NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
563352 | 2lwp | 18416 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 12} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HD3 )) 2.000 2.000 4.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.81661E-01 ppm1 8.514 ppm2 1.651 CV 1 OR { 12} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HD2 )) ASSI { 14} (( segid " " and resid 92 and name HN )) (( segid " " and resid 63 and name HN )) 1.600 1.600 4.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.61142E-01 ppm1 9.077 ppm2 7.990 CV 1 ASSI { 27} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 1.800 1.800 4.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.28435E-01 ppm1 8.696 ppm2 4.532 CV 1 ASSI { 31} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HG13)) 1.700 1.700 4.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.25294E-01 ppm1 9.080 ppm2 1.418 CV 1 ASSI { 43} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HG12)) 2.500 0.800 0.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.15662E-01 ppm1 9.064 ppm2 1.119 CV 1 ASSI { 70} (( segid " " and resid 19 and name HN )) (( segid " " and resid 85 and name HA )) 2.100 2.100 3.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.11139E-01 ppm1 8.815 ppm2 4.748 CV 1 ASSI { 80} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HN )) 2.500 2.500 3.500 peak 80 spectrum 1 weight 0.10000E+01 volume 0.90875E-02 ppm1 9.221 ppm2 8.922 CV 1 ASSI { 84} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB3 )) 1.800 0.400 0.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.85431E-02 ppm1 8.703 ppm2 1.802 CV 1 ASSI { 86} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.200 2.200 3.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.77472E-02 ppm1 8.682 ppm2 5.200 CV 1 ASSI { 88} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.100 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.76217E-02 ppm1 7.819 ppm2 4.758 CV 1 ASSI { 90} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.300 0.600 0.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.71192E-02 ppm1 8.140 ppm2 4.346 CV 1 ASSI { 93} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 2.200 0.600 0.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.63237E-02 ppm1 8.695 ppm2 5.120 CV 1 ASSI { 95} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB3 )) 2.200 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.59887E-02 ppm1 7.443 ppm2 1.995 CV 1 OR { 95} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) ASSI { 98} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.200 0.600 0.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.57372E-02 ppm1 8.684 ppm2 5.291 CV 1 ASSI { 100} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 2.200 0.600 0.600 peak 100 spectrum 1 weight 0.10000E+01 volume 0.56533E-02 ppm1 8.372 ppm2 3.951 CV 1 ASSI { 101} (( segid " " and resid 41 and name HN )) (( segid " " and resid 81 and name HB3 )) 3.000 3.000 3.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.56533E-02 ppm1 7.511 ppm2 1.704 CV 1 ASSI { 103} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 2.400 0.700 0.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.56117E-02 ppm1 7.808 ppm2 4.338 CV 1 ASSI { 104} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.200 0.600 0.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.54858E-02 ppm1 8.686 ppm2 1.046 CV 1 ASSI { 105} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 2.300 0.600 0.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.54442E-02 ppm1 7.453 ppm2 3.782 CV 1 ASSI { 106} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 2.300 0.700 0.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.53603E-02 ppm1 8.711 ppm2 4.796 CV 1 ASSI { 108} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 2.300 0.700 0.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.51092E-02 ppm1 8.681 ppm2 5.241 CV 1 ASSI { 109} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 2.800 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.50253E-02 ppm1 8.073 ppm2 4.208 CV 1 ASSI { 110} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HA )) 2.400 2.400 3.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.49833E-02 ppm1 8.901 ppm2 3.817 CV 1 ASSI { 112} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 2.100 2.100 3.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.49417E-02 ppm1 8.711 ppm2 5.011 CV 1 ASSI { 113} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.300 0.700 0.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.49417E-02 ppm1 8.691 ppm2 4.358 CV 1 ASSI { 115} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.500 0.800 0.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.48578E-02 ppm1 8.519 ppm2 4.470 CV 1 ASSI { 116} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.48578E-02 ppm1 8.190 ppm2 4.138 CV 1 ASSI { 117} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.200 0.600 0.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.48578E-02 ppm1 8.284 ppm2 4.598 CV 1 ASSI { 121} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG3 )) 3.400 1.400 1.400 peak 121 spectrum 1 weight 0.10000E+01 volume 0.44808E-02 ppm1 8.203 ppm2 2.156 CV 1 OR { 121} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG2 )) ASSI { 122} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 2.400 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.44388E-02 ppm1 8.521 ppm2 4.544 CV 1 ASSI { 123} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HA )) 2.300 0.700 0.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.43973E-02 ppm1 9.149 ppm2 5.433 CV 1 ASSI { 124} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA2 )) 2.400 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.43973E-02 ppm1 8.276 ppm2 4.083 CV 1 ASSI { 128} (( segid " " and resid 48 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.000 1.100 1.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.43133E-02 ppm1 8.901 ppm2 1.250 CV 1 ASSI { 129} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA )) 2.400 0.700 0.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.42713E-02 ppm1 8.471 ppm2 4.508 CV 1 ASSI { 130} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA )) 2.100 0.500 0.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.42713E-02 ppm1 8.853 ppm2 4.991 CV 1 ASSI { 131} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 2.300 0.600 0.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.41670E-02 ppm1 8.813 ppm2 4.523 CV 1 ASSI { 132} (( segid " " and resid 65 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.400 1.500 1.500 peak 132 spectrum 1 weight 0.10000E+01 volume 0.41039E-02 ppm1 9.215 ppm2 0.769 CV 1 ASSI { 134} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.600 0.900 0.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.39910E-02 ppm1 8.988 ppm2 3.779 CV 1 OR { 134} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB3 )) ASSI { 136} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 2.200 0.600 0.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.39618E-02 ppm1 8.804 ppm2 4.694 CV 1 ASSI { 137} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HG3 )) 2.800 1.000 1.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.39406E-02 ppm1 8.277 ppm2 1.689 CV 1 OR { 137} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB3 )) ASSI { 138} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 2.200 0.600 0.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.39113E-02 ppm1 9.213 ppm2 5.090 CV 1 ASSI { 142} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 2.400 0.700 0.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.38192E-02 ppm1 7.170 ppm2 2.614 CV 1 ASSI { 146} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 2.700 0.900 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.37606E-02 ppm1 8.474 ppm2 4.435 CV 1 ASSI { 147} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.400 0.700 0.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.37480E-02 ppm1 9.203 ppm2 4.804 CV 1 ASSI { 148} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB3 )) 2.600 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.37271E-02 ppm1 8.512 ppm2 1.527 CV 1 OR { 148} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 149} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.500 0.800 0.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.37145E-02 ppm1 8.301 ppm2 4.327 CV 1 ASSI { 150} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB3 )) 3.000 1.100 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.36852E-02 ppm1 7.377 ppm2 1.777 CV 1 ASSI { 151} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.500 0.800 0.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.36308E-02 ppm1 8.691 ppm2 4.867 CV 1 ASSI { 152} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB3 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.36224E-02 ppm1 8.742 ppm2 2.022 CV 1 ASSI { 155} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 2.500 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.34800E-02 ppm1 8.276 ppm2 4.605 CV 1 ASSI { 156} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.100 3.100 2.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.34675E-02 ppm1 7.092 ppm2 1.425 CV 1 ASSI { 157} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.600 0.900 0.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.34004E-02 ppm1 8.141 ppm2 1.442 CV 1 OR { 157} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB3 )) ASSI { 158} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.33628E-02 ppm1 8.312 ppm2 4.755 CV 1 ASSI { 159} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 2.500 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.33586E-02 ppm1 8.512 ppm2 4.284 CV 1 ASSI { 161} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB )) 2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.32874E-02 ppm1 8.729 ppm2 2.186 CV 1 ASSI { 162} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HA1 )) 2.600 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.32832E-02 ppm1 7.829 ppm2 3.488 CV 1 ASSI { 165} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 2.600 0.800 0.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.32455E-02 ppm1 7.310 ppm2 3.829 CV 1 ASSI { 167} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB3 )) 2.300 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.32288E-02 ppm1 8.711 ppm2 1.744 CV 1 ASSI { 170} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.500 0.800 0.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.31827E-02 ppm1 8.600 ppm2 4.401 CV 1 ASSI { 171} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG )) 2.900 1.100 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.31576E-02 ppm1 8.215 ppm2 1.193 CV 1 ASSI { 172} (( segid " " and resid 87 and name HN )) (( segid " " and resid 3 and name HD3 )) 2.700 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.31534E-02 ppm1 7.810 ppm2 1.570 CV 1 OR { 172} (( segid " " and resid 87 and name HN )) (( segid " " and resid 3 and name HD2 )) ASSI { 173} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA1 )) 2.500 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.31366E-02 ppm1 7.739 ppm2 3.658 CV 1 ASSI { 179} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 2.500 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.30738E-02 ppm1 7.759 ppm2 1.758 CV 1 ASSI { 180} (( segid " " and resid 54 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.100 3.100 2.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.30529E-02 ppm1 7.952 ppm2 1.064 CV 1 ASSI { 182} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 2.500 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.30361E-02 ppm1 9.178 ppm2 4.700 CV 1 ASSI { 183} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB3 )) 2.400 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.30278E-02 ppm1 8.235 ppm2 2.122 CV 1 ASSI { 184} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB3 )) 2.700 0.900 0.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.30278E-02 ppm1 8.599 ppm2 2.610 CV 1 OR { 184} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB2 )) ASSI { 187} (( segid " " and resid 33 and name HN )) (( segid " " and resid 50 and name HG )) 3.200 3.200 2.800 peak 187 spectrum 1 weight 0.10000E+01 volume 0.29147E-02 ppm1 9.152 ppm2 0.966 CV 1 ASSI { 188} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB3 )) 2.300 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.29021E-02 ppm1 7.171 ppm2 2.680 CV 1 ASSI { 189} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.800 1.000 1.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.29021E-02 ppm1 8.520 ppm2 2.409 CV 1 OR { 189} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB3 )) ASSI { 190} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.300 0.700 0.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.28812E-02 ppm1 9.048 ppm2 3.433 CV 1 ASSI { 191} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.28686E-02 ppm1 7.911 ppm2 2.030 CV 1 ASSI { 192} (( segid " " and resid 7 and name HN )) (( segid " " and resid 84 and name HA )) 3.200 1.300 1.300 peak 192 spectrum 1 weight 0.10000E+01 volume 0.28644E-02 ppm1 8.204 ppm2 4.384 CV 1 ASSI { 195} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB3 )) 2.900 1.000 1.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.27765E-02 ppm1 8.184 ppm2 2.823 CV 1 OR { 195} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) ASSI { 196} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB3 )) 2.500 0.800 0.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.27681E-02 ppm1 8.362 ppm2 2.142 CV 1 ASSI { 197} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.400 0.700 0.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.27639E-02 ppm1 8.650 ppm2 4.429 CV 1 ASSI { 200} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 2.500 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.26760E-02 ppm1 8.692 ppm2 0.886 CV 1 ASSI { 205} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB3 )) 2.600 0.900 0.