217 ppm2 1.627 CV 1 ASSI { 714} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG2 )) 6.000 4.500 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.216 ppm2 1.484 CV 1 ASSI { 715} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB2 )) 6.000 4.500 0.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.219 ppm2 1.355 CV 1 ASSI { 716} (( segid " " and resid 110 and name HA )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.218 ppm2 0.451 CV 1 ASSI { 725} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.806 ppm2 0.279 CV 1 ASSI { 728} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) 6.000 4.500 0.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.555 ppm2 2.870 CV 1 ASSI { 729} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB1 )) 6.000 4.500 0.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.564 ppm2 2.672 CV 1 ASSI { 730} (( segid " " and resid 19 and name HA )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.553 ppm2 2.077 CV 1 ASSI { 736} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HG1 )) 6.000 4.500 0.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.067 ppm2 2.194 CV 1 ASSI { 737} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB2 )) 6.000 4.500 0.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.069 ppm2 2.011 CV 1 ASSI { 739} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HG1 )) 6.000 4.500 0.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.905 ppm2 2.105 CV 1 ASSI { 740} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB1 )) 6.000 4.500 0.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.909 ppm2 2.019 CV 1 ASSI { 753} (( segid " " and resid 70 and name HA )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.549 ppm2 0.688 CV 1 ASSI { 755} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.466 ppm2 1.954 CV 1 ASSI { 756} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HG1 )) 6.000 4.500 0.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.464 ppm2 1.177 CV 1 ASSI { 758} (( segid " " and resid 157 and name HA )) (( segid " " and resid 40 and name HA )) 6.000 4.500 0.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.457 ppm2 5.156 CV 1 ASSI { 759} (( segid " " and resid 157 and name HA )) (( segid " " and resid 158 and name HB1 )) 6.000 4.500 0.000 peak 759 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.456 ppm2 2.818 CV 1 ASSI { 764} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.549 ppm2 1.839 CV 1 ASSI { 768} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) 6.000 4.500 0.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.491 ppm2 1.611 CV 1 ASSI { 769} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.491 ppm2 1.550 CV 1 ASSI { 773} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG2 )) 6.000 4.500 0.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.322 ppm2 1.232 CV 1 ASSI { 774} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HD22)) 6.000 4.500 0.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.301 ppm2 7.428 CV 1 ASSI { 775} (( segid " " and resid 71 and name HA )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.300 ppm2 1.010 CV 1 ASSI { 776} (( segid " " and resid 84 and name HA )) ( segid " " and resid 83 and name HG1%) 6.000 4.500 0.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.296 ppm2 0.949 CV 1 ASSI { 777} (( segid " " and resid 71 and name HA )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 777 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.297 ppm2 0.689 CV 1 ASSI { 778} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HN )) 6.000 4.500 0.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.287 ppm2 8.881 CV 1 ASSI { 779} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.287 ppm2 7.681 CV 1 ASSI { 780} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HD21)) 6.000 4.500 0.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.288 ppm2 7.192 CV 1 ASSI { 782} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 6.000 4.500 0.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.285 ppm2 3.034 CV 1 ASSI { 783} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.287 ppm2 2.587 CV 1 ASSI { 784} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.283 ppm2 1.903 CV 1 ASSI { 789} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HG1 )) 6.000 4.500 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.235 ppm2 2.403 CV 1 OR { 789} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HG2 )) ASSI { 790} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB1 )) 6.000 4.500 0.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.233 ppm2 2.238 CV 1 ASSI { 791} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB2 )) 6.000 4.500 0.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.235 ppm2 2.004 CV 1 ASSI { 797} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 6.000 4.500 0.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.324 ppm2 8.700 CV 1 ASSI { 803} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB2 )) 6.000 4.500 0.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.595 ppm2 2.293 CV 1 OR { 803} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB1 )) ASSI { 808} (( segid " " and resid 150 and name HA )) (( segid " " and resid 151 and name HN )) 6.000 4.500 0.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.022 ppm2 7.548 CV 1 ASSI { 809} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HD2 )) 6.000 4.500 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.022 ppm2 3.096 CV 1 ASSI { 810} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HD1 )) 6.000 4.500 0.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.025 ppm2 2.950 CV 1 ASSI { 811} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB2 )) 6.000 4.500 0.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.023 ppm2 1.257 CV 1 ASSI { 812} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.023 ppm2 0.900 CV 1 ASSI { 819} (( segid " " and resid 24 and name HA )) (( segid " " and resid 27 and name HB2 )) 6.000 4.500 0.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.182 ppm2 2.903 CV 1 ASSI { 820} (( segid " " and resid 24 and name HA )) (( segid " " and resid 27 and name HB1 )) 6.000 4.500 0.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.177 ppm2 2.576 CV 1 ASSI { 823} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HD2 )) 6.000 4.500 0.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.181 ppm2 1.668 CV 1 OR { 823} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HD1 )) ASSI { 830} (( segid " " and resid 21 and name HA )) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.961 ppm2 7.890 CV 1 ASSI { 831} (( segid " " and resid 21 and name HA )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.960 ppm2 7.766 CV 1 ASSI { 832} (( segid " " and resid 21 and name HA )) (( segid " " and resid 80 and name HB2 )) 6.000 4.500 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.959 ppm2 2.295 CV 1 OR { 832} (( segid " " and resid 21 and name HA )) (( segid " " and resid 80 and name HB1 )) ASSI { 834} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HB% ) 6.000 4.500 0.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.962 ppm2 1.462 CV 1 ASSI { 835} (( segid " " and resid 21 and name HA )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.960 ppm2 0.855 CV 1 ASSI { 836} (( segid " " and resid 21 and name HA )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.961 ppm2 0.740 CV 1 OR { 836} (( segid " " and resid 21 and name HA )) ( segid " " and resid 94 and name HD1%) ASSI { 841} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 6.000 4.500 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.756 ppm2 1.687 CV 1 OR { 841} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB1 )) ASSI { 842} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HN )) 6.000 4.500 0.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.748 ppm2 9.591 CV 1 ASSI { 847} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) 6.000 4.500 0.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.365 ppm2 0.945 CV 1 ASSI { 851} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.354 ppm2 0.601 CV 1 ASSI { 852} (( segid " " and resid 54 and name HA )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.353 ppm2 0.174 CV 1 ASSI { 853} (( segid " " and resid 54 and name HA )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.357 ppm2 -0.529 CV 1 ASSI { 855} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 6.000 4.500 0.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.707 ppm2 9.218 CV 1 ASSI { 857} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB2 )) 6.000 4.500 0.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.569 ppm2 2.739 CV 1 ASSI { 858} (( segid " " and resid 153 and name HA )) (( segid " " and resid 154 and name HB1 )) 6.000 4.500 0.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.572 ppm2 1.363 CV 1 OR { 858} (( segid " " and resid 153 and name HA )) (( segid " " and resid 154 and name HB2 )) ASSI { 859} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB1 )) 6.000 4.500 0.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.565 ppm2 2.588 CV 1 ASSI { 860} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HN )) 6.000 4.500 0.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.544 ppm2 8.730 CV 1 ASSI { 861} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB1 )) 6.000 4.500 0.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.542 ppm2 2.450 CV 1 ASSI { 864} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) 6.000 4.500 0.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.426 ppm2 8.192 CV 1 ASSI { 866} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HD2%) 6.000 4.500 0.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.431 ppm2 0.856 CV 1 ASSI { 872} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.216 ppm2 0.742 CV 1 ASSI { 880} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.227 ppm2 0.881 CV 1 ASSI { 883} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB2 )) 6.000 4.500 0.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.544 ppm2 2.301 CV 1 OR { 883} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HG2 )) ASSI { 884} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HG1 )) 6.000 4.500 0.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.543 ppm2 2.106 CV 1 ASSI { 885} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.541 ppm2 1.739 CV 1 ASSI { 888} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB1 )) 6.000 4.500 0.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.597 ppm2 2.631 CV 1 ASSI { 889} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB2 )) 6.000 4.500 0.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.597 ppm2 2.736 CV 1 ASSI { 890} (( segid " " and resid 155 and name HA )) (( segid " " and resid 41 and name HB1 )) 6.000 4.500 0.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.526 ppm2 1.670 CV 1 OR { 890} (( segid " " and resid 155 and name HA )) (( segid " " and resid 41 and name HB2 )) ASSI { 893} (( segid " " and resid 139 and name HA )) (( segid " " and resid 140 and name HN )) 6.000 4.500 0.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.492 ppm2 8.362 CV 1 ASSI { 894} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HN )) 6.000 4.500 0.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.496 ppm2 7.481 CV 1 ASSI { 895} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.495 ppm2 3.020 CV 1 ASSI { 896} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.492 ppm2 2.584 CV 1 ASSI { 900} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB2 )) 6.000 4.500 0.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.284 ppm2 0.957 CV 1 ASSI { 902} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB1 )) 6.000 4.500 0.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.274 ppm2 -0.386 CV 1 ASSI { 907} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HB% ) 6.000 4.500 0.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.026 ppm2 1.410 CV 1 ASSI { 911} (( segid " " and resid 111 and name HA )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.893 ppm2 0.335 CV 1 ASSI { 912} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.886 ppm2 1.320 CV 1 ASSI { 913} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.887 ppm2 0.897 CV 1 ASSI { 915} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB1 )) 6.000 4.500 0.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.376 ppm2 2.810 CV 1 ASSI { 916} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.372 ppm2 6.963 CV 1 ASSI { 917} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 917 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.367 ppm2 3.317 CV 1 ASSI { 918} (( segid " " and resid 39 and name HA )) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.368 ppm2 1.456 CV 1 ASSI { 922} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.512 ppm2 0.913 CV 1 ASSI { 924} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HG1 )) 6.000 4.500 0.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.277 ppm2 1.076 CV 1 ASSI { 928} (( segid " " and resid 55 and name HA )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 928 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.131 ppm2 3.753 CV 1 ASSI { 930} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 6.000 4.500 0.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.126 ppm2 3.156 CV 1 ASSI { 931} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 6.000 4.500 0.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.125 ppm2 2.412 CV 1 ASSI { 933} (( segid " " and resid 55 and name HA )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.128 ppm2 0.654 CV 1 ASSI { 937} (( segid " " and resid 107 and name HA )) (( segid " " and resid 106 and name HA )) 6.000 4.500 0.000 peak 937 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.506 ppm2 4.296 CV 1 ASSI { 941} (( segid " " and resid 107 and name HA )) (( segid " " and resid 112 and name HA )) 6.000 4.500 0.000 peak 941 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.498 ppm2 5.215 CV 1 ASSI { 942} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB1 )) 6.000 4.500 0.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.499 ppm2 2.698 CV 1 ASSI { 943} (( segid " " and resid 107 and name HA )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 943 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.499 ppm2 1.433 CV 1 ASSI { 944} (( segid " " and resid 107 and name HA )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.493 ppm2 1.197 CV 1 ASSI { 946} (( segid " " and resid 96 and name HA )) ( segid " " and resid 96 and name HD2%) 6.000 4.500 0.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.449 ppm2 0.933 CV 1 OR { 946} (( segid " " and resid 96 and name HA )) ( segid " " and resid 96 and name HD1%) ASSI { 947} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB2 )) 6.000 4.500 0.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.436 ppm2 2.069 CV 1 ASSI { 950} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HN )) 6.000 4.500 0.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.531 ppm2 8.835 CV 1 ASSI { 953} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB1 )) 6.000 4.500 0.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.526 ppm2 2.340 CV 1 ASSI { 954} (( segid " " and resid 151 and name HA )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.111 ppm2 7.840 CV 1 ASSI { 957} (( segid " " and resid 151 and name HA )) ( segid " " and resid 151 and name HB% ) 6.000 4.500 0.000 peak 957 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.095 ppm2 1.200 CV 1 ASSI { 959} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB2 )) 6.000 4.500 0.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.527 ppm2 2.520 CV 1 ASSI { 960} (( segid " " and resid 97 and name HA )) (( segid " " and resid 98 and name HB )) 6.000 4.500 0.000 peak 960 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.523 ppm2 2.072 CV 1 ASSI { 961} (( segid " " and resid 97 and name HA )) (( segid " " and resid 98 and name HG12)) 6.000 4.500 0.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.525 ppm2 1.888 CV 1 ASSI { 966} (( segid " " and resid 103 and name HA )) (( segid " " and resid 138 and name HB2 )) 6.000 4.500 0.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.175 ppm2 2.410 CV 1 ASSI { 967} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB1 )) 6.000 4.500 0.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.164 ppm2 2.985 CV 1 ASSI { 968} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB2 )) 6.000 4.500 0.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.165 ppm2 2.652 CV 1 ASSI { 969} (( segid " " and resid 103 and name HA )) (( segid " " and resid 138 and name HG1 )) 6.000 4.500 0.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.161 ppm2 1.999 CV 1 OR { 969} (( segid " " and resid 103 and name HA )) (( segid " " and resid 138 and name HG2 )) ASSI { 970} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB1 )) 6.000 4.500 0.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.033 ppm2 0.850 CV 1 ASSI { 978} (( segid " " and resid 57 and name HA )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.658 ppm2 1.749 CV 1 ASSI { 979} (( segid " " and resid 57 and name HA )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.656 ppm2 1.335 CV 1 ASSI { 980} (( segid " " and resid 57 and name HA )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.659 ppm2 0.959 CV 1 OR { 980} (( segid " " and resid 57 and name HA )) ( segid " " and resid 58 and name HG1%) ASSI { 982} (( segid " " and resid 6 and name HA )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 982 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.054 ppm2 1.749 CV 1 ASSI { 985} (( segid " " and resid 114 and name HD1 )) (( segid " " and resid 114 and name HD2 )) 6.000 4.500 0.000 peak 985 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.174 ppm2 3.667 CV 1 ASSI { 987} (( segid " " and resid 114 and name HD1 )) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.175 ppm2 1.019 CV 1 OR { 987} (( segid " " and resid 114 and name HD1 )) ( segid " " and resid 105 and name HG1%) ASSI { 988} (( segid " " and resid 114 and name HD1 )) (( segid " " and resid 114 and name HG2 )) 6.000 4.500 0.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.156 ppm2 2.429 CV 1 ASSI { 989} (( segid " " and resid 43 and name HD2 )) (( segid " " and resid 42 and name HA )) 6.000 4.500 0.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.832 ppm2 4.976 CV 1 OR { 989} (( segid " " and resid 43 and name HD1 )) (( segid " " and resid 42 and name HA )) ASSI { 991} (( segid " " and resid 43 and name HD1 )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.833 ppm2 2.480 CV 1 OR { 991} (( segid " " and resid 43 and name HD2 )) (( segid " " and resid 43 and name HB2 )) ASSI { 992} (( segid " " and resid 43 and name HD1 )) (( segid " " and resid 43 and name HG1 )) 6.000 4.500 0.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.830 ppm2 2.075 CV 1 OR { 992} (( segid " " and resid 43 and name HD2 )) (( segid " " and resid 43 and name HG1 )) ASSI { 993} (( segid " " and resid 43 and name HD2 )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.829 ppm2 1.239 CV 1 OR { 993} (( segid " " and resid 43 and name HD1 )) ( segid " " and resid 42 and name HG2%) ASSI { 996} (( segid " " and resid 114 and name HD2 )) (( segid " " and resid 114 and name HG2 )) 6.000 4.500 0.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.660 ppm2 2.440 CV 1 ASSI { 997} (( segid " " and resid 114 and name HD2 )) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.662 ppm2 1.021 CV 1 OR { 997} (( segid " " and resid 114 and name HD2 )) ( segid " " and resid 105 and name HG1%) ASSI { 999} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.035 ppm2 3.269 CV 1 OR { 999} (( segid " " and resid 138 and name HD1 )) (( segid " " and resid 137 and name HB1 )) ASSI { 1003} (( segid " " and resid 138 and name HD1 )) (( segid " " and resid 137 and name HA )) 6.000 4.500 0.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.003 ppm2 4.292 CV 1 OR { 1003} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 137 and name HA )) ASSI { 1004} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 137 and name HB2 )) 6.000 4.500 0.000 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.005 ppm2 3.364 CV 1 OR { 1004} (( segid " " and resid 138 and name HD1 )) (( segid " " and resid 137 and name HB2 )) ASSI { 1010} (( segid " " and resid 29 and name HD2 )) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.636 ppm2 2.733 CV 1 ASSI { 1011} (( segid " " and resid 29 and name HD2 )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.634 ppm2 1.532 CV 1 ASSI { 1012} (( segid " " and resid 29 and name HD2 )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.636 ppm2 0.595 CV 1 ASSI { 1013} (( segid " " and resid 29 and name HD2 )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.628 ppm2 0.751 CV 1 ASSI { 1017} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG1 )) 6.000 4.500 0.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.535 ppm2 1.877 CV 1 OR { 1017} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG2 )) ASSI { 1022} (( segid " " and resid 29 and name HD1 )) (( segid " " and resid 29 and name HG1 )) 6.000 4.500 0.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.735 ppm2 2.003 CV 1 OR { 1022} (( segid " " and resid 29 and name HD1 )) (( segid " " and resid 29 and name HG2 )) ASSI { 1024} (( segid " " and resid 29 and name HD1 )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.734 ppm2 0.598 CV 1 ASSI { 1027} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HD1 )) 6.000 4.500 0.000 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.595 ppm2 3.403 CV 1 ASSI { 1028} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) 6.000 4.500 0.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.586 ppm2 8.385 CV 1 ASSI { 1029} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HD2 )) 6.000 4.500 0.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.588 ppm2 3.598 CV 1 ASSI { 1030} (( segid " " and resid 65 and name HA )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.587 ppm2 1.432 CV 1 ASSI { 1031} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 114 and name HG2 )) 6.000 4.500 0.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.038 ppm2 2.451 CV 1 OR { 1031} (( segid " " and resid 138 and name HD1 )) (( segid " " and resid 114 and name HG2 )) ASSI { 1032} (( segid " " and resid 14 and name HD1 )) (( segid " " and resid 11 and name HN )) 6.000 4.500 0.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.015 ppm2 7.319 CV 1 OR { 1032} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 11 and name HN )) ASSI { 1034} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.956 ppm2 2.475 CV 1 ASSI { 1037} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 43 and name HB1 )) 6.000 4.500 0.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.948 ppm2 1.984 CV 1 ASSI { 1039} (( segid " " and resid 44 and name HD1 )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.733 ppm2 2.480 CV 1 ASSI { 1050} (( segid " " and resid 127 and name HD1 )) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.156 ppm2 2.611 CV 1 ASSI { 1060} (( segid " " and resid 47 and name HD1 )) (( segid " " and resid 46 and name HN )) 6.000 4.500 0.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.660 ppm2 8.297 CV 1 ASSI { 1065} (( segid " " and resid 127 and name HD1 )) (( segid " " and resid 126 and name HN )) 6.000 4.500 0.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.168 ppm2 8.724 CV 1 ASSI { 1068} (( segid " " and resid 91 and name HD1 )) (( segid " " and resid 91 and name HB2 )) 6.000 4.500 0.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.580 ppm2 2.247 CV 1 ASSI { 1071} (( segid " " and resid 133 and name HD2 )) (( segid " " and resid 133 and name HD1 )) 6.000 4.500 0.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.422 ppm2 3.102 CV 1 ASSI { 1072} (( segid " " and resid 133 and name HD2 )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.404 ppm2 0.987 CV 1 ASSI { 1075} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HG1 )) 6.000 4.500 0.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.102 ppm2 1.783 CV 1 OR { 1075} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HG2 )) ASSI { 1076} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HB1 )) 6.000 4.500 0.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.100 ppm2 1.596 CV 1 ASSI { 1077} (( segid " " and resid 133 and name HD1 )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.100 ppm2 0.990 CV 1 ASSI { 1078} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.607 ppm2 8.721 CV 1 ASSI { 1079} (( segid " " and resid 66 and name HD2 )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.604 ppm2 1.433 CV 1 ASSI { 1080} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.603 ppm2 1.273 CV 1 ASSI { 1081} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.610 ppm2 0.524 CV 1 ASSI { 1083} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HD1 )) 6.000 4.500 0.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.601 ppm2 3.406 CV 1 ASSI { 1084} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.598 ppm2 1.717 CV 1 ASSI { 1085} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.600 ppm2 0.763 CV 1 ASSI { 1089} (( segid " " and resid 133 and name HD2 )) (( segid " " and resid 133 and name HB1 )) 6.000 4.500 0.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.409 ppm2 1.599 CV 1 ASSI { 1090} (( segid " " and resid 66 and name HD1 )) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.409 ppm2 1.267 CV 1 ASSI { 1091} (( segid " " and resid 66 and name HD1 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.414 ppm2 0.600 CV 1 ASSI { 1092} (( segid " " and resid 66 and name HD1 )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.411 ppm2 0.532 CV 1 ASSI { 1096} (( segid " " and resid 66 and name HD1 )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.407 ppm2 1.436 CV 1 ASSI { 1097} (( segid " " and resid 66 and name HD1 )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.402 ppm2 0.770 CV 1 ASSI { 1102} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HB2 )) 6.000 4.500 0.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.111 ppm2 1.488 CV 1 ASSI { 1105} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.992 ppm2 6.816 CV 1 ASSI { 1106} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 100 and name HG )) 6.000 4.500 0.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.997 ppm2 1.615 CV 1 ASSI { 1107} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 100 and name HD1%) 6.000 4.500 0.000 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.991 ppm2 1.050 CV 1 ASSI { 1108} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 100 and name HD2%) 6.000 4.500 0.000 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.991 ppm2 0.657 CV 1 ASSI { 1110} (( segid " " and resid 100 and name HB1 )) ( segid " " and resid 100 and name HD2%) 6.000 4.500 0.000 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.794 ppm2 0.656 CV 1 ASSI { 1114} (( segid " " and resid 122 and name HA2 )) ( segid " " and resid 152 and name HD% ) 6.000 4.500 0.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.073 ppm2 7.071 CV 1 ASSI { 1115} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.075 ppm2 6.779 CV 1 ASSI { 1116} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 122 and name HA1 )) 6.000 4.500 0.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.075 ppm2 2.802 CV 1 ASSI { 1122} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.810 ppm2 6.784 CV 1 ASSI { 1123} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.818 ppm2 0.328 CV 1 ASSI { 1126} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.806 ppm2 0.936 CV 1 ASSI { 1127} (( segid " " and resid 122 and name HA1 )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.803 ppm2 -0.564 CV 1 ASSI { 1130} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.808 ppm2 9.316 CV 1 ASSI { 1131} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HB1 )) 6.000 4.500 0.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.809 ppm2 0.995 CV 1 ASSI { 1132} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 60 and name HD1%) 6.000 4.500 0.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.807 ppm2 0.712 CV 1 ASSI { 1133} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 25 and name HB1 )) 6.000 4.500 0.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.805 ppm2 1.243 CV 1 ASSI { 1134} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.003 ppm2 9.319 CV 1 ASSI { 1142} (( segid " " and resid 81 and name HA1 )) (( segid " " and resid 94 and name HB2 )) 6.000 4.500 0.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.144 ppm2 1.694 CV 1 OR { 1142} (( segid " " and resid 81 and name HA2 )) (( segid " " and resid 94 and name HB2 )) ASSI { 1143} (( segid " " and resid 81 and name HA1 )) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.143 ppm2 0.739 CV 1 OR { 1143} (( segid " " and resid 81 and name HA2 )) ( segid " " and resid 94 and name HD2%) OR { 1143} (( segid " " and resid 81 and name HA1 )) ( segid " " and resid 94 and name HD1%) ASSI { 1144} (( segid " " and resid 81 and name HA1 )) (( segid " " and resid 94 and name HB1 )) 6.000 4.500 0.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.124 ppm2 1.397 CV 1 OR { 1144} (( segid " " and resid 81 and name HA2 )) (( segid " " and resid 94 and name HB1 )) ASSI { 1146} (( segid " " and resid 94 and name HB2 )) ( segid " " and resid 94 and name HD1%) 6.000 4.500 0.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.706 ppm2 0.744 CV 1 OR { 1146} (( segid " " and resid 94 and name HB2 )) ( segid " " and resid 94 and name HD2%) ASSI { 1148} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.392 ppm2 0.760 CV 1 ASSI { 1150} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HB2 )) 6.000 4.500 0.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.395 ppm2 1.698 CV 1 ASSI { 1152} (( segid " " and resid 111 and name HB2 )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.298 ppm2 0.317 CV 1 ASSI { 1155} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 33 and name HN )) 6.000 4.500 0.000 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.905 ppm2 9.151 CV 1 ASSI { 1156} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.909 ppm2 7.572 CV 1 ASSI { 1157} (( segid " " and resid 26 and name HA2 )) ( segid " " and resid 33 and name HD1%) 6.000 4.500 0.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.910 ppm2 0.858 CV 1 ASSI { 1158} (( segid " " and resid 26 and name HA1 )) (( segid " " and resid 27 and name HN )) 6.000 4.500 0.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.894 ppm2 7.320 CV 1 ASSI { 1159} (( segid " " and resid 26 and name HA1 )) (( segid " " and resid 33 and name HG11)) 6.000 4.500 0.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.895 ppm2 1.559 CV 1 OR { 1159} (( segid " " and resid 26 and name HA1 )) (( segid " " and resid 33 and name HG12)) ASSI { 1166} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.294 ppm2 0.891 CV 1 ASSI { 1167} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 111 and name HN )) 6.000 4.500 0.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.894 ppm2 7.595 CV 1 ASSI { 1170} (( segid " " and resid 111 and name HB1 )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.888 ppm2 0.314 CV 1 ASSI { 1172} (( segid " " and resid 140 and name HA2 )) (( segid " " and resid 141 and name HN )) 6.000 4.500 0.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.398 ppm2 7.990 CV 1 ASSI { 1174} (( segid " " and resid 140 and name HA2 )) (( segid " " and resid 140 and name HA1 )) 6.000 4.500 0.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.392 ppm2 3.511 CV 1 ASSI { 1175} (( segid " " and resid 140 and name HA2 )) ( segid " " and resid 136 and name HG1%) 6.000 4.500 0.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.391 ppm2 1.016 CV 1 ASSI { 1181} (( segid " " and resid 140 and name HA1 )) ( segid " " and resid 136 and name HG1%) 6.000 4.500 0.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.508 ppm2 1.018 CV 1 ASSI { 1185} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HB2 )) 6.000 4.500 0.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.153 ppm2 2.404 CV 1 ASSI { 1186} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.411 ppm2 7.123 CV 1 ASSI { 1193} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 55 and name HA )) 6.000 4.500 0.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.742 ppm2 6.128 CV 1 ASSI { 1194} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 8 and name HA2 )) 6.000 4.500 0.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.743 ppm2 3.754 CV 1 ASSI { 1213} (( segid " " and resid 121 and name HD1 )) (( segid " " and resid 121 and name HB2 )) 6.000 4.500 0.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.436 ppm2 0.955 CV 1 ASSI { 1214} (( segid " " and resid 121 and name HD1 )) (( segid " " and resid 121 and name HG2 )) 6.000 4.500 0.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.427 ppm2 1.390 CV 1 ASSI { 1216} (( segid " " and resid 46 and name HA2 )) (( segid " " and resid 47 and name HD1 )) 6.000 4.500 0.000 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.256 ppm2 3.671 CV 1 OR { 1216} (( segid " " and resid 46 and name HA2 )) (( segid " " and resid 47 and name HD2 )) ASSI { 1217} (( segid " " and resid 46 and name HA2 )) (( segid " " and resid 47 and name HG1 )) 6.000 4.500 0.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.265 ppm2 2.028 CV 1 OR { 1217} (( segid " " and resid 46 and name HA2 )) (( segid " " and resid 47 and name HG2 )) ASSI { 1218} (( segid " " and resid 46 and name HA2 )) (( segid " " and resid 46 and name HA1 )) 6.000 4.500 0.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.249 ppm2 3.870 CV 1 ASSI { 1220} (( segid " " and resid 46 and name HA1 )) (( segid " " and resid 47 and name HD1 )) 6.000 4.500 0.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.866 ppm2 3.663 CV 1 OR { 1220} (( segid " " and resid 46 and name HA1 )) (( segid " " and resid 47 and name HD2 )) ASSI { 1221} (( segid " " and resid 46 and name HA1 )) (( segid " " and resid 47 and name HG1 )) 6.000 4.500 0.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.866 ppm2 2.015 CV 1 OR { 1221} (( segid " " and resid 46 and name HA1 )) (( segid " " and resid 47 and name HG2 )) ASSI { 1222} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.268 ppm2 0.882 CV 1 OR { 1222} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG )) ASSI { 1229} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 120 and name HD22)) 6.000 4.500 0.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.602 ppm2 6.880 CV 1 ASSI { 1231} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HB1 )) 6.000 4.500 0.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.590 ppm2 0.856 CV 1 ASSI { 1237} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.937 ppm2 -0.519 CV 1 ASSI { 1238} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.931 ppm2 0.630 CV 1 ASSI { 1239} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.918 ppm2 0.184 CV 1 ASSI { 1257} (( segid " " and resid 75 and name HD1 )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.158 ppm2 7.184 CV 1 ASSI { 1274} (( segid " " and resid 144 and name HD1 )) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.259 ppm2 2.119 CV 1 OR { 1274} (( segid " " and resid 144 and name HD2 )) (( segid " " and resid 144 and name HB2 )) ASSI { 1275} (( segid " " and resid 144 and name HD2 )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.258 ppm2 1.591 CV 1 OR { 1275} (( segid " " and resid 144 and name HD1 )) (( segid " " and resid 144 and name HG2 )) ASSI { 1279} (( segid " " and resid 75 and name HD1 )) (( segid " " and resid 75 and name HA )) 6.000 4.500 0.000 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.177 ppm2 4.138 CV 1 ASSI { 1285} (( segid " " and resid 75 and name HD1 )) (( segid " " and resid 75 and name HG2 )) 6.000 4.500 0.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.158 ppm2 1.625 CV 1 ASSI { 1293} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HN )) 6.000 4.500 0.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.705 ppm2 7.421 CV 1 ASSI { 1294} (( segid " " and resid 155 and name HB2 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.702 ppm2 7.134 CV 1 ASSI { 1295} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HN )) 6.000 4.500 0.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.647 ppm2 9.154 CV 1 ASSI { 1298} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.521 ppm2 1.243 CV 1 ASSI { 1299} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HG )) 6.000 4.500 0.000 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.522 ppm2 0.807 CV 1 ASSI { 1308} (( segid " " and resid 41 and name HD1 )) (( segid " " and resid 41 and name HG1 )) 6.000 4.500 0.000 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.185 ppm2 1.143 CV 1 ASSI { 1310} (( segid " " and resid 75 and name HD1 )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.169 ppm2 2.262 CV 1 ASSI { 1311} (( segid " " and resid 41 and name HD2 )) (( segid " " and resid 41 and name HG2 )) 6.000 4.500 0.000 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.758 ppm2 1.502 CV 1 ASSI { 1313} (( segid " " and resid 41 and name HD2 )) (( segid " " and resid 41 and name HD1 )) 6.000 4.500 0.000 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.746 ppm2 3.179 CV 1 ASSI { 1314} (( segid " " and resid 41 and name HD2 )) (( segid " " and resid 41 and name HG1 )) 6.000 4.500 0.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.737 ppm2 1.124 CV 1 ASSI { 1315} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HB1 )) 6.000 4.500 0.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.062 ppm2 0.981 CV 1 ASSI { 1316} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HG )) 6.000 4.500 0.000 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.637 ppm2 0.810 CV 1 ASSI { 1318} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HA )) 6.000 4.500 0.000 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.489 ppm2 4.216 CV 1 ASSI { 1321} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 68 and name HB2 )) 6.000 4.500 0.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.473 ppm2 2.180 CV 1 ASSI { 1323} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.066 ppm2 0.327 CV 1 ASSI { 1325} (( segid " " and resid 125 and name HB2 )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.058 ppm2 0.449 CV 1 ASSI { 1327} (( segid " " and resid 125 and name HB2 )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.046 ppm2 -0.559 CV 1 ASSI { 1328} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.969 ppm2 5.438 CV 1 ASSI { 1330} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.961 ppm2 1.635 CV 1 ASSI { 1335} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 125 and name HG )) 6.000 4.500 0.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.925 ppm2 0.319 CV 1 ASSI { 1337} (( segid " " and resid 41 and name HD2 )) (( segid " " and resid 41 and name HB1 )) 6.000 4.500 0.000 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.753 ppm2 1.691 CV 1 OR { 1337} (( segid " " and resid 41 and name HD2 )) (( segid " " and resid 41 and name HB2 )) ASSI { 1339} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.125 ppm2 0.689 CV 1 ASSI { 1340} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HA )) 6.000 4.500 0.000 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 4.206 CV 1 ASSI { 1342} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.732 ppm2 0.727 CV 1 OR { 1342} (( segid " " and resid 64 and name HB2 )) ( segid " " and resid 64 and name HD1%) OR { 1342} (( segid " " and resid 64 and name HB2 )) ( segid " " and resid 64 and name HD2%) ASSI { 1343} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.728 ppm2 0.080 CV 1 ASSI { 1347} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 68 and name HB2 )) 6.000 4.500 0.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.724 ppm2 2.169 CV 1 ASSI { 1349} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.721 ppm2 1.305 CV 1 ASSI { 1350} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.723 ppm2 0.370 CV 1 ASSI { 1353} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HA )) 6.000 4.500 0.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.597 ppm2 4.428 CV 1 OR { 1353} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) ASSI { 1355} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 45 and name HD1%) 6.000 4.500 0.000 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.607 ppm2 0.871 CV 1 OR { 1355} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 45 and name HD1%) ASSI { 1368} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 150 and name HB2 )) 6.000 4.500 0.000 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.096 ppm2 1.261 CV 1 ASSI { 1373} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.094 ppm2 0.906 CV 1 ASSI { 1374} (( segid " " and resid 23 and name HE2 )) (( segid " " and resid 23 and name HD1 )) 6.000 4.500 0.000 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.988 ppm2 1.678 CV 1 OR { 1374} (( segid " " and resid 23 and name HE1 )) (( segid " " and resid 23 and name HD2 )) OR { 1374} (( segid " " and resid 23 and name HE2 )) (( segid " " and resid 23 and name HD2 )) OR { 1374} (( segid " " and resid 23 and name HE1 )) (( segid " " and resid 23 and name HD1 )) ASSI { 1376} (( segid " " and resid 157 and name HE2 )) (( segid " " and resid 157 and name HG2 )) 6.000 4.500 0.000 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.959 ppm2 1.541 CV 1 OR { 1376} (( segid " " and resid 157 and name HE1 )) (( segid " " and resid 157 and name HG2 )) ASSI { 1377} (( segid " " and resid 150 and name HD1 )) (( segid " " and resid 150 and name HG1 )) 6.000 4.500 0.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.962 ppm2 1.423 CV 1 ASSI { 1378} (( segid " " and resid 157 and name HE1 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.945 ppm2 7.147 CV 1 ASSI { 1381} (( segid " " and resid 157 and name HE1 )) (( segid " " and resid 154 and name HG2 )) 6.000 4.500 0.000 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.946 ppm2 0.745 CV 1 OR { 1381} (( segid " " and resid 157 and name HE2 )) (( segid " " and resid 154 and name HG2 )) ASSI { 1387} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HB1 )) 6.000 4.500 0.000 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.129 ppm2 1.231 CV 1 ASSI { 1388} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 25 and name HD1%) 6.000 4.500 0.000 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.127 ppm2 0.827 CV 1 OR { 1388} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 25 and name HD2%) ASSI { 1389} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.003 ppm2 0.267 CV 1 ASSI { 1391} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.976 ppm2 1.200 CV 1 ASSI { 1392} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 128 and name HD2%) 6.000 4.500 0.000 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.979 ppm2 0.570 CV 1 OR { 1392} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 128 and name HD1%) ASSI { 1399} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.318 ppm2 0.955 CV 1 ASSI { 1401} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.308 ppm2 0.377 CV 1 ASSI { 1402} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.307 ppm2 0.084 CV 1 ASSI { 1406} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.228 ppm2 3.848 CV 1 ASSI { 1408} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 25 and name HD2%) 6.000 4.500 0.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.231 ppm2 0.828 CV 1 OR { 1408} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 25 and name HD1%) ASSI { 1409} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 129 and name HN )) 6.000 4.500 0.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.213 ppm2 8.631 CV 1 ASSI { 1411} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HG )) 6.000 4.500 0.000 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.212 ppm2 1.947 CV 1 ASSI { 1412} (( segid " " and resid 128 and name HB1 )) ( segid " " and resid 128 and name HD2%) 6.000 4.500 0.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.207 ppm2 0.572 CV 1 OR { 1412} (( segid " " and resid 128 and name HB1 )) ( segid " " and resid 128 and name HD1%) ASSI { 1414} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.200 ppm2 0.275 CV 1 ASSI { 1431} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.070 ppm2 0.694 CV 1 ASSI { 1432} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 129 and name HN )) 6.000 4.500 0.000 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.989 ppm2 8.599 CV 1 ASSI { 1433} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.996 ppm2 1.325 CV 1 ASSI { 1438} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.860 ppm2 7.610 CV 1 ASSI { 1440} (( segid " " and resid 78 and name HB2 )) ( segid " " and resid 78 and name HD1%) 6.000 4.500 0.000 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.859 ppm2 0.807 CV 1 OR { 1440} (( segid " " and resid 78 and name HB2 )) ( segid " " and resid 78 and name HD2%) ASSI { 1441} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 79 and name HN )) 6.000 4.500 0.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.855 ppm2 8.603 CV 1 ASSI { 1442} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HB1 )) 6.000 4.500 0.000 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.857 ppm2 1.533 CV 1 ASSI { 1443} (( segid " " and resid 5 and name HB )) (( segid " " and resid 58 and name HN )) 6.000 4.500 0.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.743 ppm2 9.148 CV 1 ASSI { 1446} (( segid " " and resid 5 and name HB )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.733 ppm2 0.827 CV 1 ASSI { 1454} (( segid " " and resid 106 and name HB )) ( segid " " and resid 108 and name HG2%) 6.000 4.500 0.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.434 ppm2 1.187 CV 1 ASSI { 1457} (( segid " " and resid 106 and name HB )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.426 ppm2 0.612 CV 1 ASSI { 1461} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HB1 )) 6.000 4.500 0.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.904 ppm2 2.567 CV 1 ASSI { 1472} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HN )) 6.000 4.500 0.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.444 ppm2 7.992 CV 1 ASSI { 1474} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.085 ppm2 7.765 CV 1 ASSI { 1477} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HB1 )) 6.000 4.500 0.000 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.072 ppm2 1.442 CV 1 ASSI { 1478} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.075 ppm2 1.092 CV 1 ASSI { 1481} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.844 ppm2 0.985 CV 1 ASSI { 1484} (( segid " " and resid 5 and name HB )) (( segid " " and resid 58 and name HB )) 6.000 4.500 0.000 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.744 ppm2 1.951 CV 1 ASSI { 1489} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HN )) 6.000 4.500 0.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.439 ppm2 8.550 CV 1 ASSI { 1490} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.433 ppm2 7.746 CV 1 ASSI { 1492} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.440 ppm2 1.084 CV 1 ASSI { 1493} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 147 and name HG )) 6.000 4.500 0.000 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.091 ppm2 0.866 CV 1 ASSI { 1497} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 147 and name HB1 )) 6.000 4.500 0.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.084 ppm2 0.679 CV 1 ASSI { 1507} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 147 and name HG )) 6.000 4.500 0.000 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.676 ppm2 0.871 CV 1 ASSI { 1509} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.671 ppm2 7.417 CV 1 ASSI { 1510} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.319 ppm2 7.007 CV 1 ASSI { 1511} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HB1 )) 6.000 4.500 0.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.311 ppm2 2.306 CV 1 ASSI { 1512} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.315 ppm2 1.145 CV 1 ASSI { 1513} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.306 ppm2 0.620 CV 1 ASSI { 1515} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HN )) 6.000 4.500 0.000 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.864 ppm2 9.400 CV 1 ASSI { 1519} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.536 ppm2 1.749 CV 1 ASSI { 1530} (( segid " " and resid 97 and name HB1 )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.332 ppm2 1.747 CV 1 ASSI { 1532} (( segid " " and resid 101 and name HB1 )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.318 ppm2 7.016 CV 1 ASSI { 1535} (( segid " " and resid 101 and name HB1 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.305 ppm2 0.620 CV 1 ASSI { 1538} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.847 ppm2 3.639 CV 1 ASSI { 1539} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.841 ppm2 0.449 CV 1 ASSI { 1542} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HN )) 6.000 4.500 0.000 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.601 ppm2 8.195 CV 1 ASSI { 1543} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HB1 )) 6.000 4.500 0.000 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.603 ppm2 1.446 CV 1 ASSI { 1544} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HN )) 6.000 4.500 0.000 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.446 ppm2 8.189 CV 1 ASSI { 1546} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 70 and name HN )) 6.000 4.500 0.