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.26215E-02 ppm1 8.718 ppm2 1.964 CV 1 OR { 205} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB2 )) ASSI { 207} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) 2.400 0.700 0.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.26006E-02 ppm1 7.059 ppm2 1.563 CV 1 ASSI { 211} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.600 0.900 0.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.25252E-02 ppm1 8.901 ppm2 3.931 CV 1 ASSI { 217} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.300 1.300 1.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.24415E-02 ppm1 8.210 ppm2 1.733 CV 1 ASSI { 218} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 2.800 1.000 1.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.24415E-02 ppm1 8.478 ppm2 4.801 CV 1 ASSI { 219} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB3 )) 2.600 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.24289E-02 ppm1 6.942 ppm2 2.125 CV 1 ASSI { 223} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.700 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.23661E-02 ppm1 9.385 ppm2 3.699 CV 1 ASSI { 224} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.23409E-02 ppm1 7.784 ppm2 7.122 CV 1 ASSI { 225} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.700 0.900 0.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.23409E-02 ppm1 7.902 ppm2 3.971 CV 1 ASSI { 226} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 2.800 1.000 1.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.23326E-02 ppm1 8.522 ppm2 3.644 CV 1 OR { 226} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB3 )) ASSI { 230} (( segid " " and resid 43 and name HN )) (( segid " " and resid 81 and name HG )) 2.700 0.900 0.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.23033E-02 ppm1 9.753 ppm2 0.678 CV 1 ASSI { 231} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA1 )) 2.700 0.900 0.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.22991E-02 ppm1 8.498 ppm2 3.550 CV 1 ASSI { 234} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 3.400 1.400 1.400 peak 234 spectrum 1 weight 0.10000E+01 volume 0.22237E-02 ppm1 8.235 ppm2 1.752 CV 1 OR { 234} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG3 )) OR { 234} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG2 )) ASSI { 235} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 2.500 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.22195E-02 ppm1 7.171 ppm2 6.948 CV 1 ASSI { 236} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 3.100 1.200 1.200 peak 236 spectrum 1 weight 0.10000E+01 volume 0.22153E-02 ppm1 8.101 ppm2 4.318 CV 1 ASSI { 238} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 2.400 0.700 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.21399E-02 ppm1 7.911 ppm2 5.000 CV 1 ASSI { 242} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA1 )) 2.700 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.20771E-02 ppm1 7.582 ppm2 3.708 CV 1 ASSI { 243} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 2.700 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.20730E-02 ppm1 9.385 ppm2 5.172 CV 1 ASSI { 245} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 3.600 1.600 1.600 peak 245 spectrum 1 weight 0.10000E+01 volume 0.20353E-02 ppm1 6.927 ppm2 1.228 CV 1 ASSI { 246} (( segid " " and resid 34 and name HN )) (( segid " " and resid 50 and name HG )) 3.000 3.000 3.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.20353E-02 ppm1 7.453 ppm2 0.982 CV 1 ASSI { 249} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.200 1.300 1.300 peak 249 spectrum 1 weight 0.10000E+01 volume 0.20143E-02 ppm1 7.123 ppm2 1.466 CV 1 ASSI { 251} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB3 )) 3.000 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.20060E-02 ppm1 8.796 ppm2 1.360 CV 1 ASSI { 252} (( segid " " and resid 34 and name HN )) (( segid " " and resid 81 and name HG )) 3.800 3.800 2.200 peak 252 spectrum 1 weight 0.10000E+01 volume 0.20018E-02 ppm1 7.452 ppm2 0.647 CV 1 ASSI { 253} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB3 )) 3.200 1.300 1.300 peak 253 spectrum 1 weight 0.10000E+01 volume 0.19934E-02 ppm1 7.061 ppm2 1.748 CV 1 ASSI { 257} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA2 )) 3.200 1.300 1.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.19557E-02 ppm1 8.499 ppm2 4.038 CV 1 ASSI { 258} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB3 )) 2.900 1.100 1.100 peak 258 spectrum 1 weight 0.10000E+01 volume 0.19515E-02 ppm1 7.952 ppm2 1.992 CV 1 OR { 258} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) ASSI { 260} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB )) 2.700 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.19473E-02 ppm1 9.178 ppm2 1.824 CV 1 ASSI { 261} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.500 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.19389E-02 ppm1 8.311 ppm2 1.112 CV 1 ASSI { 263} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 3.000 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.19348E-02 ppm1 8.428 ppm2 4.557 CV 1 ASSI { 264} (( segid " " and resid 44 and name HN )) (( segid " " and resid 81 and name HG )) 2.800 2.800 3.200 peak 264 spectrum 1 weight 0.10000E+01 volume 0.19096E-02 ppm1 7.912 ppm2 0.684 CV 1 ASSI { 265} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA1 )) 2.300 0.700 0.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.19013E-02 ppm1 9.314 ppm2 3.472 CV 1 ASSI { 266} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.900 1.100 1.100 peak 266 spectrum 1 weight 0.10000E+01 volume 0.18971E-02 ppm1 8.740 ppm2 1.858 CV 1 ASSI { 267} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB )) 2.600 0.800 0.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.18971E-02 ppm1 9.161 ppm2 1.888 CV 1 ASSI { 268} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG12)) 3.800 1.800 1.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.18929E-02 ppm1 9.181 ppm2 1.016 CV 1 ASSI { 274} (( segid " " and resid 89 and name HN )) (( segid " " and resid 21 and name HN )) 3.300 1.300 1.300 peak 274 spectrum 1 weight 0.10000E+01 volume 0.18468E-02 ppm1 9.151 ppm2 8.797 CV 1 ASSI { 275} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 3.000 1.100 1.100 peak 275 spectrum 1 weight 0.10000E+01 volume 0.18426E-02 ppm1 8.648 ppm2 1.641 CV 1 ASSI { 276} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.500 2.500 3.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.18342E-02 ppm1 7.784 ppm2 2.561 CV 1 ASSI { 278} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.300 1.300 1.300 peak 278 spectrum 1 weight 0.10000E+01 volume 0.18217E-02 ppm1 6.941 ppm2 1.119 CV 1 ASSI { 280} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB2 )) 2.800 1.000 1.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.17966E-02 ppm1 8.989 ppm2 1.387 CV 1 ASSI { 281} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HN )) 2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.17924E-02 ppm1 7.581 ppm2 6.925 CV 1 ASSI { 282} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.900 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.17924E-02 ppm1 7.091 ppm2 1.720 CV 1 ASSI { 283} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.17714E-02 ppm1 8.740 ppm2 8.482 CV 1 ASSI { 284} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.100 1.200 1.200 peak 284 spectrum 1 weight 0.10000E+01 volume 0.17714E-02 ppm1 7.973 ppm2 1.259 CV 1 ASSI { 285} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.17672E-02 ppm1 9.161 ppm2 4.675 CV 1 ASSI { 292} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) 2.500 0.800 0.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.17044E-02 ppm1 8.741 ppm2 7.149 CV 1 ASSI { 293} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HN )) 2.700 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.16960E-02 ppm1 8.901 ppm2 6.945 CV 1 ASSI { 295} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB )) 2.900 1.000 1.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.16919E-02 ppm1 8.073 ppm2 3.976 CV 1 ASSI { 297} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HN )) 2.900 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.16877E-02 ppm1 7.581 ppm2 7.072 CV 1 ASSI { 298} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 2.900 1.000 1.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.16835E-02 ppm1 7.740 ppm2 7.581 CV 1 ASSI { 299} (( segid " " and resid 41 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.400 1.500 1.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.16709E-02 ppm1 7.512 ppm2 1.920 CV 1 ASSI { 300} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HB2 )) 2.300 2.300 3.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.16667E-02 ppm1 8.598 ppm2 0.848 CV 1 ASSI { 301} (( segid " " and resid 18 and name HN )) (( segid " " and resid 33 and name HN )) 3.100 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 8.314 ppm2 9.179 CV 1 ASSI { 302} (( segid " " and resid 10 and name HN )) (( segid " " and resid 18 and name HA )) 2.900 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.16584E-02 ppm1 8.095 ppm2 4.647 CV 1 ASSI { 306} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HN )) 2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.16458E-02 ppm1 8.729 ppm2 7.384 CV 1 ASSI { 307} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.800 1.000 1.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.16374E-02 ppm1 8.820 ppm2 4.705 CV 1 ASSI { 310} (( segid " " and resid 51 and name HN )) (( segid " " and resid 91 and name HG )) 4.000 2.000 2.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.16249E-02 ppm1 8.730 ppm2 0.553 CV 1 ASSI { 313} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.200 1.300 1.300 peak 313 spectrum 1 weight 0.10000E+01 volume 0.16207E-02 ppm1 8.276 ppm2 1.686 CV 1 ASSI { 316} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.600 1.600 1.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.16081E-02 ppm1 8.284 ppm2 1.093 CV 1 ASSI { 317} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 2.900 1.000 1.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.16039E-02 ppm1 8.497 ppm2 8.193 CV 1 ASSI { 318} (( segid " " and resid 78 and name HN )) (( segid " " and resid 43 and name HA )) 4.300 2.300 1.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.15997E-02 ppm1 8.215 ppm2 4.995 CV 1 ASSI { 319} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG3 )) 3.100 1.200 1.200 peak 319 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 7.443 ppm2 1.771 CV 1 OR { 319} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG2 )) OR { 319} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) ASSI { 320} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.200 1.300 1.300 peak 320 spectrum 1 weight 0.10000E+01 volume 0.15913E-02 ppm1 7.807 ppm2 1.415 CV 1 OR { 320} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG3 )) OR { 320} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) ASSI { 322} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HN )) 3.000 1.100 1.100 peak 322 spectrum 1 weight 0.10000E+01 volume 0.15578E-02 ppm1 7.758 ppm2 8.946 CV 1 ASSI { 326} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG2 )) 2.500 0.800 0.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.15537E-02 ppm1 6.926 ppm2 1.581 CV 1 ASSI { 327} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.15495E-02 ppm1 8.315 ppm2 4.686 CV 1 ASSI { 335} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG2 )) 3.100 1.200 1.200 peak 335 spectrum 1 weight 0.10000E+01 volume 0.15202E-02 ppm1 8.649 ppm2 2.361 CV 1 OR { 335} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG3 )) ASSI { 336} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG3 )) 3.200 1.300 1.300 peak 336 spectrum 1 weight 0.10000E+01 volume 0.15160E-02 ppm1 8.058 ppm2 0.567 CV 1 ASSI { 337} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HN )) 2.900 1.000 1.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.15160E-02 ppm1 7.442 ppm2 7.946 CV 1 ASSI { 338} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB2 )) 3.200 1.300 1.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.15034E-02 ppm1 8.276 ppm2 3.233 CV 1 ASSI { 339} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HN )) 2.700 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.14866E-02 ppm1 7.828 ppm2 9.323 CV 1 ASSI { 342} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 2.800 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.14741E-02 ppm1 7.829 ppm2 4.595 CV 1 ASSI { 344} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.900 1.900 1.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.14657E-02 ppm1 8.141 ppm2 1.758 CV 1 ASSI { 346} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB )) 3.600 1.600 1.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.14573E-02 ppm1 8.604 ppm2 1.773 CV 1 ASSI { 348} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 3.000 1.100 1.100 peak 348 spectrum 1 weight 0.10000E+01 volume 0.14406E-02 ppm1 8.058 ppm2 3.437 CV 1 ASSI { 349} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB2 )) 3.000 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.14364E-02 ppm1 8.362 ppm2 2.007 CV 1 ASSI { 350} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) 2.800 1.000 1.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.14364E-02 ppm1 9.048 ppm2 0.101 CV 1 ASSI { 351} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.14280E-02 ppm1 9.753 ppm2 4.635 CV 1 ASSI { 352} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.14238E-02 ppm1 9.094 ppm2 1.567 CV 1 ASSI { 353} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG3 )) 3.100 1.200 1.200 peak 353 spectrum 1 weight 0.10000E+01 volume 0.14238E-02 ppm1 8.140 ppm2 2.154 CV 1 OR { 353} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG2 )) ASSI { 354} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HG3 )) 3.700 1.700 1.700 peak 354 spectrum 1 weight 0.10000E+01 volume 0.14196E-02 ppm1 8.498 ppm2 2.224 CV 1 OR { 354} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HG2 )) ASSI { 355} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 2.900 1.000 1.