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.993 ppm2 7.795 CV 1 ASSI { 1551} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HN )) 6.000 4.500 0.000 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.088 ppm2 9.400 CV 1 ASSI { 1552} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.085 ppm2 7.120 CV 1 ASSI { 1554} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HB1 )) 6.000 4.500 0.000 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.072 ppm2 2.840 CV 1 ASSI { 1558} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 154 and name HB1 )) 6.000 4.500 0.000 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.744 ppm2 1.365 CV 1 OR { 1558} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 154 and name HB2 )) ASSI { 1564} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HB2 )) 6.000 4.500 0.000 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.592 ppm2 2.740 CV 1 ASSI { 1566} (( segid " " and resid 119 and name HE2 )) (( segid " " and resid 119 and name HB2 )) 6.000 4.500 0.000 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.270 ppm2 1.696 CV 1 ASSI { 1567} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.609 ppm2 3.465 CV 1 ASSI { 1568} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.441 ppm2 3.468 CV 1 ASSI { 1571} (( segid " " and resid 7 and name HB )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.443 ppm2 0.294 CV 1 ASSI { 1575} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.724 ppm2 0.277 CV 1 OR { 1575} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 128 and name HG )) ASSI { 1576} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 100 and name HB1 )) 6.000 4.500 0.000 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.709 ppm2 1.789 CV 1 OR { 1576} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 100 and name HB1 )) ASSI { 1579} (( segid " " and resid 119 and name HE2 )) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.260 ppm2 1.275 CV 1 ASSI { 1582} (( segid " " and resid 7 and name HB )) (( segid " " and resid 56 and name HN )) 6.000 4.500 0.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.453 ppm2 9.190 CV 1 ASSI { 1583} (( segid " " and resid 7 and name HB )) (( segid " " and resid 7 and name HN )) 6.000 4.500 0.000 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.441 ppm2 8.811 CV 1 ASSI { 1585} (( segid " " and resid 7 and name HB )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.446 ppm2 0.664 CV 1 ASSI { 1589} (( segid " " and resid 69 and name HB1 )) ( segid " " and resid 69 and name HD2%) 6.000 4.500 0.000 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.291 ppm2 0.951 CV 1 OR { 1589} (( segid " " and resid 69 and name HB1 )) ( segid " " and resid 69 and name HD1%) ASSI { 1594} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.008 ppm2 2.566 CV 1 ASSI { 1604} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 100 and name HD2%) 6.000 4.500 0.000 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.737 ppm2 0.650 CV 1 OR { 1604} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 100 and name HD2%) ASSI { 1605} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.726 ppm2 6.811 CV 1 OR { 1605} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 4 and name HD% ) ASSI { 1615} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.572 ppm2 3.017 CV 1 ASSI { 1618} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 121 and name HN )) 6.000 4.500 0.000 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.533 ppm2 7.024 CV 1 ASSI { 1621} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HA )) 6.000 4.500 0.000 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.204 ppm2 4.165 CV 1 ASSI { 1623} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 69 and name HD2%) 6.000 4.500 0.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.189 ppm2 0.960 CV 1 OR { 1623} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 69 and name HD1%) ASSI { 1624} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.189 ppm2 0.744 CV 1 ASSI { 1626} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 66 and name HA )) 6.000 4.500 0.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.299 ppm2 3.339 CV 1 ASSI { 1629} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.295 ppm2 2.208 CV 1 ASSI { 1630} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.290 ppm2 0.747 CV 1 ASSI { 1632} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.878 ppm2 1.240 CV 1 ASSI { 1634} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 41 and name HB1 )) 6.000 4.500 0.000 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.865 ppm2 1.662 CV 1 OR { 1634} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 41 and name HB2 )) ASSI { 1637} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 41 and name HB1 )) 6.000 4.500 0.000 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.748 ppm2 1.709 CV 1 OR { 1637} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 41 and name HB2 )) ASSI { 1646} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HN )) 6.000 4.500 0.000 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.667 ppm2 9.180 CV 1 ASSI { 1648} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HD21)) 6.000 4.500 0.000 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.666 ppm2 7.799 CV 1 ASSI { 1649} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.672 ppm2 5.500 CV 1 ASSI { 1653} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.662 ppm2 1.010 CV 1 ASSI { 1669} (( segid " " and resid 152 and name HB2 )) ( segid " " and resid 152 and name HD% ) 6.000 4.500 0.000 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.390 ppm2 7.072 CV 1 ASSI { 1670} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HB1 )) 6.000 4.500 0.000 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.393 ppm2 2.688 CV 1 ASSI { 1674} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.163 ppm2 2.910 CV 1 ASSI { 1675} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 147 and name HD1%) 6.000 4.500 0.000 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.164 ppm2 -0.465 CV 1 ASSI { 1676} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.155 ppm2 7.198 CV 1 ASSI { 1677} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.153 ppm2 0.942 CV 1 ASSI { 1679} (( segid " " and resid 129 and name HB1 )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.888 ppm2 7.198 CV 1 ASSI { 1682} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.892 ppm2 0.945 CV 1 ASSI { 1685} (( segid " " and resid 129 and name HB1 )) ( segid " " and resid 147 and name HD1%) 6.000 4.500 0.000 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.885 ppm2 -0.468 CV 1 ASSI { 1688} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 155 and name HB2 )) 6.000 4.500 0.000 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.866 ppm2 1.712 CV 1 ASSI { 1693} (( segid " " and resid 152 and name HB1 )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.695 ppm2 -0.557 CV 1 ASSI { 1694} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 153 and name HN )) 6.000 4.500 0.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.681 ppm2 8.790 CV 1 ASSI { 1695} (( segid " " and resid 152 and name HB1 )) ( segid " " and resid 152 and name HD% ) 6.000 4.500 0.000 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.690 ppm2 7.085 CV 1 ASSI { 1706} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 103 and name HD21)) 6.000 4.500 0.000 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.985 ppm2 7.568 CV 1 ASSI { 1707} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 103 and name HD22)) 6.000 4.500 0.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.985 ppm2 6.982 CV 1 ASSI { 1710} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 103 and name HB2 )) 6.000 4.500 0.000 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.983 ppm2 2.654 CV 1 ASSI { 1712} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 138 and name HG1 )) 6.000 4.500 0.000 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.986 ppm2 1.982 CV 1 OR { 1712} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 138 and name HG2 )) ASSI { 1714} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 104 and name HN )) 6.000 4.500 0.000 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.656 ppm2 8.333 CV 1 ASSI { 1715} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HD21)) 6.000 4.500 0.000 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.657 ppm2 7.564 CV 1 ASSI { 1717} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 102 and name HA1 )) 6.000 4.500 0.000 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.661 ppm2 3.873 CV 1 OR { 1717} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 102 and name HA2 )) ASSI { 1723} (( segid " " and resid 131 and name HB )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.132 ppm2 1.595 CV 1 ASSI { 1724} (( segid " " and resid 131 and name HB )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.137 ppm2 1.483 CV 1 ASSI { 1725} (( segid " " and resid 131 and name HB )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.133 ppm2 1.235 CV 1 ASSI { 1732} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HA )) 6.000 4.500 0.000 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.352 ppm2 4.302 CV 1 ASSI { 1740} (( segid " " and resid 33 and name HB )) ( segid " " and resid 33 and name HG2%) 6.000 4.500 0.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.767 ppm2 0.758 CV 1 ASSI { 1746} (( segid " " and resid 116 and name HB2 )) ( segid " " and resid 116 and name HD% ) 6.000 4.500 0.000 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.074 ppm2 6.676 CV 1 ASSI { 1747} (( segid " " and resid 116 and name HB2 )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.069 ppm2 1.432 CV 1 ASSI { 1751} (( segid " " and resid 116 and name HB1 )) ( segid " " and resid 116 and name HD% ) 6.000 4.500 0.000 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.928 ppm2 6.673 CV 1 ASSI { 1753} (( segid " " and resid 116 and name HB1 )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.934 ppm2 1.437 CV 1 ASSI { 1757} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.950 ppm2 8.720 CV 1 ASSI { 1759} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HG2 )) 6.000 4.500 0.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.947 ppm2 2.132 CV 1 ASSI { 1760} (( segid " " and resid 67 and name HG1 )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.946 ppm2 0.305 CV 1 ASSI { 1764} (( segid " " and resid 146 and name HB )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.789 ppm2 4.075 CV 1 ASSI { 1766} (( segid " " and resid 146 and name HB )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.788 ppm2 0.475 CV 1 ASSI { 1772} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HD22)) 6.000 4.500 0.000 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.887 ppm2 6.840 CV 1 ASSI { 1775} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.880 ppm2 7.391 CV 1 ASSI { 1776} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HB1 )) 6.000 4.500 0.000 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.873 ppm2 2.671 CV 1 ASSI { 1782} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HD21)) 6.000 4.500 0.000 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.673 ppm2 7.386 CV 1 ASSI { 1783} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HD22)) 6.000 4.500 0.000 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.670 ppm2 6.839 CV 1 ASSI { 1790} (( segid " " and resid 67 and name HG2 )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.135 ppm2 0.449 CV 1 ASSI { 1791} (( segid " " and resid 67 and name HG2 )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.133 ppm2 0.308 CV 1 ASSI { 1792} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.129 ppm2 6.873 CV 1 ASSI { 1793} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.964 ppm2 0.779 CV 1 ASSI { 1794} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.950 ppm2 3.623 CV 1 ASSI { 1796} (( segid " " and resid 67 and name HG1 )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.949 ppm2 0.444 CV 1 ASSI { 1798} (( segid " " and resid 76 and name HB )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.874 ppm2 8.299 CV 1 ASSI { 1799} (( segid " " and resid 76 and name HB )) (( segid " " and resid 76 and name HN )) 6.000 4.500 0.000 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.877 ppm2 8.071 CV 1 ASSI { 1805} (( segid " " and resid 28 and name HB )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.546 ppm2 0.939 CV 1 OR { 1805} (( segid " " and resid 28 and name HB )) ( segid " " and resid 69 and name HD2%) ASSI { 1808} (( segid " " and resid 28 and name HB )) (( segid " " and resid 28 and name HG11)) 6.000 4.500 0.000 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.539 ppm2 2.055 CV 1 OR { 1808} (( segid " " and resid 28 and name HB )) (( segid " " and resid 28 and name HG12)) ASSI { 1810} (( segid " " and resid 28 and name HB )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.540 ppm2 0.606 CV 1 ASSI { 1813} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.319 ppm2 6.977 CV 1 ASSI { 1814} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.321 ppm2 -0.528 CV 1 ASSI { 1818} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.296 ppm2 0.170 CV 1 ASSI { 1821} (( segid " " and resid 39 and name HB1 )) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.817 ppm2 6.984 CV 1 ASSI { 1822} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.812 ppm2 3.315 CV 1 ASSI { 1823} (( segid " " and resid 39 and name HB1 )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.821 ppm2 -0.519 CV 1 ASSI { 1824} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HN )) 6.000 4.500 0.000 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.807 ppm2 8.739 CV 1 ASSI { 1826} (( segid " " and resid 39 and name HB1 )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.804 ppm2 0.175 CV 1 ASSI { 1827} (( segid " " and resid 98 and name HB )) ( segid " " and resid 98 and name HG2%) 6.000 4.500 0.000 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.079 ppm2 0.801 CV 1 ASSI { 1828} (( segid " " and resid 98 and name HB )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.079 ppm2 0.336 CV 1 ASSI { 1836} (( segid " " and resid 113 and name HB )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.853 ppm2 0.612 CV 1 ASSI { 1837} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HA )) 6.000 4.500 0.000 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.183 ppm2 4.336 CV 1 ASSI { 1838} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HB1 )) 6.000 4.500 0.000 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.178 ppm2 2.907 CV 1 ASSI { 1840} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 126 and name HB2 )) 6.000 4.500 0.000 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.171 ppm2 3.019 CV 1 ASSI { 1841} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.170 ppm2 1.239 CV 1 ASSI { 1842} (( segid " " and resid 123 and name HB1 )) ( segid " " and resid 42 and name HG2%) 6.000 4.500 0.000 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.928 ppm2 1.242 CV 1 ASSI { 1844} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.923 ppm2 0.913 CV 1 ASSI { 1851} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.280 ppm2 9.256 CV 1 ASSI { 1854} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HB2 )) 6.000 4.500 0.000 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.279 ppm2 1.858 CV 1 ASSI { 1855} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.285 ppm2 0.985 CV 1 ASSI { 1856} (( segid " " and resid 141 and name HG2 )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.279 ppm2 0.468 CV 1 ASSI { 1857} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.047 ppm2 9.264 CV 1 ASSI { 1860} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.048 ppm2 2.277 CV 1 ASSI { 1863} (( segid " " and resid 141 and name HG1 )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.044 ppm2 0.477 CV 1 ASSI { 1868} (( segid " " and resid 113 and name HB )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.853 ppm2 1.412 CV 1 ASSI { 1869} (( segid " " and resid 113 and name HB )) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.852 ppm2 1.145 CV 1 ASSI { 1876} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.048 ppm2 2.583 CV 1 ASSI { 1881} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.826 ppm2 1.860 CV 1 ASSI { 1882} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.831 ppm2 1.594 CV 1 ASSI { 1883} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 77 and name HB2 )) 6.000 4.500 0.000 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.819 ppm2 2.580 CV 1 ASSI { 1884} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 77 and name HG1 )) 6.000 4.500 0.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.816 ppm2 2.054 CV 1 ASSI { 1892} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 96 and name HN )) 6.000 4.500 0.000 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.057 ppm2 10.547 CV 1 ASSI { 1895} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 77 and name HB2 )) 6.000 4.500 0.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.050 ppm2 2.581 CV 1 ASSI { 1899} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 80 and name HB1 )) 6.000 4.500 0.000 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.824 ppm2 2.317 CV 1 OR { 1899} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 80 and name HB2 )) ASSI { 1902} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 103 and name HN )) 6.000 4.500 0.000 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.583 ppm2 9.250 CV 1 ASSI { 1903} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HN )) 6.000 4.500 0.000 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.582 ppm2 8.328 CV 1 ASSI { 1904} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 105 and name HN )) 6.000 4.500 0.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.583 ppm2 8.176 CV 1 ASSI { 1906} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.581 ppm2 7.013 CV 1 ASSI { 1907} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.581 ppm2 4.256 CV 1 ASSI { 1908} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.583 ppm2 2.159 CV 1 ASSI { 1910} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.585 ppm2 0.595 CV 1 ASSI { 1915} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.504 ppm2 4.253 CV 1 ASSI { 1918} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.498 ppm2 0.601 CV 1 ASSI { 1919} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.494 ppm2 7.011 CV 1 ASSI { 1922} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 109 and name HB1 )) 6.000 4.500 0.000 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.319 ppm2 2.057 CV 1 OR { 1922} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 109 and name HB2 )) ASSI { 1923} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HN )) 6.000 4.500 0.000 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.155 ppm2 8.896 CV 1 ASSI { 1927} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.956 ppm2 0.968 CV 1 OR { 1927} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG1%) ASSI { 1935} (( segid " " and resid 68 and name HG1 )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.386 ppm2 1.436 CV 1 OR { 1935} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 65 and name HB% ) ASSI { 1936} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 64 and name HD2%) 6.000 4.500 0.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.389 ppm2 0.732 CV 1 OR { 1936} (( segid " " and resid 68 and name HG1 )) ( segid " " and resid 64 and name HD2%) OR { 1936} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 64 and name HD1%) ASSI { 1937} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 109 and name HN )) 6.000 4.500 0.000 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.312 ppm2 8.874 CV 1 ASSI { 1939} (( segid " " and resid 109 and name HG1 )) (( segid " " and resid 109 and name HA )) 6.000 4.500 0.000 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.249 ppm2 4.030 CV 1 ASSI { 1940} (( segid " " and resid 87 and name HG2 )) (( segid " " and resid 87 and name HN )) 6.000 4.500 0.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.239 ppm2 8.455 CV 1 ASSI { 1943} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.161 ppm2 3.905 CV 1 ASSI { 1944} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HB2 )) 6.000 4.500 0.000 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.165 ppm2 2.395 CV 1 ASSI { 1945} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.159 ppm2 0.741 CV 1 ASSI { 1948} (( segid " " and resid 30 and name HG1 )) ( segid " " and resid 64 and name HD2%) 6.000 4.500 0.000 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.089 ppm2 0.736 CV 1 OR { 1948} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 64 and name HG )) ASSI { 1950} (( segid " " and resid 58 and name HB )) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.964 ppm2 5.633 CV 1 ASSI { 1956} (( segid " " and resid 58 and name HB )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.958 ppm2 0.678 CV 1 ASSI { 1962} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.397 ppm2 1.294 CV 1 ASSI { 1963} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 67 and name HN )) 6.000 4.500 0.000 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.385 ppm2 8.710 CV 1 ASSI { 1964} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.389 ppm2 8.163 CV 1 OR { 1964} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 69 and name HN )) ASSI { 1965} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 64 and name HB2 )) 6.000 4.500 0.000 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.389 ppm2 1.733 CV 1 ASSI { 1968} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HB2 )) 6.000 4.500 0.000 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.200 ppm2 1.738 CV 1 ASSI { 1970} (( segid " " and resid 87 and name HG1 )) (( segid " " and resid 87 and name HN )) 6.000 4.500 0.000 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.192 ppm2 8.473 CV 1 ASSI { 1972} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.191 ppm2 1.262 CV 1 ASSI { 1974} (( segid " " and resid 87 and name HG1 )) ( segid " " and resid 86 and name HB% ) 6.000 4.500 0.000 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.179 ppm2 1.434 CV 1 ASSI { 1980} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.300 ppm2 8.287 CV 1 ASSI { 1981} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.298 ppm2 1.741 CV 1 ASSI { 1985} (( segid " " and resid 134 and name HG1 )) (( segid " " and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.104 ppm2 1.739 CV 1 ASSI { 1988} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HG2 )) 6.000 4.500 0.000 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.904 ppm2 2.191 CV 1 ASSI { 1989} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HB2 )) 6.000 4.500 0.000 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.905 ppm2 1.736 CV 1 ASSI { 1993} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HA )) 6.000 4.500 0.000 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.917 ppm2 4.197 CV 1 ASSI { 1995} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HG1 )) 6.000 4.500 0.000 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.908 ppm2 2.396 CV 1 ASSI { 1996} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HB1 )) 6.000 4.500 0.000 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.906 ppm2 2.215 CV 1 OR { 1996} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HB2 )) ASSI { 1997} (( segid " " and resid 74 and name HG2 )) ( segid " " and resid 70 and name HD1%) 6.000 4.500 0.000 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.907 ppm2 0.697 CV 1 ASSI { 2003} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HN )) 6.000 4.500 0.000 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.526 ppm2 7.600 CV 1 ASSI { 2005} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HG1 )) 6.000 4.500 0.000 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.528 ppm2 2.272 CV 1 OR { 2005} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HB1 )) ASSI { 2008} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HN )) 6.000 4.500 0.000 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.281 ppm2 7.609 CV 1 ASSI { 2009} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HA )) 6.000 4.500 0.000 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.269 ppm2 3.876 CV 1 ASSI { 2012} (( segid " " and resid 36 and name HB )) ( segid " " and resid 36 and name HG2%) 6.000 4.500 0.000 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.943 ppm2 1.327 CV 1 ASSI { 2013} (( segid " " and resid 36 and name HB )) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.943 ppm2 1.090 CV 1 ASSI { 2022} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HD1 )) 6.000 4.500 0.000 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.094 ppm2 4.178 CV 1 ASSI { 2024} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HD1 )) 6.000 4.500 0.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.845 ppm2 4.158 CV 1 ASSI { 2025} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HB1 )) 6.000 4.500 0.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.840 ppm2 2.076 CV 1 ASSI { 2028} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HD2 )) 6.000 4.500 0.000 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.831 ppm2 3.669 CV 1 ASSI { 2037} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HA )) 6.000 4.500 0.000 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.117 ppm2 4.374 CV 1 OR { 2037} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HA )) ASSI { 2040} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 99 and name HG2 )) 6.000 4.500 0.000 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.104 ppm2 2.636 CV 1 OR { 2040} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 99 and name HG2 )) ASSI { 2041} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HG2 )) 6.000 4.500 0.000 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.093 ppm2 2.455 CV 1 ASSI { 2044} (( segid " " and resid 114 and name HB1 )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.088 ppm2 0.831 CV 1 ASSI { 2055} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HB1 )) 6.000 4.500 0.000 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.611 ppm2 2.121 CV 1 ASSI { 2056} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 78 and name HB2 )) 6.000 4.500 0.000 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.611 ppm2 1.875 CV 1 ASSI { 2057} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 75 and name HG1 )) 6.000 4.500 0.000 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.605 ppm2 1.550 CV 1 ASSI { 2061} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HG2 )) 6.000 4.500 0.000 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.449 ppm2 2.603 CV 1 ASSI { 2066} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 144 and name HN )) 6.000 4.500 0.000 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.262 ppm2 9.587 CV 1 ASSI { 2073} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 121 and name HG2 )) 6.000 4.500 0.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.101 ppm2 1.403 CV 1 OR { 2073} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 121 and name HG2 )) ASSI { 2075} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.061 ppm2 6.740 CV 1 ASSI { 2081} (( segid " " and resid 136 and name HB )) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.931 ppm2 3.826 CV 1 ASSI { 2082} (( segid " " and resid 136 and name HB )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.932 ppm2 1.022 CV 1 OR { 2082} (( segid " " and resid 136 and name HB )) ( segid " " and resid 136 and name HG1%) ASSI { 2083} (( segid " " and resid 136 and name HB )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.921 ppm2 0.097 CV 1 ASSI { 2091} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HD1 )) 6.000 4.500 0.000 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.675 ppm2 3.197 CV 1 OR { 2091} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HD1 )) ASSI { 2094} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HG1 )) 6.000 4.500 0.000 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.668 ppm2 1.136 CV 1 OR { 2094} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HG1 )) ASSI { 2104} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.472 ppm2 4.230 CV 1 OR { 2104} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HA )) ASSI { 2105} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 146 and name HA )) 6.000 4.500 0.000 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.472 ppm2 3.641 CV 1 OR { 2105} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 146 and name HA )) ASSI { 2106} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 148 and name HB2 )) 6.000 4.500 0.000 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.479 ppm2 3.254 CV 1 OR { 2106} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 148 and name HB2 )) ASSI { 2107} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.473 ppm2 1.792 CV 1 ASSI { 2108} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.475 ppm2 1.590 CV 1 OR { 2108} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 144 and name HG2 )) ASSI { 2109} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.470 ppm2 1.264 CV 1 OR { 2109} (( segid " " and resid 145 and name HG2 )) ( segid " " and resid 149 and name HG2%) ASSI { 2110} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.477 ppm2 0.967 CV 1 ASSI { 2111} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.469 ppm2 2.087 CV 1 OR { 2111} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 141 and name HG1 )) ASSI { 2117} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.307 ppm2 4.245 CV 1 ASSI { 2118} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 51 and name HD1 )) 6.000 4.500 0.000 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.308 ppm2 3.543 CV 1 OR { 2118} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 51 and name HD1 )) ASSI { 2119} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 91 and name HB1 )) 6.000 4.500 0.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.304 ppm2 1.827 CV 1 OR { 2119} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 91 and name HB1 )) ASSI { 2125} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.264 ppm2 6.734 CV 1 ASSI { 2126} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.269 ppm2 2.655 CV 1 ASSI { 2127} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.257 ppm2 9.266 CV 1 ASSI { 2128} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.254 ppm2 4.231 CV 1 ASSI { 2129} (( segid " " and resid 142 and name HB2 )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.254 ppm2 1.023 CV 1 OR { 2129} (( segid " " and resid 142 and name HB2 )) ( segid " " and resid 136 and name HG1%) ASSI { 2133} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.077 ppm2 9.267 CV 1 ASSI { 2147} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HG1 )) 6.000 4.500 0.000 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.650 ppm2 2.172 CV 1 ASSI { 2148} (( segid " " and resid 99 and name HG2 )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.645 ppm2 1.761 CV 1 ASSI { 2153} (( segid " " and resid 83 and name HB )) (( segid " " and resid 84 and name HN )) 6.000 4.500 0.000 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.057 ppm2 8.695 CV 1 ASSI { 2154} (( segid " " and resid 83 and name HB )) (( segid " " and resid 84 and name HG2 )) 6.000 4.500 0.000 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.057 ppm2 1.198 CV 1 ASSI { 2155} (( segid " " and resid 83 and name HB )) ( segid " " and resid 83 and name HG1%) 6.000 4.500 0.000 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.049 ppm2 0.965 CV 1 OR { 2155} (( segid " " and resid 83 and name HB )) ( segid " " and resid 83 and name HG2%) ASSI { 2156} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HE2 )) 6.000 4.500 0.000 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.970 ppm2 2.966 CV 1 OR { 2156} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HE1 )) ASSI { 2159} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HG2 )) 6.000 4.500 0.000 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.794 ppm2 1.372 CV 1 ASSI { 2161} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HE2 )) 6.000 4.500 0.000 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.782 ppm2 2.949 CV 1 OR { 2161} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HE1 )) ASSI { 2162} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HA )) 6.000 4.500 0.000 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.642 ppm2 4.362 CV 1 ASSI { 2163} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HG2 )) 6.000 4.500 0.000 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.643 ppm2 1.370 CV 1 ASSI { 2166} (( segid " " and resid 142 and name HG2 )) (( segid " " and resid 142 and name HB1 )) 6.000 4.500 0.000 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.802 ppm2 2.082 CV 1 ASSI { 2169} (( segid " " and resid 105 and name HB )) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.999 ppm2 1.016 CV 1 OR { 2169} (( segid " " and resid 105 and name HB )) ( segid " " and resid 105 and name HG2%) ASSI { 2172} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HG1 )) 6.000 4.500 0.000 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.764 ppm2 1.169 CV 1 ASSI { 2178} (( segid " " and resid 142 and name HG2 )) ( segid " " and resid 136 and name HG2%) 6.000 4.500 0.000 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.799 ppm2 1.026 CV 1 OR { 2178} (( segid " " and resid 142 and name HG2 )) ( segid " " and resid 136 and name HG1%) ASSI { 2180} (( segid " " and resid 142 and name HG1 )) ( segid " " and resid 136 and name HG1%) 6.000 4.500 0.000 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.654 ppm2 1.030 CV 1 OR { 2180} (( segid " " and resid 142 and name HG1 )) ( segid " " and resid 136 and name HG2%) ASSI { 2183} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.382 ppm2 3.901 CV 1 ASSI { 2184} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HN )) 6.000 4.500 0.000 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.375 ppm2 8.887 CV 1 ASSI { 2186} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.371 ppm2 3.641 CV 1 ASSI { 2187} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HB1 )) 6.000 4.500 0.000 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.374 ppm2 1.881 CV 1 ASSI { 2189} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 64 and name HD2%) 6.000 4.500 0.000 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.374 ppm2 0.734 CV 1 OR { 2189} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 64 and name HD1%) ASSI { 2194} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.279 ppm2 0.867 CV 1 ASSI { 2202} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.874 ppm2 2.734 CV 1 ASSI { 2206} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.870 ppm2 3.620 CV 1 ASSI { 2209} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 110 and name HD1 )) 6.000 4.500 0.000 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.631 ppm2 3.231 CV 1 OR { 2209} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 110 and name HD2 )) ASSI { 2217} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 48 and name HN )) 6.000 4.500 0.000 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.312 ppm2 8.502 CV 1 ASSI { 2218} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HD2 )) 6.000 4.500 0.000 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.306 ppm2 3.667 CV 1 OR { 2218} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HD1 )) ASSI { 2224} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.165 ppm2 3.956 CV 1 OR { 2224} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HD2 )) ASSI { 2230} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 91 and name HB2 )) 6.000 4.500 0.000 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.865 ppm2 2.266 CV 1 ASSI { 2231} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.867 ppm2 0.882 CV 1 ASSI { 2235} (( segid " " and resid 110 and name HB1 )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.638 ppm2 0.467 CV 1 ASSI { 2239} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 154 and name HN )) 6.000 4.500 0.000 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.366 ppm2 8.388 CV 1 OR { 2239} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HN )) ASSI { 2241} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.368 ppm2 2.970 CV 1 OR { 2241} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 126 and name HB1 )) ASSI { 2242} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG1 )) 6.000 4.500 0.000 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.368 ppm2 1.021 CV 1 OR { 2242} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 154 and name HG1 )) ASSI { 2243} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 154 and name HG2 )) 6.000 4.500 0.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.364 ppm2 0.714 CV 1 OR { 2243} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG2 )) ASSI { 2244} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name HN )) 6.000 4.500 0.000 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.360 ppm2 7.602 CV 1 ASSI { 2245} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HD1 )) 6.000 4.500 0.000 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.358 ppm2 3.232 CV 1 OR { 2245} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HD2 )) ASSI { 2247} (( segid " " and resid 110 and name HB2 )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.359 ppm2 0.457 CV 1 ASSI { 2250} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HB1 )) 6.000 4.500 0.000 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.423 ppm2 2.939 CV 1 ASSI { 2252} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.416 ppm2 7.221 CV 1 ASSI { 2254} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.419 ppm2 0.930 CV 1 ASSI { 2255} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 28 and name HD1%) 6.000 4.500 0.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.413 ppm2 0.774 CV 1 ASSI { 2256} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.416 ppm2 0.629 CV 1 ASSI { 2257} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.945 ppm2 9.272 CV 1 ASSI { 2260} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 28 and name HD1%) 6.000 4.500 0.000 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.947 ppm2 0.773 CV 1 ASSI { 2261} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.939 ppm2 0.602 CV 1 ASSI { 2264} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HD2 )) 6.000 4.500 0.000 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.387 ppm2 4.024 CV 1 OR { 2264} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HD1 )) ASSI { 2271} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HG1 )) 6.000 4.500 0.000 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.936 ppm2 1.513 CV 1 OR { 2271} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HG1 )) ASSI { 2282} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HN )) 6.000 4.500 0.000 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.482 ppm2 8.068 CV 1 ASSI { 2287} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.699 ppm2 1.944 CV 1 ASSI { 2289} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.684 ppm2 2.989 CV 1 ASSI { 2294} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 118 and name HG1 )) 6.000 4.500 0.000 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.992 ppm2 2.147 CV 1 ASSI { 2295} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.996 ppm2 1.951 CV 1 ASSI { 2299} (( segid " " and resid 138 and name HB2 )) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.388 ppm2 1.015 CV 1 ASSI { 2300} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HD1 )) 6.000 4.500 0.000 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.921 ppm2 1.687 CV 1 OR { 2300} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HD2 )) OR { 2300} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HD2 )) OR { 2300} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HD1 )) ASSI { 2307} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HD2 )) 6.000 4.500 0.000 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.331 ppm2 6.963 CV 1 ASSI { 2310} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.319 ppm2 3.111 CV 1 ASSI { 2315} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 33 and name HB )) 6.000 4.500 0.000 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.110 ppm2 1.765 CV 1 ASSI { 2317} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HD2 )) 6.000 4.500 0.000 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.105 ppm2 6.971 CV 1 ASSI { 2320} (( segid " " and resid 2 and name HB )) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.756 ppm2 4.214 CV 1 ASSI { 2321} (( segid " " and resid 2 and name HB )) ( segid " " and resid 2 and name HG2%) 6.000 4.500 0.000 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.748 ppm2 0.759 CV 1 ASSI { 2322} (( segid " " and resid 2 and name HB )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.749 ppm2 0.125 CV 1 ASSI { 2332} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HB1 )) 6.000 4.500 0.000 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.489 ppm2 1.999 CV 1 ASSI { 2333} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HG2 )) 6.000 4.500 0.000 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.384 ppm2 2.500 CV 1 ASSI { 2338} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.371 ppm2 4.229 CV 1 ASSI { 2339} (( segid " " and resid 104 and name HB1 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.374 ppm2 0.619 CV 1 ASSI { 2345} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 106 and name HG11)) 6.000 4.500 0.000 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.176 ppm2 1.020 CV 1 OR { 2345} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 106 and name HG12)) ASSI { 2349} (( segid " " and resid 104 and name HB2 )) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.167 ppm2 0.615 CV 1 ASSI { 2350} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HG2 )) 6.000 4.500 0.000 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.154 ppm2 2.519 CV 1 ASSI { 2351} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HB1 )) 6.000 4.500 0.000 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.152 ppm2 2.368 CV 1 ASSI { 2352} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.153 ppm2 1.401 CV 1 ASSI { 2356} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HA )) 6.000 4.500 0.000 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.996 ppm2 5.104 CV 1 ASSI { 2357} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 44 and name HD1 )) 6.000 4.500 0.000 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.992 ppm2 3.738 CV 1 ASSI { 2362} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.602 ppm2 8.255 CV 1 ASSI { 2364} (( segid " " and resid 18 and name HB )) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.592 ppm2 3.453 CV 1 ASSI { 2365} (( segid " " and resid 18 and name HB )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.594 ppm2 0.166 CV 1 ASSI { 2370} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 121 and name HB1 )) 6.000 4.500 0.000 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.967 ppm2 -0.373 CV 1 ASSI { 2374} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 76 and name HB )) 6.000 4.500 0.000 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.607 ppm2 1.906 CV 1 ASSI { 2377} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.592 ppm2 1.863 CV 1 ASSI { 2383} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.125 ppm2 3.516 CV 1 ASSI { 2384} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.121 ppm2 0.942 CV 1 ASSI { 2386} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HG1 )) 6.000 4.500 0.000 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.117 ppm2 1.606 CV 1 OR { 2386} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HG2 )) ASSI { 2389} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 127 and name HA )) 6.000 4.500 0.000 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.941 ppm2 4.423 CV 1 ASSI { 2399} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.874 ppm2 0.842 CV 1 ASSI { 2400} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.859 ppm2 8.309 CV 1 ASSI { 2410} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.797 ppm2 2.125 CV 1 ASSI { 2413} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.791 ppm2 6.742 CV 1 ASSI { 2414} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HD1 )) 6.000 4.500 0.000 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.791 ppm2 3.255 CV 1 OR { 2414} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HD2 )) ASSI { 2415} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 143 and name HN )) 6.000 4.500 0.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.764 ppm2 8.393 CV 1 ASSI { 2420} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) 6.000 4.500 0.000 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.600 ppm2 4.320 CV 1 ASSI { 2421} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HD2 )) 6.000 4.500 0.000 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.602 ppm2 2.532 CV 1 OR { 2421} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HD1 )) ASSI { 2422} (( segid " " and resid 18 and name HB )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.597 ppm2 -0.517 CV 1 ASSI { 2424} (( segid " " and resid 18 and name HB )) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.589 ppm2 8.520 CV 1 ASSI { 2427} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HB1 )) 6.000 4.500 0.000 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.597 ppm2 1.275 CV 1 ASSI { 2430} (( segid " " and resid 18 and name HB )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.587 ppm2 0.646 CV 1 ASSI { 2431} (( segid " " and resid 18 and name HB )) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.588 ppm2 0.295 CV 1 ASSI { 2435} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.256 ppm2 8.290 CV 1 ASSI { 2436} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.254 ppm2 7.563 CV 1 ASSI { 2437} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.253 ppm2 4.228 CV 1 ASSI { 2438} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.250 ppm2 7.415 CV 1 ASSI { 2439} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HD2 )) 6.000 4.500 0.000 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.249 ppm2 6.980 CV 1 ASSI { 2440} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HA )) 6.000 4.500 0.000 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.245 ppm2 4.444 CV 1 ASSI { 2443} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.179 ppm2 7.415 CV 1 ASSI { 2444} (( segid " " and resid 148 and name HB1 )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.177 ppm2 1.255 CV 1 ASSI { 2445} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 149 and name HN )) 6.000 4.500 0.000 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.169 ppm2 8.287 CV 1 ASSI { 2446} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.172 ppm2 7.563 CV 1 ASSI { 2447} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 148 and name HD2 )) 6.000 4.500 0.000 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.172 ppm2 6.987 CV 1 ASSI { 2449} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.165 ppm2 4.226 CV 1 ASSI { 2450} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.171 ppm2 3.514 CV 1 ASSI { 2455} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HD2 )) 6.000 4.500 0.000 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.618 ppm2 3.234 CV 1 ASSI { 2456} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.624 ppm2 1.440 CV 1 ASSI { 2457} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.624 ppm2 1.352 CV 1 ASSI { 2459} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 91 and name HB1 )) 6.000 4.500 0.000 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.146 ppm2 1.822 CV 1 OR { 2459} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 91 and name HB1 )) ASSI { 2461} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.930 ppm2 7.146 CV 1 ASSI { 2467} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.852 ppm2 0.475 CV 1 ASSI { 2476} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.759 ppm2 2.270 CV 1 ASSI { 2477} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.761 ppm2 2.059 CV 1 ASSI { 2478} (( segid " " and resid 141 and name HB1 )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.756 ppm2 0.468 CV 1 ASSI { 2484} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HB1 )) 6.000 4.500 0.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.260 ppm2 0.506 CV 1 ASSI { 2487} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.520 ppm2 1.716 CV 1 ASSI { 2496} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.291 ppm2 1.960 CV 1 ASSI { 2504} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.185 ppm2 2.129 CV 1 ASSI { 2509} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 158 and name HB1 )) 6.000 4.500 0.000 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.126 ppm2 2.803 CV 1 ASSI { 2511} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 157 and name HB1 )) 6.000 4.500 0.000 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.101 ppm2 1.745 CV 1 ASSI { 2520} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 71 and name HD21)) 6.000 4.500 0.000 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.154 ppm2 7.169 CV 1 ASSI { 2521} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 51 and name HD2 )) 6.000 4.500 0.000 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.155 ppm2 3.786 CV 1 OR { 2521} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 51 and name HD2 )) ASSI { 2522} (( segid " " and resid 118 and name HG1 )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.151 ppm2 3.304 CV 1 ASSI { 2523} (( segid " " and resid 118 and name HG1 )) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.154 ppm2 1.241 CV 1 ASSI { 2528} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.263 ppm2 1.720 CV 1 ASSI { 2529} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.259 ppm2 0.786 CV 1 ASSI { 2531} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.253 ppm2 0.312 CV 1 ASSI { 2536} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.518 ppm2 0.768 CV 1 ASSI { 2540} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HA )) 6.000 4.500 0.000 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.642 ppm2 3.874 CV 1 ASSI { 2543} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.635 ppm2 2.270 CV 1 OR { 2543} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HG1 )) ASSI { 2548} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.289 ppm2 2.625 CV 1 ASSI { 2549} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HG2 )) 6.000 4.500 0.