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.14155E-02 ppm1 8.236 ppm2 7.437 CV 1 ASSI { 356} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.000 1.100 1.100 peak 356 spectrum 1 weight 0.10000E+01 volume 0.14155E-02 ppm1 9.071 ppm2 0.846 CV 1 ASSI { 361} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 2.800 1.000 1.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.13861E-02 ppm1 8.214 ppm2 4.676 CV 1 ASSI { 366} (( segid " " and resid 23 and name HN )) (( segid " " and resid 90 and name HA )) 2.700 0.900 0.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 8.684 ppm2 4.994 CV 1 ASSI { 367} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB3 )) 2.400 2.400 3.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 7.512 ppm2 2.817 CV 1 OR { 367} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB2 )) ASSI { 369} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB3 )) 3.100 1.200 1.200 peak 369 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 8.478 ppm2 2.817 CV 1 OR { 369} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) ASSI { 370} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB2 )) 2.700 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.13359E-02 ppm1 7.377 ppm2 1.482 CV 1 ASSI { 372} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB3 )) 3.400 1.400 1.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.13233E-02 ppm1 8.311 ppm2 1.547 CV 1 ASSI { 373} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 3.000 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.13066E-02 ppm1 8.988 ppm2 4.003 CV 1 ASSI { 374} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HG3 )) 2.900 1.100 1.100 peak 374 spectrum 1 weight 0.10000E+01 volume 0.13066E-02 ppm1 7.759 ppm2 0.566 CV 1 ASSI { 376} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HN )) 2.900 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.13024E-02 ppm1 8.730 ppm2 8.246 CV 1 ASSI { 378} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HB3 )) 3.100 1.200 1.200 peak 378 spectrum 1 weight 0.10000E+01 volume 0.12982E-02 ppm1 9.754 ppm2 2.676 CV 1 ASSI { 379} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.600 1.600 1.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.12940E-02 ppm1 8.712 ppm2 1.287 CV 1 ASSI { 382} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 3.300 1.400 1.400 peak 382 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 7.512 ppm2 4.235 CV 1 ASSI { 384} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) 3.100 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 8.989 ppm2 7.096 CV 1 ASSI { 385} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HG2 )) 3.000 1.100 1.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 7.757 ppm2 1.337 CV 1 OR { 385} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HG3 )) ASSI { 386} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HN )) 3.000 1.100 1.100 peak 386 spectrum 1 weight 0.10000E+01 volume 0.12521E-02 ppm1 7.511 ppm2 8.488 CV 1 ASSI { 388} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 3.000 1.200 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.12437E-02 ppm1 9.093 ppm2 3.802 CV 1 ASSI { 392} (( segid " " and resid 19 and name HN )) (( segid " " and resid 85 and name HB2 )) 2.700 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.12312E-02 ppm1 8.804 ppm2 2.609 CV 1 OR { 392} (( segid " " and resid 19 and name HN )) (( segid " " and resid 85 and name HB3 )) ASSI { 393} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB3 )) 3.800 1.800 1.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.12270E-02 ppm1 8.471 ppm2 1.949 CV 1 ASSI { 395} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HN )) 3.000 1.100 1.100 peak 395 spectrum 1 weight 0.10000E+01 volume 0.12144E-02 ppm1 8.362 ppm2 7.378 CV 1 ASSI { 396} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB3 )) 2.800 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.12061E-02 ppm1 8.682 ppm2 3.245 CV 1 ASSI { 399} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HB3 )) 3.600 1.600 1.600 peak 399 spectrum 1 weight 0.10000E+01 volume 0.11726E-02 ppm1 7.784 ppm2 1.934 CV 1 ASSI { 400} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 3.100 1.200 1.200 peak 400 spectrum 1 weight 0.10000E+01 volume 0.11726E-02 ppm1 7.761 ppm2 4.541 CV 1 ASSI { 401} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 401 spectrum 1 weight 0.10000E+01 volume 0.11684E-02 ppm1 8.512 ppm2 3.697 CV 1 ASSI { 402} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB3 )) 4.000 2.000 2.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.11642E-02 ppm1 7.785 ppm2 3.462 CV 1 ASSI { 403} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 3.000 1.200 1.200 peak 403 spectrum 1 weight 0.10000E+01 volume 0.11600E-02 ppm1 8.474 ppm2 3.983 CV 1 ASSI { 404} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 3.200 1.300 1.300 peak 404 spectrum 1 weight 0.10000E+01 volume 0.11600E-02 ppm1 8.236 ppm2 3.753 CV 1 ASSI { 406} (( segid " " and resid 52 and name HN )) (( segid " " and resid 62 and name HE22)) 4.200 2.200 1.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.11558E-02 ppm1 8.235 ppm2 6.482 CV 1 ASSI { 407} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HN )) 3.100 1.200 1.200 peak 407 spectrum 1 weight 0.10000E+01 volume 0.11558E-02 ppm1 7.806 ppm2 7.943 CV 1 ASSI { 408} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG3 )) 3.200 1.300 1.300 peak 408 spectrum 1 weight 0.10000E+01 volume 0.11558E-02 ppm1 7.310 ppm2 2.129 CV 1 OR { 408} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG2 )) OR { 408} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB3 )) ASSI { 409} (( segid " " and resid 64 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.900 1.900 1.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.11474E-02 ppm1 8.691 ppm2 1.257 CV 1 ASSI { 410} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.400 1.500 1.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.11474E-02 ppm1 8.364 ppm2 4.222 CV 1 ASSI { 411} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB3 )) 3.100 1.200 1.200 peak 411 spectrum 1 weight 0.10000E+01 volume 0.11432E-02 ppm1 6.927 ppm2 1.423 CV 1 ASSI { 413} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 3.300 1.300 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.11223E-02 ppm1 7.093 ppm2 4.151 CV 1 ASSI { 416} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA2 )) 2.900 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.11181E-02 ppm1 9.315 ppm2 4.049 CV 1 ASSI { 418} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 3.800 1.800 1.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.11014E-02 ppm1 8.694 ppm2 3.627 CV 1 OR { 418} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB3 )) ASSI { 419} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 3.100 1.200 1.200 peak 419 spectrum 1 weight 0.10000E+01 volume 0.10972E-02 ppm1 8.063 ppm2 7.773 CV 1 ASSI { 423} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HB3 )) 4.000 2.000 2.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.10846E-02 ppm1 7.582 ppm2 1.410 CV 1 ASSI { 424} (( segid " " and resid 96 and name HN )) (( segid " " and resid 61 and name HA )) 2.400 2.400 3.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.10804E-02 ppm1 7.902 ppm2 4.639 CV 1 ASSI { 427} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB3 )) 3.600 1.600 1.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.10721E-02 ppm1 8.519 ppm2 2.610 CV 1 OR { 427} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) ASSI { 429} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB3 )) 3.500 1.500 1.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.10721E-02 ppm1 8.425 ppm2 2.791 CV 1 OR { 429} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 430} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HG13)) 2.900 1.000 1.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.10679E-02 ppm1 9.214 ppm2 1.236 CV 1 ASSI { 432} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.100 1.200 1.200 peak 432 spectrum 1 weight 0.10000E+01 volume 0.10469E-02 ppm1 8.523 ppm2 4.783 CV 1 ASSI { 433} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB2 )) 3.800 1.800 1.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.10428E-02 ppm1 8.803 ppm2 1.156 CV 1 ASSI { 436} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 3.300 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 8.480 ppm2 4.237 CV 1 ASSI { 437} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HN )) 3.000 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 8.362 ppm2 8.911 CV 1 ASSI { 438} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 3.000 1.100 1.100 peak 438 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 7.456 ppm2 4.730 CV 1 ASSI { 439} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) 3.200 1.300 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 7.902 ppm2 3.654 CV 1 OR { 439} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB3 )) ASSI { 440} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB3 )) 3.100 1.200 1.200 peak 440 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 6.942 ppm2 2.700 CV 1 ASSI { 442} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 3.100 1.200 1.200 peak 442 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 8.142 ppm2 4.802 CV 1 ASSI { 444} (( segid " " and resid 45 and name HN )) (( segid " " and resid 81 and name HG )) 3.400 1.400 1.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.10051E-02 ppm1 9.094 ppm2 0.689 CV 1 ASSI { 445} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.900 1.100 1.100 peak 445 spectrum 1 weight 0.10000E+01 volume 0.10051E-02 ppm1 8.730 ppm2 3.131 CV 1 ASSI { 447} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB )) 3.200 1.200 1.200 peak 447 spectrum 1 weight 0.10000E+01 volume 0.10051E-02 ppm1 9.070 ppm2 1.788 CV 1 ASSI { 448} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 3.200 1.300 1.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.10009E-02 ppm1 8.279 ppm2 4.503 CV 1 ASSI { 452} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HG3 )) 4.000 2.000 2.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.98831E-03 ppm1 8.525 ppm2 1.301 CV 1 OR { 452} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HG2 )) ASSI { 455} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB3 )) 2.800 1.000 1.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.98411E-03 ppm1 8.074 ppm2 1.877 CV 1 OR { 455} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 456} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.900 1.100 1.100 peak 456 spectrum 1 weight 0.10000E+01 volume 0.98411E-03 ppm1 8.652 ppm2 4.138 CV 1 ASSI { 458} (( segid " " and resid 84 and name HN )) (( segid " " and resid 87 and name HB3 )) 3.700 1.700 1.700 peak 458 spectrum 1 weight 0.10000E+01 volume 0.97575E-03 ppm1 7.309 ppm2 3.353 CV 1 ASSI { 461} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB )) 3.800 1.900 1.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.97156E-03 ppm1 8.681 ppm2 4.180 CV 1 ASSI { 462} (( segid " " and resid 78 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.900 1.900 1.900 peak 462 spectrum 1 weight 0.10000E+01 volume 0.96736E-03 ppm1 8.208 ppm2 1.566 CV 1 ASSI { 464} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB3 )) 4.400 2.400 1.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.95900E-03 ppm1 7.310 ppm2 1.433 CV 1 ASSI { 465} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 2.800 1.000 1.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.95900E-03 ppm1 9.153 ppm2 4.590 CV 1 ASSI { 466} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 3.000 1.100 1.100 peak 466 spectrum 1 weight 0.10000E+01 volume 0.95061E-03 ppm1 8.503 ppm2 8.405 CV 1 ASSI { 476} (( segid " " and resid 55 and name HN )) (( segid " " and resid 91 and name HG )) 3.300 3.300 2.700 peak 476 spectrum 1 weight 0.10000E+01 volume 0.91291E-03 ppm1 7.813 ppm2 0.548 CV 1 ASSI { 480} (( segid " " and resid 55 and name HN )) (( segid " " and resid 57 and name HN )) 3.500 1.500 1.500 peak 480 spectrum 1 weight 0.10000E+01 volume 0.90456E-03 ppm1 7.812 ppm2 7.573 CV 1 ASSI { 481} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HB2 )) 3.800 1.800 1.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.90456E-03 ppm1 9.315 ppm2 2.613 CV 1 OR { 481} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HB3 )) ASSI { 482} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.800 1.000 1.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.90036E-03 ppm1 7.912 ppm2 3.226 CV 1 ASSI { 485} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG13)) 2.700 0.900 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.89616E-03 ppm1 8.812 ppm2 1.317 CV 1 ASSI { 486} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 3.100 1.200 1.200 peak 486 spectrum 1 weight 0.10000E+01 volume 0.89616E-03 ppm1 6.943 ppm2 3.879 CV 1 ASSI { 489} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 3.400 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.88781E-03 ppm1 7.311 ppm2 1.801 CV 1 ASSI { 491} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 3.200 1.300 1.300 peak 491 spectrum 1 weight 0.10000E+01 volume 0.88781E-03 ppm1 8.474 ppm2 4.096 CV 1 ASSI { 496} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HG3 )) 3.100 1.200 1.200 peak 496 spectrum 1 weight 0.10000E+01 volume 0.85851E-03 ppm1 8.475 ppm2 2.863 CV 1 ASSI { 498} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 3.100 1.200 1.200 peak 498 spectrum 1 weight 0.10000E+01 volume 0.85011E-03 ppm1 8.987 ppm2 8.215 CV 1 ASSI { 500} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB3 )) 3.500 1.600 1.