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.274 ppm2 2.549 CV 1 ASSI { 2551} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 68 and name HN )) 6.000 4.500 0.000 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.264 ppm2 6.874 CV 1 ASSI { 2552} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HA )) 6.000 4.500 0.000 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.274 ppm2 3.884 CV 1 ASSI { 2553} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 68 and name HB2 )) 6.000 4.500 0.000 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.265 ppm2 2.150 CV 1 ASSI { 2555} (( segid " " and resid 68 and name HB1 )) ( segid " " and resid 64 and name HD2%) 6.000 4.500 0.000 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.269 ppm2 0.735 CV 1 OR { 2555} (( segid " " and resid 68 and name HB1 )) ( segid " " and resid 64 and name HD1%) ASSI { 2556} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.258 ppm2 8.156 CV 1 ASSI { 2557} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 65 and name HN )) 6.000 4.500 0.000 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.159 ppm2 8.372 CV 1 ASSI { 2560} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.163 ppm2 1.443 CV 1 ASSI { 2561} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 64 and name HD2%) 6.000 4.500 0.000 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.162 ppm2 0.732 CV 1 OR { 2561} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 64 and name HD1%) ASSI { 2564} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.721 ppm2 1.261 CV 1 ASSI { 2565} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 34 and name HG )) 6.000 4.500 0.000 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.724 ppm2 0.803 CV 1 ASSI { 2572} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.251 ppm2 7.847 CV 1 ASSI { 2575} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HD1 )) 6.000 4.500 0.000 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.256 ppm2 2.950 CV 1 ASSI { 2576} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.256 ppm2 0.901 CV 1 ASSI { 2577} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HD1 )) 6.000 4.500 0.000 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.923 ppm2 2.955 CV 1 ASSI { 2585} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HD2 )) 6.000 4.500 0.000 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.283 ppm2 3.316 CV 1 ASSI { 2590} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 111 and name HN )) 6.000 4.500 0.000 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.031 ppm2 7.607 CV 1 OR { 2590} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 111 and name HN )) ASSI { 2592} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 93 and name HN )) 6.000 4.500 0.000 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.016 ppm2 8.869 CV 1 ASSI { 2596} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HD1 )) 6.000 4.500 0.000 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.884 ppm2 3.154 CV 1 ASSI { 2598} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HN )) 6.000 4.500 0.000 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.876 ppm2 8.071 CV 1 ASSI { 2600} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HD2 )) 6.000 4.500 0.000 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.875 ppm2 3.323 CV 1 ASSI { 2606} (( segid " " and resid 33 and name HG12)) ( segid " " and resid 33 and name HG2%) 6.000 4.500 0.000 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.566 ppm2 0.767 CV 1 OR { 2606} (( segid " " and resid 33 and name HG11)) ( segid " " and resid 33 and name HG2%) ASSI { 2617} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.330 ppm2 1.584 CV 1 ASSI { 2618} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 146 and name HN )) 6.000 4.500 0.000 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.318 ppm2 7.871 CV 1 ASSI { 2619} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.319 ppm2 6.732 CV 1 ASSI { 2620} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.317 ppm2 0.967 CV 1 ASSI { 2621} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.301 ppm2 9.281 CV 1 ASSI { 2626} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HB2 )) 6.000 4.500 0.000 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.229 ppm2 2.010 CV 1 ASSI { 2634} (( segid " " and resid 28 and name HG11)) (( segid " " and resid 25 and name HA )) 6.000 4.500 0.000 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.072 ppm2 3.859 CV 1 OR { 2634} (( segid " " and resid 28 and name HG12)) (( segid " " and resid 25 and name HA )) ASSI { 2638} (( segid " " and resid 28 and name HG12)) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.048 ppm2 3.652 CV 1 OR { 2638} (( segid " " and resid 28 and name HG11)) (( segid " " and resid 29 and name HD2 )) ASSI { 2641} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 85 and name HN )) 6.000 4.500 0.000 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.011 ppm2 8.351 CV 1 ASSI { 2644} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HG1 )) 6.000 4.500 0.000 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.002 ppm2 2.400 CV 1 OR { 2644} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HG2 )) ASSI { 2651} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HB1 )) 6.000 4.500 0.000 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.856 ppm2 2.268 CV 1 OR { 2651} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HB1 )) ASSI { 2652} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HA )) 6.000 4.500 0.000 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.844 ppm2 4.289 CV 1 OR { 2652} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HA )) ASSI { 2659} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HG1 )) 6.000 4.500 0.000 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.678 ppm2 1.515 CV 1 OR { 2659} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 23 and name HG1 )) ASSI { 2660} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 23 and name HG2 )) 6.000 4.500 0.000 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.678 ppm2 1.422 CV 1 OR { 2660} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HG2 )) ASSI { 2667} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.552 ppm2 8.593 CV 1 OR { 2667} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 59 and name HN )) ASSI { 2669} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 31 and name HB2 )) 6.000 4.500 0.000 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.555 ppm2 3.605 CV 1 OR { 2669} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 31 and name HB1 )) OR { 2669} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 31 and name HB1 )) OR { 2669} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 31 and name HB2 )) ASSI { 2677} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.365 ppm2 2.976 CV 1 OR { 2677} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 126 and name HB1 )) ASSI { 2678} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 154 and name HN )) 6.000 4.500 0.000 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.359 ppm2 8.382 CV 1 OR { 2678} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 154 and name HN )) ASSI { 2679} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 155 and name HN )) 6.000 4.500 0.000 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.358 ppm2 7.461 CV 1 OR { 2679} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 155 and name HN )) ASSI { 2681} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 154 and name HE2 )) 6.000 4.500 0.000 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.359 ppm2 2.825 CV 1 OR { 2681} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 154 and name HE1 )) OR { 2681} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 154 and name HE1 )) OR { 2681} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 154 and name HE2 )) ASSI { 2682} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 154 and name HG1 )) 6.000 4.500 0.000 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.360 ppm2 1.015 CV 1 OR { 2682} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 154 and name HG1 )) ASSI { 2683} (( segid " " and resid 154 and name HD1 )) (( segid " " and resid 154 and name HG2 )) 6.000 4.500 0.000 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.359 ppm2 0.709 CV 1 OR { 2683} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 154 and name HG2 )) ASSI { 2695} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HA )) 6.000 4.500 0.000 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.317 ppm2 4.222 CV 1 ASSI { 2697} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HG2 )) 6.000 4.500 0.000 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.311 ppm2 2.469 CV 1 OR { 2697} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HG1 )) ASSI { 2698} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HG1 )) 6.000 4.500 0.000 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.311 ppm2 2.100 CV 1 ASSI { 2699} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 142 and name HN )) 6.000 4.500 0.000 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.244 ppm2 9.272 CV 1 ASSI { 2700} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 146 and name HN )) 6.000 4.500 0.000 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.248 ppm2 7.870 CV 1 ASSI { 2701} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.245 ppm2 6.736 CV 1 ASSI { 2702} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 76 and name HA )) 6.000 4.500 0.000 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.201 ppm2 3.768 CV 1 ASSI { 2705} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) 6.000 4.500 0.000 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.182 ppm2 4.162 CV 1 ASSI { 2706} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HG2 )) 6.000 4.500 0.000 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.178 ppm2 2.603 CV 1 ASSI { 2711} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HG1 )) 6.000 4.500 0.000 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.108 ppm2 2.452 CV 1 ASSI { 2717} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG2 )) 6.000 4.500 0.000 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.835 ppm2 2.133 CV 1 OR { 2717} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) ASSI { 2718} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.835 ppm2 0.486 CV 1 OR { 2718} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 70 and name HD2%) ASSI { 2719} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.833 ppm2 0.319 CV 1 OR { 2719} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 111 and name HD2%) ASSI { 2720} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.824 ppm2 8.174 CV 1 OR { 2720} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 69 and name HN )) ASSI { 2723} (( segid " " and resid 5 and name HG12)) (( segid " " and resid 5 and name HG11)) 6.000 4.500 0.000 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.530 ppm2 1.093 CV 1 ASSI { 2727} (( segid " " and resid 54 and name HG )) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.111 ppm2 0.175 CV 1 ASSI { 2728} (( segid " " and resid 54 and name HG )) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.115 ppm2 -0.528 CV 1 ASSI { 2732} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.302 ppm2 1.735 CV 1 ASSI { 2733} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.300 ppm2 8.284 CV 1 ASSI { 2734} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HA )) 6.000 4.500 0.000 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.292 ppm2 4.541 CV 1 ASSI { 2737} (( segid " " and resid 98 and name HG12)) (( segid " " and resid 98 and name HG11)) 6.000 4.500 0.000 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.862 ppm2 0.939 CV 1 ASSI { 2738} (( segid " " and resid 98 and name HG12)) ( segid " " and resid 98 and name HG2%) 6.000 4.500 0.000 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.863 ppm2 0.790 CV 1 ASSI { 2741} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HB2 )) 6.000 4.500 0.000 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.740 ppm2 2.301 CV 1 OR { 2741} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HG2 )) ASSI { 2744} (( segid " " and resid 100 and name HG )) ( segid " " and resid 100 and name HD2%) 6.000 4.500 0.000 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.602 ppm2 0.659 CV 1 ASSI { 2746} (( segid " " and resid 146 and name HG12)) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.587 ppm2 0.477 CV 1 ASSI { 2747} (( segid " " and resid 5 and name HG11)) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.083 ppm2 1.749 CV 1 ASSI { 2752} (( segid " " and resid 146 and name HG11)) (( segid " " and resid 146 and name HG12)) 6.000 4.500 0.000 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.975 ppm2 1.591 CV 1 ASSI { 2753} (( segid " " and resid 146 and name HG11)) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.967 ppm2 0.475 CV 1 ASSI { 2756} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 72 and name HB1 )) 6.000 4.500 0.000 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.009 ppm2 2.978 CV 1 OR { 2756} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 72 and name HB1 )) ASSI { 2770} (( segid " " and resid 127 and name HG2 )) ( segid " " and resid 40 and name HD% ) 6.000 4.500 0.000 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.020 ppm2 7.133 CV 1 ASSI { 2771} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 128 and name HN )) 6.000 4.500 0.000 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.019 ppm2 6.497 CV 1 ASSI { 2775} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.019 ppm2 1.441 CV 1 ASSI { 2777} (( segid " " and resid 29 and name HG2 )) ( segid " " and resid 28 and name HG2%) 6.000 4.500 0.000 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.994 ppm2 0.608 CV 1 OR { 2777} (( segid " " and resid 29 and name HG1 )) ( segid " " and resid 28 and name HG2%) ASSI { 2790} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HN )) 6.000 4.500 0.000 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.638 ppm2 9.590 CV 1 ASSI { 2794} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.614 ppm2 3.518 CV 1 OR { 2794} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HA )) ASSI { 2795} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HD2 )) 6.000 4.500 0.000 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.618 ppm2 3.251 CV 1 OR { 2795} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HD1 )) OR { 2795} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HD2 )) OR { 2795} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HD1 )) ASSI { 2796} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.595 ppm2 3.515 CV 1 ASSI { 2811} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HD1 )) 6.000 4.500 0.000 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.462 ppm2 3.216 CV 1 OR { 2811} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HD2 )) ASSI { 2826} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 6.000 4.500 0.000 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.175 ppm2 4.197 CV 1 OR { 2826} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 2829} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 45 and name HG )) 6.000 4.500 0.000 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.126 ppm2 1.532 CV 1 ASSI { 2830} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HD2 )) 6.000 4.500 0.000 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.112 ppm2 3.833 CV 1 OR { 2830} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HD1 )) ASSI { 2831} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.113 ppm2 2.481 CV 1 ASSI { 2833} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 43 and name HB2 )) 6.000 4.500 0.000 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.049 ppm2 2.468 CV 1 ASSI { 2840} (( segid " " and resid 44 and name HG2 )) (( segid " " and resid 50 and name HG1 )) 6.000 4.500 0.000 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.022 ppm2 2.311 CV 1 OR { 2840} (( segid " " and resid 44 and name HG2 )) (( segid " " and resid 50 and name HG2 )) ASSI { 2842} (( segid " " and resid 44 and name HG2 )) (( segid " " and resid 50 and name HN )) 6.000 4.500 0.000 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.009 ppm2 7.615 CV 1 ASSI { 2843} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) 6.000 4.500 0.000 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.980 ppm2 8.889 CV 1 ASSI { 2861} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HD2 )) 6.000 4.500 0.000 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.794 ppm2 3.406 CV 1 OR { 2861} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 133 and name HD2 )) ASSI { 2869} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 110 and name HG2 )) 6.000 4.500 0.000 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.776 ppm2 1.480 CV 1 ASSI { 2875} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.626 ppm2 7.434 CV 1 OR { 2875} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 147 and name HN )) ASSI { 2880} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 151 and name HN )) 6.000 4.500 0.000 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.510 ppm2 7.556 CV 1 ASSI { 2883} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HD1 )) 6.000 4.500 0.000 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.493 ppm2 2.937 CV 1 ASSI { 2894} (( segid " " and resid 110 and name HG2 )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.466 ppm2 0.478 CV 1 ASSI { 2899} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.715 ppm2 8.973 CV 1 ASSI { 2900} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HN )) 6.000 4.500 0.000 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.716 ppm2 8.809 CV 1 ASSI { 2901} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 62 and name HB )) 6.000 4.500 0.000 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.712 ppm2 3.802 CV 1 ASSI { 2904} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.711 ppm2 1.268 CV 1 ASSI { 2912} ( segid " " and resid 100 and name HD2%) ( segid " " and resid 100 and name HD1%) 6.000 4.500 0.000 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.665 ppm2 1.045 CV 1 ASSI { 2913} ( segid " " and resid 100 and name HD2%) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.660 ppm2 0.084 CV 1 ASSI { 2918} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.027 ppm2 6.774 CV 1 ASSI { 2922} (( segid " " and resid 126 and name HB1 )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.934 ppm2 6.772 CV 1 ASSI { 2923} (( segid " " and resid 126 and name HB1 )) (( segid " " and resid 127 and name HD1 )) 6.000 4.500 0.000 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.934 ppm2 3.158 CV 1 ASSI { 2925} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.393 ppm2 0.746 CV 1 ASSI { 2926} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) 6.000 4.500 0.000 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.385 ppm2 8.897 CV 1 ASSI { 2927} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 63 and name HB2 )) 6.000 4.500 0.000 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.389 ppm2 4.044 CV 1 OR { 2927} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 63 and name HB1 )) ASSI { 2928} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.385 ppm2 3.900 CV 1 ASSI { 2929} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HG1 )) 6.000 4.500 0.000 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.387 ppm2 2.115 CV 1 ASSI { 2930} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HB1 )) 6.000 4.500 0.000 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.389 ppm2 1.999 CV 1 ASSI { 2931} (( segid " " and resid 25 and name HG )) ( segid " " and resid 25 and name HD2%) 6.000 4.500 0.000 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.938 ppm2 0.827 CV 1 OR { 2931} (( segid " " and resid 25 and name HG )) ( segid " " and resid 25 and name HD1%) ASSI { 2936} (( segid " " and resid 78 and name HG )) (( segid " " and resid 78 and name HA )) 6.000 4.500 0.000 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.721 ppm2 4.069 CV 1 ASSI { 2941} (( segid " " and resid 96 and name HG )) ( segid " " and resid 96 and name HD2%) 6.000 4.500 0.000 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.605 ppm2 0.909 CV 1 OR { 2941} (( segid " " and resid 96 and name HG )) ( segid " " and resid 96 and name HD1%) ASSI { 2948} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.494 ppm2 7.846 CV 1 ASSI { 2949} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HA )) 6.000 4.500 0.000 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.499 ppm2 4.030 CV 1 ASSI { 2950} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HD2 )) 6.000 4.500 0.000 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.494 ppm2 3.106 CV 1 ASSI { 2958} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 150 and name HA )) 6.000 4.500 0.000 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.431 ppm2 4.033 CV 1 ASSI { 2959} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.427 ppm2 7.842 CV 1 ASSI { 2968} (( segid " " and resid 60 and name HG )) (( segid " " and resid 60 and name HB2 )) 6.000 4.500 0.000 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.276 ppm2 1.826 CV 1 ASSI { 2973} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HB2 )) 6.000 4.500 0.000 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.204 ppm2 1.580 CV 1 ASSI { 2975} (( segid " " and resid 106 and name HG11)) (( segid " " and resid 106 and name HN )) 6.000 4.500 0.000 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.047 ppm2 9.396 CV 1 OR { 2975} (( segid " " and resid 106 and name HG12)) (( segid " " and resid 106 and name HN )) ASSI { 2990} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 72 and name HN )) 6.000 4.500 0.000 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.707 ppm2 7.745 CV 1 ASSI { 2992} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 64 and name HB1 )) 6.000 4.500 0.000 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.702 ppm2 1.461 CV 1 OR { 2992} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 64 and name HB1 )) ASSI { 2993} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 64 and name HN )) 6.000 4.500 0.000 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.697 ppm2 8.538 CV 1 OR { 2993} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 64 and name HN )) ASSI { 2994} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 65 and name HN )) 6.000 4.500 0.000 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.696 ppm2 8.363 CV 1 OR { 2994} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 65 and name HN )) ASSI { 3000} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HN )) 6.000 4.500 0.000 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.490 ppm2 8.072 CV 1 ASSI { 3001} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HA )) 6.000 4.500 0.000 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.470 ppm2 3.779 CV 1 ASSI { 3007} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.649 ppm2 2.269 CV 1 ASSI { 3009} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.634 ppm2 1.889 CV 1 ASSI { 3011} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.555 ppm2 2.277 CV 1 ASSI { 3019} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 150 and name HD2 )) 6.000 4.500 0.000 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.425 ppm2 3.076 CV 1 ASSI { 3026} (( segid " " and resid 135 and name HG )) (( segid " " and resid 135 and name HN )) 6.000 4.500 0.000 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.196 ppm2 7.243 CV 1 ASSI { 3037} (( segid " " and resid 147 and name HG )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.870 ppm2 0.492 CV 1 ASSI { 3047} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 74 and name HG2 )) 6.000 4.500 0.000 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.457 ppm2 2.925 CV 1 ASSI { 3049} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.458 ppm2 1.304 CV 1 ASSI { 3050} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.455 ppm2 1.012 CV 1 ASSI { 3066} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 114 and name HB2 )) 6.000 4.500 0.000 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.451 ppm2 2.837 CV 1 ASSI { 3070} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 114 and name HB2 )) 6.000 4.500 0.000 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.003 ppm2 2.836 CV 1 ASSI { 3082} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 75 and name HA )) 6.000 4.500 0.000 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.561 ppm2 4.116 CV 1 ASSI { 3084} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 75 and name HD2 )) 6.000 4.500 0.000 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.542 ppm2 3.317 CV 1 ASSI { 3089} (( segid " " and resid 111 and name HG )) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.040 ppm2 1.877 CV 1 ASSI { 3091} (( segid " " and resid 111 and name HG )) ( segid " " and resid 111 and name HD2%) 6.000 4.500 0.000 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.016 ppm2 0.311 CV 1 ASSI { 3092} (( segid " " and resid 69 and name HG )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.003 ppm2 7.682 CV 1 ASSI { 3094} (( segid " " and resid 69 and name HG )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.999 ppm2 2.192 CV 1 ASSI { 3095} (( segid " " and resid 69 and name HG )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.997 ppm2 8.151 CV 1 ASSI { 3097} (( segid " " and resid 69 and name HG )) (( segid " " and resid 66 and name HA )) 6.000 4.500 0.000 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.996 ppm2 3.351 CV 1 ASSI { 3098} ( segid " " and resid 96 and name HD2%) (( segid " " and resid 97 and name HN )) 6.000 4.500 0.000 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.925 ppm2 8.825 CV 1 ASSI { 3100} (( segid " " and resid 147 and name HG )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.887 ppm2 1.803 CV 1 ASSI { 3101} (( segid " " and resid 147 and name HG )) ( segid " " and resid 147 and name HD2%) 6.000 4.500 0.000 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.873 ppm2 -0.562 CV 1 ASSI { 3110} (( segid " " and resid 34 and name HG )) (( segid " " and resid 34 and name HN )) 6.000 4.500 0.000 peak 3110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.794 ppm2 9.156 CV 1 ASSI { 3112} (( segid " " and resid 34 and name HG )) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.793 ppm2 7.361 CV 1 ASSI { 3113} (( segid " " and resid 34 and name HG )) (( segid " " and resid 34 and name HA )) 6.000 4.500 0.000 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.791 ppm2 4.503 CV 1 ASSI { 3114} (( segid " " and resid 34 and name HG )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.793 ppm2 0.126 CV 1 ASSI { 3119} (( segid " " and resid 66 and name HG2 )) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.767 ppm2 6.998 CV 1 ASSI { 3121} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HD1 )) 6.000 4.500 0.000 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.766 ppm2 3.379 CV 1 OR { 3121} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HA )) ASSI { 3124} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.559 ppm2 1.499 CV 1 ASSI { 3130} (( segid " " and resid 157 and name HG2 )) (( segid " " and resid 157 and name HG1 )) 6.000 4.500 0.000 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.561 ppm2 1.169 CV 1 ASSI { 3138} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 19 and name HA )) 6.000 4.500 0.000 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.092 ppm2 4.554 CV 1 ASSI { 3140} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 3140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.090 ppm2 0.296 CV 1 ASSI { 3144} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HG )) 6.000 4.500 0.000 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.088 ppm2 1.851 CV 1 ASSI { 3157} ( segid " " and resid 128 and name HD1%) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.560 ppm2 6.800 CV 1 ASSI { 3159} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 128 and name HA )) 6.000 4.500 0.000 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.559 ppm2 3.814 CV 1 OR { 3159} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 128 and name HA )) ASSI { 3163} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.561 ppm2 0.276 CV 1 OR { 3163} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 128 and name HG )) ASSI { 3164} ( segid " " and resid 128 and name HD2%) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.559 ppm2 0.083 CV 1 OR { 3164} ( segid " " and resid 128 and name HD1%) ( segid " " and resid 135 and name HD2%) ASSI { 3167} ( segid " " and resid 54 and name HD2%) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.519 ppm2 6.972 CV 1 ASSI { 3170} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 55 and name HB1 )) 6.000 4.500 0.000 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.525 ppm2 3.162 CV 1 ASSI { 3173} ( segid " " and resid 54 and name HD2%) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.522 ppm2 1.460 CV 1 ASSI { 3178} ( segid " " and resid 54 and name HD2%) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.522 ppm2 0.286 CV 1 ASSI { 3179} ( segid " " and resid 54 and name HD2%) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.520 ppm2 0.172 CV 1 ASSI { 3180} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.528 ppm2 3.454 CV 1 ASSI { 3186} (( segid " " and resid 157 and name HG1 )) (( segid " " and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.184 ppm2 1.963 CV 1 ASSI { 3194} ( segid " " and resid 111 and name HD2%) (( segid " " and resid 111 and name HA )) 6.000 4.500 0.000 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.284 ppm2 3.888 CV 1 ASSI { 3199} ( segid " " and resid 111 and name HD2%) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.286 ppm2 0.929 CV 1 ASSI { 3201} ( segid " " and resid 111 and name HD2%) (( segid " " and resid 112 and name HN )) 6.000 4.500 0.000 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.280 ppm2 9.699 CV 1 ASSI { 3212} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 54 and name HN )) 6.000 4.500 0.000 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.517 ppm2 8.697 CV 1 ASSI { 3214} (( segid " " and resid 131 and name HG11)) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 3214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.451 ppm2 0.367 CV 1 ASSI { 3222} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.643 ppm2 5.912 CV 1 ASSI { 3223} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 25 and name HA )) 6.000 4.500 0.000 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.642 ppm2 3.869 CV 1 ASSI { 3231} ( segid " " and resid 135 and name HD1%) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.377 ppm2 6.820 CV 1 ASSI { 3233} ( segid " " and resid 135 and name HD1%) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.373 ppm2 3.839 CV 1 ASSI { 3235} ( segid " " and resid 135 and name HD1%) (( segid " " and resid 135 and name HG )) 6.000 4.500 0.000 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.376 ppm2 1.222 CV 1 ASSI { 3236} ( segid " " and resid 135 and name HD1%) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.376 ppm2 0.984 CV 1 ASSI { 3239} ( segid " " and resid 135 and name HD1%) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.374 ppm2 0.095 CV 1 ASSI { 3250} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HB1 )) 6.000 4.500 0.000 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.430 ppm2 1.930 CV 1 OR { 3250} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HB2 )) ASSI { 3251} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HA )) 6.000 4.500 0.000 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.427 ppm2 3.965 CV 1 ASSI { 3255} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 154 and name HB2 )) 6.000 4.500 0.000 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.021 ppm2 1.361 CV 1 OR { 3255} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 154 and name HD1 )) OR { 3255} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 154 and name HD2 )) OR { 3255} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 154 and name HB1 )) ASSI { 3256} (( segid " " and resid 143 and name HG )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.975 ppm2 1.224 CV 1 ASSI { 3257} (( segid " " and resid 143 and name HG )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.950 ppm2 7.189 CV 1 ASSI { 3258} (( segid " " and resid 143 and name HG )) ( segid " " and resid 147 and name HD1%) 6.000 4.500 0.000 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.946 ppm2 -0.498 CV 1 ASSI { 3260} (( segid " " and resid 143 and name HG )) (( segid " " and resid 125 and name HA )) 6.000 4.500 0.000 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.945 ppm2 3.830 CV 1 ASSI { 3266} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.719 ppm2 2.979 CV 1 ASSI { 3268} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 69 and name HG )) 6.000 4.500 0.000 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.643 ppm2 0.980 CV 1 ASSI { 3277} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.522 ppm2 7.741 CV 1 ASSI { 3285} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 3285 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.420 ppm2 7.895 CV 1 ASSI { 3286} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3286 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.423 ppm2 7.751 CV 1 ASSI { 3288} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HE1 )) 6.000 4.500 0.000 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.420 ppm2 2.987 CV 1 OR { 3288} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HE2 )) ASSI { 3294} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HA )) 6.000 4.500 0.000 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.323 ppm2 4.359 CV 1 ASSI { 3295} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HB2 )) 6.000 4.500 0.000 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.314 ppm2 1.797 CV 1 ASSI { 3296} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HB1 )) 6.000 4.500 0.000 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.317 ppm2 1.664 CV 1 ASSI { 3304} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HN )) 6.000 4.500 0.000 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.054 ppm2 7.482 CV 1 ASSI { 3308} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 114 and name HA )) 6.000 4.500 0.000 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.057 ppm2 5.431 CV 1 ASSI { 3309} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 137 and name HA )) 6.000 4.500 0.000 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.056 ppm2 4.295 CV 1 ASSI { 3311} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 138 and name HD1 )) 6.000 4.500 0.000 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.055 ppm2 4.016 CV 1 OR { 3311} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 138 and name HD2 )) ASSI { 3314} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 4 and name HB2 )) 6.000 4.500 0.000 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.056 ppm2 2.695 CV 1 OR { 3314} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 4 and name HB1 )) ASSI { 3317} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HB1 )) 6.000 4.500 0.000 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.056 ppm2 1.803 CV 1 ASSI { 3318} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HG )) 6.000 4.500 0.000 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.057 ppm2 1.610 CV 1 ASSI { 3320} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.057 ppm2 0.386 CV 1 ASSI { 3322} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 126 and name HB1 )) 6.000 4.500 0.000 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.037 ppm2 2.979 CV 1 ASSI { 3326} (( segid " " and resid 143 and name HG )) (( segid " " and resid 143 and name HN )) 6.000 4.500 0.000 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.967 ppm2 8.414 CV 1 ASSI { 3329} (( segid " " and resid 143 and name HG )) (( segid " " and resid 129 and name HN )) 6.000 4.500 0.000 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.950 ppm2 8.629 CV 1 ASSI { 3330} (( segid " " and resid 15 and name HG )) (( segid " " and resid 15 and name HN )) 6.000 4.500 0.000 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.948 ppm2 8.184 CV 1 ASSI { 3333} (( segid " " and resid 15 and name HG )) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 3333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.950 ppm2 3.463 CV 1 ASSI { 3339} (( segid " " and resid 11 and name HG )) (( segid " " and resid 11 and name HN )) 6.000 4.500 0.000 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.891 ppm2 7.313 CV 1 ASSI { 3346} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.818 ppm2 7.595 CV 1 OR { 3346} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 26 and name HN )) ASSI { 3348} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 25 and name HA )) 6.000 4.500 0.000 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.822 ppm2 3.882 CV 1 OR { 3348} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HA )) ASSI { 3350} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.822 ppm2 1.720 CV 1 OR { 3350} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 5 and name HB )) ASSI { 3354} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HE2 )) 6.000 4.500 0.000 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.713 ppm2 2.830 CV 1 OR { 3354} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HE1 )) ASSI { 3355} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HD1 )) 6.000 4.500 0.000 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.715 ppm2 1.358 CV 1 OR { 3355} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB1 )) OR { 3355} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HD2 )) OR { 3355} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB2 )) ASSI { 3361} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 126 and name HE3 )) 6.000 4.500 0.000 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.473 ppm2 7.816 CV 1 ASSI { 3363} ( segid " " and resid 147 and name HD1%) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 3363 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.467 ppm2 7.197 CV 1 ASSI { 3369} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.471 ppm2 1.088 CV 1 ASSI { 3370} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.472 ppm2 0.918 CV 1 ASSI { 3371} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 147 and name HB1 )) 6.000 4.500 0.000 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.472 ppm2 0.686 CV 1 ASSI { 3372} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 147 and name HA )) 6.000 4.500 0.000 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.474 ppm2 3.666 CV 1 ASSI { 3377} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HN )) 6.000 4.500 0.000 peak 3377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.848 ppm2 8.560 CV 1 ASSI { 3379} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HA )) 6.000 4.500 0.000 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.844 ppm2 3.941 CV 1 ASSI { 3380} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.844 ppm2 2.081 CV 1 ASSI { 3381} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HB1 )) 6.000 4.500 0.000 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.850 ppm2 1.431 CV 1 ASSI { 3388} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.352 ppm2 3.644 CV 1 ASSI { 3391} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.349 ppm2 1.287 CV 1 ASSI { 3392} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 111 and name HG )) 6.000 4.500 0.000 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.351 ppm2 1.016 CV 1 ASSI { 3394} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 3394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.346 ppm2 0.885 CV 1 ASSI { 3398} ( segid " " and resid 15 and name HD1%) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.699 ppm2 6.990 CV 1 ASSI { 3399} ( segid " " and resid 15 and name HD2%) (( segid " " and resid 15 and name HB1 )) 6.000 4.500 0.000 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.701 ppm2 1.457 CV 1 OR { 3399} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 15 and name HB1 )) ASSI { 3400} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 15 and name HN )) 6.000 4.500 0.000 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.693 ppm2 8.199 CV 1 OR { 3400} ( segid " " and resid 15 and name HD2%) (( segid " " and resid 15 and name HN )) ASSI { 3401} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.696 ppm2 3.454 CV 1 OR { 3401} ( segid " " and resid 15 and name HD2%) (( segid " " and resid 15 and name HA )) ASSI { 3403} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.638 ppm2 8.526 CV 1 ASSI { 3406} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 3406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.643 ppm2 3.467 CV 1 ASSI { 3410} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 3410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.639 ppm2 0.290 CV 1 ASSI { 3411} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 54 and name HD2%) 6.000 4.500 0.000 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.640 ppm2 -0.519 CV 1 ASSI { 3416} ( segid " " and resid 56 and name HB% ) (( segid " " and resid 7 and name HN )) 6.000 4.500 0.000 peak 3416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.447 ppm2 8.802 CV 1 ASSI { 3417} ( segid " " and resid 56 and name HB% ) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 3417 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.448 ppm2 6.963 CV 1 ASSI { 3419} ( segid " " and resid 56 and name HB% ) (( segid " " and resid 55 and name HA )) 6.000 4.500 0.000 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.449 ppm2 6.127 CV 1 ASSI { 3420} ( segid " " and resid 56 and name HB% ) (( segid " " and resid 57 and name HA )) 6.000 4.500 0.000 peak 3420 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.453 ppm2 5.647 CV 1 ASSI { 3422} ( segid " " and resid 56 and name HB% ) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.451 ppm2 1.086 CV 1 ASSI { 3423} ( segid " " and resid 56 and name HB% ) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.451 ppm2 0.663 CV 1 ASSI { 3424} ( segid " " and resid 56 and name HB% ) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.450 ppm2 0.292 CV 1 ASSI { 3432} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 54 and name HD1%) 6.000 4.500 0.000 peak 3432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.639 ppm2 0.170 CV 1 ASSI { 3434} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.922 ppm2 8.154 CV 1 OR { 3434} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HN )) ASSI { 3435} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HA )) 6.000 4.500 0.000 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.924 ppm2 4.171 CV 1 OR { 3435} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HA )) ASSI { 3441} (( segid " " and resid 155 and name HG )) (( segid " " and resid 123 and name HA )) 6.000 4.500 0.000 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.917 ppm2 4.331 CV 1 ASSI { 3442} (( segid " " and resid 155 and name HG )) (( segid " " and resid 43 and name HD2 )) 6.000 4.500 0.000 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.918 ppm2 3.830 CV 1 OR { 3442} (( segid " " and resid 155 and name HG )) (( segid " " and resid 43 and name HD1 )) ASSI { 3450} (( segid " " and resid 94 and name HG )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 3450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.780 ppm2 1.847 CV 1 ASSI { 3451} (( segid " " and resid 94 and name HG )) (( segid " " and resid 94 and name HB2 )) 6.000 4.500 0.000 peak 3451 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.783 ppm2 1.710 CV 1 ASSI { 3456} (( segid " " and resid 128 and name HG )) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.271 ppm2 6.817 CV 1 ASSI { 3472} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HA )) 6.000 4.500 0.000 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.241 ppm2 4.985 CV 1 ASSI { 3474} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HB )) 6.000 4.500 0.000 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.241 ppm2 4.150 CV 1 ASSI { 3480} ( segid " " and resid 42 and name HG2%) ( segid " " and resid 45 and name HD1%) 6.000 4.500 0.000 peak 3480 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.242 ppm2 0.891 CV 1 ASSI { 3489} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.954 ppm2 1.251 CV 1 OR { 3489} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 66 and name HB2 )) ASSI { 3491} (( segid " " and resid 155 and name HG )) (( segid " " and resid 127 and name HD1 )) 6.000 4.500 0.000 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.910 ppm2 3.131 CV 1 ASSI { 3494} (( segid " " and resid 155 and name HG )) (( segid " " and resid 126 and name HD1 )) 6.000 4.500 0.000 peak 3494 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.906 ppm2 6.768 CV 1 ASSI { 3499} (( segid " " and resid 94 and name HG )) (( segid " " and resid 77 and name HA )) 6.000 4.500 0.000 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.781 ppm2 3.680 CV 1 ASSI { 3502} (( segid " " and resid 94 and name HG )) (( segid " " and resid 95 and name HB1 )) 6.000 4.500 0.000 peak 3502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.785 ppm2 2.535 CV 1 ASSI { 3503} (( segid " " and resid 94 and name HG )) (( segid " " and resid 77 and name HG1 )) 6.000 4.500 0.000 peak 3503 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.783 ppm2 2.035 CV 1 ASSI { 3506} (( segid " " and resid 94 and name HG )) (( segid " " and resid 8 and name HN )) 6.000 4.500 0.000 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.772 ppm2 8.792 CV 1 ASSI { 3514} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 98 and name HB )) 6.000 4.500 0.000 peak 3514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.684 ppm2 2.093 CV 1 ASSI { 3515} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 3515 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.684 ppm2 1.850 CV 1 ASSI { 3516} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.681 ppm2 1.280 CV 1 ASSI { 3517} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 3517 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.682 ppm2 0.443 CV 1 ASSI { 3524} (( segid " " and resid 128 and name HG )) (( segid " " and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 3524 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.275 ppm2 1.723 CV 1 ASSI { 3525} (( segid " " and resid 128 and name HG )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.274 ppm2 1.463 CV 1 ASSI { 3528} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HN )) 6.000 4.500 0.000 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.173 ppm2 8.697 CV 1 ASSI { 3529} ( segid " " and resid 54 and name HD1%) ( segid " " and resid 39 and name HD% ) 6.000 4.500 0.000 peak 3529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.174 ppm2 6.983 CV 1 ASSI { 3533} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 158 and name HB2 )) 6.000 4.500 0.000 peak 3533 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.173 ppm2 3.136 CV 1 ASSI { 3541} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 9 and name HN )) 6.000 4.500 0.000 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.162 ppm2 8.552 CV 1 ASSI { 3544} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 45 and name HB2 )) 6.000 4.500 0.000 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.243 ppm2 1.612 CV 1 OR { 3544} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 45 and name HB1 )) ASSI { 3553} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 113 and name HA )) 6.000 4.500 0.000 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.857 ppm2 4.306 CV 1 ASSI { 3554} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.856 ppm2 3.317 CV 1 ASSI { 3555} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 101 and name HB1 )) 6.000 4.500 0.000 peak 3555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.860 ppm2 2.310 CV 1 ASSI { 3558} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 104 and name HB2 )) 6.000 4.500 0.000 peak 3558 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.845 ppm2 2.188 CV 1 ASSI { 3559} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 3559 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.853 ppm2 1.854 CV 1 ASSI { 3577} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 127 and name HB1 )) 6.000 4.500 0.000 peak 3577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.342 ppm2 1.931 CV 1 ASSI { 3579} ( segid " " and resid 57 and name HB% ) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 3579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.336 ppm2 6.812 CV 1 ASSI { 3580} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 128 and name HA )) 6.000 4.500 0.000 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.335 ppm2 3.807 CV 1 ASSI { 3596} ( segid " " and resid 36 and name HG1%) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 3596 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.087 ppm2 8.602 CV 1 ASSI { 3606} (( segid " " and resid 64 and name HG )) (( segid " " and resid 30 and name HN )) 6.000 4.500 0.000 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.754 ppm2 8.903 CV 1 ASSI { 3609} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 102 and name HA2 )) 6.000 4.500 0.000 peak 3609 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 3.866 CV 1 OR { 3609} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 102 and name HA1 )) ASSI { 3611} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 61 and name HG1 )) 6.000 4.500 0.000 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.755 ppm2 1.903 CV 1 ASSI { 3613} ( segid " " and resid 2 and name HG2%) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.758 ppm2 0.130 CV 1 ASSI { 3614} (( segid " " and resid 64 and name HG )) (( segid " " and resid 64 and name HN )) 6.000 4.500 0.000 peak 3614 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.746 ppm2 8.537 CV 1 ASSI { 3616} (( segid " " and resid 64 and name HG )) (( segid " " and resid 63 and name HN )) 6.000 4.500 0.000 peak 3616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.746 ppm2 8.260 CV 1 ASSI { 3621} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 3621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.262 ppm2 7.846 CV 1 ASSI { 3628} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 145 and name HG1 )) 6.000 4.500 0.000 peak 3628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.264 ppm2 2.475 CV 1 ASSI { 3631} ( segid " " and resid 35 and name HG2%) (( segid " " and resid 36 and name HN )) 6.000 4.500 0.000 peak 3631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.243 ppm2 8.293 CV 1 ASSI { 3632} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.236 ppm2 7.359 CV 1 ASSI { 3633} ( segid " " and resid 59 and name HB% ) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.237 ppm2 6.820 CV 1 ASSI { 3635} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 58 and name HA )) 6.000 4.500 0.000 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.237 ppm2 4.905 CV 1 ASSI { 3641} ( segid " " and resid 59 and name HB% ) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 3641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.237 ppm2 0.127 CV 1 ASSI { 3645} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 111 and name HN )) 6.000 4.500 0.000 peak 3645 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.202 ppm2 7.599 CV 1 ASSI { 3653} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 113 and name HN )) 6.000 4.500 0.000 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.145 ppm2 9.366 CV 1 ASSI { 3666} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 101 and name HB1 )) 6.000 4.500 0.000 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.147 ppm2 2.318 CV 1 ASSI { 3671} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 72 and name HB2 )) 6.000 4.500 0.000 peak 3671 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.052 ppm2 3.425 CV 1 ASSI { 3681} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 60 and name HN )) 6.000 4.500 0.000 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.964 ppm2 9.302 CV 1 ASSI { 3683} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 3683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.961 ppm2 7.362 CV 1 ASSI { 3685} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.956 ppm2 8.595 CV 1 ASSI { 3687} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 3687 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.956 ppm2 1.748 CV 1 OR { 3687} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 5 and name HB )) ASSI { 3706} ( segid " " and resid 147 and name HD2%) ( segid " " and resid 152 and name HD% ) 6.000 4.500 0.000 peak 3706 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.564 ppm2 7.087 CV 1 ASSI { 3710} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 147 and name HB1 )) 6.000 4.500 0.000 peak 3710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.564 ppm2 0.699 CV 1 ASSI { 3712} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 3712 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.570 ppm2 4.082 CV 1 ASSI { 3713} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 119 and name HA )) 6.000 4.500 0.000 peak 3713 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.567 ppm2 3.805 CV 1 ASSI { 3714} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 3714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.566 ppm2 3.390 CV 1 ASSI { 3715} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 3715 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.569 ppm2 1.804 CV 1 ASSI { 3721} ( segid " " and resid 6 and name HB% ) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 3721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.749 ppm2 0.831 CV 1 ASSI { 3723} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 3723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.235 ppm2 5.602 CV 1 ASSI { 3727} ( segid " " and resid 3 and name HB% ) ( segid " " and resid 69 and name HD2%) 6.000 4.500 0.000 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.214 ppm2 0.969 CV 1 ASSI { 3729} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 107 and name HD21)) 6.000 4.500 0.000 peak 3729 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.030 ppm2 7.797 CV 1 ASSI { 3730} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 107 and name HD22)) 6.000 4.500 0.000 peak 3730 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.028 ppm2 6.793 CV 1 ASSI { 3731} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 106 and name HN )) 6.000 4.500 0.000 peak 3731 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.019 ppm2 9.410 CV 1 OR { 3731} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 106 and name HN )) ASSI { 3734} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 104 and name HA )) 6.000 4.500 0.000 peak 3734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.015 ppm2 4.213 CV 1 OR { 3734} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 104 and name HA )) ASSI { 3737} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 138 and name HD2 )) 6.000 4.500 0.000 peak 3737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.009 ppm2 4.018 CV 1 OR { 3737} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 138 and name HD1 )) ASSI { 3750} (( segid " " and resid 1 and name HG21)) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 3750 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.512 ppm2 1.762 CV 1 ASSI { 3758} ( segid " " and resid 6 and name HB% ) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 3758 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 5.479 CV 1 ASSI { 3763} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 113 and name HN )) 6.000 4.500 0.000 peak 3763 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.432 ppm2 9.346 CV 1 ASSI { 3773} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 99 and name HG2 )) 6.000 4.500 0.000 peak 3773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.432 ppm2 2.669 CV 1 ASSI { 3782} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 139 and name HN )) 6.000 4.500 0.000 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.007 ppm2 7.484 CV 1 ASSI { 3784} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 138 and name HA )) 6.000 4.500 0.000 peak 3784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.008 ppm2 4.486 CV 1 ASSI { 3792} (( segid " " and resid 1 and name HG21)) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.511 ppm2 7.004 CV 1 ASSI { 3793} (( segid " " and resid 1 and name HG21)) (( segid " " and resid 102 and name HA1 )) 6.000 4.500 0.000 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.512 ppm2 3.862 CV 1 OR { 3793} (( segid " " and resid 1 and name HG21)) (( segid " " and resid 102 and name HA2 )) ASSI { 3797} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 60 and name HB2 )) 6.000 4.500 0.000 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.324 ppm2 1.795 CV 1 ASSI { 3799} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 83 and name HN )) 6.000 4.500 0.000 peak 3799 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.976 ppm2 8.489 CV 1 ASSI { 3804} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 3804 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.295 ppm2 3.458 CV 1 ASSI { 3810} ( segid " " and resid 18 and name HG1%) ( segid " " and resid 22 and name HD1%) 6.000 4.500 0.000 peak 3810 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.299 ppm2 0.823 CV 1 ASSI { 3813} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 22 and name HG )) 6.000 4.500 0.000 peak 3813 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.294 ppm2 1.842 CV 1 ASSI { 3817} ( segid " " and resid 2 and name HG1%) ( segid " " and resid 4 and name HD% ) 6.000 4.500 0.000 peak 3817 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.132 ppm2 6.819 CV 1 ASSI { 3821} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 3821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.130 ppm2 1.528 CV 1 ASSI { 3827} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 57 and name HN )) 6.000 4.500 0.000 peak 3827 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.331 ppm2 9.465 CV 1 ASSI { 3828} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 37 and name HN )) 6.000 4.500 0.000 peak 3828 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.330 ppm2 9.201 CV 1 ASSI { 3832} ( segid " " and resid 24 and name HB% ) ( segid " " and resid 94 and name HD2%) 6.000 4.500 0.000 peak 3832 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.518 ppm2 0.734 CV 1 OR { 3832} ( segid " " and resid 24 and name HB% ) ( segid " " and resid 94 and name HD1%) ASSI { 3856} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 3856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.521 ppm2 7.608 CV 1 ASSI { 3857} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 80 and name HB2 )) 6.000 4.500 0.000 peak 3857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.522 ppm2 2.309 CV 1 OR { 3857} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 80 and name HB1 )) ASSI { 3858} ( segid " " and resid 24 and name HB% ) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 3858 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.519 ppm2 0.853 CV 1 ASSI { 3862} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3862 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.516 ppm2 7.744 CV 1 ASSI { 3863} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 3863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.518 ppm2 4.172 CV 1 ASSI { 3864} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 21 and name HA )) 6.000 4.500 0.000 peak 3864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.518 ppm2 3.952 CV 1 ASSI { 3866} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 76 and name HG12)) 6.000 4.500 0.000 peak 3866 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.514 ppm2 2.089 CV 1 OR { 3866} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 76 and name HG11)) ASSI { 3867} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 76 and name HA )) 6.000 4.500 0.000 peak 3867 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.502 ppm2 3.774 CV 1 ASSI { 3882} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 3882 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.992 ppm2 1.716 CV 1 ASSI { 3892} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 64 and name HB2 )) 6.000 4.500 0.000 peak 3892 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.087 ppm2 1.754 CV 1 ASSI { 3893} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 20 and name HN )) 6.000 4.500 0.000 peak 3893 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.445 ppm2 8.185 CV 1 ASSI { 3894} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 24 and name HN )) 6.000 4.500 0.000 peak 3894 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.451 ppm2 7.888 CV 1 ASSI { 3895} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.442 ppm2 7.759 CV 1 ASSI { 3910} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 107 and name HA )) 6.000 4.500 0.000 peak 3910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.915 ppm2 5.495 CV 1 ASSI { 3912} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 3912 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.915 ppm2 1.412 CV 1 ASSI { 3913} ( segid " " and resid 106 and name HG2%) ( segid " " and resid 106 and name HD1%) 6.000 4.500 0.000 peak 3913 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.913 ppm2 0.607 CV 1 ASSI { 3916} ( segid " " and resid 86 and name HB% ) (( segid " " and resid 86 and name HN )) 6.000 4.500 0.000 peak 3916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.410 ppm2 8.469 CV 1 ASSI { 3938} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 21 and name HN )) 6.000 4.500 0.000 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.526 ppm2 8.592 CV 1 ASSI { 3943} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.526 ppm2 4.180 CV 1 ASSI { 3985} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 21 and name HN )) 6.000 4.500 0.000 peak 3985 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.850 ppm2 8.582 CV 1 ASSI { 3994} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 3994 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.743 ppm2 2.274 CV 1 ASSI { 4027} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 61 and name HN )) 6.000 4.500 0.000 peak 4027 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.770 ppm2 8.806 CV 1 ASSI { 4029} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 4029 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.761 ppm2 8.596 CV 1 ASSI { 4031} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 4031 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 7.350 CV 1 ASSI { 4032} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 4032 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 3.860 CV 1 ASSI { 4049} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 96 and name HA )) 6.000 4.500 0.000 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.826 ppm2 5.452 CV 1 ASSI { 4052} ( segid " " and resid 28 and name HG2%) (( segid " " and resid 29 and name HA )) 6.000 4.500 0.000 peak 4052 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.598 ppm2 4.336 CV 1 ASSI { 4059} ( segid " " and resid 28 and name HG2%) (( segid " " and resid 69 and name HA )) 6.000 4.500 0.000 peak 4059 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.592 ppm2 4.161 CV 1 ASSI { 4064} ( segid " " and resid 28 and name HG2%) (( segid " " and resid 28 and name HG12)) 6.000 4.500 0.000 peak 4064 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.593 ppm2 2.049 CV 1 OR { 4064} ( segid " " and resid 28 and name HG2%) (( segid " " and resid 28 and name HG11)) ASSI { 4065} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 150 and name HN )) 6.000 4.500 0.000 peak 4065 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.201 ppm2 7.848 CV 1 ASSI { 4070} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 31 and name HN )) 6.000 4.500 0.000 peak 4070 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.795 ppm2 7.286 CV 1 ASSI { 4072} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.795 ppm2 3.647 CV 1 ASSI { 4077} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 147 and name HN )) 6.000 4.500 0.000 peak 4077 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.477 ppm2 7.424 CV 1 ASSI { 4078} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 119 and name HA )) 6.000 4.500 0.000 peak 4078 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.478 ppm2 3.784 CV 1 ASSI { 4092} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 119 and name HB1 )) 6.000 4.500 0.000 peak 4092 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.474 ppm2 1.456 CV 1 ASSI { 4093} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 4093 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.475 ppm2 1.266 CV 1 ASSI { 4115} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 25 and name HN )) 6.000 4.500 0.000 peak 4115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.795 ppm2 8.984 CV 1 ASSI { 4117} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 25 and name HA )) 6.000 4.500 0.000 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.796 ppm2 3.865 CV 1 ASSI { 4135} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 22 and name HA )) 6.000 4.500 0.000 peak 4135 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.670 ppm2 3.943 CV 1 ASSI { 4136} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 25 and name HG )) 6.000 4.500 0.000 peak 4136 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.666 ppm2 1.916 CV 1 ASSI { 4138} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 105 and name HN )) 6.000 4.500 0.000 peak 4138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.622 ppm2 8.184 CV 1 ASSI { 4141} ( segid " " and resid 106 and name HD1%) ( segid " " and resid 101 and name HD% ) 6.000 4.500 0.000 peak 4141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.614 ppm2 7.000 CV 1 ASSI { 4149} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 4149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.615 ppm2 1.714 CV 1 ASSI { 4151} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 4151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.868 ppm2 8.997 CV 1 ASSI { 4152} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB )) 6.000 4.500 0.000 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.868 ppm2 1.763 CV 1 ASSI { 4153} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG12)) 6.000 4.500 0.000 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.870 ppm2 1.565 CV 1 OR { 4153} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG11)) ASSI { 4156} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 4156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.867 ppm2 7.575 CV 1 ASSI { 4157} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 35 and name HN )) 6.000 4.500 0.000 peak 4157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.864 ppm2 7.342 CV 1 ASSI { 4159} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 25 and name HB2 )) 6.000 4.500 0.000 peak 4159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.863 ppm2 2.112 CV 1 ASSI { 4161} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 25 and name HB1 )) 6.000 4.500 0.000 peak 4161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.867 ppm2 1.234 CV 1 ASSI { 4} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HN )) 6.000 4.500 0.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.274 ppm2 8.753 CV 1 OR { 4} (( segid " " and resid 3 and name HN )) (( segid " " and resid 61 and name HN )) ASSI { 10} (( segid " " and resid 3 and name HN )) (( segid " " and resid 102 and name HA2 )) 6.000 4.500 0.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.273 ppm2 3.875 CV 1 OR { 10} (( segid " " and resid 3 and name HN )) (( segid " " and resid 102 and name HA1 )) OR { 10} (( segid " " and resid 3 and name HN )) (( segid " " and resid 33 and name HA )) ASSI { 11} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.277 ppm2 1.759 CV 1 OR { 11} (( segid " " and resid 3 and name HN )) (( segid " " and resid 61 and name HB2 )) ASSI { 14} (( segid " " and resid 3 and name HN )) (( segid " " and resid 60 and name HB2 )) 6.000 4.500 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.275 ppm2 0.999 CV 1 OR { 14} (( segid " " and resid 3 and name HN )) ( segid " " and resid 132 and name HB% ) OR { 14} (( segid " " and resid 3 and name HN )) (( segid " " and resid 69 and name HG )) ASSI { 15} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HG2%) 6.000 4.500 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.277 ppm2 0.779 CV 1 OR { 15} (( segid " " and resid 3 and name HN )) ( segid " " and resid 98 and name HG2%) ASSI { 25} (( segid " " and resid 6 and name HN )) (( segid " " and resid 99 and name HG1 )) 6.000 4.500 0.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.974 ppm2 2.191 CV 1 OR { 25} (( segid " " and resid 6 and name HN )) (( segid " " and resid 69 and name HB1 )) ASSI { 27} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG11)) 6.000 4.500 0.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.974 ppm2 1.078 CV 1 OR { 27} (( segid " " and resid 6 and name HN )) ( segid " " and resid 73 and name HG2%) ASSI { 32} (( segid " " and resid 6 and name HN )) (( segid " " and resid 99 and name HB2 )) 6.000 4.500 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.967 ppm2 2.311 CV 1 OR { 32} (( segid " " and resid 6 and name HN )) (( segid " " and resid 97 and name HB2 )) OR { 32} (( segid " " and resid 6 and name HN )) (( segid " " and resid 99 and name HB1 )) ASSI { 33} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.970 ppm2 1.751 CV 1 OR { 33} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB )) ASSI { 37} (( segid " " and resid 6 and name HN )) (( segid " " and resid 97 and name HN )) 6.000 4.500 0.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.966 ppm2 8.828 CV 1 OR { 37} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HN )) ASSI { 39} (( segid " " and resid 6 and name HN )) (( segid " " and resid 98 and name HB )) 6.000 4.500 0.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.968 ppm2 2.077 CV 1 OR { 39} (( segid " " and resid 6 and name HN )) (( segid " " and resid 124 and name HB1 )) OR { 39} (( segid " " and resid 6 and name HN )) (( segid " " and resid 124 and name HB2 )) ASSI { 40} (( segid " " and resid 6 and name HN )) (( segid " " and resid 98 and name HG12)) 6.000 4.500 0.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.967 ppm2 1.907 CV 1 OR { 40} (( segid " " and resid 6 and name HN )) (( segid " " and resid 25 and name HG )) ASSI { 41} (( segid " " and resid 6 and name HN )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.968 ppm2 0.969 CV 1 OR { 41} (( segid " " and resid 6 and name HN )) (( segid " " and resid 98 and name HG11)) OR { 41} (( segid " " and resid 6 and name HN )) ( segid " " and resid 58 and name HG1%) OR { 41} (( segid " " and resid 6 and name HN )) ( segid " " and resid 69 and name HD2%) OR { 41} (( segid " " and resid 6 and name HN )) ( segid " " and resid 69 and name HD1%) ASSI { 55} (( segid " " and resid 96 and name HN )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.552 ppm2 0.817 CV 1 OR { 55} (( segid " " and resid 96 and name HN )) ( segid " " and resid 98 and name HG2%) ASSI { 82} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 6.000 4.500 0.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.415 ppm2 4.292 CV 1 OR { 82} (( segid " " and resid 106 and name HN )) (( segid " " and resid 113 and name HA )) ASSI { 83} (( segid " " and resid 106 and name HN )) (( segid " " and resid 114 and name HG1 )) 6.000 4.500 0.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.417 ppm2 2.424 CV 1 OR { 83} (( segid " " and resid 106 and name HN )) (( segid " " and resid 138 and name HB1 )) ASSI { 84} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB )) 6.000 4.500 0.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.416 ppm2 2.003 CV 1 OR { 84} (( segid " " and resid 106 and name HN )) (( segid " " and resid 114 and name HG2 )) OR { 84} (( segid " " and resid 106 and name HN )) (( segid " " and resid 138 and name HG1 )) ASSI { 88} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HG12)) 6.000 4.500 0.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.416 ppm2 1.030 CV 1 OR { 88} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HG11)) OR { 88} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HG1%) OR { 88} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HG2%) ASSI { 96} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HB1 )) 6.000 4.500 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.416 ppm2 2.383 CV 1 OR { 96} (( segid " " and resid 106 and name HN )) (( segid " " and resid 138 and name HB1 )) ASSI { 103} (( segid " " and resid 132 and name HN )) ( segid " " and resid 129 and name HD% ) 6.000 4.500 0.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.322 ppm2 7.223 CV 1 OR { 103} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HN )) ASSI { 111} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HA )) 6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.325 ppm2 4.115 CV 1 OR { 111} (( segid " " and resid 132 and name HN )) (( segid " " and resid 35 and name HB )) ASSI { 112} (( segid " " and resid 132 and name HN )) (( segid " " and resid 129 and name HA )) 6.000 4.500 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 3.861 CV 1 OR { 112} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HA )) ASSI { 115} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.320 ppm2 2.648 CV 1 OR { 115} (( segid " " and resid 132 and name HN )) (( segid " " and resid 142 and name HG2 )) ASSI { 117} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.323 ppm2 2.271 CV 1 OR { 117} (( segid " " and resid 132 and name HN )) (( segid " " and resid 134 and name HB2 )) OR { 117} (( segid " " and resid 132 and name HN )) (( segid " " and resid 142 and name HB2 )) OR { 117} (( segid " " and resid 132 and name HN )) (( segid " " and resid 99 and name HB2 )) ASSI { 123} (( segid " " and resid 132 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.320 ppm2 1.338 CV 1 OR { 123} (( segid " " and resid 132 and name HN )) (( segid " " and resid 135 and name HB1 )) OR { 123} (( segid " " and resid 132 and name HN )) (( segid " " and resid 143 and name HB1 )) ASSI { 124} (( segid " " and resid 132 and name HN )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.320 ppm2 1.240 CV 1 OR { 124} (( segid " " and resid 132 and name HN )) ( segid " " and resid 35 and name HG2%) ASSI { 135} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB )) 6.000 4.500 0.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.156 ppm2 1.759 CV 1 OR { 135} (( segid " " and resid 34 and name HN )) (( segid " " and resid 61 and name HB2 )) ASSI { 136} (( segid " " and resid 34 and name HN )) (( segid " " and resid 60 and name HB2 )) 6.000 4.500 0.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.161 ppm2 0.982 CV 1 OR { 136} (( segid " " and resid 34 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 137} (( segid " " and resid 34 and name HN )) (( segid " " and resid 36 and name HB )) 6.000 4.500 0.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.150 ppm2 1.946 CV 1 OR { 137} (( segid " " and resid 34 and name HN )) (( segid " " and resid 58 and name HB )) OR { 137} (( segid " " and resid 34 and name HN )) (( segid " " and resid 25 and name HG )) ASSI { 139} (( segid " " and resid 61 and name HN )) (( segid " " and resid 34 and name HN )) 6.000 4.500 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 9.174 CV 1 OR { 139} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) ASSI { 144} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA )) 6.000 4.500 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 4.736 CV 1 OR { 144} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 152} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 1.274 CV 1 OR { 152} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB1 )) ASSI { 154} (( segid " " and resid 61 and name HN )) (( segid " " and resid 34 and name HG )) 6.000 4.500 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.790 ppm2 0.793 CV 1 OR { 154} (( segid " " and resid 61 and name HN )) ( segid " " and resid 28 and name HD1%) OR { 154} (( segid " " and resid 61 and name HN )) ( segid " " and resid 25 and name HD1%) ASSI { 156} (( segid " " and resid 61 and name HN )) ( segid " " and resid 62 and name HG2%) 6.000 4.500 0.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.784 ppm2 1.118 CV 1 OR { 156} (( segid " " and resid 61 and name HN )) (( segid " " and resid 5 and name HG11)) ASSI { 158} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HN )) 6.000 4.500 0.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.604 ppm2 9.169 CV 1 OR { 158} (( segid " " and resid 59 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 161} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB )) 6.000 4.500 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.604 ppm2 1.958 CV 1 OR { 161} (( segid " " and resid 59 and name HN )) (( segid " " and resid 127 and name HB2 )) ASSI { 173} (( segid " " and resid 59 and name HN )) ( segid " " and resid 33 and name HD1%) 6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.602 ppm2 0.855 CV 1 OR { 173} (( segid " " and resid 59 and name HN )) ( segid " " and resid 5 and name HG2%) ASSI { 175} (( segid " " and resid 34 and name HN )) (( segid " " and resid 58 and name HA )) 6.000 4.500 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.166 ppm2 4.915 CV 1 OR { 175} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HA )) ASSI { 183} (( segid " " and resid 34 and name HN )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 1.234 CV 1 OR { 183} (( segid " " and resid 34 and name HN )) ( segid " " and resid 35 and name HG2%) OR { 183} (( segid " " and resid 34 and name HN )) (( segid " " and resid 25 and name HB2 )) ASSI { 184} (( segid " " and resid 34 and name HN )) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.152 ppm2 1.109 CV 1 OR { 184} (( segid " " and resid 34 and name HN )) (( segid " " and resid 5 and name HG11)) OR { 184} (( segid " " and resid 34 and name HN )) ( segid " " and resid 62 and name HG2%) ASSI { 185} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HG2%) 6.000 4.500 0.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.158 ppm2 0.786 CV 1 OR { 185} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG )) ASSI { 188} (( segid " " and resid 2 and name HN )) (( segid " " and resid 3 and name HN )) 6.000 4.500 0.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.754 ppm2 9.266 CV 1 OR { 188} (( segid " " and resid 2 and name HN )) (( segid " " and resid 103 and name HN )) ASSI { 208} (( segid " " and resid 99 and name HN )) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.599 ppm2 1.198 CV 1 OR { 208} (( segid " " and resid 99 and name HN )) (( segid " " and resid 128 and name HB2 )) ASSI { 224} (( segid " " and resid 99 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 6.000 0.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.582 ppm2 0.291 CV 1 OR { 224} (( segid " " and resid 99 and name HN )) ( segid " " and resid 111 and name HD1%) ASSI { 227} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 6.000 4.500 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.346 ppm2 4.311 CV 1 OR { 227} (( segid " " and resid 113 and name HN )) (( segid " " and resid 106 and name HA )) ASSI { 234} (( segid " " and resid 60 and name HN )) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.338 ppm2 3.886 CV 1 OR { 234} (( segid " " and resid 60 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 237} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB1 )) 6.000 4.500 0.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.333 ppm2 1.833 CV 1 OR { 237} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB )) ASSI { 239} (( segid " " and resid 113 and name HN )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.341 ppm2 1.432 CV 1 OR { 239} (( segid " " and resid 113 and name HN )) (( segid " " and resid 106 and name HB )) ASSI { 243} (( segid " " and resid 113 and name HN )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.337 ppm2 0.294 CV 1 OR { 243} (( segid " " and resid 60 and name HN )) ( segid " " and resid 111 and name HD1%) ASSI { 251} (( segid " " and resid 60 and name HN )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.328 ppm2 1.239 CV 1 OR { 251} (( segid " " and resid 60 and name HN )) ( segid " " and resid 3 and name HB% ) ASSI { 252} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB2 )) 6.000 4.500 0.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.332 ppm2 0.993 CV 1 OR { 252} (( segid " " and resid 113 and name HN )) ( segid " " and resid 105 and name HG1%) OR { 252} (( segid " " and resid 113 and name HN )) ( segid " " and resid 105 and name HG2%) ASSI { 277} (( segid " " and resid 136 and name HN )) ( segid " " and resid 100 and name HD1%) 6.000 4.500 0.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.411 ppm2 0.682 CV 1 OR { 277} (( segid " " and resid 143 and name HN )) (( segid " " and resid 147 and name HB1 )) ASSI { 279} (( segid " " and resid 136 and name HN )) (( segid " " and resid 141 and name HN )) 6.000 4.500 0.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.401 ppm2 7.966 CV 1 OR { 279} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HN )) ASSI { 282} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.405 ppm2 3.836 CV 1 OR { 282} (( segid " " and resid 143 and name HN )) (( segid " " and resid 125 and name HA )) ASSI { 284} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.403 ppm2 1.728 CV 1 OR { 284} (( segid " " and resid 143 and name HN )) (( segid " " and resid 135 and name HB2 )) ASSI { 285} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HG )) 6.000 4.500 0.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.405 ppm2 1.210 CV 1 OR { 285} (( segid " " and resid 143 and name HN )) (( segid " " and resid 135 and name HG )) OR { 285} (( segid " " and resid 143 and name HN )) (( segid " " and resid 128 and name HB2 )) ASSI { 287} (( segid " " and resid 136 and name HN )) ( segid " " and resid 135 and name HD2%) 6.000 4.500 0.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.405 ppm2 0.370 CV 1 OR { 287} (( segid " " and resid 143 and name HN )) ( segid " " and resid 135 and name HD2%) ASSI { 288} (( segid " " and resid 136 and name HN )) ( segid " " and resid 135 and name HD1%) 6.000 4.500 0.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.404 ppm2 0.093 CV 1 OR { 288} (( segid " " and resid 143 and name HN )) ( segid " " and resid 135 and name HD1%) ASSI { 300} (( segid " " and resid 98 and name HN )) (( segid " " and resid 111 and name HG )) 6.000 4.500 0.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.994 ppm2 1.057 CV 1 OR { 300} (( segid " " and resid 98 and name HN )) ( segid " " and resid 100 and name HD2%) ASSI { 301} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HG11)) 6.000 4.500 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.990 ppm2 0.945 CV 1 OR { 301} (( segid " " and resid 98 and name HN )) ( segid " " and resid 69 and name HD2%) ASSI { 302} (( segid " " and resid 98 and name HN )) ( segid " " and resid 98 and name HG2%) 6.000 4.500 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.991 ppm2 0.813 CV 1 OR { 302} (( segid " " and resid 98 and name HN )) ( segid " " and resid 5 and name HG2%) ASSI { 360} (( segid " " and resid 136 and name HN )) (( segid " " and resid 141 and name HA )) 6.000 4.500 0.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.410 ppm2 4.309 CV 1 OR { 360} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HA )) ASSI { 391} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HA )) 6.000 4.500 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.193 ppm2 4.670 CV 1 OR { 391} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HB )) ASSI { 396} (( segid " " and resid 107 and name HN )) (( segid " " and resid 114 and name HG2 )) 6.000 4.500 0.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.193 ppm2 2.010 CV 1 OR { 396} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HB )) ASSI { 431} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA )) 6.000 4.500 0.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.704 ppm2 4.309 CV 1 OR { 431} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 450} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB2 )) 6.000 4.500 0.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.791 ppm2 1.996 CV 1 OR { 450} (( segid " " and resid 101 and name HN )) (( segid " " and resid 138 and name HG1 )) OR { 450} (( segid " " and resid 101 and name HN )) (( segid " " and resid 138 and name HG2 )) ASSI { 498} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.843 ppm2 1.592 CV 1 OR { 498} (( segid " " and resid 97 and name HN )) (( segid " " and resid 100 and name HG )) ASSI { 517} (( segid " " and resid 5 and name HN )) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.534 ppm2 8.600 CV 1 OR { 517} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HN )) ASSI { 520} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 6.000 4.500 0.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.529 ppm2 4.947 CV 1 OR { 520} (( segid " " and resid 5 and name HN )) (( segid " " and resid 58 and name HA )) OR { 520} (( segid " " and resid 5 and name HN )) (( segid " " and resid 3 and name HA )) ASSI { 522} (( segid " " and resid 5 and name HN )) (( segid " " and resid 58 and name HB )) 6.000 4.500 0.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.532 ppm2 1.971 CV 1 OR { 522} (( segid " " and resid 5 and name HN )) (( segid " " and resid 128 and name HB1 )) ASSI { 523} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.530 ppm2 1.742 CV 1 OR { 523} (( segid " " and resid 5 and name HN )) ( segid " " and resid 6 and name HB% ) ASSI { 527} (( segid " " and resid 5 and name HN )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.532 ppm2 0.970 CV 1 OR { 527} (( segid " " and resid 5 and name HN )) (( segid " " and resid 98 and name HG11)) OR { 527} (( segid " " and resid 5 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 528} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.530 ppm2 0.837 CV 1 OR { 528} (( segid " " and resid 5 and name HN )) ( segid " " and resid 25 and name HD2%) OR { 528} (( segid " " and resid 5 and name HN )) ( segid " " and resid 25 and name HD1%) ASSI { 529} (( segid " " and resid 5 and name HN )) (( segid " " and resid 58 and name HN )) 6.000 4.500 0.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.524 ppm2 9.152 CV 1 OR { 529} (( segid " " and resid 5 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 532} (( segid " " and resid 5 and name HN )) (( segid " " and resid 98 and name HB )) 6.000 4.500 0.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.528 ppm2 2.057 CV 1 OR { 532} (( segid " " and resid 5 and name HN )) (( segid " " and resid 28 and name HG11)) OR { 532} (( segid " " and resid 5 and name HN )) (( segid " " and resid 28 and name HG12)) ASSI { 540} (( segid " " and resid 97 and name HN )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.844 ppm2 1.757 CV 1 OR { 540} (( segid " " and resid 97 and name HN )) (( segid " " and resid 5 and name HB )) ASSI { 560} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HA )) 6.000 4.500 0.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.704 ppm2 4.225 CV 1 OR { 560} (( segid " " and resid 112 and name HN )) (( segid " " and resid 104 and name HA )) ASSI { 581} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 6.000 4.500 0.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.225 ppm2 4.305 CV 1 OR { 581} (( segid " " and resid 137 and name HN )) (( segid " " and resid 141 and name HA )) ASSI { 583} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.220 ppm2 3.837 CV 1 OR { 583} (( segid " " and resid 137 and name HN )) (( segid " " and resid 125 and name HA )) ASSI { 589} (( segid " " and resid 137 and name HN )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.216 ppm2 2.266 CV 1 OR { 589} (( segid " " and resid 137 and name HN )) (( segid " " and resid 142 and name HB2 )) ASSI { 604} (( segid " " and resid 137 and name HN )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 604 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.220 ppm2 2.058 CV 1 OR { 604} (( segid " " and resid 137 and name HN )) (( segid " " and resid 142 and name HB1 )) ASSI { 618} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HD2 )) 6.000 4.500 0.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.686 ppm2 3.687 CV 1 OR { 618} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB1 )) ASSI { 620} (( segid " " and resid 115 and name HN )) (( segid " " and resid 107 and name HB1 )) 6.000 4.500 0.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.687 ppm2 2.693 CV 1 OR { 620} (( segid " " and resid 115 and name HN )) (( segid " " and resid 103 and name HB2 )) ASSI { 623} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HG2 )) 6.000 4.500 0.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.683 ppm2 2.025 CV 1 OR { 623} (( segid " " and resid 115 and name HN )) (( segid " " and resid 138 and name HG1 )) ASSI { 624} (( segid " " and resid 115 and name HN )) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.686 ppm2 1.859 CV 1 OR { 624} (( segid " " and resid 115 and name HN )) (( segid " " and resid 138 and name HB2 )) ASSI { 644} (( segid " " and resid 10 and name HN )) (( segid " " and resid 17 and name HN )) 6.000 4.500 0.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.296 ppm2 8.157 CV 1 OR { 644} (( segid " " and resid 10 and name HN )) (( segid " " and resid 15 and name HN )) ASSI { 650} (( segid " " and resid 36 and name HN )) (( segid " " and resid 131 and name HA )) 6.000 4.500 0.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.297 ppm2 4.491 CV 1 OR { 650} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HA )) ASSI { 651} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HA )) 6.000 4.500 0.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.298 ppm2 4.245 CV 1 OR { 651} (( segid " " and resid 10 and name HN )) (( segid " " and resid 17 and name HA )) ASSI { 660} (( segid " " and resid 36 and name HN )) ( segid " " and resid 58 and name HG1%) 6.000 4.500 0.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.295 ppm2 0.972 CV 1 OR { 660} (( segid " " and resid 36 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 660} (( segid " " and resid 36 and name HN )) ( segid " " and resid 132 and name HB% ) ASSI { 661} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.298 ppm2 0.852 CV 1 OR { 661} (( segid " " and resid 36 and name HN )) ( segid " " and resid 33 and name HD1%) ASSI { 662} (( segid " " and resid 36 and name HN )) ( segid " " and resid 33 and name HG2%) 6.000 4.500 0.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.295 ppm2 0.786 CV 1 OR { 662} (( segid " " and resid 10 and name HN )) (( segid " " and resid 94 and name HG )) ASSI { 663} (( segid " " and resid 10 and name HN )) (( segid " " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.296 ppm2 0.634 CV 1 OR { 663} (( segid " " and resid 10 and name HN )) ( segid " " and resid 18 and name HG2%) ASSI { 667} (( segid " " and resid 36 and name HN )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.287 ppm2 1.478 CV 1 OR { 667} (( segid " " and resid 36 and name HN )) ( segid " " and resid 56 and name HB% ) OR { 667} (( segid " " and resid 10 and name HN )) ( segid " " and resid 21 and name HB% ) OR { 667} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HB )) ASSI { 672} (( segid " " and resid 28 and name HN )) (( segid " " and resid 25 and name HA )) 6.000 4.500 0.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.127 ppm2 3.872 CV 1 OR { 672} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HA2 )) ASSI { 689} (( segid " " and resid 153 and name HN )) (( segid " " and resid 151 and name HA )) 6.000 4.500 0.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.805 ppm2 4.086 CV 1 OR { 689} (( segid " " and resid 153 and name HN )) (( segid " " and resid 122 and name HA2 )) ASSI { 711} (( segid " " and resid 28 and name HN )) (( segid " " and resid 24 and name HA )) 6.000 4.500 0.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.126 ppm2 4.172 CV 1 OR { 711} (( segid " " and resid 28 and name HN )) (( segid " " and resid 69 and name HA )) ASSI { 728} (( segid " " and resid 33 and name HN )) (( segid " " and resid 26 and name HA2 )) 6.000 4.500 0.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.177 ppm2 3.879 CV 1 OR { 728} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) ASSI { 742} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HG2%) 6.000 4.500 0.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.175 ppm2 0.771 CV 1 OR { 742} (( segid " " and resid 33 and name HN )) ( segid " " and resid 28 and name HD1%) ASSI { 757} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 6.000 4.500 0.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.196 ppm2 8.584 CV 1 OR { 757} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HN )) ASSI { 764} (( segid " " and resid 20 and name HN )) (( segid " " and resid 80 and name HB1 )) 6.000 4.500 0.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.196 ppm2 2.320 CV 1 OR { 764} (( segid " " and resid 20 and name HN )) (( segid " " and resid 80 and name HB2 )) OR { 764} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HG2 )) ASSI { 770} (( segid " " and resid 20 and name HN )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.193 ppm2 0.849 CV 1 OR { 770} (( segid " " and resid 20 and name HN )) ( segid " " and resid 22 and name HD1%) ASSI { 772} (( segid " " and resid 20 and name HN )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.194 ppm2 0.660 CV 1 OR { 772} (( segid " " and resid 20 and name HN )) ( segid " " and resid 7 and name HD1%) ASSI { 780} (( segid " " and resid 41 and name HN )) (( segid " " and resid 54 and name HA )) 6.000 4.500 0.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.934 ppm2 5.369 CV 1 OR { 780} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 784} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) 6.000 4.500 0.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.933 ppm2 3.092 CV 1 OR { 784} (( segid " " and resid 41 and name HN )) (( segid " " and resid 158 and name HB2 )) ASSI { 785} (( segid " " and resid 41 and name HN )) (( segid " " and resid 158 and name HB1 )) 6.000 4.500 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.933 ppm2 2.828 CV 1 OR { 785} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB1 )) ASSI { 787} (( segid " " and resid 41 and name HN )) (( segid " " and resid 155 and name HB2 )) 6.000 4.500 0.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.933 ppm2 1.502 CV 1 OR { 787} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG2 )) ASSI { 789} (( segid " " and resid 41 and name HN )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.934 ppm2 0.925 CV 1 OR { 789} (( segid " " and resid 41 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 797} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.595 ppm2 4.186 CV 1 OR { 797} (( segid " " and resid 21 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 798} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 6.000 4.500 0.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.597 ppm2 3.968 CV 1 OR { 798} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 816} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HA )) 6.000 4.500 0.000 peak 816 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.196 ppm2 3.955 CV 1 OR { 816} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 821} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.198 ppm2 2.084 CV 1 OR { 821} (( segid " " and resid 20 and name HN )) (( segid " " and resid 76 and name HG11)) OR { 821} (( segid " " and resid 20 and name HN )) (( segid " " and resid 76 and name HG12)) ASSI { 831} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HB2 )) 6.000 4.500 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.597 ppm2 2.102 CV 1 OR { 831} (( segid " " and resid 21 and name HN )) (( segid " " and resid 76 and name HG11)) OR { 831} (( segid " " and resid 21 and name HN )) (( segid " " and resid 76 and name HG12)) ASSI { 832} (( segid " " and resid 21 and name HN )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.593 ppm2 1.879 CV 1 OR { 832} (( segid " " and resid 21 and name HN )) (( segid " " and resid 76 and name HB )) OR { 832} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HG )) ASSI { 833} (( segid " " and resid 21 and name HN )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.597 ppm2 0.851 CV 1 OR { 833} (( segid " " and resid 21 and name HN )) ( segid " " and resid 22 and name HD1%) ASSI { 849} (( segid " " and resid 64 and name HN )) (( segid " " and resid 30 and name HB1 )) 6.000 4.500 0.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.551 ppm2 2.389 CV 1 OR { 849} (( segid " " and resid 64 and name HN )) (( segid " " and resid 29 and name HB2 )) OR { 849} (( segid " " and resid 64 and name HN )) (( segid " " and resid 68 and name HG1 )) ASSI { 850} (( segid " " and resid 64 and name HN )) (( segid " " and resid 30 and name HG2 )) 6.000 4.500 0.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.547 ppm2 2.160 CV 1 OR { 850} (( segid " " and resid 64 and name HN )) (( segid " " and resid 68 and name HB1 )) ASSI { 851} (( segid " " and resid 64 and name HN )) (( segid " " and resid 30 and name HB2 )) 6.000 4.500 0.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.550 ppm2 2.016 CV 1 OR { 851} (( segid " " and resid 64 and name HN )) (( segid " " and resid 29 and name HG2 )) ASSI { 863} (( segid " " and resid 117 and name HN )) (( segid " " and resid 119 and name HN )) 6.000 4.500 0.000 peak 863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.307 ppm2 8.070 CV 1 OR { 863} (( segid " " and resid 117 and name HN )) (( segid " " and resid 120 and name HD21)) ASSI { 888} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB2 )) 6.000 4.500 0.