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.85011E-03 ppm1 7.829 ppm2 3.335 CV 1 ASSI { 507} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HG )) 4.100 2.100 1.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.82081E-03 ppm1 8.608 ppm2 0.565 CV 1 ASSI { 508} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.700 1.700 1.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.81242E-03 ppm1 8.712 ppm2 3.639 CV 1 OR { 508} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB3 )) ASSI { 509} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 3.500 1.500 1.500 peak 509 spectrum 1 weight 0.10000E+01 volume 0.81242E-03 ppm1 8.424 ppm2 3.699 CV 1 ASSI { 510} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB3 )) 3.500 1.500 1.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.80826E-03 ppm1 8.216 ppm2 2.043 CV 1 ASSI { 512} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 3.100 1.200 1.200 peak 512 spectrum 1 weight 0.10000E+01 volume 0.80406E-03 ppm1 8.076 ppm2 4.434 CV 1 ASSI { 515} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.700 1.700 1.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.79567E-03 ppm1 8.681 ppm2 2.738 CV 1 ASSI { 516} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA1 )) 3.500 1.500 1.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.79567E-03 ppm1 7.757 ppm2 3.344 CV 1 ASSI { 518} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 3.300 1.300 1.300 peak 518 spectrum 1 weight 0.10000E+01 volume 0.78731E-03 ppm1 9.182 ppm2 5.282 CV 1 ASSI { 520} (( segid " " and resid 76 and name HN )) (( segid " " and resid 47 and name HB2 )) 4.100 2.100 1.900 peak 520 spectrum 1 weight 0.10000E+01 volume 0.78311E-03 ppm1 8.073 ppm2 1.123 CV 1 ASSI { 522} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 3.200 1.300 1.300 peak 522 spectrum 1 weight 0.10000E+01 volume 0.78311E-03 ppm1 9.164 ppm2 3.791 CV 1 ASSI { 523} (( segid " " and resid 45 and name HN )) (( segid " " and resid 34 and name HB )) 4.600 2.600 1.400 peak 523 spectrum 1 weight 0.10000E+01 volume 0.78311E-03 ppm1 9.094 ppm2 4.100 CV 1 ASSI { 525} (( segid " " and resid 21 and name HN )) (( segid " " and resid 88 and name HA )) 2.900 1.000 1.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.77892E-03 ppm1 8.815 ppm2 5.435 CV 1 ASSI { 527} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA2 )) 3.500 1.600 1.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.77472E-03 ppm1 8.184 ppm2 4.043 CV 1 ASSI { 529} (( segid " " and resid 40 and name HN )) (( segid " " and resid 42 and name HA )) 4.000 2.000 2.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.77056E-03 ppm1 8.477 ppm2 4.636 CV 1 ASSI { 533} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 3.400 1.400 1.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.76636E-03 ppm1 8.523 ppm2 4.864 CV 1 ASSI { 536} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB )) 3.400 1.400 1.400 peak 536 spectrum 1 weight 0.10000E+01 volume 0.75381E-03 ppm1 8.686 ppm2 4.185 CV 1 ASSI { 537} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB2 )) 3.500 1.500 1.500 peak 537 spectrum 1 weight 0.10000E+01 volume 0.75381E-03 ppm1 7.829 ppm2 3.213 CV 1 ASSI { 538} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.000 2.000 2.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.74961E-03 ppm1 8.424 ppm2 3.432 CV 1 ASSI { 540} (( segid " " and resid 78 and name HN )) (( segid " " and resid 81 and name HG )) 4.200 2.200 1.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.74542E-03 ppm1 8.215 ppm2 0.685 CV 1 ASSI { 543} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG3 )) 4.300 2.300 1.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.72031E-03 ppm1 8.363 ppm2 2.436 CV 1 ASSI { 544} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.71192E-03 ppm1 8.281 ppm2 5.434 CV 1 ASSI { 549} (( segid " " and resid 65 and name HN )) (( segid " " and resid 90 and name HB2 )) 3.800 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.70356E-03 ppm1 9.215 ppm2 1.967 CV 1 OR { 549} (( segid " " and resid 65 and name HN )) (( segid " " and resid 90 and name HB3 )) ASSI { 550} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG2 )) 3.900 1.900 1.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.70356E-03 ppm1 7.782 ppm2 1.464 CV 1 ASSI { 552} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 3.300 1.400 1.400 peak 552 spectrum 1 weight 0.10000E+01 volume 0.69517E-03 ppm1 6.929 ppm2 3.828 CV 1 ASSI { 553} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HB3 )) 3.900 1.900 1.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.69097E-03 ppm1 7.091 ppm2 2.049 CV 1 ASSI { 554} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 3.200 1.300 1.300 peak 554 spectrum 1 weight 0.10000E+01 volume 0.68677E-03 ppm1 9.094 ppm2 7.174 CV 1 ASSI { 555} (( segid " " and resid 22 and name HN )) (( segid " " and resid 29 and name HB3 )) 3.800 1.800 1.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.68677E-03 ppm1 9.180 ppm2 2.594 CV 1 OR { 555} (( segid " " and resid 22 and name HN )) (( segid " " and resid 29 and name HB2 )) ASSI { 558} (( segid " " and resid 69 and name HN )) (( segid " " and resid 65 and name HA )) 4.100 2.100 1.900 peak 558 spectrum 1 weight 0.10000E+01 volume 0.67002E-03 ppm1 7.762 ppm2 4.716 CV 1 ASSI { 561} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA1 )) 3.300 1.300 1.300 peak 561 spectrum 1 weight 0.10000E+01 volume 0.66167E-03 ppm1 6.926 ppm2 3.712 CV 1 ASSI { 563} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HN )) 3.700 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.66167E-03 ppm1 8.596 ppm2 8.299 CV 1 ASSI { 565} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) 3.400 1.500 1.500 peak 565 spectrum 1 weight 0.10000E+01 volume 0.65327E-03 ppm1 8.476 ppm2 8.192 CV 1 ASSI { 566} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB2 )) 4.300 2.300 1.700 peak 566 spectrum 1 weight 0.10000E+01 volume 0.65327E-03 ppm1 7.312 ppm2 1.221 CV 1 ASSI { 567} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HD2 )) 3.000 1.100 1.100 peak 567 spectrum 1 weight 0.10000E+01 volume 0.64492E-03 ppm1 7.785 ppm2 3.158 CV 1 ASSI { 569} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.600 1.600 1.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.63652E-03 ppm1 7.092 ppm2 3.746 CV 1 OR { 569} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB3 )) ASSI { 570} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 3.300 1.300 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.63652E-03 ppm1 9.219 ppm2 4.712 CV 1 ASSI { 572} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HG )) 3.900 1.900 1.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.63652E-03 ppm1 8.851 ppm2 0.548 CV 1 ASSI { 574} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB3 )) 3.500 1.500 1.500 peak 574 spectrum 1 weight 0.10000E+01 volume 0.62817E-03 ppm1 8.277 ppm2 1.948 CV 1 ASSI { 576} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 3.100 1.200 1.200 peak 576 spectrum 1 weight 0.10000E+01 volume 0.61978E-03 ppm1 8.057 ppm2 9.057 CV 1 ASSI { 578} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HN )) 3.200 1.300 1.300 peak 578 spectrum 1 weight 0.10000E+01 volume 0.61562E-03 ppm1 9.095 ppm2 7.917 CV 1 ASSI { 582} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB2 )) 3.500 1.600 1.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.59887E-03 ppm1 8.853 ppm2 1.967 CV 1 OR { 582} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB3 )) ASSI { 584} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 3.900 1.900 1.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.59467E-03 ppm1 9.050 ppm2 8.932 CV 1 ASSI { 585} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB3 )) 4.400 2.400 1.600 peak 585 spectrum 1 weight 0.10000E+01 volume 0.59047E-03 ppm1 9.163 ppm2 1.509 CV 1 ASSI { 586} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HG2 )) 4.200 2.200 1.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.58628E-03 ppm1 7.580 ppm2 1.577 CV 1 ASSI { 592} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG2 )) 4.800 2.900 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.56533E-03 ppm1 8.360 ppm2 2.348 CV 1 ASSI { 594} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB )) 4.100 2.100 1.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.56533E-03 ppm1 9.182 ppm2 1.650 CV 1 ASSI { 595} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB3 )) 4.100 2.100 1.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.56117E-03 ppm1 7.807 ppm2 2.225 CV 1 ASSI { 598} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HB3 )) 3.600 1.600 1.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.54858E-03 ppm1 8.987 ppm2 2.042 CV 1 ASSI { 600} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HN )) 4.400 2.400 1.600 peak 600 spectrum 1 weight 0.10000E+01 volume 0.54858E-03 ppm1 9.752 ppm2 7.163 CV 1 ASSI { 601} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HG3 )) 4.100 2.100 1.900 peak 601 spectrum 1 weight 0.10000E+01 volume 0.54442E-03 ppm1 8.275 ppm2 2.113 CV 1 OR { 601} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HG2 )) ASSI { 602} (( segid " " and resid 84 and name HN )) (( segid " " and resid 87 and name HB2 )) 3.600 1.700 1.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.54442E-03 ppm1 7.313 ppm2 3.222 CV 1 ASSI { 603} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.900 1.900 1.900 peak 603 spectrum 1 weight 0.10000E+01 volume 0.54442E-03 ppm1 8.989 ppm2 1.724 CV 1 ASSI { 605} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB3 )) 4.200 2.200 1.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.54022E-03 ppm1 8.693 ppm2 2.424 CV 1 OR { 605} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) ASSI { 606} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG )) 4.300 2.300 1.700 peak 606 spectrum 1 weight 0.10000E+01 volume 0.54022E-03 ppm1 8.988 ppm2 1.202 CV 1 ASSI { 607} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.100 2.100 1.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.54022E-03 ppm1 8.498 ppm2 1.866 CV 1 ASSI { 608} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.400 1.500 1.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.53603E-03 ppm1 7.785 ppm2 1.040 CV 1 ASSI { 612} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) 4.400 2.400 1.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.51508E-03 ppm1 6.942 ppm2 2.597 CV 1 ASSI { 613} (( segid " " and resid 83 and name HN )) (( segid " " and resid 79 and name HA )) 3.800 1.800 1.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.51092E-03 ppm1 6.926 ppm2 4.001 CV 1 ASSI { 615} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 3.600 1.600 1.600 peak 615 spectrum 1 weight 0.10000E+01 volume 0.50672E-03 ppm1 7.909 ppm2 4.279 CV 1 ASSI { 618} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG2 )) 4.300 2.300 1.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.50253E-03 ppm1 7.904 ppm2 1.289 CV 1 ASSI { 620} (( segid " " and resid 81 and name HN )) (( segid " " and resid 78 and name HA )) 4.100 2.100 1.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.49833E-03 ppm1 7.061 ppm2 3.728 CV 1 ASSI { 625} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HA )) 4.000 2.000 2.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.48578E-03 ppm1 6.942 ppm2 3.231 CV 1 ASSI { 626} (( segid " " and resid 85 and name HN )) (( segid " " and resid 18 and name HG )) 3.900 1.900 1.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.47742E-03 ppm1 8.595 ppm2 0.389 CV 1 ASSI { 627} (( segid " " and resid 38 and name HN )) (( segid " " and resid 42 and name HA )) 4.800 2.900 1.200 peak 627 spectrum 1 weight 0.10000E+01 volume 0.47742E-03 ppm1 8.499 ppm2 4.641 CV 1 ASSI { 628} (( segid " " and resid 22 and name HN )) (( segid " " and resid 28 and name HB3 )) 4.500 2.500 1.500 peak 628 spectrum 1 weight 0.10000E+01 volume 0.47323E-03 ppm1 9.176 ppm2 1.422 CV 1 OR { 628} (( segid " " and resid 22 and name HN )) (( segid " " and resid 28 and name HB2 )) ASSI { 631} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB3 )) 3.600 1.600 1.600 peak 631 spectrum 1 weight 0.10000E+01 volume 0.46903E-03 ppm1 8.364 ppm2 1.906 CV 1 ASSI { 632} (( segid " " and resid 81 and name HN )) (( segid " " and resid 78 and name HG )) 4.800 2.900 1.200 peak 632 spectrum 1 weight 0.10000E+01 volume 0.46903E-03 ppm1 7.059 ppm2 1.208 CV 1 ASSI { 634} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 3.700 1.700 1.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.46067E-03 ppm1 7.799 ppm2 4.668 CV 1 ASSI { 636} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 3.800 1.800 1.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.45648E-03 ppm1 7.172 ppm2 3.801 CV 1 ASSI { 645} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 3.300 1.400 1.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.43133E-03 ppm1 9.760 ppm2 4.996 CV 1 ASSI { 646} (( segid " " and resid 52 and name HN )) (( segid " " and resid 62 and name HE21)) 5.000 3.200 1.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.42713E-03 ppm1 8.234 ppm2 6.768 CV 1 ASSI { 647} (( segid " " and resid 24 and name HN )) (( segid " " and resid 27 and name HB3 )) 3.700 1.700 1.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.42713E-03 ppm1 8.679 ppm2 2.145 CV 1 OR { 647} (( segid " " and resid 24 and name HN )) (( segid " " and resid 27 and name HG2 )) ASSI { 648} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HN )) 4.200 2.200 1.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.42298E-03 ppm1 8.715 ppm2 8.558 CV 1 ASSI { 652} (( segid " " and resid 86 and name HN )) (( segid " " and resid 19 and name HN )) 3.700 1.700 1.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.40788E-03 ppm1 9.316 ppm2 8.807 CV 1 ASSI { 658} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 3.800 1.800 1.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.37690E-03 ppm1 7.953 ppm2 3.134 CV 1 ASSI { 661} (( segid " " and resid 23 and name HN )) (( segid " " and resid 91 and name HN )) 4.200 2.200 1.800 peak 661 spectrum 1 weight 0.10000E+01 volume 0.37229E-03 ppm1 8.684 ppm2 8.853 CV 1 ASSI { 662} (( segid " " and resid 36 and name HN )) (( segid " " and resid 39 and name HB3 )) 4.800 2.900 1.200 peak 662 spectrum 1 weight 0.10000E+01 volume 0.36936E-03 ppm1 8.650 ppm2 2.817 CV 1 OR { 662} (( segid " " and resid 36 and name HN )) (( segid " " and resid 39 and name HB2 )) ASSI { 663} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 3.700 1.700 1.700 peak 663 spectrum 1 weight 0.10000E+01 volume 0.36852E-03 ppm1 8.731 ppm2 4.091 CV 1 ASSI { 665} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HD3 )) 3.700 1.700 1.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.36559E-03 ppm1 8.281 ppm2 3.076 CV 1 OR { 665} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HD2 )) ASSI { 666} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG2 )) 4.100 2.100 1.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.36559E-03 ppm1 8.189 ppm2 2.430 CV 1 OR { 666} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG3 )) ASSI { 669} (( segid " " and resid 53 and name HN )) (( segid " " and resid 49 and name HA )) 4.000 2.000 2.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.35177E-03 ppm1 7.442 ppm2 3.941 CV 1 ASSI { 670} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.000 2.000 2.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.34256E-03 ppm1 8.184 ppm2 1.832 CV 1 ASSI { 673} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.700 1.700 1.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.32371E-03 ppm1 8.099 ppm2 1.871 CV 1 ASSI { 674} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HA2 )) 3.700 1.700 1.700 peak 674 spectrum 1 weight 0.10000E+01 volume 0.31953E-03 ppm1 7.827 ppm2 4.036 CV 1 ASSI { 675} (( segid " " and resid 53 and name HN )) (( segid " " and resid 31 and name HB2 )) 4.900 3.100 1.100 peak 675 spectrum 1 weight 0.10000E+01 volume 0.31785E-03 ppm1 7.441 ppm2 1.055 CV 1 ASSI { 676} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.100 2.100 1.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.31492E-03 ppm1 9.391 ppm2 3.419 CV 1 ASSI { 679} (( segid " " and resid 65 and name HN )) (( segid " " and resid 92 and name HN )) 4.800 2.900 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.30822E-03 ppm1 9.214 ppm2 9.084 CV 1 ASSI { 682} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HG2 )) 4.200 2.200 1.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.29440E-03 ppm1 8.382 ppm2 2.249 CV 1 OR { 682} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HG3 )) ASSI { 686} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 3.800 1.800 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.27932E-03 ppm1 8.238 ppm2 3.137 CV 1 ASSI { 687} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG )) 5.500 3.700 0.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.27681E-03 ppm1 8.283 ppm2 0.468 CV 1 ASSI { 688} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HB2 )) 4.700 2.700 1.300 peak 688 spectrum 1 weight 0.10000E+01 volume 0.27262E-03 ppm1 7.092 ppm2 1.573 CV 1 ASSI { 691} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HN )) 4.800 2.900 1.200 peak 691 spectrum 1 weight 0.10000E+01 volume 0.25671E-03 ppm1 8.279 ppm2 7.836 CV 1 ASSI { 692} (( segid " " and resid 14 and name HN )) (( segid " " and resid 35 and name HA )) 5.200 3.400 0.800 peak 692 spectrum 1 weight 0.10000E+01 volume 0.25587E-03 ppm1 8.742 ppm2 4.428 CV 1 ASSI { 693} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HG )) 5.100 3.200 0.900 peak 693 spectrum 1 weight 0.10000E+01 volume 0.25336E-03 ppm1 8.804 ppm2 0.373 CV 1 ASSI { 694} (( segid " " and resid 22 and name HN )) (( segid " " and resid 31 and name HG )) 5.400 3.600 0.600 peak 694 spectrum 1 weight 0.10000E+01 volume 0.24917E-03 ppm1 9.181 ppm2 0.480 CV 1 ASSI { 695} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HN )) 4.400 2.400 1.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.24331E-03 ppm1 7.913 ppm2 7.156 CV 1 ASSI { 703} (( segid " " and resid 80 and name HN )) (( segid " " and resid 83 and name HN )) 4.900 3.000 1.100 peak 703 spectrum 1 weight 0.10000E+01 volume 0.21106E-03 ppm1 7.093 ppm2 6.892 CV 1 ASSI { 707} (( segid " " and resid 33 and name HN )) (( segid " " and resid 18 and name HB2 )) 4.400 2.500 1.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.20101E-03 ppm1 9.164 ppm2 1.135 CV 1 ASSI { 711} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG3 )) 4.700 2.800 1.300 peak 711 spectrum 1 weight 0.10000E+01 volume 0.19054E-03 ppm1 8.480 ppm2 2.132 CV 1 OR { 711} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG2 )) ASSI { 712} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB3 )) 4.900 3.000 1.100 peak 712 spectrum 1 weight 0.10000E+01 volume 0.17547E-03 ppm1 9.384 ppm2 3.874 CV 1 ASSI { 714} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HB2 )) 4.500 2.500 1.500 peak 714 spectrum 1 weight 0.10000E+01 volume 0.16960E-03 ppm1 7.757 ppm2 1.071 CV 1 ASSI { 717} (( segid " " and resid 45 and name HN )) (( segid " " and resid 78 and name HG )) 5.500 3.800 0.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.15746E-03 ppm1 9.096 ppm2 1.245 CV 1 ASSI { 718} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HA )) 5.300 3.500 0.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.15537E-03 ppm1 8.989 ppm2 4.651 CV 1 ASSI { 719} (( segid " " and resid 82 and name HN )) (( segid " " and resid 67 and name HD2 )) 4.500 2.500 1.500 peak 719 spectrum 1 weight 0.10000E+01 volume 0.15369E-03 ppm1 7.582 ppm2 1.236 CV 1 OR { 719} (( segid " " and resid 82 and name HN )) (( segid " " and resid 67 and name HD3 )) ASSI { 721} (( segid " " and resid 43 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.700 2.800 1.300 peak 721 spectrum 1 weight 0.10000E+01 volume 0.15285E-03 ppm1 9.761 ppm2 1.846 CV 1 ASSI { 724} (( segid " " and resid 46 and name HN )) (( segid " " and resid 48 and name HN )) 4.500 2.500 1.500 peak 724 spectrum 1 weight 0.10000E+01 volume 0.14950E-03 ppm1 7.173 ppm2 8.888 CV 1 ASSI { 726} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB2 )) 5.600 4.000 0.400 peak 726 spectrum 1 weight 0.10000E+01 volume 0.13820E-03 ppm1 9.392 ppm2 2.725 CV 1 ASSI { 729} (( segid " " and resid 43 and name HN )) (( segid " " and resid 78 and name HG )) 5.500 3.800 0.500 peak 729 spectrum 1 weight 0.10000E+01 volume 0.12354E-03 ppm1 9.752 ppm2 1.194 CV 1 ASSI { 734} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 4.300 2.300 1.700 peak 734 spectrum 1 weight 0.10000E+01 volume 0.11809E-03 ppm1 9.093 ppm2 3.216 CV 1 ASSI { 736} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG13)) 6.000 4.400 0.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.10595E-03 ppm1 9.183 ppm2 1.312 CV 1 ASSI { 742} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HN )) 5.400 3.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.94645E-04 ppm1 9.314 ppm2 8.605 CV 1 ASSI { 745} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG3 )) 5.900 4.300 0.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.90036E-04 ppm1 8.145 ppm2 1.180 CV 1 OR { 745} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG2 )) ASSI { 754} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG2 )) 5.400 3.600 0.600 peak 754 spectrum 1 weight 0.10000E+01 volume 0.69097E-04 ppm1 8.079 ppm2 2.117 CV 1 OR { 754} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG3 )) ASSI { 760} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG2 )) 5.900 4.400 0.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.59047E-04 ppm1 8.305 ppm2 2.451 CV 1 ASSI { 761} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HG )) 6.000 4.600 0.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.54858E-04 ppm1 8.895 ppm2 0.936 CV 1 ASSI { 762} (( segid " " and resid 47 and name HN )) (( segid " " and resid 50 and name HG )) 5.300 3.600 0.700 peak 762 spectrum 1 weight 0.10000E+01 volume 0.54022E-04 ppm1 6.941 ppm2 0.909 CV 1 ASSI { 764} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HB3 )) 5.800 4.100 0.200 peak 764 spectrum 1 weight 0.10000E+01 volume 0.51092E-04 ppm1 8.728 ppm2 2.011 CV 1 OR { 764} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HB2 )) ASSI { 768} (( segid " " and resid 21 and name HN )) (( segid " " and resid 87 and name HN )) 6.000 5.000 0.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.37648E-04 ppm1 8.812 ppm2 7.830 CV 1 ASSI { 770} (( segid " " and resid 10 and name HN )) (( segid " " and resid 17 and name HG2 )) 5.700 4.000 0.300 peak 770 spectrum 1 weight 0.10000E+01 volume 0.31366E-04 ppm1 8.095 ppm2 1.401 CV 1 OR { 770} (( segid " " and resid 10 and name HN )) (( segid " " and resid 17 and name HG3 )) ASSI { 774} (( segid " " and resid 46 and name HN )) (( segid " " and resid 34 and name HB )) 6.000 6.000 0.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.15955E-04 ppm1 7.174 ppm2 4.100 CV 1 ASSI { 776} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HG2 )) 6.000 6.000 0.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.35219E-06 ppm1 8.748 ppm2 2.252 CV 1 ASSI { 32} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 49 and name HB3 )) 1.700 1.700 4.300 peak 32 spectrum 1 weight 0.10000E+01 volume 0.43341E-01 ppm1 2.426 ppm2 2.104 CV 1 ASSI { 35} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 1.600 1.600 4.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.42325E-01 ppm1 4.145 ppm2 8.365 CV 1 ASSI { 40} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HG2 )) 1.800 1.800 4.200 peak 40 spectrum 1 weight 0.10000E+01 volume 0.38262E-01 ppm1 1.994 ppm2 1.450 CV 1 ASSI { 43} (( segid " " and resid 16 and name HD3 )) (( segid " " and resid 16 and name HB2 )) 2.100 2.100 3.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.35892E-01 ppm1 3.554 ppm2 1.739 CV 1 ASSI { 54} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HD3 )) 1.600 0.300 0.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.30000E-01 ppm1 1.936 ppm2 3.572 CV 1 OR { 54} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 16 and name HD3 )) ASSI { 55} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 69 and name HA )) 2.100 2.100 3.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.29899E-01 ppm1 3.649 ppm2 4.555 CV 1 OR { 55} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 69 and name HA )) ASSI { 58} (( segid " " and resid 69 and name HD3 )) (( segid " " and resid 69 and name HE3 )) 1.600 0.300 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.29120E-01 ppm1 1.618 ppm2 2.945 CV 1 OR { 58} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 69 and name HE2 )) OR { 58} (( segid " " and resid 69 and name HD3 )) (( segid " " and resid 69 and name HE2 )) OR { 58} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 69 and name HE3 )) ASSI { 65} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 60 and name HD3 )) 2.600 2.600 3.400 peak 65 spectrum 1 weight 0.10000E+01 volume 0.27461E-01 ppm1 1.878 ppm2 3.567 CV 1 OR { 65} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 60 and name HD3 )) ASSI { 69} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HD2 )) 1.800 0.400 0.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.26546E-01 ppm1 1.837 ppm2 3.533 CV 1 OR { 69} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HD3 )) OR { 69} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HD2 )) OR { 69} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HD3 )) ASSI { 70} (( segid " " and resid 43 and name HB )) (( segid " " and resid 81 and name HG )) 2.000 2.000 4.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.26174E-01 ppm1 2.025 ppm2 0.680 CV 1 ASSI { 90} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 7 and name HN )) 1.500 0.300 0.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.20519E-01 ppm1 1.912 ppm2 8.185 CV 1 ASSI { 97} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HE2 )) 2.400 2.400 3.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.19233E-01 ppm1 1.544 ppm2 2.762 CV 1 OR { 97} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HE3 )) ASSI { 101} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 16 and name HA )) 1.900 0.400 0.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.18725E-01 ppm1 2.226 ppm2 4.347 CV 1 ASSI { 102} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HG3 )) 1.600 0.300 0.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.18589E-01 ppm1 2.338 ppm2 2.389 CV 1 ASSI { 104} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HA )) 2.000 2.000 4.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.18454E-01 ppm1 2.602 ppm2 4.687 CV 1 ASSI { 116} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB2 )) 2.000 2.000 4.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.17438E-01 ppm1 4.299 ppm2 1.651 CV 1 ASSI { 124} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 91 and name HG )) 1.500 0.300 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.16998E-01 ppm1 1.453 ppm2 0.577 CV 1 ASSI { 129} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 28 and name HG3 )) 1.900 0.500 0.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.16727E-01 ppm1 2.939 ppm2 1.230 CV 1 OR { 129} (( segid " " and resid 28 and name HD3 )) (( segid " " and resid 28 and name HG2 )) OR { 129} (( segid " " and resid 28 and name HD3 )) (( segid " " and resid 28 and name HG3 )) OR { 129} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 28 and name HG2 )) ASSI { 130} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 60 and name HD3 )) 2.100 0.600 0.