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.268 ppm2 2.274 CV 1 OR { 888} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HG1 )) ASSI { 889} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB1 )) 6.000 4.500 0.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.268 ppm2 2.066 CV 1 OR { 889} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HG2 )) ASSI { 892} (( segid " " and resid 142 and name HN )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.271 ppm2 1.609 CV 1 OR { 892} (( segid " " and resid 142 and name HN )) (( segid " " and resid 133 and name HB1 )) OR { 892} (( segid " " and resid 142 and name HN )) (( segid " " and resid 144 and name HG2 )) ASSI { 896} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) 6.000 4.500 0.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.264 ppm2 8.409 CV 1 OR { 896} (( segid " " and resid 142 and name HN )) (( segid " " and resid 136 and name HN )) ASSI { 923} (( segid " " and resid 37 and name HN )) (( segid " " and resid 58 and name HA )) 6.000 4.500 0.000 peak 923 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.210 ppm2 4.948 CV 1 OR { 923} (( segid " " and resid 37 and name HN )) (( segid " " and resid 56 and name HA )) ASSI { 931} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB )) 6.000 4.500 0.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 1.945 CV 1 OR { 931} (( segid " " and resid 37 and name HN )) (( segid " " and resid 127 and name HB2 )) ASSI { 932} (( segid " " and resid 37 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.210 ppm2 1.334 CV 1 OR { 932} (( segid " " and resid 37 and name HN )) ( segid " " and resid 36 and name HG2%) ASSI { 940} (( segid " " and resid 12 and name HN )) (( segid " " and resid 91 and name HG2 )) 6.000 4.500 0.000 peak 940 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.260 ppm2 2.042 CV 1 OR { 940} (( segid " " and resid 12 and name HN )) (( segid " " and resid 16 and name HB2 )) ASSI { 944} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HD1 )) 6.000 4.500 0.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.594 ppm2 3.842 CV 1 OR { 944} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HD2 )) OR { 944} (( segid " " and resid 42 and name HN )) (( segid " " and resid 158 and name HA )) ASSI { 945} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HB2 )) 6.000 4.500 0.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.599 ppm2 2.841 CV 1 OR { 945} (( segid " " and resid 42 and name HN )) (( segid " " and resid 156 and name HB1 )) ASSI { 956} (( segid " " and resid 57 and name HN )) (( segid " " and resid 37 and name HN )) 6.000 4.500 0.000 peak 956 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.487 ppm2 9.197 CV 1 OR { 956} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 970} (( segid " " and resid 57 and name HN )) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.483 ppm2 1.098 CV 1 OR { 970} (( segid " " and resid 57 and name HN )) ( segid " " and resid 22 and name HD2%) ASSI { 976} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HB1 )) 6.000 4.500 0.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.474 ppm2 3.142 CV 1 OR { 976} (( segid " " and resid 57 and name HN )) (( segid " " and resid 127 and name HD1 )) ASSI { 991} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 6.000 4.500 0.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.394 ppm2 2.837 CV 1 OR { 991} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB1 )) ASSI { 993} (( segid " " and resid 40 and name HN )) (( segid " " and resid 157 and name HG2 )) 6.000 4.500 0.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.391 ppm2 1.173 CV 1 OR { 993} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HG1 )) ASSI { 997} (( segid " " and resid 37 and name HN )) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.200 ppm2 1.461 CV 1 OR { 997} (( segid " " and resid 37 and name HN )) (( segid " " and resid 131 and name HG12)) ASSI { 1022} (( segid " " and resid 55 and name HN )) (( segid " " and resid 39 and name HB1 )) 6.000 4.500 0.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.146 ppm2 2.839 CV 1 OR { 1022} (( segid " " and resid 55 and name HN )) (( segid " " and resid 40 and name HB2 )) OR { 1022} (( segid " " and resid 55 and name HN )) (( segid " " and resid 158 and name HB1 )) ASSI { 1040} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HG1 )) 6.000 4.500 0.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 2.173 CV 1 OR { 1040} (( segid " " and resid 65 and name HN )) (( segid " " and resid 68 and name HB1 )) ASSI { 1045} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.376 ppm2 0.749 CV 1 OR { 1045} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HG1 )) ASSI { 1058} (( segid " " and resid 146 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.876 ppm2 4.095 CV 1 OR { 1058} (( segid " " and resid 146 and name HN )) (( segid " " and resid 122 and name HA2 )) ASSI { 1062} (( segid " " and resid 146 and name HN )) (( segid " " and resid 142 and name HB2 )) 6.000 4.500 0.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.880 ppm2 2.285 CV 1 OR { 1062} (( segid " " and resid 146 and name HN )) (( segid " " and resid 141 and name HG1 )) ASSI { 1089} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 1.737 CV 1 OR { 1089} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB1 )) ASSI { 1090} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HB1 )) 6.000 4.500 0.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.245 ppm2 1.599 CV 1 OR { 1090} (( segid " " and resid 135 and name HN )) (( segid " " and resid 100 and name HG )) ASSI { 1098} (( segid " " and resid 56 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.206 ppm2 1.334 CV 1 OR { 1098} (( segid " " and resid 56 and name HN )) ( segid " " and resid 36 and name HG2%) ASSI { 1113} (( segid " " and resid 63 and name HN )) (( segid " " and resid 29 and name HD2 )) 6.000 4.500 0.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.253 ppm2 3.624 CV 1 OR { 1113} (( segid " " and resid 63 and name HN )) (( segid " " and resid 66 and name HD2 )) ASSI { 1114} (( segid " " and resid 63 and name HN )) (( segid " " and resid 30 and name HB1 )) 6.000 4.500 0.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.253 ppm2 2.398 CV 1 OR { 1114} (( segid " " and resid 63 and name HN )) (( segid " " and resid 29 and name HB2 )) ASSI { 1115} (( segid " " and resid 63 and name HN )) (( segid " " and resid 30 and name HG2 )) 6.000 4.500 0.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.254 ppm2 2.157 CV 1 OR { 1115} (( segid " " and resid 63 and name HN )) (( segid " " and resid 68 and name HB1 )) ASSI { 1139} (( segid " " and resid 146 and name HN )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.881 ppm2 1.277 CV 1 OR { 1139} (( segid " " and resid 146 and name HN )) (( segid " " and resid 119 and name HG2 )) ASSI { 1148} (( segid " " and resid 155 and name HN )) (( segid " " and resid 40 and name HB2 )) 6.000 4.500 0.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.445 ppm2 2.848 CV 1 OR { 1148} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HB1 )) ASSI { 1169} (( segid " " and resid 56 and name HN )) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 1.956 CV 1 OR { 1169} (( segid " " and resid 56 and name HN )) (( segid " " and resid 58 and name HB )) ASSI { 1170} (( segid " " and resid 56 and name HN )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.204 ppm2 0.661 CV 1 OR { 1170} (( segid " " and resid 56 and name HN )) ( segid " " and resid 7 and name HD1%) ASSI { 1186} (( segid " " and resid 7 and name HN )) (( segid " " and resid 56 and name HN )) 6.000 4.500 0.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.827 ppm2 9.179 CV 1 OR { 1186} (( segid " " and resid 7 and name HN )) (( segid " " and resid 58 and name HN )) ASSI { 1191} (( segid " " and resid 7 and name HN )) (( segid " " and resid 124 and name HB1 )) 6.000 4.500 0.000 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.828 ppm2 2.075 CV 1 OR { 1191} (( segid " " and resid 7 and name HN )) (( segid " " and resid 96 and name HB1 )) OR { 1191} (( segid " " and resid 7 and name HN )) (( segid " " and resid 124 and name HB2 )) ASSI { 1193} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB )) 6.000 4.500 0.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.829 ppm2 1.463 CV 1 OR { 1193} (( segid " " and resid 7 and name HN )) ( segid " " and resid 56 and name HB% ) ASSI { 1195} (( segid " " and resid 7 and name HN )) (( segid " " and resid 128 and name HB2 )) 6.000 6.000 0.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.832 ppm2 1.219 CV 1 OR { 1195} (( segid " " and resid 7 and name HN )) ( segid " " and resid 59 and name HB% ) OR { 1195} (( segid " " and resid 7 and name HN )) (( segid " " and resid 25 and name HB2 )) ASSI { 1197} (( segid " " and resid 7 and name HN )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.829 ppm2 0.819 CV 1 OR { 1197} (( segid " " and resid 7 and name HN )) ( segid " " and resid 25 and name HD2%) OR { 1197} (( segid " " and resid 7 and name HN )) ( segid " " and resid 25 and name HD1%) ASSI { 1220} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 6.000 4.500 0.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.010 ppm2 3.889 CV 1 OR { 1220} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HA2 )) ASSI { 1222} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HG )) 6.000 4.500 0.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.012 ppm2 1.935 CV 1 OR { 1222} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HB1 )) OR { 1222} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HB2 )) ASSI { 1227} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HA )) 6.000 4.500 0.000 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.005 ppm2 3.951 CV 1 OR { 1227} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HA )) OR { 1227} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 1228} (( segid " " and resid 25 and name HN )) ( segid " " and resid 58 and name HG1%) 6.000 4.500 0.000 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.003 ppm2 0.987 CV 1 OR { 1228} (( segid " " and resid 25 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 1228} (( segid " " and resid 25 and name HN )) (( segid " " and resid 69 and name HG )) OR { 1228} (( segid " " and resid 25 and name HN )) (( segid " " and resid 60 and name HB2 )) ASSI { 1244} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.880 ppm2 2.595 CV 1 OR { 1244} (( segid " " and resid 74 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 1247} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HG12)) 6.000 4.500 0.000 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.883 ppm2 2.071 CV 1 OR { 1247} (( segid " " and resid 74 and name HN )) (( segid " " and resid 96 and name HB1 )) OR { 1247} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HG11)) ASSI { 1248} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.878 ppm2 1.894 CV 1 OR { 1248} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 1249} (( segid " " and resid 74 and name HN )) ( segid " " and resid 24 and name HB% ) 6.000 4.500 0.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.883 ppm2 1.515 CV 1 OR { 1249} (( segid " " and resid 74 and name HN )) (( segid " " and resid 78 and name HB2 )) ASSI { 1251} (( segid " " and resid 74 and name HN )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.879 ppm2 0.710 CV 1 OR { 1251} (( segid " " and resid 74 and name HN )) ( segid " " and resid 94 and name HD2%) OR { 1251} (( segid " " and resid 74 and name HN )) ( segid " " and resid 94 and name HD1%) ASSI { 1293} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HB )) 6.000 4.500 0.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.195 ppm2 1.571 CV 1 OR { 1293} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HB2 )) ASSI { 1295} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HN )) 6.000 4.500 0.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 7.634 CV 1 OR { 1295} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HN )) ASSI { 1305} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG2 )) 6.000 4.500 0.000 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.645 ppm2 2.938 CV 1 OR { 1305} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HB1 )) ASSI { 1306} (( segid " " and resid 75 and name HN )) (( segid " " and resid 71 and name HB1 )) 6.000 4.500 0.000 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.648 ppm2 2.619 CV 1 OR { 1306} (( segid " " and resid 75 and name HN )) (( segid " " and resid 79 and name HG2 )) OR { 1306} (( segid " " and resid 75 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 1319} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) 6.000 4.500 0.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.199 ppm2 2.321 CV 1 OR { 1319} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG1 )) OR { 1319} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG1 )) ASSI { 1321} (( segid " " and resid 17 and name HN )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.191 ppm2 1.856 CV 1 OR { 1321} (( segid " " and resid 17 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 1328} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HD2 )) 6.000 4.500 0.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.079 ppm2 3.310 CV 1 OR { 1328} (( segid " " and resid 76 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 1331} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB )) 6.000 4.500 0.000 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.075 ppm2 1.879 CV 1 OR { 1331} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 1332} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG2 )) 6.000 4.500 0.000 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.077 ppm2 1.525 CV 1 OR { 1332} (( segid " " and resid 76 and name HN )) ( segid " " and resid 24 and name HB% ) OR { 1332} (( segid " " and resid 76 and name HN )) ( segid " " and resid 20 and name HB% ) ASSI { 1351} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 6.000 4.500 0.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.644 ppm2 1.876 CV 1 OR { 1351} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 1353} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG2 )) 6.000 4.500 0.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.641 ppm2 1.549 CV 1 OR { 1353} (( segid " " and resid 75 and name HN )) ( segid " " and resid 24 and name HB% ) ASSI { 1373} (( segid " " and resid 141 and name HN )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.993 ppm2 3.248 CV 1 OR { 1373} (( segid " " and resid 141 and name HN )) (( segid " " and resid 148 and name HB2 )) OR { 1373} (( segid " " and resid 141 and name HN )) (( segid " " and resid 144 and name HD1 )) ASSI { 1404} (( segid " " and resid 62 and name HN )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.216 ppm2 0.514 CV 1 OR { 1404} (( segid " " and resid 62 and name HN )) (( segid " " and resid 66 and name HB1 )) ASSI { 1411} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HA )) 6.000 4.500 0.000 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 4.753 CV 1 OR { 1411} (( segid " " and resid 62 and name HN )) (( segid " " and resid 100 and name HA )) ASSI { 1416} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HG1 )) 6.000 4.500 0.000 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.207 ppm2 2.193 CV 1 OR { 1416} (( segid " " and resid 62 and name HN )) (( segid " " and resid 69 and name HB1 )) ASSI { 1418} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) 6.000 4.500 0.000 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 1.745 CV 1 OR { 1418} (( segid " " and resid 62 and name HN )) (( segid " " and resid 2 and name HB )) ASSI { 1419} (( segid " " and resid 62 and name HN )) (( segid " " and resid 5 and name HG12)) 6.000 4.500 0.000 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.208 ppm2 1.511 CV 1 OR { 1419} (( segid " " and resid 62 and name HN )) (( segid " " and resid 28 and name HB )) ASSI { 1420} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HG )) 6.000 4.500 0.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.211 ppm2 1.254 CV 1 OR { 1420} (( segid " " and resid 62 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 1423} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.209 ppm2 0.769 CV 1 OR { 1423} (( segid " " and resid 62 and name HN )) (( segid " " and resid 66 and name HG1 )) OR { 1423} (( segid " " and resid 62 and name HN )) ( segid " " and resid 98 and name HG2%) ASSI { 1425} (( segid " " and resid 62 and name HN )) (( segid " " and resid 1 and name HB )) 6.000 4.500 0.000 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.200 ppm2 3.551 CV 1 OR { 1425} (( segid " " and resid 62 and name HN )) (( segid " " and resid 31 and name HB1 )) OR { 1425} (( segid " " and resid 62 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 1453} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.168 ppm2 3.624 CV 1 OR { 1453} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HD2 )) OR { 1453} (( segid " " and resid 69 and name HN )) (( segid " " and resid 29 and name HD2 )) ASSI { 1456} (( segid " " and resid 69 and name HN )) (( segid " " and resid 64 and name HB1 )) 6.000 4.500 0.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.168 ppm2 1.728 CV 1 OR { 1456} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HG2 )) ASSI { 1463} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HN )) 6.000 4.500 0.000 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.901 ppm2 8.566 CV 1 OR { 1463} (( segid " " and resid 24 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 1476} (( segid " " and resid 24 and name HN )) (( segid " " and resid 21 and name HA )) 6.000 4.500 0.000 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.899 ppm2 3.967 CV 1 OR { 1476} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 1480} (( segid " " and resid 24 and name HN )) ( segid " " and resid 76 and name HG2%) 6.000 4.500 0.000 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.898 ppm2 0.843 CV 1 OR { 1480} (( segid " " and resid 24 and name HN )) ( segid " " and resid 25 and name HD1%) OR { 1480} (( segid " " and resid 24 and name HN )) ( segid " " and resid 25 and name HD2%) ASSI { 1499} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB1 )) 6.000 4.500 0.000 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.080 ppm2 2.863 CV 1 OR { 1499} (( segid " " and resid 156 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 1517} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HB2 )) 6.000 4.500 0.000 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.169 ppm2 1.848 CV 1 OR { 1517} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HB1 )) OR { 1517} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HB1 )) ASSI { 1521} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 6.000 4.500 0.000 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.748 ppm2 8.568 CV 1 OR { 1521} (( segid " " and resid 23 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 1524} (( segid " " and resid 23 and name HN )) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.754 ppm2 4.195 CV 1 OR { 1524} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HA )) ASSI { 1525} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 6.000 4.500 0.000 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.751 ppm2 3.969 CV 1 OR { 1525} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 1526} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HA )) 6.000 6.000 0.000 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.752 ppm2 3.852 CV 1 OR { 1526} (( segid " " and resid 23 and name HN )) (( segid " " and resid 26 and name HA2 )) ASSI { 1531} (( segid " " and resid 23 and name HN )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.747 ppm2 1.086 CV 1 OR { 1531} (( segid " " and resid 23 and name HN )) ( segid " " and resid 73 and name HG2%) ASSI { 1568} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HA )) 6.000 4.500 0.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.521 ppm2 4.434 CV 1 OR { 1568} (( segid " " and resid 18 and name HN )) (( segid " " and resid 93 and name HA )) ASSI { 1572} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.509 ppm2 4.226 CV 1 OR { 1572} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) ASSI { 1595} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HG1 )) 6.000 4.500 0.000 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.807 ppm2 1.957 CV 1 OR { 1595} (( segid " " and resid 92 and name HN )) (( segid " " and resid 87 and name HB2 )) ASSI { 1606} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HG )) 6.000 4.500 0.000 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.521 ppm2 0.912 CV 1 OR { 1606} (( segid " " and resid 18 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 1606} (( segid " " and resid 18 and name HN )) ( segid " " and resid 96 and name HD2%) OR { 1606} (( segid " " and resid 18 and name HN )) ( segid " " and resid 96 and name HD1%) ASSI { 1618} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HN )) 6.000 4.500 0.000 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 8.306 CV 1 OR { 1618} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HN )) ASSI { 1623} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 6.000 4.500 0.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.551 ppm2 5.034 CV 1 OR { 1623} (( segid " " and resid 151 and name HN )) (( segid " " and resid 120 and name HA )) ASSI { 1625} (( segid " " and resid 151 and name HN )) (( segid " " and resid 147 and name HA )) 6.000 4.500 0.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.551 ppm2 3.685 CV 1 OR { 1625} (( segid " " and resid 118 and name HN )) (( segid " " and resid 115 and name HB1 )) ASSI { 1627} (( segid " " and resid 118 and name HN )) (( segid " " and resid 115 and name HB2 )) 6.000 4.500 0.000 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.551 ppm2 2.985 CV 1 OR { 1627} (( segid " " and resid 118 and name HN )) (( segid " " and resid 120 and name HB2 )) ASSI { 1635} (( segid " " and resid 118 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.551 ppm2 0.471 CV 1 OR { 1635} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HG1 )) ASSI { 1672} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 6.000 4.500 0.000 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.303 ppm2 8.299 CV 1 OR { 1672} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) ASSI { 1682} (( segid " " and resid 129 and name HN )) (( segid " " and resid 133 and name HA )) 6.000 4.500 0.000 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.635 ppm2 4.119 CV 1 OR { 1682} (( segid " " and resid 129 and name HN )) (( segid " " and resid 143 and name HA )) ASSI { 1686} (( segid " " and resid 129 and name HN )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.631 ppm2 1.494 CV 1 OR { 1686} (( segid " " and resid 129 and name HN )) (( segid " " and resid 133 and name HB2 )) ASSI { 1687} (( segid " " and resid 129 and name HN )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.633 ppm2 0.947 CV 1 OR { 1687} (( segid " " and resid 129 and name HN )) (( segid " " and resid 125 and name HB1 )) ASSI { 1692} (( segid " " and resid 129 and name HN )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.623 ppm2 1.587 CV 1 OR { 1692} (( segid " " and resid 129 and name HN )) (( segid " " and resid 133 and name HB1 )) OR { 1692} (( segid " " and resid 129 and name HN )) (( segid " " and resid 144 and name HG2 )) ASSI { 1693} (( segid " " and resid 129 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.623 ppm2 1.322 CV 1 OR { 1693} (( segid " " and resid 129 and name HN )) (( segid " " and resid 143 and name HB1 )) ASSI { 1698} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.517 ppm2 4.242 CV 1 OR { 1698} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA2 )) ASSI { 1703} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB2 )) 6.000 4.500 0.000 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.516 ppm2 2.009 CV 1 OR { 1703} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG2 )) OR { 1703} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG1 )) ASSI { 1719} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HD2 )) 6.000 4.500 0.000 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 3.756 CV 1 OR { 1719} (( segid " " and resid 50 and name HN )) (( segid " " and resid 44 and name HD2 )) ASSI { 1725} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HB2 )) 6.000 4.500 0.000 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 2.003 CV 1 OR { 1725} (( segid " " and resid 50 and name HN )) (( segid " " and resid 44 and name HG1 )) ASSI { 1749} (( segid " " and resid 129 and name HN )) (( segid " " and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.607 ppm2 2.290 CV 1 OR { 1749} (( segid " " and resid 4 and name HN )) (( segid " " and resid 101 and name HB2 )) OR { 1749} (( segid " " and resid 4 and name HN )) (( segid " " and resid 99 and name HB2 )) OR { 1749} (( segid " " and resid 129 and name HN )) (( segid " " and resid 130 and name HG2 )) ASSI { 1750} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.613 ppm2 1.999 CV 1 OR { 1750} (( segid " " and resid 4 and name HN )) (( segid " " and resid 100 and name HB2 )) ASSI { 1751} (( segid " " and resid 4 and name HN )) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.605 ppm2 1.213 CV 1 OR { 1751} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) OR { 1751} (( segid " " and resid 4 and name HN )) ( segid " " and resid 59 and name HB% ) ASSI { 1752} (( segid " " and resid 4 and name HN )) ( segid " " and resid 100 and name HD2%) 6.000 4.500 0.000 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.609 ppm2 1.078 CV 1 OR { 1752} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HG11)) OR { 1752} (( segid " " and resid 129 and name HN )) (( segid " " and resid 125 and name HB2 )) OR { 1752} (( segid " " and resid 4 and name HN )) ( segid " " and resid 62 and name HG2%) ASSI { 1753} (( segid " " and resid 4 and name HN )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.605 ppm2 0.862 CV 1 OR { 1753} (( segid " " and resid 129 and name HN )) (( segid " " and resid 147 and name HG )) OR { 1753} (( segid " " and resid 4 and name HN )) ( segid " " and resid 33 and name HD1%) ASSI { 1754} (( segid " " and resid 4 and name HN )) ( segid " " and resid 100 and name HD1%) 6.000 4.500 0.000 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.608 ppm2 0.664 CV 1 OR { 1754} (( segid " " and resid 4 and name HN )) ( segid " " and resid 60 and name HD2%) ASSI { 1755} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG )) 6.000 4.500 0.000 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.615 ppm2 0.283 CV 1 OR { 1755} (( segid " " and resid 4 and name HN )) (( segid " " and resid 128 and name HG )) ASSI { 1757} (( segid " " and resid 129 and name HN )) (( segid " " and resid 126 and name HN )) 6.000 4.500 0.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.602 ppm2 8.748 CV 1 OR { 1757} (( segid " " and resid 4 and name HN )) (( segid " " and resid 2 and name HN )) ASSI { 1763} (( segid " " and resid 4 and name HN )) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 1.767 CV 1 OR { 1763} (( segid " " and resid 4 and name HN )) (( segid " " and resid 135 and name HB2 )) OR { 1763} (( segid " " and resid 4 and name HN )) (( segid " " and resid 66 and name HG2 )) ASSI { 1764} (( segid " " and resid 4 and name HN )) ( segid " " and resid 2 and name HG1%) 6.000 4.500 0.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.599 ppm2 0.114 CV 1 OR { 1764} (( segid " " and resid 4 and name HN )) ( segid " " and resid 135 and name HD1%) ASSI { 1767} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HN )) 6.000 4.500 0.000 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.849 ppm2 7.555 CV 1 OR { 1767} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HN )) ASSI { 1772} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 6.000 4.500 0.000 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.849 ppm2 4.040 CV 1 OR { 1772} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HA )) ASSI { 1775} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.848 ppm2 1.256 CV 1 OR { 1775} (( segid " " and resid 150 and name HN )) ( segid " " and resid 149 and name HG2%) ASSI { 1778} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HD2 )) 6.000 4.500 0.000 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.842 ppm2 7.001 CV 1 OR { 1778} (( segid " " and resid 150 and name HN )) (( segid " " and resid 121 and name HN )) ASSI { 1790} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.818 ppm2 3.642 CV 1 OR { 1790} (( segid " " and resid 70 and name HN )) (( segid " " and resid 29 and name HD2 )) ASSI { 1792} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.811 ppm2 2.187 CV 1 OR { 1792} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HB1 )) ASSI { 1794} (( segid " " and resid 70 and name HN )) (( segid " " and resid 110 and name HB2 )) 6.000 4.500 0.000 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.814 ppm2 1.608 CV 1 OR { 1794} (( segid " " and resid 70 and name HN )) (( segid " " and resid 96 and name HG )) ASSI { 1795} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.813 ppm2 0.987 CV 1 OR { 1795} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HG )) ASSI { 1796} (( segid " " and resid 70 and name HN )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.812 ppm2 0.773 CV 1 OR { 1796} (( segid " " and resid 70 and name HN )) ( segid " " and resid 28 and name HD1%) OR { 1796} (( segid " " and resid 70 and name HN )) ( segid " " and resid 98 and name HG2%) ASSI { 1809} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HA )) 6.000 4.500 0.000 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 3.815 CV 1 OR { 1809} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HA )) ASSI { 1810} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.036 ppm2 2.552 CV 1 OR { 1810} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HD1 )) ASSI { 1812} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HG2 )) 6.000 4.500 0.000 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.032 ppm2 1.250 CV 1 OR { 1812} (( segid " " and resid 121 and name HN )) (( segid " " and resid 150 and name HB1 )) ASSI { 1820} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HN )) 6.000 4.500 0.000 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.600 ppm2 9.279 CV 1 OR { 1820} (( segid " " and resid 4 and name HN )) (( segid " " and resid 103 and name HN )) ASSI { 1838} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.036 ppm2 2.157 CV 1 OR { 1838} (( segid " " and resid 121 and name HN )) (( segid " " and resid 124 and name HG1 )) OR { 1838} (( segid " " and resid 121 and name HN )) (( segid " " and resid 124 and name HG2 )) ASSI { 1842} (( segid " " and resid 121 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.036 ppm2 0.470 CV 1 OR { 1842} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HG1 )) ASSI { 1849} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.428 ppm2 8.539 CV 1 OR { 1849} (( segid " " and resid 19 and name HN )) (( segid " " and resid 22 and name HN )) ASSI { 1866} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) 6.000 4.500 0.000 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.997 ppm2 2.023 CV 1 OR { 1866} (( segid " " and resid 52 and name HN )) (( segid " " and resid 44 and name HG1 )) ASSI { 1871} (( segid " " and resid 52 and name HN )) (( segid " " and resid 48 and name HE22)) 6.000 4.500 0.000 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.976 ppm2 7.610 CV 1 OR { 1871} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HN )) ASSI { 1876} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HG12)) 6.000 4.500 0.000 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.734 ppm2 2.056 CV 1 OR { 1876} (( segid " " and resid 72 and name HN )) (( segid " " and resid 28 and name HG12)) OR { 1876} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HG11)) OR { 1876} (( segid " " and resid 72 and name HN )) (( segid " " and resid 96 and name HB1 )) ASSI { 1880} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.723 ppm2 7.202 CV 1 OR { 1880} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HD21)) ASSI { 1884} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB )) 6.000 4.500 0.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.721 ppm2 3.884 CV 1 OR { 1884} (( segid " " and resid 72 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 1891} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.728 ppm2 1.859 CV 1 OR { 1891} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 1893} (( segid " " and resid 72 and name HN )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.725 ppm2 0.933 CV 1 OR { 1893} (( segid " " and resid 72 and name HN )) ( segid " " and resid 96 and name HD2%) OR { 1893} (( segid " " and resid 72 and name HN )) ( segid " " and resid 96 and name HD1%) ASSI { 1898} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HN )) 6.000 4.500 0.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.310 ppm2 7.061 CV 1 OR { 1898} (( segid " " and resid 122 and name HN )) ( segid " " and resid 152 and name HD% ) ASSI { 1901} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HD1 )) 6.000 4.500 0.000 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.570 ppm2 1.694 CV 1 OR { 1901} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HD2 )) OR { 1901} (( segid " " and resid 22 and name HN )) (( segid " " and resid 94 and name HB1 )) ASSI { 1907} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HG2 )) 6.000 4.500 0.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.438 ppm2 2.325 CV 1 OR { 1907} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HG1 )) OR { 1907} (( segid " " and resid 19 and name HN )) (( segid " " and resid 80 and name HB1 )) OR { 1907} (( segid " " and resid 19 and name HN )) (( segid " " and resid 80 and name HB2 )) ASSI { 1923} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.298 ppm2 7.626 CV 1 OR { 1923} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HN )) ASSI { 1927} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB )) 6.000 4.500 0.000 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.295 ppm2 1.872 CV 1 OR { 1927} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 1933} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HA )) 6.000 4.500 0.000 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.288 ppm2 4.191 CV 1 OR { 1933} (( segid " " and resid 77 and name HN )) (( segid " " and resid 20 and name HA )) ASSI { 1955} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA2 )) 6.000 4.500 0.000 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 3.879 CV 1 OR { 1955} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 1962} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HG )) 6.000 4.500 0.000 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.316 ppm2 1.936 CV 1 OR { 1962} (( segid " " and resid 27 and name HN )) (( segid " " and resid 58 and name HB )) ASSI { 1963} (( segid " " and resid 27 and name HN )) ( segid " " and resid 24 and name HB% ) 6.000 4.500 0.000 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 1.533 CV 1 OR { 1963} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HB )) ASSI { 1965} (( segid " " and resid 27 and name HN )) ( segid " " and resid 28 and name HD1%) 6.000 4.500 0.000 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.321 ppm2 0.813 CV 1 OR { 1965} (( segid " " and resid 27 and name HN )) ( segid " " and resid 25 and name HD1%) OR { 1965} (( segid " " and resid 27 and name HN )) ( segid " " and resid 25 and name HD2%) ASSI { 1972} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 6.000 4.500 0.000 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.611 ppm2 4.167 CV 1 OR { 1972} (( segid " " and resid 79 and name HN )) (( segid " " and resid 75 and name HA )) OR { 1972} (( segid " " and resid 79 and name HN )) (( segid " " and resid 81 and name HA1 )) ASSI { 1978} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB2 )) 6.000 4.500 0.000 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.615 ppm2 1.540 CV 1 OR { 1978} (( segid " " and resid 79 and name HN )) ( segid " " and resid 20 and name HB% ) ASSI { 1983} (( segid " " and resid 22 and name HN )) ( segid " " and resid 21 and name HB% ) 6.000 4.500 0.000 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.564 ppm2 1.448 CV 1 OR { 1983} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 1985} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HD1%) 6.000 4.500 0.000 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.566 ppm2 0.845 CV 1 OR { 1985} (( segid " " and resid 22 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 1990} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 6.000 4.500 0.000 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.563 ppm2 3.961 CV 1 OR { 1990} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) ASSI { 2022} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.876 ppm2 7.693 CV 1 OR { 2022} (( segid " " and resid 68 and name HN )) (( segid " " and resid 72 and name HN )) ASSI { 2030} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB1 )) 6.000 4.500 0.000 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.875 ppm2 2.173 CV 1 OR { 2030} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HB1 )) ASSI { 2035} (( segid " " and resid 68 and name HN )) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.880 ppm2 0.979 CV 1 OR { 2035} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HG )) ASSI { 2036} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.876 ppm2 0.758 CV 1 OR { 2036} (( segid " " and resid 68 and name HN )) (( segid " " and resid 64 and name HG )) ASSI { 2062} (( segid " " and resid 104 and name HN )) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.333 ppm2 1.017 CV 1 OR { 2062} (( segid " " and resid 104 and name HN )) ( segid " " and resid 105 and name HG1%) OR { 2062} (( segid " " and resid 104 and name HN )) (( segid " " and resid 106 and name HG11)) OR { 2062} (( segid " " and resid 104 and name HN )) (( segid " " and resid 106 and name HG12)) ASSI { 2064} (( segid " " and resid 104 and name HN )) (( segid " " and resid 1 and name HG21)) 6.000 4.500 0.000 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.332 ppm2 0.516 CV 1 OR { 2064} (( segid " " and resid 104 and name HN )) (( segid " " and resid 66 and name HB1 )) ASSI { 2065} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HD21)) 6.000 4.500 0.000 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.327 ppm2 7.001 CV 1 OR { 2065} (( segid " " and resid 104 and name HN )) ( segid " " and resid 101 and name HD% ) ASSI { 2073} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 6.000 4.500 0.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.734 ppm2 4.545 CV 1 OR { 2073} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 2075} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HB2 )) 6.000 4.500 0.000 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.738 ppm2 2.012 CV 1 OR { 2075} (( segid " " and resid 53 and name HN )) (( segid " " and resid 44 and name HG1 )) OR { 2075} (( segid " " and resid 53 and name HN )) (( segid " " and resid 14 and name HG1 )) ASSI { 2082} (( segid " " and resid 53 and name HN )) (( segid " " and resid 44 and name HA )) 6.000 4.500 0.000 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.727 ppm2 4.397 CV 1 OR { 2082} (( segid " " and resid 53 and name HN )) (( segid " " and resid 124 and name HA )) ASSI { 2090} (( segid " " and resid 104 and name HN )) (( segid " " and resid 138 and name HG1 )) 6.000 4.500 0.000 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.335 ppm2 2.024 CV 1 OR { 2090} (( segid " " and resid 104 and name HN )) (( segid " " and resid 100 and name HB2 )) OR { 2090} (( segid " " and resid 104 and name HN )) (( segid " " and resid 138 and name HG2 )) OR { 2090} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HB )) ASSI { 2118} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 6.000 4.500 0.000 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.154 ppm2 4.935 CV 1 OR { 2118} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HA )) ASSI { 2120} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB )) 6.000 4.500 0.000 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.153 ppm2 1.959 CV 1 OR { 2120} (( segid " " and resid 58 and name HN )) (( segid " " and resid 127 and name HB2 )) ASSI { 2121} (( segid " " and resid 58 and name HN )) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.154 ppm2 1.747 CV 1 OR { 2121} (( segid " " and resid 58 and name HN )) ( segid " " and resid 6 and name HB% ) ASSI { 2123} (( segid " " and resid 58 and name HN )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.154 ppm2 1.483 CV 1 OR { 2123} (( segid " " and resid 58 and name HN )) ( segid " " and resid 56 and name HB% ) OR { 2123} (( segid " " and resid 58 and name HN )) (( segid " " and resid 7 and name HB )) ASSI { 2125} (( segid " " and resid 58 and name HN )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.155 ppm2 1.233 CV 1 OR { 2125} (( segid " " and resid 58 and name HN )) ( segid " " and resid 35 and name HG2%) ASSI { 2126} (( segid " " and resid 58 and name HN )) (( segid " " and resid 5 and name HG11)) 6.000 4.500 0.000 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.156 ppm2 1.106 CV 1 OR { 2126} (( segid " " and resid 58 and name HN )) ( segid " " and resid 36 and name HG1%) ASSI { 2128} (( segid " " and resid 58 and name HN )) ( segid " " and resid 25 and name HD2%) 6.000 4.500 0.000 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.154 ppm2 0.840 CV 1 OR { 2128} (( segid " " and resid 58 and name HN )) ( segid " " and resid 5 and name HG2%) ASSI { 2133} (( segid " " and resid 126 and name HN )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.728 ppm2 1.194 CV 1 OR { 2133} (( segid " " and resid 126 and name HN )) ( segid " " and resid 151 and name HB% ) ASSI { 2144} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 6.000 4.500 0.000 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.254 ppm2 4.098 CV 1 OR { 2144} (( segid " " and resid 152 and name HN )) (( segid " " and resid 122 and name HA2 )) ASSI { 2163} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HA )) 6.000 4.500 0.000 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.505 ppm2 3.815 CV 1 OR { 2163} (( segid " " and resid 124 and name HN )) (( segid " " and resid 118 and name HA )) ASSI { 2167} (( segid " " and resid 124 and name HN )) (( segid " " and resid 127 and name HG1 )) 6.000 4.500 0.000 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.503 ppm2 1.405 CV 1 OR { 2167} (( segid " " and resid 124 and name HN )) (( segid " " and resid 121 and name HG1 )) ASSI { 2169} (( segid " " and resid 124 and name HN )) (( segid " " and resid 121 and name HB1 )) 6.000 4.500 0.000 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.500 ppm2 0.946 CV 1 OR { 2169} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HB1 )) ASSI { 2171} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB1 )) 6.000 4.500 0.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.488 ppm2 2.934 CV 1 OR { 2171} (( segid " " and resid 124 and name HN )) (( segid " " and resid 126 and name HB1 )) ASSI { 2172} (( segid " " and resid 124 and name HN )) (( segid " " and resid 121 and name HD2 )) 6.000 4.500 0.000 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.492 ppm2 2.444 CV 1 OR { 2172} (( segid " " and resid 124 and name HN )) (( segid " " and resid 55 and name HB2 )) ASSI { 2182} (( segid " " and resid 126 and name HN )) (( segid " " and resid 123 and name HN )) 6.000 4.500 0.000 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.730 ppm2 7.035 CV 1 OR { 2182} (( segid " " and resid 126 and name HN )) (( segid " " and resid 121 and name HN )) ASSI { 2188} (( segid " " and resid 126 and name HN )) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.729 ppm2 4.072 CV 1 OR { 2188} (( segid " " and resid 126 and name HN )) (( segid " " and resid 143 and name HA )) ASSI { 2193} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 1.936 CV 1 OR { 2193} (( segid " " and resid 126 and name HN )) (( segid " " and resid 118 and name HB2 )) ASSI { 2197} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB2 )) 6.000 4.500 0.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.726 ppm2 1.066 CV 1 OR { 2197} (( segid " " and resid 126 and name HN )) (( segid " " and resid 147 and name HB2 )) ASSI { 2198} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.732 ppm2 0.931 CV 1 OR { 2198} (( segid " " and resid 126 and name HN )) (( segid " " and resid 143 and name HG )) ASSI { 2225} (( segid " " and resid 124 and name HN )) (( segid " " and resid 127 and name HD1 )) 6.000 4.500 0.000 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.500 ppm2 3.176 CV 1 OR { 2225} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB2 )) ASSI { 2240} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HN )) 6.000 4.500 0.