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.16693E-01 ppm1 1.663 ppm2 3.577 CV 1 ASSI { 131} (( segid " " and resid 27 and name HG3 )) (( segid " " and resid 27 and name HA )) 2.100 0.500 0.500 peak 131 spectrum 1 weight 0.10000E+01 volume 0.16659E-01 ppm1 2.174 ppm2 4.334 CV 1 OR { 131} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 27 and name HA )) ASSI { 141} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 61 and name HA )) 2.200 2.200 3.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.16117E-01 ppm1 1.897 ppm2 4.710 CV 1 ASSI { 153} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HN )) 1.600 0.300 0.600 peak 153 spectrum 1 weight 0.10000E+01 volume 0.15102E-01 ppm1 4.340 ppm2 8.211 CV 1 ASSI { 161} (( segid " " and resid 68 and name HA2 )) (( segid " " and resid 68 and name HN )) 2.300 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.14797E-01 ppm1 3.970 ppm2 8.021 CV 1 ASSI { 171} (( segid " " and resid 69 and name HG3 )) (( segid " " and resid 69 and name HE3 )) 2.200 0.600 0.600 peak 171 spectrum 1 weight 0.10000E+01 volume 0.14018E-01 ppm1 1.368 ppm2 2.958 CV 1 OR { 171} (( segid " " and resid 69 and name HG3 )) (( segid " " and resid 69 and name HE2 )) OR { 171} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 69 and name HE3 )) OR { 171} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 69 and name HE2 )) ASSI { 173} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 60 and name HD3 )) 3.000 1.100 1.100 peak 173 spectrum 1 weight 0.10000E+01 volume 0.13984E-01 ppm1 2.239 ppm2 3.569 CV 1 ASSI { 174} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HA )) 2.100 0.500 0.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.13950E-01 ppm1 2.198 ppm2 3.811 CV 1 OR { 174} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 45 and name HA )) ASSI { 175} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 19 and name HB3 )) 2.400 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.13950E-01 ppm1 2.605 ppm2 3.616 CV 1 OR { 175} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 19 and name HB2 )) OR { 175} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 19 and name HB3 )) OR { 175} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 19 and name HB2 )) ASSI { 189} (( segid " " and resid 52 and name HA )) (( segid " " and resid 64 and name HB2 )) 2.800 2.800 3.200 peak 189 spectrum 1 weight 0.10000E+01 volume 0.13578E-01 ppm1 3.805 ppm2 0.852 CV 1 ASSI { 194} (( segid " " and resid 52 and name HA )) (( segid " " and resid 91 and name HG )) 2.200 2.200 3.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.13442E-01 ppm1 3.765 ppm2 0.579 CV 1 ASSI { 199} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 71 and name HB2 )) 1.400 0.200 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.13307E-01 ppm1 1.765 ppm2 1.324 CV 1 ASSI { 200} (( segid " " and resid 89 and name HA )) (( segid " " and resid 90 and name HN )) 1.700 0.400 0.500 peak 200 spectrum 1 weight 0.10000E+01 volume 0.13273E-01 ppm1 4.558 ppm2 8.752 CV 1 ASSI { 202} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 67 and name HE3 )) 1.900 0.500 0.500 peak 202 spectrum 1 weight 0.10000E+01 volume 0.13172E-01 ppm1 0.602 ppm2 2.785 CV 1 OR { 202} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 67 and name HE2 )) ASSI { 210} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HB3 )) 1.800 0.400 0.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.13002E-01 ppm1 2.331 ppm2 2.129 CV 1 ASSI { 216} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 61 and name HA )) 2.300 2.300 3.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.12799E-01 ppm1 1.383 ppm2 4.666 CV 1 ASSI { 217} (( segid " " and resid 92 and name HA )) (( segid " " and resid 93 and name HN )) 2.000 0.500 0.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.12766E-01 ppm1 4.463 ppm2 8.578 CV 1 ASSI { 222} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 30 and name HA )) 2.200 2.200 3.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.12562E-01 ppm1 1.020 ppm2 4.864 CV 1 ASSI { 223} (( segid " " and resid 69 and name HG3 )) (( segid " " and resid 69 and name HA )) 2.000 0.500 0.500 peak 223 spectrum 1 weight 0.10000E+01 volume 0.12528E-01 ppm1 1.289 ppm2 4.540 CV 1 OR { 223} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 69 and name HA )) ASSI { 225} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HN )) 2.000 0.500 0.500 peak 225 spectrum 1 weight 0.10000E+01 volume 0.12393E-01 ppm1 1.806 ppm2 8.418 CV 1 ASSI { 230} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HD2 )) 2.000 0.500 0.500 peak 230 spectrum 1 weight 0.10000E+01 volume 0.12054E-01 ppm1 1.553 ppm2 2.966 CV 1 OR { 230} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HD3 )) ASSI { 231} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 59 and name HB3 )) 1.900 0.500 0.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.12054E-01 ppm1 3.580 ppm2 1.518 CV 1 OR { 231} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 59 and name HB2 )) ASSI { 233} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 36 and name HN )) 2.400 0.700 0.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.11987E-01 ppm1 1.883 ppm2 8.691 CV 1 ASSI { 234} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB )) 2.100 2.100 3.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.11987E-01 ppm1 4.440 ppm2 1.779 CV 1 ASSI { 235} (( segid " " and resid 58 and name HA )) (( segid " " and resid 52 and name HB3 )) 2.600 2.600 3.400 peak 235 spectrum 1 weight 0.10000E+01 volume 0.11885E-01 ppm1 4.292 ppm2 2.056 CV 1 ASSI { 236} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HG )) 2.100 2.100 3.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.11885E-01 ppm1 3.871 ppm2 0.931 CV 1 ASSI { 237} (( segid " " and resid 16 and name HD3 )) (( segid " " and resid 16 and name HD2 )) 1.500 0.300 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.11885E-01 ppm1 3.584 ppm2 3.743 CV 1 ASSI { 249} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 65 and name HA )) 2.300 2.300 3.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.11513E-01 ppm1 2.887 ppm2 4.731 CV 1 OR { 249} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 65 and name HA )) ASSI { 256} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB3 )) 1.700 0.300 0.500 peak 256 spectrum 1 weight 0.10000E+01 volume 0.11275E-01 ppm1 1.312 ppm2 1.486 CV 1 ASSI { 259} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 21 and name HA )) 2.100 2.100 3.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.11242E-01 ppm1 1.019 ppm2 4.726 CV 1 ASSI { 261} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB2 )) 2.100 0.600 0.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.11174E-01 ppm1 3.850 ppm2 1.232 CV 1 ASSI { 262} (( segid " " and resid 68 and name HA2 )) (( segid " " and resid 69 and name HN )) 2.300 0.700 0.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.11140E-01 ppm1 3.966 ppm2 7.766 CV 1 ASSI { 265} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HG3 )) 1.900 0.500 0.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.11072E-01 ppm1 3.762 ppm2 1.914 CV 1 OR { 265} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HG2 )) ASSI { 275} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 70 and name HA )) 2.400 2.400 3.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.10835E-01 ppm1 2.862 ppm2 4.774 CV 1 OR { 275} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 70 and name HA )) ASSI { 277} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.000 2.000 4.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.10768E-01 ppm1 4.275 ppm2 7.987 CV 1 ASSI { 282} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HG13)) 2.300 0.600 0.600 peak 282 spectrum 1 weight 0.10000E+01 volume 0.10700E-01 ppm1 4.469 ppm2 1.415 CV 1 ASSI { 283} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 95 and name HN )) 2.600 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.10666E-01 ppm1 1.697 ppm2 8.425 CV 1 ASSI { 284} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB )) 2.000 0.500 0.500 peak 284 spectrum 1 weight 0.10000E+01 volume 0.10666E-01 ppm1 4.507 ppm2 1.594 CV 1 ASSI { 301} (( segid " " and resid 8 and name HA )) (( segid " " and resid 10 and name HN )) 2.700 2.700 3.300 peak 301 spectrum 1 weight 0.10000E+01 volume 0.10192E-01 ppm1 3.970 ppm2 8.093 CV 1 ASSI { 303} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HG )) 2.200 0.600 0.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.10158E-01 ppm1 1.399 ppm2 1.237 CV 1 ASSI { 304} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 12 and name HN )) 2.100 0.500 0.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.10158E-01 ppm1 2.162 ppm2 8.299 CV 1 OR { 304} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 12 and name HN )) ASSI { 312} (( segid " " and resid 43 and name HB )) (( segid " " and resid 43 and name HA )) 1.900 0.500 0.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.99551E-02 ppm1 2.029 ppm2 5.008 CV 1 ASSI { 313} (( segid " " and resid 85 and name HA )) (( segid " " and resid 86 and name HN )) 1.800 0.400 0.400 peak 313 spectrum 1 weight 0.10000E+01 volume 0.99551E-02 ppm1 4.801 ppm2 9.296 CV 1 ASSI { 314} (( segid " " and resid 6 and name HG3 )) (( segid " " and resid 19 and name HN )) 2.800 2.800 3.200 peak 314 spectrum 1 weight 0.10000E+01 volume 0.99212E-02 ppm1 2.142 ppm2 8.806 CV 1 OR { 314} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 19 and name HN )) ASSI { 335} (( segid " " and resid 28 and name HD3 )) (( segid " " and resid 21 and name HA )) 2.200 0.600 0.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.95484E-02 ppm1 2.945 ppm2 4.684 CV 1 OR { 335} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 21 and name HA )) ASSI { 343} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 70 and name HA )) 2.200 0.600 0.600 peak 343 spectrum 1 weight 0.10000E+01 volume 0.94133E-02 ppm1 3.644 ppm2 4.789 CV 1 OR { 343} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HA )) ASSI { 349} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 44 and name HN )) 3.800 1.800 1.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.92439E-02 ppm1 1.902 ppm2 7.950 CV 1 OR { 349} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 44 and name HN )) ASSI { 353} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 46 and name HA )) 2.600 2.600 3.400 peak 353 spectrum 1 weight 0.10000E+01 volume 0.91761E-02 ppm1 1.503 ppm2 4.243 CV 1 ASSI { 358} (( segid " " and resid 49 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.500 2.500 3.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.91083E-02 ppm1 3.893 ppm2 1.256 CV 1 ASSI { 359} (( segid " " and resid 57 and name HB )) (( segid " " and resid 52 and name HA )) 2.300 2.300 3.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.91083E-02 ppm1 1.518 ppm2 3.740 CV 1 ASSI { 369} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HN )) 2.200 2.200 3.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.88376E-02 ppm1 1.927 ppm2 8.201 CV 1 OR { 369} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HN )) ASSI { 378} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 14 and name HN )) 2.000 0.500 0.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.86682E-02 ppm1 1.768 ppm2 8.707 CV 1 ASSI { 380} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 81 and name HN )) 3.100 3.100 2.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.86343E-02 ppm1 1.609 ppm2 7.018 CV 1 OR { 380} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 81 and name HN )) ASSI { 385} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.85327E-02 ppm1 2.034 ppm2 7.340 CV 1 ASSI { 388} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 16 and name HB3 )) 2.100 0.500 0.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.84649E-02 ppm1 2.760 ppm2 2.240 CV 1 OR { 388} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 16 and name HB3 )) ASSI { 395} (( segid " " and resid 3 and name HG3 )) (( segid " " and resid 4 and name HN )) 2.200 0.600 0.600 peak 395 spectrum 1 weight 0.10000E+01 volume 0.82620E-02 ppm1 1.267 ppm2 8.050 CV 1 OR { 395} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 4 and name HN )) ASSI { 396} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HA )) 2.900 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.82620E-02 ppm1 1.450 ppm2 4.187 CV 1 ASSI { 414} (( segid " " and resid 92 and name HB )) (( segid " " and resid 91 and name HA )) 2.800 2.800 3.200 peak 414 spectrum 1 weight 0.10000E+01 volume 0.79232E-02 ppm1 1.803 ppm2 5.140 CV 1 ASSI { 432} (( segid " " and resid 22 and name HB )) (( segid " " and resid 95 and name HG2 )) 2.700 2.700 3.300 peak 432 spectrum 1 weight 0.10000E+01 volume 0.76864E-02 ppm1 1.759 ppm2 1.266 CV 1 OR { 432} (( segid " " and resid 22 and name HB )) (( segid " " and resid 95 and name HG3 )) ASSI { 433} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 14 and name HG3 )) 2.100 0.600 0.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.76864E-02 ppm1 2.830 ppm2 2.128 CV 1 OR { 433} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 14 and name HG3 )) OR { 433} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 14 and name HG2 )) ASSI { 435} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HG3 )) 2.600 0.900 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.76186E-02 ppm1 4.106 ppm2 2.876 CV 1 ASSI { 444} (( segid " " and resid 68 and name HA1 )) (( segid " " and resid 68 and name HA2 )) 2.000 0.500 0.500 peak 444 spectrum 1 weight 0.10000E+01 volume 0.75169E-02 ppm1 3.345 ppm2 3.936 CV 1 ASSI { 457} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 50 and name HN )) 2.400 2.400 3.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.72801E-02 ppm1 2.421 ppm2 7.371 CV 1 ASSI { 467} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 46 and name HB2 )) 2.800 2.800 3.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.71446E-02 ppm1 1.909 ppm2 2.604 CV 1 ASSI { 471} (( segid " " and resid 93 and name HA2 )) (( segid " " and resid 93 and name HN )) 2.300 0.700 0.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.70429E-02 ppm1 4.091 ppm2 8.571 CV 1 ASSI { 475} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HB3 )) 1.700 0.400 0.500 peak 475 spectrum 1 weight 0.10000E+01 volume 0.69752E-02 ppm1 2.609 ppm2 2.708 CV 1 ASSI { 476} (( segid " " and resid 10 and name HA )) (( segid " " and resid 17 and name HG3 )) 2.500 0.800 0.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.69752E-02 ppm1 4.175 ppm2 1.457 CV 1 OR { 476} (( segid " " and resid 10 and name HA )) (( segid " " and resid 17 and name HG2 )) ASSI { 480} (( segid " " and resid 92 and name HA )) (( segid " " and resid 63 and name HN )) 2.500 2.500 3.500 peak 480 spectrum 1 weight 0.10000E+01 volume 0.69413E-02 ppm1 4.467 ppm2 7.999 CV 1 ASSI { 481} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 85 and name HN )) 2.500 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.69413E-02 ppm1 2.093 ppm2 8.576 CV 1 ASSI { 482} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HD3 )) 2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.69074E-02 ppm1 1.440 ppm2 3.569 CV 1 ASSI { 488} (( segid " " and resid 70 and name HA )) (( segid " " and resid 65 and name HG12)) 2.400 2.400 3.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.68735E-02 ppm1 4.778 ppm2 0.915 CV 1 ASSI { 496} (( segid " " and resid 70 and name HA )) (( segid " " and resid 67 and name HG3 )) 1.800 1.800 4.200 peak 496 spectrum 1 weight 0.10000E+01 volume 0.67722E-02 ppm1 4.795 ppm2 0.584 CV 1 ASSI { 498} (( segid " " and resid 95 and name HG3 )) (( segid " " and resid 95 and name HN )) 2.500 0.800 0.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.67045E-02 ppm1 1.292 ppm2 8.471 CV 1 OR { 498} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 95 and name HN )) ASSI { 503} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HG2 )) 2.200 0.600 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.66028E-02 ppm1 1.758 ppm2 1.333 CV 1 OR { 503} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HG3 )) ASSI { 505} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HN )) 2.100 0.500 0.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.65689E-02 ppm1 1.583 ppm2 8.438 CV 1 ASSI { 508} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 77 and name HA )) 2.900 2.900 3.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.65351E-02 ppm1 3.809 ppm2 4.654 CV 1 OR { 508} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 77 and name HA )) ASSI { 512} (( segid " " and resid 38 and name HA1 )) (( segid " " and resid 38 and name HA2 )) 2.100 0.500 0.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.65012E-02 ppm1 3.556 ppm2 4.054 CV 1 ASSI { 519} (( segid " " and resid 21 and name HA )) (( segid " " and resid 28 and name HB3 )) 3.000 3.000 3.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.63656E-02 ppm1 4.711 ppm2 1.393 CV 1 OR { 519} (( segid " " and resid 21 and name HA )) (( segid " " and resid 28 and name HB2 )) ASSI { 527} (( segid " " and resid 82 and name HA2 )) (( segid " " and resid 82 and name HA1 )) 1.900 0.500 0.500 peak 527 spectrum 1 weight 0.10000E+01 volume 0.62979E-02 ppm1 4.198 ppm2 3.724 CV 1 ASSI { 528} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HB3 )) 2.000 0.500 0.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.62640E-02 ppm1 1.618 ppm2 1.758 CV 1 ASSI { 533} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HN )) 2.400 0.700 0.700 peak 533 spectrum 1 weight 0.10000E+01 volume 0.61627E-02 ppm1 1.665 ppm2 7.952 CV 1 ASSI { 534} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HN )) 2.200 0.600 0.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.61627E-02 ppm1 3.636 ppm2 8.782 CV 1 OR { 534} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HN )) ASSI { 540} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.200 0.600 0.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.60949E-02 ppm1 3.878 ppm2 1.136 CV 1 ASSI { 541} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 64 and name HB2 )) 2.400 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.60611E-02 ppm1 1.789 ppm2 0.847 CV 1 ASSI { 545} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HB2 )) 2.000 0.500 0.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.59933E-02 ppm1 2.003 ppm2 1.045 CV 1 ASSI { 551} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HN )) 2.500 2.500 3.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.59255E-02 ppm1 2.333 ppm2 8.601 CV 1 ASSI { 552} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HN )) 2.300 0.600 0.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.58916E-02 ppm1 2.587 ppm2 9.242 CV 1 OR { 552} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 29 and name HN )) ASSI { 553} (( segid " " and resid 44 and name HB )) (( segid " " and resid 81 and name HG )) 2.800 2.800 3.200 peak 553 spectrum 1 weight 0.10000E+01 volume 0.58578E-02 ppm1 2.208 ppm2 0.718 CV 1 ASSI { 557} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 69 and name HB2 )) 2.100 0.600 0.600 peak 557 spectrum 1 weight 0.10000E+01 volume 0.57900E-02 ppm1 0.557 ppm2 1.804 CV 1 OR { 557} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 69 and name HB3 )) ASSI { 567} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 61 and name HN )) 2.400 0.700 0.700 peak 567 spectrum 1 weight 0.10000E+01 volume 0.55871E-02 ppm1 1.883 ppm2 7.785 CV 1 OR { 567} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 61 and name HN )) ASSI { 570} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 36 and name HN )) 1.700 0.400 0.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.55532E-02 ppm1 2.043 ppm2 8.669 CV 1 ASSI { 577} (( segid " " and resid 7 and name HA )) (( segid " " and resid 16 and name HD3 )) 3.700 1.700 1.700 peak 577 spectrum 1 weight 0.10000E+01 volume 0.55193E-02 ppm1 4.343 ppm2 3.552 CV 1 ASSI { 578} (( segid " " and resid 3 and name HD2 )) (( segid " " and resid 87 and name HA )) 2.200 0.600 0.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.54854E-02 ppm1 1.617 ppm2 4.557 CV 1 OR { 578} (( segid " " and resid 3 and name HD3 )) (( segid " " and resid 87 and name HA )) ASSI { 589} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HD2 )) 2.100 0.500 0.500 peak 589 spectrum 1 weight 0.10000E+01 volume 0.53838E-02 ppm1 1.455 ppm2 3.166 CV 1 ASSI { 590} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 2.400 0.700 0.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.53838E-02 ppm1 1.657 ppm2 4.448 CV 1 ASSI { 592} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 59 and name HB2 )) 2.900 1.100 1.100 peak 592 spectrum 1 weight 0.10000E+01 volume 0.53499E-02 ppm1 3.177 ppm2 1.502 CV 1 ASSI { 604} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 34 and name HN )) 2.900 2.900 3.100 peak 604 spectrum 1 weight 0.10000E+01 volume 0.52143E-02 ppm1 2.219 ppm2 7.434 CV 1 OR { 604} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 34 and name HN )) ASSI { 609} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 2.500 0.800 0.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.51131E-02 ppm1 4.245 ppm2 3.807 CV 1 OR { 609} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB3 )) ASSI { 611} (( segid " " and resid 94 and name HG3 )) (( segid " " and resid 62 and name HA )) 2.600 2.600 3.400 peak 611 spectrum 1 weight 0.10000E+01 volume 0.51131E-02 ppm1 2.139 ppm2 3.832 CV 1 OR { 611} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 62 and name HA )) ASSI { 615} (( segid " " and resid 4 and name HA )) (( segid " " and resid 7 and name HN )) 2.800 2.800 3.200 peak 615 spectrum 1 weight 0.10000E+01 volume 0.50453E-02 ppm1 4.208 ppm2 8.150 CV 1 ASSI { 616} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HB3 )) 1.900 0.500 0.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.50114E-02 ppm1 2.577 ppm2 3.463 CV 1 ASSI { 625} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 60 and name HD2 )) 2.700 0.900 0.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.49098E-02 ppm1 1.644 ppm2 3.159 CV 1 ASSI { 631} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 67 and name HG3 )) 2.600 2.600 3.400 peak 631 spectrum 1 weight 0.10000E+01 volume 0.48759E-02 ppm1 2.133 ppm2 0.610 CV 1 ASSI { 635} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 60 and name HD2 )) 2.400 0.700 0.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.48081E-02 ppm1 1.842 ppm2 3.169 CV 1 OR { 635} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 60 and name HD2 )) ASSI { 637} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HB3 )) 2.000 0.500 0.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.48081E-02 ppm1 3.239 ppm2 3.329 CV 1 ASSI { 651} (( segid " " and resid 80 and name HA )) (( segid " " and resid 83 and name HB3 )) 2.700 2.700 3.300 peak 651 spectrum 1 weight 0.10000E+01 volume 0.46726E-02 ppm1 4.163 ppm2 1.432 CV 1 ASSI { 658} (( segid " " and resid 56 and name HA1 )) (( segid " " and resid 56 and name HA2 )) 2.200 0.600 0.600 peak 658 spectrum 1 weight 0.10000E+01 volume 0.46052E-02 ppm1 3.663 ppm2 4.069 CV 1 ASSI { 659} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HN )) 2.400 0.700 0.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.46052E-02 ppm1 4.442 ppm2 9.093 CV 1 ASSI { 660} (( segid " " and resid 54 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.800 2.800 3.200 peak 660 spectrum 1 weight 0.10000E+01 volume 0.46052E-02 ppm1 4.068 ppm2 1.073 CV 1 ASSI { 664} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 36 and name HN )) 2.100 0.500 0.500 peak 664 spectrum 1 weight 0.10000E+01 volume 0.45713E-02 ppm1 2.143 ppm2 8.652 CV 1 OR { 664} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 36 and name HN )) ASSI { 666} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB3 )) 2.400 0.700 0.700 peak 666 spectrum 1 weight 0.10000E+01 volume 0.45713E-02 ppm1 4.010 ppm2 3.786 CV 1 OR { 666} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB2 )) ASSI { 669} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 67 and name HD3 )) 2.300 0.700 0.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.45713E-02 ppm1 3.685 ppm2 1.262 CV 1 OR { 669} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 67 and name HD2 )) ASSI { 684} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 85 and name HN )) 3.100 3.100 2.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.44358E-02 ppm1 2.238 ppm2 8.583 CV 1 OR { 684} (( segid " " and resid 9 and name HG3 )) (( segid " " and resid 85 and name HN )) ASSI { 687} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 2.500 0.800 0.800 peak 687 spectrum 1 weight 0.10000E+01 volume 0.44019E-02 ppm1 3.706 ppm2 1.518 CV 1 OR { 687} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB3 )) ASSI { 694} (( segid " " and resid 34 and name HB )) (( segid " " and resid 35 and name HG2 )) 3.100 3.100 2.900 peak 694 spectrum 1 weight 0.10000E+01 volume 0.43680E-02 ppm1 4.067 ppm2 1.376 CV 1 OR { 694} (( segid " " and resid 34 and name HB )) (( segid " " and resid 35 and name HG3 )) ASSI { 697} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB3 )) 2.600 0.800 0.800 peak 697 spectrum 1 weight 0.10000E+01 volume 0.42663E-02 ppm1 4.285 ppm2 1.758 CV 1 ASSI { 709} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HB2 )) 2.200 0.600 0.600 peak 709 spectrum 1 weight 0.10000E+01 volume 0.41986E-02 ppm1 3.907 ppm2 3.458 CV 1 ASSI { 716} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HE3 )) 3.200 3.200 2.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.41647E-02 ppm1 4.288 ppm2 2.876 CV 1 OR { 716} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HE2 )) ASSI { 726} (( segid " " and resid 92 and name HA )) (( segid " " and resid 62 and name HA )) 3.100 3.100 2.900 peak 726 spectrum 1 weight 0.10000E+01 volume 0.40969E-02 ppm1 4.454 ppm2 3.769 CV 1 ASSI { 727} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 67 and name HN )) 2.800 1.000 1.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.40634E-02 ppm1 2.838 ppm2 9.015 CV 1 OR { 727} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 67 and name HN )) ASSI { 731} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 51 and name HA )) 2.900 2.900 3.100 peak 731 spectrum 1 weight 0.10000E+01 volume 0.40634E-02 ppm1 1.924 ppm2 3.177 CV 1 ASSI { 734} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 67 and name HD2 )) 2.800 2.800 3.200 peak 734 spectrum 1 weight 0.10000E+01 volume 0.40295E-02 ppm1 2.133 ppm2 1.254 CV 1 OR { 734} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 67 and name HD3 )) ASSI { 737} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HB3 )) 2.000 0.500 0.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.39957E-02 ppm1 1.656 ppm2 2.258 CV 1 ASSI { 740} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 47 and name HB2 )) 1.900 0.500 0.500 peak 740 spectrum 1 weight 0.10000E+01 volume 0.39957E-02 ppm1 2.133 ppm2 1.140 CV 1 ASSI { 760} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HB3 )) 1.800 0.400 0.400 peak 760 spectrum 1 weight 0.10000E+01 volume 0.38601E-02 ppm1 1.116 ppm2 1.349 CV 1 ASSI { 762} (( segid " " and resid 43 and name HA )) (( segid " " and resid 81 and name HG )) 2.300 2.300 3.700 peak 762 spectrum 1 weight 0.10000E+01 volume 0.38601E-02 ppm1 5.004 ppm2 0.668 CV 1 ASSI { 764} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 71 and name HB2 )) 1.900 1.900 4.100 peak 764 spectrum 1 weight 0.10000E+01 volume 0.38262E-02 ppm1 1.618 ppm2 1.260 CV 1 ASSI { 765} (( segid " " and resid 51 and name HB )) (( segid " " and resid 91 and name HG )) 3.200 3.200 2.800 peak 765 spectrum 1 weight 0.10000E+01 volume 0.37923E-02 ppm1 2.198 ppm2 0.569 CV 1 ASSI { 778} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 45 and name HN )) 2.500 0.800 0.