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 8.618 CV 1 OR { 2240} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) ASSI { 2241} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 6.000 4.500 0.000 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.622 ppm2 8.306 CV 1 OR { 2241} (( segid " " and resid 130 and name HN )) (( segid " " and resid 132 and name HN )) ASSI { 2244} (( segid " " and resid 130 and name HN )) (( segid " " and resid 127 and name HA )) 6.000 4.500 0.000 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 4.455 CV 1 OR { 2244} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HA )) ASSI { 2249} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB1 )) 6.000 4.500 0.000 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.622 ppm2 1.873 CV 1 OR { 2249} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 2250} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG )) 6.000 4.500 0.000 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.621 ppm2 1.723 CV 1 OR { 2250} (( segid " " and resid 78 and name HN )) (( segid " " and resid 94 and name HB1 )) ASSI { 2266} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HD21)) 6.000 4.500 0.000 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.683 ppm2 7.194 CV 1 OR { 2266} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HD2 )) ASSI { 2270} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 6.000 4.500 0.000 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.686 ppm2 4.301 CV 1 OR { 2270} (( segid " " and resid 71 and name HN )) (( segid " " and resid 68 and name HA )) ASSI { 2271} (( segid " " and resid 71 and name HN )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.689 ppm2 3.626 CV 1 OR { 2271} (( segid " " and resid 71 and name HN )) (( segid " " and resid 29 and name HD2 )) ASSI { 2275} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HG1 )) 6.000 4.500 0.000 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.684 ppm2 2.396 CV 1 OR { 2275} (( segid " " and resid 71 and name HN )) (( segid " " and resid 68 and name HG2 )) ASSI { 2276} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HB1 )) 6.000 4.500 0.000 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.687 ppm2 2.175 CV 1 OR { 2276} (( segid " " and resid 71 and name HN )) (( segid " " and resid 68 and name HB1 )) OR { 2276} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 2278} (( segid " " and resid 71 and name HN )) (( segid " " and resid 110 and name HG2 )) 6.000 4.500 0.000 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.684 ppm2 1.509 CV 1 OR { 2278} (( segid " " and resid 71 and name HN )) (( segid " " and resid 64 and name HB2 )) OR { 2278} (( segid " " and resid 71 and name HN )) ( segid " " and resid 24 and name HB% ) ASSI { 2280} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.690 ppm2 0.995 CV 1 OR { 2280} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HG )) ASSI { 2281} (( segid " " and resid 71 and name HN )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.687 ppm2 0.699 CV 1 OR { 2281} (( segid " " and resid 71 and name HN )) ( segid " " and resid 64 and name HD1%) ASSI { 2284} (( segid " " and resid 71 and name HN )) (( segid " " and resid 110 and name HG2 )) 6.000 4.500 0.000 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.677 ppm2 1.463 CV 1 OR { 2284} (( segid " " and resid 71 and name HN )) (( segid " " and resid 64 and name HB2 )) OR { 2284} (( segid " " and resid 71 and name HN )) ( segid " " and resid 21 and name HB% ) ASSI { 2289} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 6.000 4.500 0.000 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.616 ppm2 3.878 CV 1 OR { 2289} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA )) ASSI { 2291} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 1.214 CV 1 OR { 2291} (( segid " " and resid 130 and name HN )) ( segid " " and resid 59 and name HB% ) OR { 2291} (( segid " " and resid 130 and name HN )) ( segid " " and resid 35 and name HG2%) ASSI { 2299} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.430 ppm2 7.565 CV 1 OR { 2299} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HE21)) ASSI { 2303} (( segid " " and resid 147 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.424 ppm2 4.089 CV 1 OR { 2303} (( segid " " and resid 147 and name HN )) (( segid " " and resid 122 and name HA2 )) ASSI { 2316} (( segid " " and resid 147 and name HN )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.428 ppm2 0.474 CV 1 OR { 2316} (( segid " " and resid 147 and name HN )) (( segid " " and resid 119 and name HG1 )) ASSI { 2349} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.595 ppm2 4.076 CV 1 OR { 2349} (( segid " " and resid 144 and name HN )) (( segid " " and resid 122 and name HA2 )) ASSI { 2362} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HG1 )) 6.000 4.500 0.000 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.592 ppm2 2.788 CV 1 OR { 2362} (( segid " " and resid 144 and name HN )) (( segid " " and resid 122 and name HA1 )) ASSI { 2363} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HG2 )) 6.000 4.500 0.000 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 2.657 CV 1 OR { 2363} (( segid " " and resid 144 and name HN )) (( segid " " and resid 130 and name HB2 )) ASSI { 2368} (( segid " " and resid 144 and name HN )) (( segid " " and resid 125 and name HB2 )) 6.000 4.500 0.000 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.589 ppm2 1.063 CV 1 OR { 2368} (( segid " " and resid 144 and name HN )) (( segid " " and resid 147 and name HB2 )) ASSI { 2369} (( segid " " and resid 144 and name HN )) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.591 ppm2 0.956 CV 1 OR { 2369} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HG )) ASSI { 2372} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 6.000 4.500 0.000 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.996 ppm2 9.147 CV 1 OR { 2372} (( segid " " and resid 32 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 2376} (( segid " " and resid 32 and name HN )) ( segid " " and resid 28 and name HD1%) 6.000 4.500 0.000 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.983 ppm2 0.812 CV 1 OR { 2376} (( segid " " and resid 32 and name HN )) ( segid " " and resid 25 and name HD1%) OR { 2376} (( segid " " and resid 32 and name HN )) ( segid " " and resid 25 and name HD2%) ASSI { 2378} (( segid " " and resid 93 and name HN )) (( segid " " and resid 17 and name HB1 )) 6.000 4.500 0.000 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.886 ppm2 1.972 CV 1 OR { 2378} (( segid " " and resid 93 and name HN )) (( segid " " and resid 87 and name HB2 )) ASSI { 2385} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HN )) 6.000 4.500 0.000 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.566 ppm2 7.863 CV 1 OR { 2385} (( segid " " and resid 148 and name HN )) (( segid " " and resid 150 and name HN )) ASSI { 2392} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HA )) 6.000 4.500 0.000 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.566 ppm2 4.041 CV 1 OR { 2392} (( segid " " and resid 148 and name HN )) (( segid " " and resid 122 and name HA2 )) OR { 2392} (( segid " " and resid 148 and name HN )) (( segid " " and resid 150 and name HA )) ASSI { 2409} (( segid " " and resid 120 and name HD22)) (( segid " " and resid 117 and name HA )) 6.000 4.500 0.000 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.897 ppm2 5.025 CV 1 OR { 2409} (( segid " " and resid 120 and name HD22)) (( segid " " and resid 120 and name HA )) ASSI { 2423} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.746 ppm2 4.099 CV 1 OR { 2423} (( segid " " and resid 145 and name HN )) (( segid " " and resid 122 and name HA2 )) ASSI { 2429} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB1 )) 6.000 4.500 0.000 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.744 ppm2 2.266 CV 1 OR { 2429} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HB2 )) ASSI { 2430} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB1 )) 6.000 4.500 0.000 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.745 ppm2 2.098 CV 1 OR { 2430} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HB1 )) ASSI { 2431} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.741 ppm2 1.796 CV 1 OR { 2431} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB )) ASSI { 2432} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.745 ppm2 1.593 CV 1 OR { 2432} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HG11)) ASSI { 2433} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HB1 )) 6.000 4.500 0.000 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.743 ppm2 1.375 CV 1 OR { 2433} (( segid " " and resid 145 and name HN )) (( segid " " and resid 154 and name HB2 )) OR { 2433} (( segid " " and resid 145 and name HN )) (( segid " " and resid 154 and name HB1 )) OR { 2433} (( segid " " and resid 145 and name HN )) (( segid " " and resid 154 and name HD2 )) ASSI { 2434} (( segid " " and resid 145 and name HN )) (( segid " " and resid 125 and name HB2 )) 6.000 4.500 0.000 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.744 ppm2 1.089 CV 1 OR { 2434} (( segid " " and resid 145 and name HN )) (( segid " " and resid 147 and name HB2 )) ASSI { 2436} (( segid " " and resid 145 and name HN )) ( segid " " and resid 146 and name HD1%) 6.000 4.500 0.000 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.745 ppm2 0.478 CV 1 OR { 2436} (( segid " " and resid 145 and name HN )) ( segid " " and resid 125 and name HD1%) ASSI { 2438} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HB2 )) 6.000 4.500 0.000 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.737 ppm2 3.247 CV 1 OR { 2438} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HD1 )) OR { 2438} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HD2 )) ASSI { 2447} (( segid " " and resid 32 and name HN )) (( segid " " and resid 61 and name HB2 )) 6.000 4.500 0.000 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.982 ppm2 1.738 CV 1 OR { 2447} (( segid " " and resid 32 and name HN )) (( segid " " and resid 64 and name HB1 )) ASSI { 2448} (( segid " " and resid 32 and name HN )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.984 ppm2 1.540 CV 1 OR { 2448} (( segid " " and resid 32 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 2458} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HA )) 6.000 4.500 0.000 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.073 ppm2 5.019 CV 1 OR { 2458} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HA )) ASSI { 2466} (( segid " " and resid 125 and name HN )) (( segid " " and resid 122 and name HA2 )) 6.000 4.500 0.000 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.491 ppm2 4.085 CV 1 OR { 2466} (( segid " " and resid 125 and name HN )) (( segid " " and resid 143 and name HA )) ASSI { 2467} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 6.000 4.500 0.000 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.486 ppm2 3.829 CV 1 OR { 2467} (( segid " " and resid 125 and name HN )) (( segid " " and resid 118 and name HA )) ASSI { 2468} (( segid " " and resid 125 and name HN )) (( segid " " and resid 123 and name HB2 )) 6.000 4.500 0.000 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.490 ppm2 3.183 CV 1 OR { 2468} (( segid " " and resid 125 and name HN )) (( segid " " and resid 129 and name HB2 )) ASSI { 2473} (( segid " " and resid 125 and name HN )) (( segid " " and resid 121 and name HG1 )) 6.000 4.500 0.000 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.488 ppm2 1.412 CV 1 OR { 2473} (( segid " " and resid 125 and name HN )) (( segid " " and resid 127 and name HG1 )) ASSI { 2474} (( segid " " and resid 125 and name HN )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.484 ppm2 1.219 CV 1 OR { 2474} (( segid " " and resid 125 and name HN )) ( segid " " and resid 151 and name HB% ) ASSI { 2475} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.486 ppm2 0.939 CV 1 OR { 2475} (( segid " " and resid 125 and name HN )) (( segid " " and resid 143 and name HG )) ASSI { 2482} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB2 )) 6.000 4.500 0.000 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.481 ppm2 1.077 CV 1 OR { 2482} (( segid " " and resid 125 and name HN )) (( segid " " and resid 147 and name HB2 )) ASSI { 2484} (( segid " " and resid 119 and name HN )) (( segid " " and resid 121 and name HG2 )) 6.000 4.500 0.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.086 ppm2 1.040 CV 1 OR { 2484} (( segid " " and resid 119 and name HN )) (( segid " " and resid 125 and name HB2 )) ASSI { 2488} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HN )) 6.000 4.500 0.000 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.077 ppm2 7.511 CV 1 OR { 2488} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HN )) ASSI { 2499} (( segid " " and resid 119 and name HN )) (( segid " " and resid 146 and name HG12)) 6.000 4.500 0.000 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.077 ppm2 0.994 CV 1 OR { 2499} (( segid " " and resid 119 and name HN )) (( segid " " and resid 121 and name HB1 )) ASSI { 2501} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.076 ppm2 0.473 CV 1 OR { 2501} (( segid " " and resid 119 and name HN )) ( segid " " and resid 125 and name HD1%) ASSI { 2507} (( segid " " and resid 125 and name HN )) (( segid " " and resid 121 and name HD2 )) 6.000 4.500 0.000 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.493 ppm2 2.429 CV 1 OR { 2507} (( segid " " and resid 125 and name HN )) (( segid " " and resid 55 and name HB2 )) ASSI { 2508} (( segid " " and resid 125 and name HN )) (( segid " " and resid 127 and name HG2 )) 6.000 4.500 0.000 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.484 ppm2 2.005 CV 1 OR { 2508} (( segid " " and resid 125 and name HN )) (( segid " " and resid 128 and name HB1 )) ASSI { 2526} (( segid " " and resid 108 and name HN )) (( segid " " and resid 111 and name HG )) 6.000 4.500 0.000 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.997 ppm2 1.054 CV 1 OR { 2526} (( segid " " and resid 108 and name HN )) (( segid " " and resid 106 and name HG12)) OR { 2526} (( segid " " and resid 108 and name HN )) (( segid " " and resid 106 and name HG11)) ASSI { 2536} (( segid " " and resid 108 and name HN )) (( segid " " and resid 106 and name HA )) 6.000 4.500 0.000 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.000 ppm2 4.299 CV 1 OR { 2536} (( segid " " and resid 108 and name HN )) (( segid " " and resid 113 and name HA )) ASSI { 2549} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.284 ppm2 3.848 CV 1 OR { 2549} (( segid " " and resid 134 and name HN )) (( segid " " and resid 129 and name HA )) ASSI { 2554} (( segid " " and resid 134 and name HN )) (( segid " " and resid 136 and name HB )) 6.000 4.500 0.000 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.284 ppm2 1.963 CV 1 OR { 2554} (( segid " " and resid 134 and name HN )) (( segid " " and resid 128 and name HB1 )) ASSI { 2555} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.286 ppm2 1.759 CV 1 OR { 2555} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HB2 )) ASSI { 2581} (( segid " " and resid 128 and name HN )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.520 ppm2 0.953 CV 1 OR { 2581} (( segid " " and resid 128 and name HN )) (( segid " " and resid 125 and name HB1 )) ASSI { 2585} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 6.000 4.500 0.000 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.519 ppm2 3.822 CV 1 OR { 2585} (( segid " " and resid 128 and name HN )) (( segid " " and resid 125 and name HA )) ASSI { 2587} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.518 ppm2 1.985 CV 1 OR { 2587} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HG2 )) ASSI { 2605} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) 6.000 4.500 0.000 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.901 ppm2 2.388 CV 1 OR { 2605} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 2629} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HA )) 6.000 4.500 0.000 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.284 ppm2 4.209 CV 1 OR { 2629} (( segid " " and resid 73 and name HN )) (( segid " " and resid 24 and name HA )) ASSI { 2638} (( segid " " and resid 73 and name HN )) ( segid " " and resid 25 and name HD1%) 6.000 4.500 0.000 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.289 ppm2 0.810 CV 1 OR { 2638} (( segid " " and resid 73 and name HN )) ( segid " " and resid 5 and name HG2%) ASSI { 2639} (( segid " " and resid 73 and name HN )) ( segid " " and resid 70 and name HD2%) 6.000 4.500 0.000 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.287 ppm2 0.715 CV 1 OR { 2639} (( segid " " and resid 73 and name HN )) ( segid " " and resid 94 and name HD2%) OR { 2639} (( segid " " and resid 73 and name HN )) ( segid " " and resid 94 and name HD1%) ASSI { 2646} (( segid " " and resid 8 and name HN )) (( segid " " and resid 95 and name HN )) 6.000 4.500 0.000 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.787 ppm2 9.217 CV 1 OR { 2646} (( segid " " and resid 8 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 2647} (( segid " " and resid 8 and name HN )) (( segid " " and resid 94 and name HA )) 6.000 4.500 0.000 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.787 ppm2 5.076 CV 1 OR { 2647} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 2658} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB )) 6.000 4.500 0.000 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.780 ppm2 1.455 CV 1 OR { 2658} (( segid " " and resid 8 and name HN )) ( segid " " and resid 21 and name HB% ) ASSI { 2660} (( segid " " and resid 8 and name HN )) ( segid " " and resid 96 and name HD1%) 6.000 4.500 0.000 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.780 ppm2 0.931 CV 1 OR { 2660} (( segid " " and resid 8 and name HN )) ( segid " " and resid 96 and name HD2%) OR { 2660} (( segid " " and resid 8 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 2661} (( segid " " and resid 8 and name HN )) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.782 ppm2 0.804 CV 1 OR { 2661} (( segid " " and resid 8 and name HN )) ( segid " " and resid 5 and name HG2%) OR { 2661} (( segid " " and resid 8 and name HN )) ( segid " " and resid 25 and name HD2%) ASSI { 2664} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 6.000 4.500 0.000 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.398 ppm2 9.257 CV 1 OR { 2664} (( segid " " and resid 102 and name HN )) (( segid " " and resid 3 and name HN )) ASSI { 2674} (( segid " " and resid 102 and name HN )) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.403 ppm2 4.205 CV 1 OR { 2674} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HA )) ASSI { 2679} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HB2 )) 6.000 4.500 0.000 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.397 ppm2 2.008 CV 1 OR { 2679} (( segid " " and resid 102 and name HN )) (( segid " " and resid 138 and name HG1 )) ASSI { 2683} (( segid " " and resid 102 and name HN )) ( segid " " and resid 2 and name HG2%) 6.000 4.500 0.000 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.400 ppm2 0.771 CV 1 OR { 2683} (( segid " " and resid 102 and name HN )) ( segid " " and resid 98 and name HG2%) OR { 2683} (( segid " " and resid 102 and name HN )) (( segid " " and resid 66 and name HG1 )) ASSI { 2700} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.287 ppm2 1.874 CV 1 OR { 2700} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HB2 )) OR { 2700} (( segid " " and resid 73 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 2701} (( segid " " and resid 73 and name HN )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.286 ppm2 0.941 CV 1 OR { 2701} (( segid " " and resid 73 and name HN )) ( segid " " and resid 96 and name HD2%) OR { 2701} (( segid " " and resid 73 and name HN )) ( segid " " and resid 96 and name HD1%) OR { 2701} (( segid " " and resid 73 and name HN )) (( segid " " and resid 96 and name HB2 )) ASSI { 2706} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 105 and name HA )) 6.000 4.500 0.000 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.805 ppm2 4.664 CV 1 OR { 2706} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 108 and name HB )) ASSI { 2707} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 106 and name HA )) 6.000 4.500 0.000 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.802 ppm2 4.302 CV 1 OR { 2707} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 113 and name HA )) ASSI { 2710} (( segid " " and resid 107 and name HD21)) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.801 ppm2 1.032 CV 1 OR { 2710} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 106 and name HG12)) OR { 2710} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 106 and name HG11)) OR { 2710} (( segid " " and resid 107 and name HD21)) ( segid " " and resid 105 and name HG2%) ASSI { 2735} (( segid " " and resid 107 and name HD22)) ( segid " " and resid 113 and name HG2%) 6.000 4.500 0.000 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.797 ppm2 1.176 CV 1 OR { 2735} (( segid " " and resid 107 and name HD22)) ( segid " " and resid 108 and name HG2%) ASSI { 2736} (( segid " " and resid 107 and name HD22)) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.798 ppm2 1.035 CV 1 OR { 2736} (( segid " " and resid 107 and name HD22)) ( segid " " and resid 105 and name HG2%) OR { 2736} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 106 and name HG12)) ASSI { 2756} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 3.628 CV 1 OR { 2756} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HD2 )) ASSI { 2762} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.725 ppm2 1.730 CV 1 OR { 2762} (( segid " " and resid 67 and name HN )) (( segid " " and resid 64 and name HB1 )) ASSI { 2764} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.724 ppm2 1.272 CV 1 OR { 2764} (( segid " " and resid 67 and name HN )) (( segid " " and resid 69 and name HB2 )) ASSI { 2765} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.724 ppm2 0.773 CV 1 OR { 2765} (( segid " " and resid 67 and name HN )) ( segid " " and resid 98 and name HG2%) ASSI { 2769} (( segid " " and resid 67 and name HN )) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.719 ppm2 1.005 CV 1 OR { 2769} (( segid " " and resid 67 and name HN )) (( segid " " and resid 111 and name HG )) OR { 2769} (( segid " " and resid 67 and name HN )) (( segid " " and resid 69 and name HG )) ASSI { 2780} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 48 and name HB1 )) 6.000 4.500 0.000 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.617 ppm2 2.247 CV 1 OR { 2780} (( segid " " and resid 48 and name HE22)) (( segid " " and resid 91 and name HB2 )) ASSI { 2792} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 48 and name HB1 )) 6.000 4.500 0.000 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.891 ppm2 2.245 CV 1 OR { 2792} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 91 and name HB2 )) ASSI { 2793} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 44 and name HG2 )) 6.000 4.500 0.000 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.885 ppm2 1.967 CV 1 OR { 2793} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 91 and name HG1 )) ASSI { 2795} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.882 ppm2 2.168 CV 1 OR { 2795} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 44 and name HB2 )) OR { 2795} (( segid " " and resid 48 and name HE21)) (( segid " " and resid 50 and name HB2 )) ASSI { 2813} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HG )) 6.000 4.500 0.000 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.935 ppm2 1.027 CV 1 OR { 2813} (( segid " " and resid 110 and name HN )) (( segid " " and resid 106 and name HG12)) ASSI { 2849} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG2 )) 6.000 4.500 0.000 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.937 ppm2 1.461 CV 1 OR { 2849} (( segid " " and resid 110 and name HN )) ( segid " " and resid 112 and name HG2%) ASSI { 2871} (( segid " " and resid 38 and name HN )) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.453 ppm2 1.464 CV 1 OR { 2871} (( segid " " and resid 38 and name HN )) (( segid " " and resid 131 and name HG12)) ASSI { 2872} (( segid " " and resid 38 and name HN )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.454 ppm2 1.332 CV 1 OR { 2872} (( segid " " and resid 38 and name HN )) ( segid " " and resid 36 and name HG2%) ASSI { 2875} (( segid " " and resid 38 and name HN )) (( segid " " and resid 131 and name HA )) 6.000 4.500 0.000 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.432 ppm2 4.470 CV 1 OR { 2875} (( segid " " and resid 38 and name HN )) (( segid " " and resid 157 and name HA )) ASSI { 2887} (( segid " " and resid 100 and name HN )) (( segid " " and resid 5 and name HA )) 6.000 4.500 0.000 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.510 ppm2 4.955 CV 1 OR { 2887} (( segid " " and resid 100 and name HN )) (( segid " " and resid 3 and name HA )) ASSI { 2895} (( segid " " and resid 100 and name HN )) (( segid " " and resid 59 and name HA )) 6.000 4.500 0.000 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.509 ppm2 4.812 CV 1 OR { 2895} (( segid " " and resid 100 and name HN )) (( segid " " and resid 142 and name HA )) ASSI { 2907} (( segid " " and resid 100 and name HN )) ( segid " " and resid 3 and name HB% ) 6.000 4.500 0.000 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.500 ppm2 1.183 CV 1 OR { 2907} (( segid " " and resid 100 and name HN )) (( segid " " and resid 128 and name HB2 )) OR { 2907} (( segid " " and resid 100 and name HN )) (( segid " " and resid 135 and name HG )) ASSI { 2922} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 68 and name HA )) 6.000 4.500 0.000 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.187 ppm2 4.318 CV 1 OR { 2922} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HA )) ASSI { 2939} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 6.000 4.500 0.000 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.299 ppm2 4.039 CV 1 OR { 2939} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HA )) ASSI { 2941} (( segid " " and resid 149 and name HN )) (( segid " " and resid 147 and name HA )) 6.000 4.500 0.000 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.300 ppm2 3.652 CV 1 OR { 2941} (( segid " " and resid 149 and name HN )) (( segid " " and resid 146 and name HA )) ASSI { 2957} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 68 and name HA )) 6.000 4.500 0.000 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.434 ppm2 4.306 CV 1 OR { 2957} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HA )) ASSI { 2963} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 68 and name HG2 )) 6.000 4.500 0.000 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.181 ppm2 2.393 CV 1 OR { 2963} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 74 and name HG1 )) ASSI { 2973} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HD2 )) 6.000 4.500 0.000 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.045 ppm2 2.413 CV 1 OR { 2973} (( segid " " and resid 123 and name HN )) (( segid " " and resid 55 and name HB2 )) ASSI { 2974} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HG2 )) 6.000 4.500 0.000 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.048 ppm2 1.070 CV 1 OR { 2974} (( segid " " and resid 123 and name HN )) (( segid " " and resid 125 and name HB2 )) OR { 2974} (( segid " " and resid 123 and name HN )) (( segid " " and resid 147 and name HB2 )) ASSI { 2986} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 148 and name HB2 )) 6.000 4.500 0.000 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.591 ppm2 3.257 CV 1 OR { 2986} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 144 and name HD1 )) OR { 2986} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 144 and name HD2 )) ASSI { 2993} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.580 ppm2 4.095 CV 1 OR { 2993} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 122 and name HA2 )) ASSI { 2994} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.584 ppm2 1.804 CV 1 OR { 2994} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 146 and name HB )) ASSI { 2995} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 125 and name HB2 )) 6.000 4.500 0.000 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.579 ppm2 1.067 CV 1 OR { 2995} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 147 and name HB2 )) ASSI { 2996} (( segid " " and resid 103 and name HD22)) (( segid " " and resid 138 and name HA )) 6.000 4.500 0.000 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.573 ppm2 4.480 CV 1 OR { 2996} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 148 and name HA )) ASSI { 3007} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 6.000 4.500 0.000 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.046 ppm2 3.173 CV 1 OR { 3007} (( segid " " and resid 123 and name HN )) (( segid " " and resid 127 and name HD1 )) ASSI { 3009} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HD1 )) 6.000 4.500 0.000 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.047 ppm2 2.593 CV 1 OR { 3009} (( segid " " and resid 123 and name HN )) (( segid " " and resid 127 and name HB1 )) ASSI { 3013} (( segid " " and resid 123 and name HN )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.047 ppm2 0.909 CV 1 OR { 3013} (( segid " " and resid 123 and name HN )) (( segid " " and resid 147 and name HG )) OR { 3013} (( segid " " and resid 123 and name HN )) (( segid " " and resid 125 and name HB1 )) ASSI { 3018} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HG1 )) 6.000 4.500 0.000 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.037 ppm2 1.394 CV 1 OR { 3018} (( segid " " and resid 123 and name HN )) (( segid " " and resid 127 and name HG1 )) ASSI { 3024} (( segid " " and resid 103 and name HD21)) (( segid " " and resid 138 and name HA )) 6.000 4.500 0.000 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.984 ppm2 4.482 CV 1 OR { 3024} (( segid " " and resid 103 and name HD21)) (( segid " " and resid 136 and name HA )) ASSI { 3029} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 148 and name HB2 )) 6.000 4.500 0.000 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.941 ppm2 3.257 CV 1 OR { 3029} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 144 and name HD1 )) OR { 3029} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 144 and name HD2 )) ASSI { 3035} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HA )) 6.000 4.500 0.000 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.500 ppm2 4.310 CV 1 OR { 3035} (( segid " " and resid 139 and name HN )) (( segid " " and resid 141 and name HA )) ASSI { 3049} (( segid " " and resid 103 and name HD21)) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.978 ppm2 1.002 CV 1 OR { 3049} (( segid " " and resid 103 and name HD21)) ( segid " " and resid 136 and name HG1%) OR { 3049} (( segid " " and resid 103 and name HD21)) ( segid " " and resid 136 and name HG2%) OR { 3049} (( segid " " and resid 103 and name HD21)) ( segid " " and resid 105 and name HG1%) ASSI { 3076} (( segid " " and resid 139 and name HN )) (( segid " " and resid 114 and name HD1 )) 6.000 4.500 0.000 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.498 ppm2 4.139 CV 1 OR { 3076} (( segid " " and resid 139 and name HN )) (( segid " " and resid 133 and name HA )) ASSI { 3079} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.497 ppm2 3.243 CV 1 OR { 3079} (( segid " " and resid 139 and name HN )) (( segid " " and resid 148 and name HB2 )) ASSI { 3087} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 6.000 4.500 0.000 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.496 ppm2 4.493 CV 1 OR { 3087} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA )) ASSI { 3111} (( segid " " and resid 35 and name HN )) (( segid " " and resid 58 and name HA )) 6.000 4.500 0.000 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.357 ppm2 4.923 CV 1 OR { 3111} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HA )) ASSI { 3118} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HB )) 6.000 4.500 0.000 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.359 ppm2 1.954 CV 1 OR { 3118} (( segid " " and resid 35 and name HN )) (( segid " " and resid 58 and name HB )) OR { 3118} (( segid " " and resid 35 and name HN )) (( segid " " and resid 25 and name HG )) ASSI { 3122} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HG2%) 6.000 4.500 0.000 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.362 ppm2 1.242 CV 1 OR { 3122} (( segid " " and resid 35 and name HN )) ( segid " " and resid 59 and name HB% ) ASSI { 3123} (( segid " " and resid 35 and name HN )) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.363 ppm2 1.100 CV 1 OR { 3123} (( segid " " and resid 35 and name HN )) (( segid " " and resid 5 and name HG11)) ASSI { 3124} (( segid " " and resid 35 and name HN )) (( segid " " and resid 60 and name HB2 )) 6.000 4.500 0.000 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.363 ppm2 0.984 CV 1 OR { 3124} (( segid " " and resid 35 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 3125} (( segid " " and resid 35 and name HN )) ( segid " " and resid 33 and name HG2%) 6.000 4.500 0.000 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.363 ppm2 0.780 CV 1 OR { 3125} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG )) ASSI { 3149} (( segid " " and resid 46 and name HN )) (( segid " " and resid 50 and name HN )) 6.000 4.500 0.000 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.321 ppm2 7.627 CV 1 OR { 3149} (( segid " " and resid 46 and name HN )) (( segid " " and resid 48 and name HE22)) ASSI { 3167} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HN )) 6.000 4.500 0.000 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.504 ppm2 8.073 CV 1 OR { 3167} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HD21)) ASSI { 3172} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 6.000 4.500 0.000 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.503 ppm2 5.012 CV 1 OR { 3172} (( segid " " and resid 120 and name HN )) (( segid " " and resid 117 and name HA )) ASSI { 3173} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 6.000 4.500 0.000 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.507 ppm2 3.808 CV 1 OR { 3173} (( segid " " and resid 120 and name HN )) (( segid " " and resid 118 and name HA )) ASSI { 3181} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HG2 )) 6.000 4.500 0.000 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.504 ppm2 1.068 CV 1 OR { 3181} (( segid " " and resid 120 and name HN )) (( segid " " and resid 147 and name HB2 )) ASSI { 3182} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HB1 )) 6.000 4.500 0.000 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.502 ppm2 0.960 CV 1 OR { 3182} (( segid " " and resid 120 and name HN )) (( segid " " and resid 146 and name HG12)) ASSI { 3189} (( segid " " and resid 19 and name HD21)) (( segid " " and resid 20 and name HN )) 6.000 4.500 0.000 peak 3189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.396 ppm2 8.184 CV 1 OR { 3189} (( segid " " and resid 19 and name HD21)) (( segid " " and resid 17 and name HN )) OR { 3189} (( segid " " and resid 19 and name HD21)) (( segid " " and resid 15 and name HN )) ASSI { 3201} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HA )) 6.000 4.500 0.000 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.283 ppm2 4.938 CV 1 OR { 3201} (( segid " " and resid 31 and name HN )) (( segid " " and resid 27 and name HA )) ASSI { 3208} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) 6.000 4.500 0.000 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.281 ppm2 2.390 CV 1 OR { 3208} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HB2 )) ASSI { 3213} (( segid " " and resid 31 and name HN )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.281 ppm2 1.274 CV 1 OR { 3213} (( segid " " and resid 31 and name HN )) (( segid " " and resid 60 and name HG )) ASSI { 3220} (( segid " " and resid 19 and name HD22)) (( segid " " and resid 20 and name HN )) 6.000 4.500 0.000 peak 3220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.844 ppm2 8.186 CV 1 OR { 3220} (( segid " " and resid 19 and name HD22)) (( segid " " and resid 15 and name HN )) OR { 3220} (( segid " " and resid 19 and name HD22)) (( segid " " and resid 17 and name HN )) ASSI { 3223} (( segid " " and resid 17 and name HE21)) (( segid " " and resid 17 and name HG1 )) 6.000 4.500 0.000 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.842 ppm2 2.318 CV 1 OR { 3223} (( segid " " and resid 17 and name HE21)) (( segid " " and resid 17 and name HG2 )) OR { 3223} (( segid " " and resid 17 and name HE21)) (( segid " " and resid 80 and name HB1 )) ASSI { 3230} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.774 ppm2 1.866 CV 1 OR { 3230} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 76 and name HB )) ASSI { 3231} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.773 ppm2 0.857 CV 1 OR { 3231} (( segid " " and resid 17 and name HE22)) ( segid " " and resid 76 and name HG2%) ASSI { 3233} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 80 and name HB1 )) 6.000 4.500 0.000 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.769 ppm2 2.323 CV 1 OR { 3233} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 17 and name HG1 )) OR { 3233} (( segid " " and resid 17 and name HE22)) (( segid " " and resid 17 and name HG2 )) ASSI { 3264} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HD2 )) 6.000 4.500 0.000 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.365 ppm2 4.042 CV 1 OR { 3264} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HD1 )) OR { 3264} (( segid " " and resid 140 and name HN )) (( segid " " and resid 149 and name HA )) OR { 3264} (( segid " " and resid 140 and name HN )) (( segid " " and resid 150 and name HA )) ASSI { 3292} (( segid " " and resid 140 and name HN )) (( segid " " and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.367 ppm2 3.252 CV 1 OR { 3292} (( segid " " and resid 140 and name HN )) (( segid " " and resid 148 and name HB2 )) OR { 3292} (( segid " " and resid 140 and name HN )) (( segid " " and resid 144 and name HD1 )) ASSI { 3298} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HB2 )) 6.000 4.500 0.000 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.367 ppm2 1.852 CV 1 OR { 3298} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HB2 )) ASSI { 3322} (( segid " " and resid 81 and name HN )) (( segid " " and resid 94 and name HB2 )) 6.000 4.500 0.000 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.612 ppm2 1.424 CV 1 OR { 3322} (( segid " " and resid 81 and name HN )) ( segid " " and resid 21 and name HB% ) ASSI { 3338} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HA )) 6.000 4.500 0.000 peak 3338 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.917 ppm2 4.779 CV 1 OR { 3338} (( segid " " and resid 131 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 3348} (( segid " " and resid 131 and name HN )) ( segid " " and resid 35 and name HG2%) 6.000 4.500 0.000 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.917 ppm2 1.249 CV 1 OR { 3348} (( segid " " and resid 131 and name HN )) ( segid " " and resid 59 and name HB% ) ASSI { 3365} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HA )) 6.000 4.500 0.000 peak 3365 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.583 ppm2 4.925 CV 1 OR { 3365} (( segid " " and resid 26 and name HN )) (( segid " " and resid 32 and name HA )) ASSI { 3367} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA2 )) 6.000 4.500 0.000 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.582 ppm2 3.885 CV 1 OR { 3367} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 3371} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HG )) 6.000 4.500 0.000 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.581 ppm2 1.931 CV 1 OR { 3371} (( segid " " and resid 26 and name HN )) (( segid " " and resid 58 and name HB )) ASSI { 3373} (( segid " " and resid 26 and name HN )) (( segid " " and resid 33 and name HG12)) 6.000 4.500 0.000 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.580 ppm2 1.542 CV 1 OR { 3373} (( segid " " and resid 26 and name HN )) (( segid " " and resid 33 and name HG11)) OR { 3373} (( segid " " and resid 26 and name HN )) ( segid " " and resid 24 and name HB% ) ASSI { 3376} (( segid " " and resid 26 and name HN )) ( segid " " and resid 22 and name HD2%) 6.000 4.500 0.000 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.578 ppm2 1.086 CV 1 OR { 3376} (( segid " " and resid 26 and name HN )) ( segid " " and resid 73 and name HG2%) ASSI { 3378} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HD2%) 6.000 4.500 0.000 peak 3378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.581 ppm2 0.847 CV 1 OR { 3378} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HD1%) OR { 3378} (( segid " " and resid 26 and name HN )) ( segid " " and resid 33 and name HD1%) ASSI { 13} (( segid " " and resid 62 and name HB )) ( segid " " and resid 60 and name HD1%) 6.000 4.500 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.809 ppm2 0.706 CV 1 OR { 13} (( segid " " and resid 62 and name HB )) ( segid " " and resid 64 and name HD1%) OR { 13} (( segid " " and resid 62 and name HB )) ( segid " " and resid 64 and name HD2%) ASSI { 21} (( segid " " and resid 35 and name HB )) (( segid " " and resid 36 and name HN )) 6.000 4.500 0.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.098 ppm2 8.284 CV 1 OR { 21} (( segid " " and resid 35 and name HB )) (( segid " " and resid 132 and name HN )) ASSI { 44} (( segid " " and resid 149 and name HB )) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.183 ppm2 7.560 CV 1 OR { 44} (( segid " " and resid 149 and name HB )) (( segid " " and resid 151 and name HN )) ASSI { 59} (( segid " " and resid 18 and name HA )) (( segid " " and resid 22 and name HN )) 6.000 4.500 0.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.325 ppm2 8.541 CV 1 OR { 59} (( segid " " and resid 18 and name HA )) (( segid " " and resid 9 and name HN )) ASSI { 60} (( segid " " and resid 18 and name HA )) (( segid " " and resid 20 and name HN )) 6.000 4.500 0.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.324 ppm2 8.182 CV 1 OR { 60} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 62} (( segid " " and resid 18 and name HA )) ( segid " " and resid 21 and name HB% ) 6.000 4.500 0.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.325 ppm2 1.435 CV 1 OR { 62} (( segid " " and resid 18 and name HA )) (( segid " " and resid 7 and name HB )) OR { 62} (( segid " " and resid 18 and name HA )) ( segid " " and resid 56 and name HB% ) OR { 62} (( segid " " and resid 18 and name HA )) (( segid " " and resid 22 and name HB1 )) ASSI { 66} (( segid " " and resid 73 and name HB )) (( segid " " and resid 76 and name HB )) 6.000 4.500 0.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.918 ppm2 1.880 CV 1 OR { 66} (( segid " " and resid 73 and name HB )) (( segid " " and resid 77 and name HB1 )) OR { 66} (( segid " " and resid 73 and name HB )) (( segid " " and resid 70 and name HB1 )) ASSI { 71} (( segid " " and resid 73 and name HB )) (( segid " " and resid 96 and name HB1 )) 6.000 4.500 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.912 ppm2 2.070 CV 1 OR { 71} (( segid " " and resid 73 and name HB )) (( segid " " and resid 76 and name HG11)) ASSI { 73} (( segid " " and resid 73 and name HB )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.911 ppm2 0.850 CV 1 OR { 73} (( segid " " and resid 73 and name HB )) ( segid " " and resid 76 and name HG2%) ASSI { 77} (( segid " " and resid 73 and name HA )) ( segid " " and resid 25 and name HD1%) 6.000 4.500 0.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.257 ppm2 0.816 CV 1 OR { 77} (( segid " " and resid 73 and name HA )) ( segid " " and resid 5 and name HG2%) ASSI { 95} (( segid " " and resid 66 and name HA )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.338 ppm2 1.844 CV 1 OR { 95} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HB2 )) OR { 95} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HB1 )) ASSI { 97} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.340 ppm2 0.763 CV 1 OR { 97} (( segid " " and resid 66 and name HA )) ( segid " " and resid 98 and name HG2%) ASSI { 111} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 57 and name HB% ) 6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.043 ppm2 1.329 CV 1 OR { 111} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 57 and name HB% ) OR { 111} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 36 and name HG2%) OR { 111} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 36 and name HG2%) ASSI { 114} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HG2 )) 6.000 4.500 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.753 ppm2 2.607 CV 1 OR { 114} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 118} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.682 ppm2 0.645 CV 1 OR { 118} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 7 and name HD1%) ASSI { 121} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 18 and name HN )) 6.000 4.500 0.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.173 ppm2 8.535 CV 1 OR { 121} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HN )) ASSI { 124} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.174 ppm2 0.905 CV 1 OR { 124} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 54 and name HB2 )) OR { 124} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 96 and name HD2%) OR { 124} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 96 and name HD1%) ASSI { 126} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 21 and name HB% ) 6.000 4.500 0.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.165 ppm2 1.461 CV 1 OR { 126} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 7 and name HB )) OR { 126} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 56 and name HB% ) ASSI { 139} (( segid " " and resid 76 and name HA )) ( segid " " and resid 20 and name HB% ) 6.000 4.500 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.755 ppm2 1.531 CV 1 OR { 139} (( segid " " and resid 76 and name HA )) ( segid " " and resid 24 and name HB% ) ASSI { 147} (( segid " " and resid 146 and name HA )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.635 ppm2 2.282 CV 1 OR { 147} (( segid " " and resid 146 and name HA )) (( segid " " and resid 119 and name HE1 )) ASSI { 157} (( segid " " and resid 146 and name HA )) ( segid " " and resid 149 and name HG2%) 6.000 4.500 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.639 ppm2 1.269 CV 1 OR { 157} (( segid " " and resid 146 and name HA )) (( segid " " and resid 119 and name HG2 )) ASSI { 170} (( segid " " and resid 133 and name HA )) (( segid " " and resid 144 and name HB2 )) 6.000 6.000 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.140 ppm2 1.777 CV 1 OR { 170} (( segid " " and resid 133 and name HA )) (( segid " " and resid 141 and name HB1 )) ASSI { 173} (( segid " " and resid 133 and name HA )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.139 ppm2 0.957 CV 1 OR { 173} (( segid " " and resid 133 and name HA )) (( segid " " and resid 125 and name HB1 )) ASSI { 177} (( segid " " and resid 149 and name HA )) (( segid " " and resid 151 and name HN )) 6.000 4.500 0.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.035 ppm2 7.556 CV 1 OR { 177} (( segid " " and resid 149 and name HA )) (( segid " " and resid 148 and name HN )) ASSI { 182} (( segid " " and resid 14 and name HA )) (( segid " " and resid 18 and name HB )) 6.000 4.500 0.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.308 ppm2 1.561 CV 1 OR { 182} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HB2 )) ASSI { 183} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) 6.000 4.500 0.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.301 ppm2 8.183 CV 1 OR { 183} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 223} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HG11)) 6.000 4.500 0.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.178 ppm2 0.939 CV 1 OR { 223} (( segid " " and resid 98 and name HA )) ( segid " " and resid 69 and name HD2%) ASSI { 226} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HG2%) 6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 0.779 CV 1 OR { 226} (( segid " " and resid 33 and name HA )) ( segid " " and resid 28 and name HD1%) ASSI { 227} (( segid " " and resid 33 and name HA )) ( segid " " and resid 60 and name HD1%) 6.000 4.500 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.869 ppm2 0.739 CV 1 OR { 227} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HG2%) ASSI { 234} (( segid " " and resid 112 and name HA )) (( segid " " and resid 111 and name HG )) 6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.209 ppm2 1.015 CV 1 OR { 234} (( segid " " and resid 112 and name HA )) (( segid " " and resid 106 and name HG12)) OR { 234} (( segid " " and resid 112 and name HA )) (( segid " " and resid 106 and name HG11)) ASSI { 240} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.211 ppm2 1.749 CV 1 OR { 240} (( segid " " and resid 2 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 246} (( segid " " and resid 33 and name HA )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.877 ppm2 1.250 CV 1 OR { 246} (( segid " " and resid 33 and name HA )) (( segid " " and resid 25 and name HB2 )) OR { 246} (( segid " " and resid 33 and name HA )) ( segid " " and resid 35 and name HG2%) ASSI { 247} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 6.000 4.500 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.869 ppm2 9.152 CV 1 OR { 247} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) ASSI { 258} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 6.000 4.500 0.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.433 ppm2 2.006 CV 1 OR { 258} (( segid " " and resid 51 and name HA )) (( segid " " and resid 44 and name HG1 )) ASSI { 265} (( segid " " and resid 114 and name HA )) (( segid " " and resid 113 and name HA )) 6.000 4.500 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.429 ppm2 4.310 CV 1 OR { 265} (( segid " " and resid 114 and name HA )) (( segid " " and resid 137 and name HA )) ASSI { 272} (( segid " " and resid 114 and name HA )) (( segid " " and resid 138 and name HB2 )) 6.000 4.500 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.422 ppm2 1.861 CV 1 OR { 272} (( segid " " and resid 114 and name HA )) (( segid " " and resid 113 and name HB )) ASSI { 300} (( segid " " and resid 1 and name HA )) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.606 ppm2 1.740 CV 1 OR { 300} (( segid " " and resid 1 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 301} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 157 and name HG2 )) 6.000 4.500 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.605 ppm2 1.184 CV 1 OR { 301} (( segid " " and resid 1 and name HA )) ( segid " " and resid 3 and name HB% ) OR { 301} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 128 and name HB2 )) ASSI { 314} (( segid " " and resid 158 and name HA )) (( segid " " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 0.628 CV 1 OR { 314} (( segid " " and resid 158 and name HA )) ( segid " " and resid 18 and name HG2%) ASSI { 322} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 157 and name HE2 )) 6.000 4.500 0.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.740 ppm2 2.912 CV 1 OR { 322} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 157 and name HE1 )) OR { 322} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 129 and name HB1 )) ASSI { 330} (( segid " " and resid 72 and name HA )) (( segid " " and resid 74 and name HB2 )) 6.000 4.500 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.379 ppm2 2.195 CV 1 OR { 330} (( segid " " and resid 72 and name HA )) (( segid " " and resid 74 and name HB1 )) OR { 330} (( segid " " and resid 72 and name HA )) (( segid " " and resid 69 and name HB1 )) ASSI { 336} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) 6.000 4.500 0.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.093 ppm2 2.001 CV 1 OR { 336} (( segid " " and resid 43 and name HA )) (( segid " " and resid 44 and name HG1 )) ASSI { 368} (( segid " " and resid 77 and name HA )) (( segid " " and resid 81 and name HN )) 6.000 4.500 0.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.687 ppm2 7.621 CV 1 OR { 368} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 370} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.686 ppm2 1.860 CV 1 OR { 370} (( segid " " and resid 77 and name HA )) (( segid " " and resid 76 and name HB )) ASSI { 375} (( segid " " and resid 77 and name HA )) (( segid " " and resid 81 and name HA1 )) 6.000 4.500 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.680 ppm2 4.144 CV 1 OR { 375} (( segid " " and resid 77 and name HA )) (( segid " " and resid 81 and name HA2 )) OR { 375} (( segid " " and resid 77 and name HA )) (( segid " " and resid 79 and name HA )) ASSI { 380} (( segid " " and resid 62 and name HA )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.506 ppm2 0.722 CV 1 OR { 380} (( segid " " and resid 62 and name HA )) ( segid " " and resid 60 and name HD1%) OR { 380} (( segid " " and resid 62 and name HA )) ( segid " " and resid 64 and name HD1%) OR { 380} (( segid " " and resid 62 and name HA )) ( segid " " and resid 64 and name HD2%) ASSI { 387} (( segid " " and resid 62 and name HA )) (( segid " " and resid 64 and name HB2 )) 6.000 4.500 0.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.494 ppm2 1.504 CV 1 OR { 387} (( segid " " and resid 62 and name HA )) (( segid " " and resid 5 and name HG12)) ASSI { 408} (( segid " " and resid 129 and name HA )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.861 ppm2 0.954 CV 1 OR { 408} (( segid " " and resid 129 and name HA )) (( segid " " and resid 125 and name HB1 )) ASSI { 414} (( segid " " and resid 118 and name HA )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.828 ppm2 1.829 CV 1 OR { 414} (( segid " " and resid 118 and name HA )) (( segid " " and resid 144 and name HB2 )) ASSI { 425} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 6.000 4.500 0.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.066 ppm2 8.194 CV 1 OR { 425} (( segid " " and resid 16 and name HA )) (( segid " " and resid 15 and name HN )) ASSI { 428} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HD22)) 6.000 4.500 0.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.065 ppm2 6.831 CV 1 OR { 428} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HE21)) ASSI { 435} (( segid " " and resid 113 and name HA )) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.312 ppm2 2.292 CV 1 OR { 435} (( segid " " and resid 113 and name HA )) (( segid " " and resid 99 and name HB1 )) ASSI { 438} (( segid " " and resid 75 and name HA )) (( segid " " and resid 79 and name HG2 )) 6.000 4.500 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.134 ppm2 2.595 CV 1 OR { 438} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 444} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB2 )) 6.000 4.500 0.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.121 ppm2 1.543 CV 1 OR { 444} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HG2 )) ASSI { 460} (( segid " " and resid 67 and name HA )) (( segid " " and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.633 ppm2 1.301 CV 1 OR { 460} (( segid " " and resid 67 and name HA )) (( segid " " and resid 69 and name HB2 )) ASSI { 471} (( segid " " and resid 144 and name HA )) (( segid " " and resid 125 and name HB2 )) 6.000 4.500 0.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.517 ppm2 1.082 CV 1 OR { 471} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HB2 )) ASSI { 483} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.301 ppm2 1.857 CV 1 OR { 483} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HB2 )) ASSI { 510} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.785 ppm2 0.462 CV 1 OR { 510} (( segid " " and resid 119 and name HA )) ( segid " " and resid 125 and name HD1%) OR { 510} (( segid " " and resid 119 and name HA )) ( segid " " and resid 146 and name HD1%) ASSI { 514} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG2 )) 6.000 4.500 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.781 ppm2 1.255 CV 1 OR { 514} (( segid " " and resid 119 and name HA )) (( segid " " and resid 150 and name HB1 )) ASSI { 531} (( segid " " and resid 69 and name HA )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 1.514 CV 1 OR { 531} (( segid " " and resid 69 and name HA )) ( segid " " and resid 24 and name HB% ) ASSI { 539} (( segid " " and resid 143 and name HA )) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.082 ppm2 0.943 CV 1 OR { 539} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HG )) ASSI { 540} (( segid " " and resid 143 and name HA )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.081 ppm2 0.470 CV 1 OR { 540} (( segid " " and resid 143 and name HA )) ( segid " " and resid 146 and name HD1%) ASSI { 550} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB1 )) 6.000 4.500 0.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.153 ppm2 3.102 CV 1 OR { 550} (( segid " " and resid 40 and name HA )) (( segid " " and resid 158 and name HB2 )) ASSI { 554} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.441 ppm2 7.561 CV 1 OR { 554} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HN )) ASSI { 567} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HN )) 6.000 4.500 0.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.160 ppm2 7.692 CV 1 OR { 567} (( segid " " and resid 69 and name HA )) (( segid " " and resid 71 and name HN )) ASSI { 568} (( segid " " and resid 69 and name HA )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.158 ppm2 1.568 CV 1 OR { 568} (( segid " " and resid 79 and name HA )) (( segid " " and resid 78 and name HB2 )) ASSI { 571} (( segid " " and resid 143 and name HA )) (( segid " " and resid 118 and name HG2 )) 6.000 4.500 0.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.088 ppm2 2.152 CV 1 OR { 571} (( segid " " and resid 143 and name HA )) (( segid " " and resid 99 and name HG1 )) ASSI { 577} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HN )) 6.000 4.500 0.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.404 ppm2 6.503 CV 1 OR { 577} (( segid " " and resid 124 and name HA )) (( segid " " and resid 128 and name HN )) ASSI { 587} (( segid " " and resid 79 and name HA )) (( segid " " and resid 81 and name HN )) 6.000 4.500 0.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.169 ppm2 7.586 CV 1 OR { 587} (( segid " " and resid 79 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 594} (( segid " " and resid 22 and name HA )) ( segid " " and resid 22 and name HD1%) 6.000 4.500 0.000 peak 594 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.955 ppm2 0.839 CV 1 OR { 594} (( segid " " and resid 22 and name HA )) ( segid " " and resid 25 and name HD2%) ASSI { 622} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB2 )) 6.000 4.500 0.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.337 ppm2 3.173 CV 1 OR { 622} (( segid " " and resid 123 and name HA )) (( segid " " and resid 127 and name HD1 )) ASSI { 626} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.284 ppm2 2.262 CV 1 OR { 626} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HB2 )) ASSI { 632} (( segid " " and resid 25 and name HA )) ( segid " " and resid 24 and name HB% ) 6.000 4.500 0.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.865 ppm2 1.518 CV 1 OR { 632} (( segid " " and resid 25 and name HA )) (( segid " " and resid 28 and name HB )) ASSI { 633} (( segid " " and resid 25 and name HA )) ( segid " " and resid 28 and name HD1%) 6.000 4.500 0.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.870 ppm2 0.806 CV 1 OR { 633} (( segid " " and resid 25 and name HA )) ( segid " " and resid 25 and name HD1%) OR { 633} (( segid " " and resid 25 and name HA )) ( segid " " and resid 25 and name HD2%) ASSI { 639} (( segid " " and resid 135 and name HA )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.830 ppm2 1.007 CV 1 OR { 639} (( segid " " and resid 135 and name HA )) ( segid " " and resid 136 and name HG1%) OR { 639} (( segid " " and resid 135 and name HA )) ( segid " " and resid 136 and name HG2%) ASSI { 641} (( segid " " and resid 147 and name HA )) (( segid " " and resid 151 and name HN )) 6.000 4.500 0.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.671 ppm2 7.553 CV 1 OR { 641} (( segid " " and resid 147 and name HA )) (( segid " " and resid 148 and name HN )) ASSI { 659} (( segid " " and resid 31 and name HA )) ( segid " " and resid 60 and name HD1%) 6.000 4.500 0.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.930 ppm2 0.708 CV 1 OR { 659} (( segid " " and resid 31 and name HA )) ( segid " " and resid 64 and name HD1%) OR { 659} (( segid " " and resid 31 and name HA )) ( segid " " and resid 64 and name HD2%) ASSI { 685} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HN )) 6.000 4.500 0.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.817 ppm2 8.643 CV 1 OR { 685} (( segid " " and resid 125 and name HA )) (( segid " " and resid 129 and name HN )) ASSI { 687} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.817 ppm2 1.966 CV 1 OR { 687} (( segid " " and resid 125 and name HA )) (( segid " " and resid 118 and name HB2 )) ASSI { 689} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.815 ppm2 0.942 CV 1 OR { 689} (( segid " " and resid 125 and name HA )) (( segid " " and resid 143 and name HG )) ASSI { 696} (( segid " " and resid 147 and name HA )) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.665 ppm2 0.454 CV 1 OR { 696} (( segid " " and resid 147 and name HA )) ( segid " " and resid 125 and name HD1%) ASSI { 701} (( segid " " and resid 4 and name HA )) (( segid " " and resid 58 and name HN )) 6.000 4.500 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.599 ppm2 9.137 CV 1 OR { 701} (( segid " " and resid 4 and name HA )) (( segid " " and resid 34 and name HN )) ASSI { 702} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HN )) 6.000 4.500 0.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.603 ppm2 8.601 CV 1 OR { 702} (( segid " " and resid 4 and name HA )) (( segid " " and resid 59 and name HN )) ASSI { 704} (( segid " " and resid 4 and name HA )) (( segid " " and resid 100 and name HB2 )) 6.000 4.500 0.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.603 ppm2 2.004 CV 1 OR { 704} (( segid " " and resid 4 and name HA )) (( segid " " and resid 128 and name HB1 )) ASSI { 705} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HB )) 6.000 4.500 0.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.602 ppm2 1.745 CV 1 OR { 705} (( segid " " and resid 4 and name HA )) ( segid " " and resid 6 and name HB% ) ASSI { 708} (( segid " " and resid 4 and name HA )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.599 ppm2 0.851 CV 1 OR { 708} (( segid " " and resid 4 and name HA )) ( segid " " and resid 33 and name HD1%) ASSI { 709} (( segid " " and resid 4 and name HA )) ( segid " " and resid 132 and name HB% ) 6.000 4.500 0.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.591 ppm2 0.971 CV 1 OR { 709} (( segid " " and resid 4 and name HA )) ( segid " " and resid 58 and name HG2%) OR { 709} (( segid " " and resid 4 and name HA )) (( segid " " and resid 98 and name HG11)) OR { 709} (( segid " " and resid 4 and name HA )) ( segid " " and resid 58 and name HG1%) ASSI { 723} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HN )) 6.000 4.500 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.809 ppm2 6.497 CV 1 OR { 723} (( segid " " and resid 125 and name HA )) (( segid " " and resid 124 and name HN )) ASSI { 724} (( segid " " and resid 125 and name HA )) (( segid " " and resid 144 and name HG2 )) 6.000 4.500 0.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.810 ppm2 1.590 CV 1 OR { 724} (( segid " " and resid 125 and name HA )) (( segid " " and resid 131 and name HG11)) OR { 724} (( segid " " and resid 125 and name HA )) (( segid " " and resid 146 and name HG11)) ASSI { 731} (( segid " " and resid 70 and name HA )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.561 ppm2 1.080 CV 1 OR { 731} (( segid " " and resid 19 and name HA )) ( segid " " and resid 22 and name HD2%) ASSI { 759} (( segid " " and resid 157 and name HA )) (( segid " " and resid 158 and name HB1 )) 6.000 4.500 0.000 peak 759 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.456 ppm2 2.818 CV 1 OR { 759} (( segid " " and resid 157 and name HA )) (( segid " " and resid 39 and name HB1 )) ASSI { 770} (( segid " " and resid 34 and name HA )) ( segid " " and resid 35 and name HG2%) 6.000 4.500 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.500 ppm2 1.233 CV 1 OR { 770} (( segid " " and resid 34 and name HA )) ( segid " " and resid 59 and name HB% ) ASSI { 776} (( segid " " and resid 84 and name HA )) ( segid " " and resid 83 and name HG1%) 6.000 4.500 0.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.296 ppm2 0.949 CV 1 OR { 776} (( segid " " and resid 84 and name HA )) ( segid " " and resid 83 and name HG2%) OR { 776} (( segid " " and resid 71 and name HA )) ( segid " " and resid 96 and name HD2%) OR { 776} (( segid " " and resid 71 and name HA )) ( segid " " and resid 69 and name HD1%) ASSI { 787} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HN )) 6.000 4.500 0.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.238 ppm2 8.506 CV 1 OR { 787} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) ASSI { 802} (( segid " " and resid 80 and name HA )) (( segid " " and resid 76 and name HB )) 6.000 4.500 0.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.607 ppm2 1.875 CV 1 OR { 802} (( segid " " and resid 80 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 814} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HN )) 6.000 4.500 0.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.183 ppm2 8.582 CV 1 OR { 814} (( segid " " and resid 20 and name HA )) (( segid " " and resid 22 and name HN )) ASSI { 818} (( segid " " and resid 24 and name HA )) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.180 ppm2 7.585 CV 1 OR { 818} (( segid " " and resid 20 and name HA )) (( segid " " and resid 81 and name HN )) OR { 818} (( segid " " and resid 20 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 819} (( segid " " and resid 24 and name HA )) (( segid " " and resid 27 and name HB1 )) 6.000 4.500 0.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.182 ppm2 2.903 CV 1 OR { 819} (( segid " " and resid 20 and name HA )) (( segid " " and resid 19 and name HB1 )) ASSI { 820} (( segid " " and resid 24 and name HA )) (( segid " " and resid 27 and name HB2 )) 6.000 4.500 0.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.177 ppm2 2.576 CV 1 OR { 820} (( segid " " and resid 20 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 821} (( segid " " and resid 24 and name HA )) (( segid " " and resid 76 and name HG11)) 6.000 4.500 0.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.181 ppm2 2.082 CV 1 OR { 821} (( segid " " and resid 20 and name HA )) (( segid " " and resid 76 and name HG11)) OR { 821} (( segid " " and resid 24 and name HA )) (( segid " " and resid 76 and name HG12)) OR { 821} (( segid " " and resid 20 and name HA )) (( segid " " and resid 76 and name HG12)) ASSI { 822} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HB2 )) 6.000 4.500 0.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.181 ppm2 1.939 CV 1 OR { 822} (( segid " " and resid 24 and name HA )) (( segid " " and resid 23 and name HB1 )) OR { 822} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HB1 )) OR { 822} (( segid " " and resid 24 and name HA )) (( segid " " and resid 23 and name HB2 )) ASSI { 824} (( segid " " and resid 24 and name HA )) ( segid " " and resid 24 and name HB% ) 6.000 4.500 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.184 ppm2 1.520 CV 1 OR { 824} (( segid " " and resid 20 and name HA )) ( segid " " and resid 20 and name HB% ) ASSI { 825} (( segid " " and resid 24 and name HA )) ( segid " " and resid 73 and name HG2%) 6.000 4.500 0.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.178 ppm2 1.067 CV 1 OR { 825} (( segid " " and resid 20 and name HA )) ( segid " " and resid 22 and name HD2%) ASSI { 832} (( segid " " and resid 21 and name HA )) (( segid " " and resid 80 and name HB2 )) 6.000 4.500 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.959 ppm2 2.295 CV 1 OR { 832} (( segid " " and resid 21 and name HA )) (( segid " " and resid 80 and name HB1 )) OR { 832} (( segid " " and resid 21 and name HA )) (( segid " " and resid 75 and name HB1 )) ASSI { 868} (( segid " " and resid 64 and name HA )) (( segid " " and resid 68 and name HG1 )) 6.000 4.500 0.000 peak 868 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.233 ppm2 2.416 CV 1 OR { 868} (( segid " " and resid 64 and name HA )) (( segid " " and resid 68 and name HG2 )) OR { 868} (( segid " " and resid 64 and name HA )) (( segid " " and resid 30 and name HB1 )) ASSI { 869} (( segid " " and resid 11 and name HA )) (( segid " " and resid 91 and name HG1 )) 6.000 4.500 0.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.232 ppm2 1.980 CV 1 OR { 869} (( segid " " and resid 64 and name HA )) (( segid " " and resid 30 and name HB2 )) OR { 869} (( segid " " and resid 64 and name HA )) (( segid " " and resid 29 and name HG2 )) ASSI { 879} (( segid " " and resid 64 and name HA )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.217 ppm2 1.276 CV 1 OR { 879} (( segid " " and resid 64 and name HA )) (( segid " " and resid 66 and name HB2 )) ASSI { 891} (( segid " " and resid 155 and name HA )) (( segid " " and resid 156 and name HB1 )) 6.000 4.500 0.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.503 ppm2 2.873 CV 1 OR { 891} (( segid " " and resid 155 and name HA )) (( segid " " and resid 40 and name HB2 )) ASSI { 899} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HN )) 6.000 4.500 0.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.282 ppm2 7.040 CV 1 OR { 899} (( segid " " and resid 121 and name HA )) (( segid " " and resid 123 and name HN )) ASSI { 901} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HD1 )) 6.000 4.500 0.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.275 ppm2 2.561 CV 1 OR { 901} (( segid " " and resid 121 and name HA )) (( segid " " and resid 120 and name HB1 )) ASSI { 906} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HN )) 6.000 4.500 0.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.036 ppm2 8.457 CV 1 OR { 906} (( segid " " and resid 86 and name HA )) (( segid " " and resid 87 and name HN )) ASSI { 932} (( segid " " and resid 55 and name HA )) ( segid " " and resid 56 and name HB% ) 6.000 4.500 0.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.126 ppm2 1.438 CV 1 OR { 932} (( segid " " and resid 55 and name HA )) (( segid " " and resid 7 and name HB )) ASSI { 937} (( segid " " and resid 107 and name HA )) (( segid " " and resid 106 and name HA )) 6.000 4.500 0.000 peak 937 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.506 ppm2 4.296 CV 1 OR { 937} (( segid " " and resid 107 and name HA )) (( segid " " and resid 113 and name HA )) ASSI { 960} (( segid " " and resid 97 and name HA )) (( segid " " and resid 96 and name HB1 )) 6.000 4.500 0.000 peak 960 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.523 ppm2 2.072 CV 1 OR { 960} (( segid " " and resid 97 and name HA )) (( segid " " and resid 98 and name HB )) ASSI { 963} (( segid " " and resid 103 and name HA )) ( segid " " and resid 100 and name HD2%) 6.000 4.500 0.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.180 ppm2 1.041 CV 1 OR { 963} (( segid " " and resid 103 and name HA )) ( segid " " and resid 105 and name HG2%) ASSI { 969} (( segid " " and resid 103 and name HA )) (( segid " " and resid 138 and name HG1 )) 6.000 4.500 0.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.161 ppm2 1.999 CV 1 OR { 969} (( segid " " and resid 103 and name HA )) (( segid " " and resid 100 and name HB2 )) OR { 969} (( segid " " and resid 103 and name HA )) (( segid " " and resid 138 and name HG2 )) ASSI { 973} (( segid " " and resid 57 and name HA )) (( segid " " and resid 127 and name HB2 )) 6.000 4.500 0.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.664 ppm2 1.954 CV 1 OR { 973} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HB )) ASSI { 978} (( segid " " and resid 57 and name HA )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.658 ppm2 1.749 CV 1 OR { 978} (( segid " " and resid 57 and name HA )) (( segid " " and resid 5 and name HB )) ASSI { 994} (( segid " " and resid 43 and name HD2 )) ( segid " " and resid 45 and name HD1%) 6.000 4.500 0.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.832 ppm2 0.909 CV 1 OR { 994} (( segid " " and resid 43 and name HD1 )) ( segid " " and resid 45 and name HD1%) OR { 994} (( segid " " and resid 43 and name HD1 )) (( segid " " and resid 155 and name HG )) OR { 994} (( segid " " and resid 43 and name HD2 )) (( segid " " and resid 155 and name HG )) ASSI { 1001} (( segid " " and resid 138 and name HD2 )) ( segid " " and resid 100 and name HD2%) 6.000 4.500 0.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.027 ppm2 1.042 CV 1 OR { 1001} (( segid " " and resid 138 and name HD1 )) ( segid " " and resid 100 and name HD2%) OR { 1001} (( segid " " and resid 138 and name HD2 )) ( segid " " and resid 136 and name HG1%) OR { 1001} (( segid " " and resid 138 and name HD2 )) ( segid " " and resid 136 and name HG2%) ASSI { 1002} (( segid " " and resid 138 and name HD1 )) (( segid " " and resid 138 and name HB1 )) 6.000 4.500 0.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.011 ppm2 2.403 CV 1 OR { 1002} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 14 and name HB2 )) OR { 1002} (( segid " " and resid 14 and name HD1 )) (( segid " " and resid 14 and name HB2 )) OR { 1002} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 138 and name HB1 )) ASSI { 1003} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 137 and name HA )) 6.000 4.500 0.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.003 ppm2 4.292 CV 1 OR { 1003} (( segid " " and resid 14 and name HD1 )) (( segid " " and resid 14 and name HA )) OR { 1003} (( segid " " and resid 138 and name HD1 )) (( segid " " and resid 137 and name HA )) OR { 1003} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 14 and name HA )) ASSI { 1031} (( segid " " and resid 138 and name HD1 )) (( segid " " and resid 114 and name HG1 )) 6.000 4.500 0.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.038 ppm2 2.451 CV 1 OR { 1031} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 114 and name HG1 )) OR { 1031} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 145 and name HG1 )) ASSI { 1036} (( segid " " and resid 44 and name HD1 )) (( segid " " and resid 43 and name HG1 )) 6.000 4.500 0.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.951 ppm2 2.130 CV 1 OR { 1036} (( segid " " and resid 44 and name HD1 )) (( segid " " and resid 50 and name HB2 )) ASSI { 1074} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 132 and name HN )) 6.000 4.500 0.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.102 ppm2 8.305 CV 1 OR { 1074} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 134 and name HN )) ASSI { 1087} (( segid " " and resid 133 and name HD2 )) (( segid " " and resid 135 and name HN )) 6.000 4.500 0.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.412 ppm2 7.232 CV 1 OR { 1087} (( segid " " and resid 133 and name HD2 )) ( segid " " and resid 129 and name HD% ) ASSI { 1093} (( segid " " and resid 133 and name HD2 )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.401 ppm2 8.300 CV 1 OR { 1093} (( segid " " and resid 133 and name HD2 )) (( segid " " and resid 132 and name HN )) ASSI { 1124} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 123 and name HN )) 6.000 4.500 0.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.802 ppm2 7.064 CV 1 OR { 1124} (( segid " " and resid 122 and name HA1 )) ( segid " " and resid 152 and name HD% ) ASSI { 1126} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 155 and name HG )) 6.000 4.500 0.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.806 ppm2 0.936 CV 1 OR { 1126} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 125 and name HB1 )) ASSI { 1136} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 25 and name HD2%) 6.000 4.500 0.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.002 ppm2 0.801 CV 1 OR { 1136} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 25 and name HD1%) OR { 1136} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 28 and name HD1%) ASSI { 1144} (( segid " " and resid 81 and name HA1 )) (( segid " " and resid 94 and name HB2 )) 6.000 4.500 0.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.124 ppm2 1.397 CV 1 OR { 1144} (( segid " " and resid 81 and name HA1 )) ( segid " " and resid 86 and name HB% ) OR { 1144} (( segid " " and resid 81 and name HA2 )) ( segid " " and resid 86 and name HB% ) ASSI { 1176} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 56 and name HN )) 6.000 4.500 0.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.748 ppm2 9.192 CV 1 OR { 1176} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 95 and name HN )) ASSI { 1209} (( segid " " and resid 121 and name HD1 )) (( segid " " and resid 121 and name HN )) 6.000 4.500 0.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.575 ppm2 7.039 CV 1 OR { 1209} (( segid " " and resid 121 and name HD1 )) (( segid " " and resid 123 and name HN )) ASSI { 1236} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 18 and name HB )) 6.000 4.500 0.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.266 ppm2 1.576 CV 1 OR { 1236} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HB2 )) OR { 1236} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 15 and name HB2 )) OR { 1236} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 18 and name HB )) ASSI { 1257} (( segid " " and resid 75 and name HD1 )) (( segid " " and resid 72 and name HD2 )) 6.000 4.500 0.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.158 ppm2 7.184 CV 1 OR { 1257} (( segid " " and resid 75 and name HD1 )) (( segid " " and resid 71 and name HD21)) ASSI { 1298} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.521 ppm2 1.243 CV 1 OR { 1298} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 35 and name HG2%) ASSI { 1321} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 68 and name HB1 )) 6.000 4.500 0.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.473 ppm2 2.180 CV 1 OR { 1321} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 69 and name HB1 )) ASSI { 1332} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 70 and name HB2 )) 6.000 4.500 0.000 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.962 ppm2 1.014 CV 1 OR { 1332} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 69 and name HG )) ASSI { 1344} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 136 and name HN )) 6.000 4.500 0.000 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.724 ppm2 8.385 CV 1 OR { 1344} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 65 and name HN )) ASSI { 1347} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 68 and name HB1 )) 6.000 4.500 0.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.724 ppm2 2.169 CV 1 OR { 1347} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 69 and name HB1 )) ASSI { 1381} (( segid " " and resid 150 and name HD2 )) ( segid " " and resid 146 and name HG2%) 6.000 4.500 0.000 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.946 ppm2 0.745 CV 1 OR { 1381} (( segid " " and resid 157 and name HE1 )) (( segid " " and resid 154 and name HG2 )) OR { 1381} (( segid " " and resid 157 and name HE2 )) (( segid " " and resid 154 and name HG2 )) ASSI { 1382} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 28 and name HB )) 6.000 4.500 0.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.915 ppm2 1.552 CV 1 OR { 1382} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 33 and name HG12)) OR { 1382} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 33 and name HG11)) ASSI { 1386} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HA )) 6.000 4.500 0.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.127 ppm2 3.892 CV 1 OR { 1386} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 26 and name HA2 )) OR { 1386} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 26 and name HA1 )) ASSI { 1390} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 125 and name HA )) 6.000 4.500 0.000 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.978 ppm2 3.823 CV 1 OR { 1390} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HA )) ASSI { 1396} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 99 and name HG1 )) 6.000 4.500 0.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.339 ppm2 2.162 CV 1 OR { 1396} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 118 and name HG2 )) ASSI { 1399} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.318 ppm2 0.955 CV 1 OR { 1399} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 125 and name HB1 )) ASSI { 1411} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HG )) 6.000 4.500 0.000 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.212 ppm2 1.947 CV 1 OR { 1411} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 127 and name HB2 )) OR { 1411} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 58 and name HB )) ASSI { 1433} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 143 and name HB1 )) 6.000 4.500 0.000 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.996 ppm2 1.325 CV 1 OR { 1433} (( segid " " and resid 128 and name HB1 )) ( segid " " and resid 57 and name HB% ) ASSI { 1445} (( segid " " and resid 5 and name HB )) ( segid " " and resid 58 and name HG2%) 6.000 4.500 0.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.733 ppm2 0.962 CV 1 OR { 1445} (( segid " " and resid 5 and name HB )) ( segid " " and resid 58 and name HG1%) OR { 1445} (( segid " " and resid 5 and name HB )) ( segid " " and resid 69 and name HD2%) ASSI { 1446} (( segid " " and resid 5 and name HB )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.733 ppm2 0.827 CV 1 OR { 1446} (( segid " " and resid 5 and name HB )) ( segid " " and resid 25 and name HD2%) ASSI { 1447} (( segid " " and resid 5 and name HB )) (( segid " " and resid 25 and name HG )) 6.000 4.500 0.000 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.721 ppm2 1.908 CV 1 OR { 1447} (( segid " " and resid 5 and name HB )) (( segid " " and resid 98 and name HG12)) ASSI { 1455} (( segid " " and resid 106 and name HB )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.432 ppm2 0.881 CV 1 OR { 1455} (( segid " " and resid 106 and name HB )) (( segid " " and resid 111 and name HB2 )) OR { 1455} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 76 and name HG2%) ASSI { 1456} (( segid " " and resid 106 and name HB )) ( segid " " and resid 111 and name HD1%) 6.000 4.500 0.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.436 ppm2 0.289 CV 1 OR { 1456} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 18 and name HG1%) ASSI { 1468} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 24 and name HB% ) 6.000 4.500 0.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.565 ppm2 1.525 CV 1 OR { 1468} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HB )) ASSI { 1479} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 69 and name HB2 )) 6.000 4.500 0.000 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.862 ppm2 1.326 CV 1 OR { 1479} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 111 and name HB1 )) ASSI { 1480} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.853 ppm2 1.286 CV 1 OR { 1480} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 69 and name HB2 )) ASSI { 1484} (( segid " " and resid 5 and name HB )) (( segid " " and resid 58 and name HB )) 6.000 4.500 0.000 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.744 ppm2 1.951 CV 1 OR { 1484} (( segid " " and resid 5 and name HB )) (( segid " " and resid 25 and name HG )) ASSI { 1485} (( segid " " and resid 5 and name HB )) ( segid " " and resid 60 and name HD2%) 6.000 4.500 0.000 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.733 ppm2 0.679 CV 1 OR { 1485} (( segid " " and resid 5 and name HB )) ( segid " " and resid 7 and name HD1%) ASSI { 1494} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 151 and name HN )) 6.000 4.500 0.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.081 ppm2 7.562 CV 1 OR { 1494} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 148 and name HN )) ASSI { 1501} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 69 and name HD2%) 6.000 4.500 0.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.993 ppm2 0.951 CV 1 OR { 1501} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 69 and name HD1%) OR { 1501} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 96 and name HB2 )) ASSI { 1502} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.993 ppm2 0.787 CV 1 OR { 1502} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 98 and name HG2%) OR { 1502} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 28 and name HD1%) ASSI { 1504} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.673 ppm2 7.562 CV 1 OR { 1504} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 151 and name HN )) ASSI { 1519} (( segid " " and resid 97 and name HB1 )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.536 ppm2 1.749 CV 1 OR { 1519} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 5 and name HB )) ASSI { 1530} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 6 and name HB% ) 6.000 4.500 0.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.332 ppm2 1.747 CV 1 OR { 1530} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 5 and name HB )) ASSI { 1531} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 5 and name HG2%) 6.000 4.500 0.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.330 ppm2 0.814 CV 1 OR { 1531} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 98 and name HG2%) ASSI { 1545} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.006 ppm2 7.703 CV 1 OR { 1545} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 72 and name HN )) ASSI { 1570} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HG )) 6.000 4.500 0.000 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.442 ppm2 0.943 CV 1 OR { 1570} (( segid " " and resid 7 and name HB )) ( segid " " and resid 58 and name HG2%) OR { 1570} (( segid " " and resid 7 and name HB )) ( segid " " and resid 58 and name HG1%) ASSI { 1574} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 98 and name HB )) 6.000 4.500 0.000 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.723 ppm2 2.051 CV 1 OR { 1574} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 98 and name HB )) OR { 1574} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 142 and name HB1 )) ASSI { 1584} (( segid " " and resid 7 and name HB )) ( segid " " and resid 25 and name HD2%) 6.000 4.500 0.000 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.446 ppm2 0.808 CV 1 OR { 1584} (( segid " " and resid 7 and name HB )) ( segid " " and resid 5 and name HG2%) OR { 1584} (( segid " " and resid 7 and name HB )) ( segid " " and resid 25 and name HD1%) OR { 1584} (( segid " " and resid 7 and name HB )) (( segid " " and resid 94 and name HG )) ASSI { 1602} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 5 and name HN )) 6.000 4.500 0.000 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.738 ppm2 9.552 CV 1 OR { 1602} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 5 and name HN )) OR { 1602} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 99 and name HN )) ASSI { 1624} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.189 ppm2 0.744 CV 1 OR { 1624} (( segid " " and resid 69 and name HB1 )) ( segid " " and resid 60 and name HD1%) ASSI { 1630} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.290 ppm2 0.747 CV 1 OR { 1630} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 60 and name HD1%) OR { 1630} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 66 and name HG1 )) ASSI { 1637} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 41 and name HB1 )) 6.000 4.500 0.000 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.748 ppm2 1.709 CV 1 OR { 1637} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 155 and name HB1 )) OR { 1637} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 41 and name HB2 )) ASSI { 1650} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 112 and name HG2%) 6.000 4.500 0.000 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.665 ppm2 1.422 CV 1 OR { 1650} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 106 and name HB )) ASSI { 1652} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 106 and name HG2%) 6.000 4.500 0.000 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.674 ppm2 0.920 CV 1 OR { 1652} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HB2 )) ASSI { 1677} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.153 ppm2 0.942 CV 1 OR { 1677} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 143 and name HG )) ASSI { 1682} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 143 and name HG )) 6.000 4.500 0.000 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.892 ppm2 0.945 CV 1 OR { 1682} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 125 and name HB1 )) ASSI { 1712} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 138 and name HG1 )) 6.000 4.500 0.000 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.986 ppm2 1.982 CV 1 OR { 1712} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 100 and name HB2 )) OR { 1712} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 138 and name HG2 )) ASSI { 1725} (( segid " " and resid 131 and name HB )) ( segid " " and resid 35 and name HG2%) 6.000 4.500 0.000 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.133 ppm2 1.235 CV 1 OR { 1725} (( segid " " and resid 131 and name HB )) ( segid " " and resid 59 and name HB% ) ASSI { 1739} (( segid " " and resid 33 and name HB )) (( segid " " and resid 26 and name HA2 )) 6.000 4.500 0.000 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.767 ppm2 3.877 CV 1 OR { 1739} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HA )) ASSI { 1773} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 22 and name HB1 )) 6.000 4.500 0.000 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.897 ppm2 1.445 CV 1 OR { 1773} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 23 and name HG1 )) ASSI { 1786} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 80 and name HB1 )) 6.000 4.500 0.000 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.669 ppm2 2.297 CV 1 OR { 1786} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 17 and name HG2 )) OR { 1786} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 80 and name HB2 )) OR { 1786} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 17 and name HG1 )) ASSI { 1793} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.964 ppm2 0.779 CV 1 OR { 1793} (( segid " " and resid 67 and name HG1 )) ( segid " " and resid 98 and name HG2%) ASSI { 1833} (( segid " " and resid 113 and name HB )) ( segid " " and resid 105 and name HG1%) 6.000 4.500 0.000 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.864 ppm2 1.019 CV 1 OR { 1833} (( segid " " and resid 113 and name HB )) ( segid " " and resid 105 and name HG2%) OR { 1833} (( segid " " and resid 113 and name HB )) (( segid " " and resid 106 and name HG12)) ASSI { 1834} (( segid " " and resid 113 and name HB )) ( segid " " and resid 113 and name HG1%) 6.000 4.500 0.000 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.864 ppm2 0.867 CV 1 OR { 1834} (( segid " " and resid 76 and name HB )) ( segid " " and resid 76 and name HG2%) ASSI { 1840} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 126 and name HB2 )) 6.000 4.500 0.000 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.171 ppm2 3.019 CV 1 OR { 1840} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 154 and name HA )) ASSI { 1861} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 77 and name HB1 )) 6.000 4.500 0.000 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.045 ppm2 1.862 CV 1 OR { 1861} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HB2 )) ASSI { 1862} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.042 ppm2 1.594 CV 1 OR { 1862} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 96 and name HG )) ASSI { 1868} (( segid " " and resid 113 and name HB )) (( segid " " and resid 106 and name HB )) 6.000 4.500 0.000 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.853 ppm2 1.412 CV 1 OR { 1868} (( segid " " and resid 113 and name HB )) ( segid " " and resid 112 and name HG2%) ASSI { 1873} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.043 ppm2 7.691 CV 1 OR { 1873} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 72 and name HN )) ASSI { 1875} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 68 and name HA )) 6.000 4.500 0.000 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.045 ppm2 4.301 CV 1 OR { 1875} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HA )) ASSI { 1899} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 80 and name HB1 )) 6.000 4.500 0.000 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.824 ppm2 2.317 CV 1 OR { 1899} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 17 and name HG1 )) OR { 1899} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 80 and name HB2 )) ASSI { 1901} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 106 and name HG11)) 6.000 4.500 0.000 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.589 ppm2 1.025 CV 1 OR { 1901} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 106 and name HG12)) OR { 1901} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 105 and name HG2%) OR { 1901} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 105 and name HG1%) ASSI { 1917} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.500 ppm2 1.041 CV 1 OR { 1917} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 106 and name HG11)) OR { 1917} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 106 and name HG12)) OR { 1917} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 105 and name HG1%) ASSI { 1920} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 17 and name HN )) 6.000 4.500 0.000 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.319 ppm2 8.188 CV 1 OR { 1920} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 15 and name HN )) ASSI { 1951} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HN )) 6.000 4.500 0.000 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.952 ppm2 9.147 CV 1 OR { 1951} (( segid " " and resid 58 and name HB )) (( segid " " and resid 34 and name HN )) ASSI { 1952} (( segid " " and resid 58 and name HB )) (( segid " " and resid 33 and name HB )) 6.000 4.500 0.000 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.954 ppm2 1.765 CV 1 OR { 1952} (( segid " " and resid 58 and name HB )) ( segid " " and resid 6 and name HB% ) ASSI { 1953} (( segid " " and resid 58 and name HB )) (( segid " " and resid 7 and name HB )) 6.000 4.500 0.000 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.956 ppm2 1.485 CV 1 OR { 1953} (( segid " " and resid 58 and name HB )) ( segid " " and resid 56 and name HB% ) ASSI { 1954} (( segid " " and resid 58 and name HB )) (( segid " " and resid 5 and name HG11)) 6.000 4.500 0.000 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.953 ppm2 1.090 CV 1 OR { 1954} (( segid " " and resid 58 and name HB )) ( segid " " and resid 36 and name HG1%) OR { 1954} (( segid " " and resid 58 and name HB )) ( segid " " and resid 22 and name HD2%) ASSI { 1956} (( segid " " and resid 58 and name HB )) ( segid " " and resid 7 and name HD1%) 6.000 4.500 0.000 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.958 ppm2 0.678 CV 1 OR { 1956} (( segid " " and resid 58 and name HB )) ( segid " " and resid 60 and name HD2%) ASSI { 1960} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 71 and name HN )) 6.000 4.500 0.000 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.395 ppm2 7.704 CV 1 OR { 1960} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 71 and name HN )) OR { 1960} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 72 and name HN )) ASSI { 1961} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 47 and name HB1 )) 6.000 4.500 0.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.394 ppm2 1.911 CV 1 OR { 1961} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 44 and name HG2 )) OR { 1961} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 44 and name HG2 )) ASSI { 1967} (( segid " " and resid 87 and name HG2 )) ( segid " " and resid 86 and name HB% ) 6.000 4.500 0.000 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.241 ppm2 1.429 CV 1 OR { 1967} (( segid " " and resid 109 and name HG1 )) ( segid " " and resid 112 and name HG2%) OR { 1967} (( segid " " and resid 109 and name HG1 )) ( segid " " and resid 65 and name HB% ) ASSI { 1994} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 70 and name HB1 )) 6.000 4.500 0.000 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.917 ppm2 1.887 CV 1 OR { 1994} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 75 and name HB2 )) ASSI { 2040} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 99 and name HG2 )) 6.000 4.500 0.000 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.104 ppm2 2.636 CV 1 OR { 2040} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 99 and name HG2 )) OR { 2040} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 127 and name HB1 )) OR { 2040} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 127 and name HB1 )) ASSI { 2041} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HG1 )) 6.000 4.500 0.000 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.093 ppm2 2.455 CV 1 OR { 2041} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 121 and name HD2 )) ASSI { 2043} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 121 and name HG2 )) 6.000 4.500 0.000 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.087 ppm2 1.049 CV 1 OR { 2043} (( segid " " and resid 114 and name HB1 )) ( segid " " and resid 105 and name HG1%) OR { 2043} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 125 and name HB2 )) OR { 2043} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 121 and name HG2 )) OR { 2043} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 125 and name HB2 )) ASSI { 2053} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.611 ppm2 7.608 CV 1 OR { 2053} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 81 and name HN )) ASSI { 2057} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 78 and name HB2 )) 6.000 4.500 0.000 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.605 ppm2 1.550 CV 1 OR { 2057} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 20 and name HB% ) ASSI { 2073} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 121 and name HG1 )) 6.000 4.500 0.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.101 ppm2 1.403 CV 1 OR { 2073} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 121 and name HG1 )) OR { 2073} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 127 and name HG1 )) OR { 2073} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 127 and name HG1 )) ASSI { 2081} (( segid " " and resid 136 and name HB )) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.931 ppm2 3.826 CV 1 OR { 2081} (( segid " " and resid 136 and name HB )) (( segid " " and resid 125 and name HA )) ASSI { 2107} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.473 ppm2 1.792 CV 1 OR { 2107} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 146 and name HB )) OR { 2107} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 144 and name HB2 )) ASSI { 2108} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.475 ppm2 1.590 CV 1 OR { 2108} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 146 and name HG11)) OR { 2108} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 144 and name HG2 )) ASSI { 2111} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.469 ppm2 2.087 CV 1 OR { 2111} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 141 and name HG2 )) OR { 2111} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 142 and name HB1 )) ASSI { 2131} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.245 ppm2 1.824 CV 1 OR { 2131} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 146 and name HB )) ASSI { 2177} (( segid " " and resid 142 and name HG1 )) (( segid " " and resid 142 and name HB2 )) 6.000 4.500 0.000 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.799 ppm2 2.265 CV 1 OR { 2177} (( segid " " and resid 142 and name HG1 )) (( segid " " and resid 141 and name HG1 )) ASSI { 2210} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.367 ppm2 0.895 CV 1 OR { 2210} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 155 and name HG )) OR { 2210} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 155 and name HG )) ASSI { 2223} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 44 and name HA )) 6.000 4.500 0.000 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.168 ppm2 4.376 CV 1 OR { 2223} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HA )) OR { 2223} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 124 and name HA )) ASSI { 2254} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 69 and name HD1%) 6.000 4.500 0.000 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.419 ppm2 0.930 CV 1 OR { 2254} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 96 and name HD2%) OR { 2254} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 96 and name HD1%) ASSI { 2285} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HG1 )) 6.000 4.500 0.000 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.463 ppm2 0.486 CV 1 OR { 2285} (( segid " " and resid 119 and name HB1 )) ( segid " " and resid 146 and name HD1%) ASSI { 2299} (( segid " " and resid 138 and name HB1 )) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.388 ppm2 1.015 CV 1 OR { 2299} (( segid " " and resid 138 and name HB1 )) ( segid " " and resid 105 and name HG1%) OR { 2299} (( segid " " and resid 138 and name HB1 )) ( segid " " and resid 136 and name HG1%) OR { 2299} (( segid " " and resid 138 and name HB1 )) ( segid " " and resid 136 and name HG2%) ASSI { 2316} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 34 and name HG )) 6.000 4.500 0.000 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.115 ppm2 0.805 CV 1 OR { 2316} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 28 and name HD1%) OR { 2316} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 25 and name HD2%) OR { 2316} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 25 and name HD1%) ASSI { 2345} (( segid " " and resid 104 and name HB2 )) ( segid " " and resid 105 and name HG2%) 6.000 4.500 0.000 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.176 ppm2 1.020 CV 1 OR { 2345} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 106 and name HG11)) OR { 2345} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 106 and name HG12)) OR { 2345} (( segid " " and resid 104 and name HB2 )) ( segid " " and resid 105 and name HG1%) ASSI { 2362} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.602 ppm2 8.255 CV 1 OR { 2362} (( segid " " and resid 18 and name HB )) (( segid " " and resid 10 and name HN )) ASSI { 2369} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 121 and name HN )) 6.000 4.500 0.000 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.966 ppm2 7.038 CV 1 OR { 2369} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 123 and name HN )) ASSI { 2371} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 121 and name HN )) 6.000 4.500 0.000 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.387 ppm2 7.030 CV 1 OR { 2371} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 123 and name HN )) ASSI { 2378} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.584 ppm2 4.178 CV 1 OR { 2378} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 9 and name HA )) ASSI { 2389} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HA )) 6.000 4.500 0.000 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.941 ppm2 4.423 CV 1 OR { 2389} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 124 and name HA )) ASSI { 2413} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 145 and name HN )) 6.000 4.500 0.000 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.791 ppm2 6.742 CV 1 OR { 2413} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 126 and name HD1 )) ASSI { 2415} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 136 and name HN )) 6.000 4.500 0.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.764 ppm2 8.393 CV 1 OR { 2415} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 143 and name HN )) ASSI { 2425} (( segid " " and resid 18 and name HB )) (( segid " " and resid 17 and name HN )) 6.000 4.500 0.000 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.585 ppm2 8.189 CV 1 OR { 2425} (( segid " " and resid 18 and name HB )) (( segid " " and resid 20 and name HN )) ASSI { 2428} (( segid " " and resid 84 and name HB1 )) ( segid " " and resid 83 and name HG2%) 6.000 4.500 0.000 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.592 ppm2 0.941 CV 1 OR { 2428} (( segid " " and resid 18 and name HB )) (( segid " " and resid 54 and name HB2 )) OR { 2428} (( segid " " and resid 18 and name HB )) (( segid " " and resid 15 and name HG )) OR { 2428} (( segid " " and resid 18 and name HB )) ( segid " " and resid 96 and name HD1%) OR { 2428} (( segid " " and resid 18 and name HB )) ( segid " " and resid 96 and name HD2%) ASSI { 2459} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 146 and name HB )) 6.000 4.500 0.000 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.146 ppm2 1.822 CV 1 OR { 2459} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 91 and name HB1 )) OR { 2459} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 91 and name HB1 )) ASSI { 2483} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 111 and name HG )) 6.000 4.500 0.000 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.261 ppm2 1.019 CV 1 OR { 2483} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 70 and name HB2 )) OR { 2483} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 69 and name HG )) ASSI { 2495} (( segid " " and resid 118 and name HG1 )) (( segid " " and resid 118 and name HA )) 6.000 4.500 0.000 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.294 ppm2 3.811 CV 1 OR { 2495} (( segid " " and resid 118 and name HG1 )) (( segid " " and resid 119 and name HA )) ASSI { 2524} (( segid " " and resid 118 and name HG2 )) ( segid " " and resid 125 and name HD1%) 6.000 4.500 0.000 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.155 ppm2 0.460 CV 1 OR { 2524} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 119 and name HG1 )) ASSI { 2526} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HD2 )) 6.000 4.500 0.000 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.262 ppm2 3.613 CV 1 OR { 2526} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 67 and name HA )) ASSI { 2529} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.259 ppm2 0.786 CV 1 OR { 2529} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 98 and name HG2%) ASSI { 2536} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HG1 )) 6.000 4.500 0.000 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.518 ppm2 0.768 CV 1 OR { 2536} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 98 and name HG2%) ASSI { 2554} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 131 and name HG12)) 6.000 4.500 0.000 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.261 ppm2 1.446 CV 1 OR { 2554} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 65 and name HB% ) ASSI { 2565} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 34 and name HG )) 6.000 4.500 0.000 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.724 ppm2 0.803 CV 1 OR { 2565} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 28 and name HD1%) ASSI { 2592} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 93 and name HN )) 6.000 4.500 0.000 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.016 ppm2 8.869 CV 1 OR { 2592} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 93 and name HN )) ASSI { 2604} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.573 ppm2 3.882 CV 1 OR { 2604} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 26 and name HA2 )) OR { 2604} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 26 and name HA2 )) OR { 2604} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 33 and name HA )) ASSI { 2605} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 33 and name HN )) 6.000 4.500 0.000 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.567 ppm2 9.159 CV 1 OR { 2605} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 33 and name HN )) OR { 2605} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 34 and name HN )) OR { 2605} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 34 and name HN )) ASSI { 2617} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 146 and name HG11)) 6.000 4.500 0.000 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.330 ppm2 1.584 CV 1 OR { 2617} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 144 and name HG2 )) ASSI { 2624} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 49 and name HN )) 6.000 4.500 0.000 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.228 ppm2 8.513 CV 1 OR { 2624} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HN )) ASSI { 2625} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HA )) 6.000 4.500 0.000 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.232 ppm2 4.229 CV 1 OR { 2625} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HA )) OR { 2625} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HA )) ASSI { 2635} (( segid " " and resid 28 and name HG11)) (( segid " " and resid 64 and name HG )) 6.000 4.500 0.000 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.072 ppm2 0.760 CV 1 OR { 2635} (( segid " " and resid 28 and name HG12)) (( segid " " and resid 64 and name HG )) OR { 2635} (( segid " " and resid 28 and name HG11)) ( segid " " and resid 33 and name HG2%) OR { 2635} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 94 and name HG )) OR { 2635} (( segid " " and resid 28 and name HG12)) ( segid " " and resid 33 and name HG2%) ASSI { 2641} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 85 and name HN )) 6.000 4.500 0.000 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.011 ppm2 8.351 CV 1 OR { 2641} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 85 and name HN )) OR { 2641} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 85 and name HN )) ASSI { 2642} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 93 and name HB )) 6.000 4.500 0.000 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.012 ppm2 4.395 CV 1 OR { 2642} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 93 and name HB )) ASSI { 2643} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HA )) 6.000 4.500 0.000 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.002 ppm2 4.229 CV 1 OR { 2643} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HA )) ASSI { 2645} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 49 and name HN )) 6.000 4.500 0.000 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.999 ppm2 8.502 CV 1 OR { 2645} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HN )) OR { 2645} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HN )) ASSI { 2646} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.996 ppm2 0.884 CV 1 OR { 2646} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 76 and name HG2%) ASSI { 2672} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 58 and name HB )) 6.000 4.500 0.000 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.552 ppm2 1.971 CV 1 OR { 2672} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 58 and name HB )) OR { 2672} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 36 and name HB )) ASSI { 2712} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.098 ppm2 7.627 CV 1 OR { 2712} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 81 and name HN )) ASSI { 2733} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HN )) 6.000 4.500 0.000 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.300 ppm2 8.284 CV 1 OR { 2733} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 77 and name HN )) OR { 2733} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 77 and name HN )) ASSI { 2759} (( segid " " and resid 98 and name HG12)) (( segid " " and resid 101 and name HB2 )) 6.000 4.500 0.000 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.876 ppm2 2.322 CV 1 OR { 2759} (( segid " " and resid 98 and name HG12)) (( segid " " and resid 99 and name HB2 )) OR { 2759} (( segid " " and resid 98 and name HG12)) (( segid " " and resid 99 and name HB1 )) ASSI { 2762} (( segid " " and resid 146 and name HG11)) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.605 ppm2 2.288 CV 1 OR { 2762} (( segid " " and resid 100 and name HG )) (( segid " " and resid 99 and name HB1 )) OR { 2762} (( segid " " and resid 100 and name HG )) (( segid " " and resid 99 and name HB2 )) OR { 2762} (( segid " " and resid 100 and name HG )) (( segid " " and resid 101 and name HB2 )) ASSI { 2771} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 128 and name HN )) 6.000 4.500 0.000 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.019 ppm2 6.497 CV 1 OR { 2771} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 124 and name HN )) ASSI { 2795} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HD2 )) 6.000 4.500 0.000 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.618 ppm2 3.251 CV 1 OR { 2795} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 148 and name HB2 )) OR { 2795} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HD1 )) OR { 2795} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HD1 )) OR { 2795} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HD2 )) ASSI { 2836} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 11 and name HG )) 6.000 4.500 0.000 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.028 ppm2 0.884 CV 1 OR { 2836} (( segid " " and resid 44 and name HG1 )) ( segid " " and resid 45 and name HD1%) ASSI { 2837} (( segid " " and resid 44 and name HG1 )) (( segid " " and resid 48 and name HN )) 6.000 4.500 0.000 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.019 ppm2 8.517 CV 1 OR { 2837} (( segid " " and resid 44 and name HG1 )) (( segid " " and resid 49 and name HN )) ASSI { 2838} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 124 and name HA )) 6.000 4.500 0.000 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.020 ppm2 4.415 CV 1 OR { 2838} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HA )) ASSI { 2840} (( segid " " and resid 44 and name HG1 )) (( segid " " and resid 51 and name HB1 )) 6.000 4.500 0.000 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.022 ppm2 2.311 CV 1 OR { 2840} (( segid " " and resid 44 and name HG1 )) (( segid " " and resid 47 and name HB2 )) OR { 2840} (( segid " " and resid 44 and name HG1 )) (( segid " " and resid 50 and name HG2 )) ASSI { 2842} (( segid " " and resid 44 and name HG1 )) (( segid " " and resid 48 and name HE22)) 6.000 4.500 0.000 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.009 ppm2 7.615 CV 1 OR { 2842} (( segid " " and resid 44 and name HG1 )) (( segid " " and resid 50 and name HN )) ASSI { 2846} (( segid " " and resid 44 and name HG2 )) (( segid " " and resid 50 and name HN )) 6.000 4.500 0.000 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.937 ppm2 7.625 CV 1 OR { 2846} (( segid " " and resid 44 and name HG2 )) (( segid " " and resid 48 and name HE22)) ASSI { 2880} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 151 and name HN )) 6.000 4.500 0.000 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.510 ppm2 7.556 CV 1 OR { 2880} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 148 and name HN )) ASSI { 2881} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 120 and name HN )) 6.000 4.500 0.000 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.499 ppm2 7.515 CV 1 OR { 2881} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 118 and name HN )) ASSI { 2932} (( segid " " and resid 25 and name HG )) (( segid " " and resid 25 and name HN )) 6.000 4.500 0.000 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.928 ppm2 8.980 CV 1 OR { 2932} (( segid " " and resid 25 and name HG )) (( segid " " and resid 32 and name HN )) ASSI { 2957} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 151 and name HN )) 6.000 4.500 0.000 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.434 ppm2 7.573 CV 1 OR { 2957} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 148 and name HN )) ASSI { 2972} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 85 and name HB2 )) 6.000 4.500 0.000 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.201 ppm2 1.789 CV 1 OR { 2972} (( segid " " and resid 135 and name HG )) (( segid " " and resid 100 and name HB1 )) ASSI { 2991} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 29 and name HB2 )) 6.000 4.500 0.000 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.699 ppm2 2.380 CV 1 OR { 2991} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 29 and name HB2 )) OR { 2991} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 30 and name HB1 )) OR { 2991} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 30 and name HB1 )) ASSI { 2998} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 30 and name HG2 )) 6.000 4.500 0.000 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.692 ppm2 2.182 CV 1 OR { 2998} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 68 and name HB1 )) OR { 2998} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 68 and name HB1 )) OR { 2998} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 30 and name HG2 )) ASSI { 3002} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 110 and name HG2 )) 6.000 4.500 0.000 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.470 ppm2 1.456 CV 1 OR { 3002} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 21 and name HB% ) ASSI { 3003} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 96 and name HG )) 6.000 4.500 0.000 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.461 ppm2 1.630 CV 1 OR { 3003} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 110 and name HB2 )) ASSI { 3025} (( segid " " and resid 135 and name HG )) (( segid " " and resid 136 and name HN )) 6.000 4.500 0.000 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.205 ppm2 8.399 CV 1 OR { 3025} (( segid " " and resid 135 and name HG )) (( segid " " and resid 143 and name HN )) ASSI { 3045} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 110 and name HA )) 6.000 4.500 0.000 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.456 ppm2 4.223 CV 1 OR { 3045} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 73 and name HA )) ASSI { 3051} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 98 and name HG2%) 6.000 4.500 0.000 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.456 ppm2 0.796 CV 1 OR { 3051} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 66 and name HG1 )) OR { 3051} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 25 and name HD1%) ASSI { 3067} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.451 ppm2 1.838 CV 1 OR { 3067} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 138 and name HB2 )) ASSI { 3089} (( segid " " and resid 111 and name HG )) (( segid " " and resid 98 and name HG12)) 6.000 4.500 0.000 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.040 ppm2 1.877 CV 1 OR { 3089} (( segid " " and resid 111 and name HG )) (( segid " " and resid 113 and name HB )) ASSI { 3100} (( segid " " and resid 147 and name HG )) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.887 ppm2 1.803 CV 1 OR { 3100} (( segid " " and resid 147 and name HG )) (( segid " " and resid 146 and name HB )) ASSI { 3109} (( segid " " and resid 34 and name HG )) (( segid " " and resid 3 and name HN )) 6.000 4.500 0.000 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.797 ppm2 9.294 CV 1 OR { 3109} (( segid " " and resid 34 and name HG )) (( segid " " and resid 60 and name HN )) ASSI { 3115} (( segid " " and resid 34 and name HG )) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.786 ppm2 4.215 CV 1 OR { 3115} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 110 and name HA )) OR { 3115} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 64 and name HA )) ASSI { 3159} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 128 and name HA )) 6.000 4.500 0.000 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.559 ppm2 3.814 CV 1 OR { 3159} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 128 and name HA )) OR { 3159} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 125 and name HA )) ASSI { 3170} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 55 and name HB1 )) 6.000 4.500 0.000 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.525 ppm2 3.162 CV 1 OR { 3170} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 41 and name HD2 )) ASSI { 3177} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HB1 )) 6.000 4.500 0.000 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.521 ppm2 0.630 CV 1 OR { 3177} ( segid " " and resid 54 and name HD1%) ( segid " " and resid 18 and name HG2%) ASSI { 3197} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 98 and name HG12)) 6.000 4.500 0.000 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.286 ppm2 1.851 CV 1 OR { 3197} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 113 and name HB )) ASSI { 3213} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 39 and name HB1 )) 6.000 4.500 0.000 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.520 ppm2 2.811 CV 1 OR { 3213} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 158 and name HB1 )) ASSI { 3223} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.642 ppm2 3.869 CV 1 OR { 3223} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 25 and name HA )) ASSI { 3226} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 5 and name HG12)) 6.000 4.500 0.000 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.643 ppm2 1.558 CV 1 OR { 3226} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 28 and name HB )) ASSI { 3234} ( segid " " and resid 135 and name HD2%) (( segid " " and resid 128 and name HB1 )) 6.000 4.500 0.000 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.374 ppm2 1.965 CV 1 OR { 3234} ( segid " " and resid 135 and name HD2%) (( segid " " and resid 136 and name HB )) ASSI { 3259} (( segid " " and resid 143 and name HG )) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.942 ppm2 4.082 CV 1 OR { 3259} (( segid " " and resid 15 and name HG )) (( segid " " and resid 16 and name HA )) ASSI { 3260} (( segid " " and resid 143 and name HG )) (( segid " " and resid 125 and name HA )) 6.000 4.500 0.000 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.945 ppm2 3.830 CV 1 OR { 3260} (( segid " " and resid 143 and name HG )) (( segid " " and resid 128 and name HA )) ASSI { 3261} (( segid " " and resid 143 and name HG )) (( segid " " and resid 99 and name HG1 )) 6.000 4.500 0.000 peak 3261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.945 ppm2 2.158 CV 1 OR { 3261} (( segid " " and resid 143 and name HG )) (( segid " " and resid 118 and name HG2 )) ASSI { 3269} ( segid " " and resid 60 and name HD2%) ( segid " " and resid 28 and name HD1%) 6.000 4.500 0.000 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.642 ppm2 0.795 CV 1 OR { 3269} ( segid " " and resid 60 and name HD2%) ( segid " " and resid 25 and name HD1%) ASSI { 3278} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.527 ppm2 4.172 CV 1 OR { 3278} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 24 and name HA )) ASSI { 3287} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 20 and name HA )) 6.000 4.500 0.000 peak 3287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.425 ppm2 4.174 CV 1 OR { 3287} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 24 and name HA )) ASSI { 3304} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HN )) 6.000 4.500 0.000 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.054 ppm2 7.482 CV 1 OR { 3304} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 139 and name HN )) ASSI { 3309} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 113 and name HA )) 6.000 4.500 0.000 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.056 ppm2 4.295 CV 1 OR { 3309} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 137 and name HA )) ASSI { 3316} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HB2 )) 6.000 4.500 0.000 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.056 ppm2 1.986 CV 1 OR { 3316} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 138 and name HG1 )) OR { 3316} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 138 and name HG2 )) ASSI { 3334} (( segid " " and resid 143 and name HG )) (( segid " " and resid 142 and name HB1 )) 6.000 4.500 0.000 peak 3334 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.950 ppm2 2.045 CV 1 OR { 3334} (( segid " " and resid 15 and name HG )) (( segid " " and resid 16 and name HB2 )) OR { 3334} (( segid " " and resid 15 and name HG )) (( segid " " and resid 16 and name HB1 )) ASSI { 3338} (( segid " " and resid 11 and name HG )) (( segid " " and resid 10 and name HN )) 6.000 4.500 0.000 peak 3338 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.890 ppm2 8.257 CV 1 OR { 3338} (( segid " " and resid 11 and name HG )) (( segid " " and resid 12 and name HN )) ASSI { 3348} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HA )) 6.000 4.500 0.000 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.822 ppm2 3.882 CV 1 OR { 3348} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 25 and name HA )) OR { 3348} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 33 and name HA )) OR { 3348} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 26 and name HA2 )) OR { 3348} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 33 and name HA )) ASSI { 3364} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 123 and name HN )) 6.000 4.500 0.000 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.469 ppm2 7.028 CV 1 OR { 3364} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 121 and name HN )) ASSI { 3369} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 147 and name HB2 )) 6.000 4.500 0.000 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.471 ppm2 1.088 CV 1 OR { 3369} ( segid " " and resid 147 and name HD1%) (( segid " " and resid 125 and name HB2 )) ASSI { 3390} ( segid " " and resid 111 and name HD2%) (( segid " " and resid 67 and name HB2 )) 6.000 4.500 0.000 peak 3390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.350 ppm2 1.857 CV 1 OR { 3390} ( segid " " and resid 111 and name HD2%) (( segid " " and resid 98 and name HG12)) OR { 3390} ( segid " " and resid 111 and name HD2%) (( segid " " and resid 67 and name HB1 )) OR { 3390} ( segid " " and resid 111 and name HD2%) (( segid " " and resid 113 and name HB )) ASSI { 3413} ( segid " " and resid 111 and name HD2%) ( segid " " and resid 65 and name HB% ) 6.000 4.500 0.000 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.352 ppm2 1.440 CV 1 OR { 3413} ( segid " " and resid 111 and name HD2%) (( segid " " and resid 106 and name HB )) ASSI { 3422} ( segid " " and resid 56 and name HB% ) ( segid " " and resid 36 and name HG1%) 6.000 4.500 0.000 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.451 ppm2 1.086 CV 1 OR { 3422} ( segid " " and resid 56 and name HB% ) ( segid " " and resid 22 and name HD2%) ASSI { 3423} ( segid " " and resid 56 and name HB% ) ( segid " " and resid 18 and name HG2%) 6.000 4.500 0.000 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.451 ppm2 0.663 CV 1 OR { 3423} ( segid " " and resid 56 and name HB% ) ( segid " " and resid 7 and name HD1%) ASSI { 3424} ( segid " " and resid 56 and name HB% ) ( segid " " and resid 18 and name HG1%) 6.000 4.500 0.000 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.450 ppm2 0.292 CV 1 OR { 3424} ( segid " " and resid 56 and name HB% ) (( segid " " and resid 128 and name HG )) ASSI { 3429} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 20 and name HN )) 6.000 4.500 0.000 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.641 ppm2 8.193 CV 1 OR { 3429} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 17 and name HN )) ASSI { 3433} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 73 and name HN )) 6.000 4.500 0.000 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.927 ppm2 9.290 CV 1 OR { 3433} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 73 and name HN )) OR { 3433} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 3 and name HN )) ASSI { 3448} (( segid " " and resid 94 and name HG )) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 3448 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.783 ppm2 7.602 CV 1 OR { 3448} (( segid " " and resid 94 and name HG )) (( segid " " and resid 81 and name HN )) ASSI { 3459} (( segid " " and resid 128 and name HG )) (( segid " " and resid 131 and name HG11)) 6.000 4.500 0.000 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.274 ppm2 1.605 CV 1 OR { 3459} (( segid " " and resid 128 and name HG )) (( segid " " and resid 100 and name HG )) ASSI { 3460} (( segid " " and resid 128 and name HG )) (( segid " " and resid 128 and name HB2 )) 6.000 4.500 0.000 peak 3460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.272 ppm2 1.217 CV 1 OR { 3460} (( segid " " and resid 128 and name HG )) ( segid " " and resid 59 and name HB% ) ASSI { 3489} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 66 and name HB2 )) 6.000 4.500 0.000 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.954 ppm2 1.251 CV 1 OR { 3489} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 25 and name HB2 )) OR { 3489} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 66 and name HB2 )) ASSI { 3490} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 28 and name HG12)) 6.000 4.500 0.000 peak 3490 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.938 ppm2 2.055 CV 1 OR { 3490} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 98 and name HB )) OR { 3490} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 28 and name HG11)) OR { 3490} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 28 and name HG12)) ASSI { 3491} (( segid " " and resid 155 and name HG )) (( segid " " and resid 127 and name HD1 )) 6.000 4.500 0.000 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.910 ppm2 3.131 CV 1 OR { 3491} (( segid " " and resid 155 and name HG )) (( segid " " and resid 158 and name HB2 )) ASSI { 3514} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 96 and name HB1 )) 6.000 4.500 0.000 peak 3514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.684 ppm2 2.093 CV 1 OR { 3514} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 98 and name HB )) ASSI { 3533} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 158 and name HB2 )) 6.000 4.500 0.000 peak 3533 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.173 ppm2 3.136 CV 1 OR { 3533} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 55 and name HB1 )) ASSI { 3557} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 102 and name HA1 )) 6.000 4.500 0.000 peak 3557 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.851 ppm2 3.872 CV 1 OR { 3557} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 102 and name HA2 )) OR { 3557} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 111 and name HA )) ASSI { 3559} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 3559 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.853 ppm2 1.854 CV 1 OR { 3559} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 138 and name HB2 )) ASSI { 3602} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 72 and name HN )) 6.000 4.500 0.000 peak 3602 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.055 ppm2 7.702 CV 1 OR { 3602} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 71 and name HN )) ASSI { 3608} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 3608 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.754 ppm2 4.216 CV 1 OR { 3608} (( segid " " and resid 64 and name HG )) (( segid " " and resid 64 and name HA )) ASSI { 3610} (( segid " " and resid 64 and name HG )) (( segid " " and resid 31 and name HB2 )) 6.000 4.500 0.000 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 3.598 CV 1 OR { 3610} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 1 and name HA )) OR { 3610} (( segid " " and resid 64 and name HG )) (( segid " " and resid 31 and name HB1 )) ASSI { 3611} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 61 and name HG2 )) 6.000 4.500 0.000 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.755 ppm2 1.903 CV 1 OR { 3611} (( segid " " and resid 64 and name HG )) (( segid " " and resid 29 and name HB1 )) ASSI { 3612} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 2 and name HB )) 6.000 4.500 0.000 peak 3612 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 1.748 CV 1 OR { 3612} (( segid " " and resid 64 and name HG )) (( segid " " and resid 64 and name HB1 )) ASSI { 3615} (( segid " " and resid 64 and name HG )) (( segid " " and resid 65 and name HN )) 6.000 4.500 0.000 peak 3615 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.747 ppm2 8.372 CV 1 OR { 3615} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 102 and name HN )) ASSI { 3619} (( segid " " and resid 64 and name HG )) (( segid " " and resid 29 and name HB2 )) 6.000 4.500 0.000 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.747 ppm2 2.386 CV 1 OR { 3619} (( segid " " and resid 64 and name HG )) (( segid " " and resid 30 and name HB1 )) OR { 3619} (( segid " " and resid 64 and name HG )) (( segid " " and resid 68 and name HG1 )) ASSI { 3622} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.261 ppm2 7.570 CV 1 OR { 3622} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 151 and name HN )) ASSI { 3631} ( segid " " and resid 35 and name HG2%) (( segid " " and resid 36 and name HN )) 6.000 4.500 0.000 peak 3631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.243 ppm2 8.293 CV 1 OR { 3631} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 132 and name HN )) ASSI { 3635} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 58 and name HA )) 6.000 4.500 0.000 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.237 ppm2 4.905 CV 1 OR { 3635} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 5 and name HA )) ASSI { 3636} ( segid " " and resid 35 and name HG2%) (( segid " " and resid 131 and name HA )) 6.000 4.500 0.000 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.237 ppm2 4.480 CV 1 OR { 3636} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 131 and name HA )) ASSI { 3638} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 3638 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.243 ppm2 3.861 CV 1 OR { 3638} ( segid " " and resid 35 and name HG2%) (( segid " " and resid 33 and name HA )) OR { 3638} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 129 and name HA )) OR { 3638} ( segid " " and resid 35 and name HG2%) (( segid " " and resid 130 and name HA )) OR { 3638} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 130 and name HA )) ASSI { 3640} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 58 and name HB )) 6.000 4.500 0.000 peak 3640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.238 ppm2 1.931 CV 1 OR { 3640} ( segid " " and resid 35 and name HG2%) (( segid " " and resid 36 and name HB )) OR { 3640} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 127 and name HB2 )) OR { 3640} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 25 and name HG )) ASSI { 3642} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 58 and name HN )) 6.000 4.500 0.000 peak 3642 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.231 ppm2 9.167 CV 1 OR { 3642} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 34 and name HN )) OR { 3642} ( segid " " and resid 35 and name HG2%) (( segid " " and resid 34 and name HN )) ASSI { 3668} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 138 and name HG1 )) 6.000 4.500 0.000 peak 3668 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.147 ppm2 2.008 CV 1 OR { 3668} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 100 and name HB2 )) OR { 3668} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 114 and name HG2 )) OR { 3668} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 138 and name HG2 )) ASSI { 3679} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 141 and name HB1 )) 6.000 4.500 0.000 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.045 ppm2 1.731 CV 1 OR { 3679} ( segid " " and resid 136 and name HG1%) (( segid " " and resid 141 and name HB1 )) OR { 3679} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 135 and name HB2 )) ASSI { 3709} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 125 and name HB2 )) 6.000 4.500 0.000 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.564 ppm2 1.074 CV 1 OR { 3709} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 147 and name HB2 )) ASSI { 3715} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 3715 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.569 ppm2 1.804 CV 1 OR { 3715} ( segid " " and resid 147 and name HD2%) (( segid " " and resid 146 and name HB )) ASSI { 3726} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 59 and name HN )) 6.000 4.500 0.000 peak 3726 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.231 ppm2 8.595 CV 1 OR { 3726} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 4 and name HN )) ASSI { 3727} ( segid " " and resid 3 and name HB% ) ( segid " " and resid 69 and name HD2%) 6.000 4.500 0.000 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.214 ppm2 0.969 CV 1 OR { 3727} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 98 and name HG11)) OR { 3727} ( segid " " and resid 3 and name HB% ) ( segid " " and resid 69 and name HD1%) ASSI { 3738} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 138 and name HB1 )) 6.000 4.500 0.000 peak 3738 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.007 ppm2 2.394 CV 1 OR { 3738} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 138 and name HB1 )) OR { 3738} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 104 and name HB1 )) OR { 3738} ( segid " " and resid 105 and name HG1%) (( segid " " and resid 104 and name HB1 )) ASSI { 3746} (( segid " " and resid 1 and name HG21)) (( segid " " and resid 3 and name HN )) 6.000 4.500 0.000 peak 3746 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.511 ppm2 9.245 CV 1 OR { 3746} (( segid " " and resid 1 and name HG21)) (( segid " " and resid 103 and name HN )) ASSI { 3760} ( segid " " and resid 6 and name HB% ) (( segid " " and resid 99 and name HB2 )) 6.000 4.500 0.000 peak 3760 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.749 ppm2 2.318 CV 1 OR { 3760} ( segid " " and resid 6 and name HB% ) (( segid " " and resid 97 and name HB2 )) OR { 3760} ( segid " " and resid 6 and name HB% ) (( segid " " and resid 99 and name HB1 )) ASSI { 3770} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 116 and name HA )) 6.000 4.500 0.000 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.432 ppm2 4.174 CV 1 OR { 3770} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 114 and name HD1 )) ASSI { 3797} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 33 and name HB )) 6.000 4.500 0.000 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.324 ppm2 1.795 CV 1 OR { 3797} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 60 and name HB1 )) ASSI { 3798} ( segid " " and resid 36 and name HG2%) ( segid " " and resid 33 and name HD1%) 6.000 4.500 0.000 peak 3798 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.329 ppm2 0.854 CV 1 OR { 3798} ( segid " " and resid 36 and name HG2%) ( segid " " and resid 22 and name HD1%) ASSI { 3802} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 20 and name HN )) 6.000 4.500 0.000 peak 3802 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.295 ppm2 8.186 CV 1 OR { 3802} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 17 and name HN )) ASSI { 3808} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 15 and name HB1 )) 6.000 4.500 0.000 peak 3808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.297 ppm2 1.456 CV 1 OR { 3808} ( segid " " and resid 18 and name HG1%) ( segid " " and resid 56 and name HB% ) OR { 3808} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 22 and name HB1 )) OR { 3808} ( segid " " and resid 18 and name HG1%) ( segid " " and resid 21 and name HB% ) ASSI { 3813} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 22 and name HG )) 6.000 4.500 0.000 peak 3813 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.294 ppm2 1.842 CV 1 OR { 3813} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 14 and name HB1 )) ASSI { 3816} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 4 and name HN )) 6.000 4.500 0.000 peak 3816 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.126 ppm2 8.591 CV 1 OR { 3816} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 59 and name HN )) ASSI { 3825} ( segid " " and resid 2 and name HG1%) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 3825 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.124 ppm2 1.230 CV 1 OR { 3825} ( segid " " and resid 2 and name HG1%) ( segid " " and resid 3 and name HB% ) ASSI { 3827} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 57 and name HN )) 6.000 4.500 0.000 peak 3827 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.331 ppm2 9.465 CV 1 OR { 3827} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 38 and name HN )) ASSI { 3856} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 26 and name HN )) 6.000 4.500 0.000 peak 3856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.521 ppm2 7.608 CV 1 OR { 3856} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 78 and name HN )) ASSI { 3857} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 75 and name HB1 )) 6.000 4.500 0.000 peak 3857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.522 ppm2 2.309 CV 1 OR { 3857} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 80 and name HB2 )) OR { 3857} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 80 and name HB1 )) ASSI { 3862} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3862 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.516 ppm2 7.744 CV 1 OR { 3862} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 72 and name HN )) ASSI { 3875} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 132 and name HN )) 6.000 4.500 0.000 peak 3875 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.991 ppm2 8.308 CV 1 OR { 3875} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 134 and name HN )) ASSI { 3879} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 135 and name HA )) 6.000 4.500 0.000 peak 3879 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.994 ppm2 3.820 CV 1 OR { 3879} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 128 and name HA )) ASSI { 3881} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 131 and name HB )) 6.000 4.500 0.000 peak 3881 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.996 ppm2 2.111 CV 1 OR { 3881} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 134 and name HG1 )) ASSI { 3882} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 3882 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.992 ppm2 1.716 CV 1 OR { 3882} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 134 and name HB1 )) ASSI { 3891} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 2 and name HA )) 6.000 4.500 0.000 peak 3891 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.086 ppm2 4.215 CV 1 OR { 3891} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 64 and name HA )) ASSI { 3892} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 66 and name HG2 )) 6.000 4.500 0.000 peak 3892 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.087 ppm2 1.754 CV 1 OR { 3892} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 64 and name HB1 )) OR { 3892} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 2 and name HB )) ASSI { 3897} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 21 and name HN )) 6.000 4.500 0.000 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.439 ppm2 8.576 CV 1 OR { 3897} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 22 and name HN )) ASSI { 3899} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 94 and name HG )) 6.000 4.500 0.000 peak 3899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.439 ppm2 0.797 CV 1 OR { 3899} ( segid " " and resid 21 and name HB% ) ( segid " " and resid 25 and name HD1%) ASSI { 3916} ( segid " " and resid 86 and name HB% ) (( segid " " and resid 86 and name HN )) 6.000 4.500 0.000 peak 3916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.410 ppm2 8.469 CV 1 OR { 3916} ( segid " " and resid 86 and name HB% ) (( segid " " and resid 87 and name HN )) ASSI { 3941} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 17 and name HE22)) 6.000 4.500 0.000 peak 3941 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.526 ppm2 7.756 CV 1 OR { 3941} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 23 and name HN )) ASSI { 3982} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 23 and name HN )) 6.000 4.500 0.000 peak 3982 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.858 ppm2 7.762 CV 1 OR { 3982} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 17 and name HE22)) ASSI { 3986} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 78 and name HN )) 6.000 4.500 0.000 peak 3986 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.854 ppm2 7.607 CV 1 OR { 3986} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 81 and name HN )) ASSI { 3989} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 146 and name HN )) 6.000 4.500 0.000 peak 3989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.742 ppm2 7.866 CV 1 OR { 3989} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 150 and name HN )) ASSI { 3990} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 148 and name HN )) 6.000 4.500 0.000 peak 3990 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.743 ppm2 7.569 CV 1 OR { 3990} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 26 and name HN )) OR { 3990} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 145 and name HE21)) OR { 3990} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 151 and name HN )) ASSI { 3992} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 143 and name HA )) 6.000 4.500 0.000 peak 3992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.745 ppm2 4.073 CV 1 OR { 3992} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 122 and name HA2 )) OR { 3992} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 151 and name HA )) ASSI { 3995} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 141 and name HG2 )) 6.000 4.500 0.000 peak 3995 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.744 ppm2 2.086 CV 1 OR { 3995} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 28 and name HG11)) OR { 3995} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 28 and name HG12)) ASSI { 4028} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HN )) 6.000 4.500 0.000 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.756 ppm2 9.157 CV 1 OR { 4028} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HN )) ASSI { 4030} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 36 and name HN )) 6.000 4.500 0.000 peak 4030 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 8.293 CV 1 OR { 4030} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 149 and name HN )) ASSI { 4032} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 4032 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 3.860 CV 1 OR { 4032} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 26 and name HA2 )) ASSI { 4033} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 36 and name HB )) 6.000 4.500 0.000 peak 4033 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.758 ppm2 1.943 CV 1 OR { 4033} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 58 and name HB )) OR { 4033} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 25 and name HG )) ASSI { 4034} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 32 and name HD2 )) 6.000 4.500 0.000 peak 4034 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.744 ppm2 6.985 CV 1 OR { 4034} ( segid " " and resid 33 and name HG2%) ( segid " " and resid 39 and name HD% ) OR { 4034} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 148 and name HD2 )) ASSI { 4047} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 97 and name HN )) 6.000 4.500 0.000 peak 4047 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.826 ppm2 8.833 CV 1 OR { 4047} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 7 and name HN )) ASSI { 4070} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 31 and name HN )) 6.000 4.500 0.000 peak 4070 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.795 ppm2 7.286 CV 1 OR { 4070} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 27 and name HN )) ASSI { 4073} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 66 and name HD1 )) 6.000 4.500 0.000 peak 4073 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.794 ppm2 3.422 CV 1 OR { 4073} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 72 and name HB2 )) ASSI { 4075} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 29 and name HD1 )) 6.000 4.500 0.000 peak 4075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.796 ppm2 2.748 CV 1 OR { 4075} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 4 and name HB2 )) ASSI { 4076} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 141 and name HA )) 6.000 4.500 0.000 peak 4076 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.490 ppm2 4.283 CV 1 OR { 4076} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 137 and name HA )) ASSI { 4080} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 141 and name HG1 )) 6.000 4.500 0.000 peak 4080 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.478 ppm2 2.264 CV 1 OR { 4080} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 145 and name HB1 )) OR { 4080} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 142 and name HB2 )) ASSI { 4088} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 141 and name HA )) 6.000 4.500 0.000 peak 4088 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.475 ppm2 4.272 CV 1 OR { 4088} ( segid " " and resid 146 and name HD1%) (( segid " " and resid 145 and name HA )) ASSI { 4115} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 32 and name HN )) 6.000 4.500 0.000 peak 4115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.795 ppm2 8.984 CV 1 OR { 4115} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 25 and name HN )) ASSI { 4117} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 25 and name HA )) 6.000 4.500 0.000 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.796 ppm2 3.865 CV 1 OR { 4117} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 111 and name HA )) ASSI { 4118} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HG12)) 6.000 4.500 0.000 peak 4118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.797 ppm2 2.080 CV 1 OR { 4118} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 98 and name HB )) OR { 4118} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HG11)) ASSI { 4119} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 56 and name HN )) 6.000 4.500 0.000 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.665 ppm2 9.193 CV 1 OR { 4119} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 95 and name HN )) ASSI { 4135} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 22 and name HA )) 6.000 4.500 0.000 peak 4135 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.670 ppm2 3.943 CV 1 OR { 4135} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 21 and name HA )) ASSI { 4148} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 113 and name HB )) 6.000 4.500 0.000 peak 4148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.617 ppm2 1.854 CV 1 OR { 4148} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 98 and name HG12)) ASSI { 4154} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 34 and name HN )) 6.000 4.500 0.000 peak 4154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.867 ppm2 9.154 CV 1 OR { 4154} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 4158} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HA )) 6.000 4.500 0.000 peak 4158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.865 ppm2 3.899 CV 1 OR { 4158} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 26 and name HA2 )) ASSI { 4160} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 58 and name HB )) 6.000 4.500 0.000 peak 4160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.866 ppm2 1.951 CV 1 OR { 4160} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 36 and name HB )) OR { 4160} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 25 and name HG )) ASSI { 4161} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 59 and name HB% ) 6.000 4.500 0.000 peak 4161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.867 ppm2 1.234 CV 1 OR { 4161} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 35 and name HG2%) OR { 4161} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 25 and name HB2 ))
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