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.37247E-02 ppm1 2.208 ppm2 9.141 CV 1 OR { 778} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HN )) ASSI { 779} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB3 )) 2.300 0.700 0.700 peak 779 spectrum 1 weight 0.10000E+01 volume 0.37247E-02 ppm1 4.250 ppm2 2.641 CV 1 OR { 779} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) ASSI { 783} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HB3 )) 1.900 0.400 0.400 peak 783 spectrum 1 weight 0.10000E+01 volume 0.37247E-02 ppm1 1.497 ppm2 1.798 CV 1 ASSI { 795} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 35 and name HB2 )) 2.000 2.000 4.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.36569E-02 ppm1 2.820 ppm2 1.647 CV 1 OR { 795} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 35 and name HB2 )) ASSI { 798} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 60 and name HD2 )) 2.000 0.500 0.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.36569E-02 ppm1 3.581 ppm2 3.181 CV 1 ASSI { 803} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB3 )) 2.500 0.800 0.800 peak 803 spectrum 1 weight 0.10000E+01 volume 0.36230E-02 ppm1 4.362 ppm2 1.685 CV 1 ASSI { 808} (( segid " " and resid 34 and name HB )) (( segid " " and resid 42 and name HB3 )) 2.700 0.900 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.35892E-02 ppm1 4.064 ppm2 1.612 CV 1 OR { 808} (( segid " " and resid 34 and name HB )) (( segid " " and resid 42 and name HB2 )) ASSI { 810} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 51 and name HN )) 3.200 1.300 1.300 peak 810 spectrum 1 weight 0.10000E+01 volume 0.35554E-02 ppm1 0.879 ppm2 8.767 CV 1 ASSI { 814} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HN )) 2.300 0.600 0.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.35554E-02 ppm1 1.486 ppm2 8.260 CV 1 ASSI { 817} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB )) 2.400 0.700 0.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.34876E-02 ppm1 4.452 ppm2 3.991 CV 1 ASSI { 818} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB3 )) 2.500 0.800 0.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.34876E-02 ppm1 4.169 ppm2 2.007 CV 1 ASSI { 826} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 50 and name HN )) 2.200 0.600 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.34199E-02 ppm1 2.136 ppm2 7.361 CV 1 ASSI { 832} (( segid " " and resid 38 and name HA1 )) (( segid " " and resid 40 and name HB3 )) 3.200 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.33860E-02 ppm1 3.574 ppm2 3.836 CV 1 OR { 832} (( segid " " and resid 38 and name HA1 )) (( segid " " and resid 40 and name HB2 )) ASSI { 837} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HG )) 3.100 1.200 1.200 peak 837 spectrum 1 weight 0.10000E+01 volume 0.33691E-02 ppm1 5.165 ppm2 0.577 CV 1 ASSI { 838} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 22 and name HB )) 2.600 0.900 0.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.33589E-02 ppm1 2.612 ppm2 1.832 CV 1 OR { 838} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 22 and name HB )) ASSI { 840} (( segid " " and resid 48 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.100 0.500 0.500 peak 840 spectrum 1 weight 0.10000E+01 volume 0.33555E-02 ppm1 3.934 ppm2 1.259 CV 1 ASSI { 847} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 28 and name HN )) 3.200 1.300 1.300 peak 847 spectrum 1 weight 0.10000E+01 volume 0.33149E-02 ppm1 2.169 ppm2 8.182 CV 1 ASSI { 849} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 67 and name HG3 )) 2.600 0.800 0.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.32946E-02 ppm1 2.845 ppm2 0.631 CV 1 OR { 849} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 67 and name HG3 )) ASSI { 850} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 86 and name HN )) 3.900 1.900 1.900 peak 850 spectrum 1 weight 0.10000E+01 volume 0.32879E-02 ppm1 1.938 ppm2 9.281 CV 1 OR { 850} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 86 and name HN )) ASSI { 854} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 854 spectrum 1 weight 0.10000E+01 volume 0.32709E-02 ppm1 2.082 ppm2 2.346 CV 1 ASSI { 868} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 64 and name HB2 )) 3.300 3.300 2.700 peak 868 spectrum 1 weight 0.10000E+01 volume 0.32066E-02 ppm1 1.493 ppm2 0.876 CV 1 ASSI { 869} (( segid " " and resid 13 and name HG3 )) (( segid " " and resid 13 and name HG2 )) 2.300 0.600 0.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.31998E-02 ppm1 2.879 ppm2 2.265 CV 1 ASSI { 870} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HB2 )) 1.800 0.400 0.400 peak 870 spectrum 1 weight 0.10000E+01 volume 0.31998E-02 ppm1 1.574 ppm2 1.090 CV 1 ASSI { 878} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 64 and name HB2 )) 1.700 0.300 0.500 peak 878 spectrum 1 weight 0.10000E+01 volume 0.31660E-02 ppm1 1.818 ppm2 0.876 CV 1 ASSI { 886} (( segid " " and resid 34 and name HB )) (( segid " " and resid 35 and name HD2 )) 3.200 1.200 1.200 peak 886 spectrum 1 weight 0.10000E+01 volume 0.31287E-02 ppm1 4.075 ppm2 3.573 CV 1 OR { 886} (( segid " " and resid 34 and name HB )) (( segid " " and resid 35 and name HD3 )) ASSI { 889} (( segid " " and resid 51 and name HA )) (( segid " " and resid 91 and name HG )) 2.800 2.800 3.200 peak 889 spectrum 1 weight 0.10000E+01 volume 0.31219E-02 ppm1 3.146 ppm2 0.546 CV 1 ASSI { 891} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG3 )) 2.800 1.000 1.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.31186E-02 ppm1 4.405 ppm2 2.135 CV 1 OR { 891} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG2 )) ASSI { 895} (( segid " " and resid 33 and name HA )) (( segid " " and resid 50 and name HG )) 2.800 1.000 1.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.30881E-02 ppm1 3.795 ppm2 0.947 CV 1 ASSI { 896} (( segid " " and resid 18 and name HG )) (( segid " " and resid 18 and name HB2 )) 2.800 1.000 1.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.30678E-02 ppm1 0.400 ppm2 1.158 CV 1 ASSI { 899} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HG2 )) 2.300 0.700 0.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 1.542 ppm2 0.097 CV 1 ASSI { 909} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB3 )) 3.000 1.100 1.100 peak 909 spectrum 1 weight 0.10000E+01 volume 0.30373E-02 ppm1 3.706 ppm2 3.899 CV 1 ASSI { 911} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HG3 )) 2.500 0.800 0.800 peak 911 spectrum 1 weight 0.10000E+01 volume 0.30339E-02 ppm1 2.002 ppm2 1.657 CV 1 ASSI { 916} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.300 0.700 0.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.30170E-02 ppm1 3.798 ppm2 1.485 CV 1 ASSI { 930} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 28 and name HB2 )) 2.900 1.000 1.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.29425E-02 ppm1 2.876 ppm2 1.443 CV 1 OR { 930} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 28 and name HB3 )) OR { 930} (( segid " " and resid 28 and name HD3 )) (( segid " " and resid 28 and name HB2 )) OR { 930} (( segid " " and resid 28 and name HD3 )) (( segid " " and resid 28 and name HB3 )) ASSI { 931} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 34 and name HA )) 2.400 0.700 0.700 peak 931 spectrum 1 weight 0.10000E+01 volume 0.29357E-02 ppm1 3.576 ppm2 4.746 CV 1 OR { 931} (( segid " " and resid 35 and name HD3 )) (( segid " " and resid 34 and name HA )) ASSI { 937} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.600 0.800 0.800 peak 937 spectrum 1 weight 0.10000E+01 volume 0.29120E-02 ppm1 4.442 ppm2 1.970 CV 1 OR { 937} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB3 )) ASSI { 944} (( segid " " and resid 62 and name HA )) (( segid " " and resid 91 and name HG )) 3.200 1.300 1.300 peak 944 spectrum 1 weight 0.10000E+01 volume 0.28951E-02 ppm1 3.799 ppm2 0.559 CV 1 ASSI { 949} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 50 and name HN )) 3.100 3.100 2.900 peak 949 spectrum 1 weight 0.10000E+01 volume 0.28713E-02 ppm1 2.750 ppm2 7.365 CV 1 OR { 949} (( segid " " and resid 67 and name HE3 )) (( segid " " and resid 50 and name HN )) ASSI { 950} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HN )) 2.500 0.800 0.800 peak 950 spectrum 1 weight 0.10000E+01 volume 0.28578E-02 ppm1 4.270 ppm2 7.059 CV 1 ASSI { 975} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HN )) 2.600 0.800 0.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.27562E-02 ppm1 2.850 ppm2 8.899 CV 1 OR { 975} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 66 and name HN )) ASSI { 977} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HD2 )) 2.500 0.800 0.800 peak 977 spectrum 1 weight 0.10000E+01 volume 0.27494E-02 ppm1 4.040 ppm2 3.519 CV 1 OR { 977} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HD3 )) ASSI { 978} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB3 )) 2.500 0.800 0.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.27461E-02 ppm1 4.297 ppm2 2.266 CV 1 ASSI { 979} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 35 and name HA )) 3.200 3.200 2.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.27427E-02 ppm1 3.784 ppm2 4.445 CV 1 ASSI { 984} (( segid " " and resid 68 and name HA1 )) (( segid " " and resid 68 and name HN )) 2.600 0.800 0.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.27359E-02 ppm1 3.342 ppm2 8.025 CV 1 ASSI { 989} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 2.400 0.700 0.700 peak 989 spectrum 1 weight 0.10000E+01 volume 0.27292E-02 ppm1 4.252 ppm2 7.201 CV 1 ASSI { 991} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 95 and name HE3 )) 3.000 1.100 1.100 peak 991 spectrum 1 weight 0.10000E+01 volume 0.27224E-02 ppm1 2.190 ppm2 2.846 CV 1 OR { 991} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 95 and name HE2 )) OR { 991} (( segid " " and resid 27 and name HG3 )) (( segid " " and resid 95 and name HE3 )) ASSI { 997} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 88 and name HG3 )) 2.700 0.900 0.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.27020E-02 ppm1 3.095 ppm2 1.666 CV 1 OR { 997} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HG3 )) OR { 997} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HB3 )) OR { 997} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 88 and name HB3 )) ASSI { 1003} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 81 and name HN )) 3.000 3.000 3.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.26784E-02 ppm1 1.726 ppm2 7.039 CV 1 ASSI { 1007} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) 2.600 0.900 0.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.26682E-02 ppm1 2.003 ppm2 3.791 CV 1 OR { 1007} (( segid " " and resid 53 and name HB3 )) (( segid " " and resid 53 and name HA )) ASSI { 1009} (( segid " " and resid 62 and name HG3 )) (( segid " " and resid 91 and name HG )) 3.200 1.300 1.300 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.26546E-02 ppm1 2.502 ppm2 0.573 CV 1 OR { 1009} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 91 and name HG )) ASSI { 1010} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HG )) 2.700 0.900 0.900 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.26546E-02 ppm1 1.809 ppm2 0.922 CV 1 ASSI { 1027} (( segid " " and resid 96 and name HA )) (( segid " " and resid 97 and name HN )) 2.700 0.900 0.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.25971E-02 ppm1 4.280 ppm2 7.855 CV 1 ASSI { 1028} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HG12)) 2.500 0.800 0.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.25971E-02 ppm1 4.451 ppm2 1.134 CV 1 ASSI { 1033} (( segid " " and resid 44 and name HA )) (( segid " " and resid 81 and name HG )) 2.900 1.100 1.100 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.25869E-02 ppm1 3.238 ppm2 0.718 CV 1 ASSI { 1037} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 41 and name HN )) 3.000 1.100 1.100 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.25666E-02 ppm1 3.800 ppm2 7.519 CV 1 OR { 1037} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 41 and name HN )) ASSI { 1041} (( segid " " and resid 48 and name HA )) (( segid " " and resid 71 and name HA )) 2.900 1.000 1.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.25565E-02 ppm1 3.929 ppm2 4.353 CV 1 ASSI { 1044} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HD3 )) 2.600 0.800 0.800 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.25531E-02 ppm1 1.438 ppm2 2.978 CV 1 OR { 1044} (( segid " " and resid 17 and name HG3 )) (( segid " " and resid 17 and name HD2 )) OR { 1044} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HD2 )) OR { 1044} (( segid " " and resid 17 and name HG3 )) (( segid " " and resid 17 and name HD3 )) ASSI { 1045} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 24 and name HB2 )) 2.000 0.500 0.500 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.25497E-02 ppm1 3.263 ppm2 2.742 CV 1 ASSI { 1052} (( segid " " and resid 59 and name HA )) (( segid " " and resid 72 and name HA )) 3.000 3.000 3.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.25327E-02 ppm1 3.695 ppm2 4.241 CV 1 ASSI { 1054} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 30 and name HA )) 2.700 0.900 0.900 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.25293E-02 ppm1 2.418 ppm2 4.878 CV 1 OR { 1054} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) ASSI { 1065} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HG3 )) 2.600 0.900 0.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.24989E-02 ppm1 1.288 ppm2 0.607 CV 1 OR { 1065} (( segid " " and resid 67 and name HD3 )) (( segid " " and resid 67 and name HG3 )) ASSI { 1068} (( segid " " and resid 15 and name HB )) (( segid " " and resid 32 and name HG )) 2.800 1.000 1.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.24921E-02 ppm1 3.835 ppm2 1.223 CV 1 ASSI { 1069} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB2 )) 2.600 0.800 0.800 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.24921E-02 ppm1 5.099 ppm2 2.848 CV 1 OR { 1069} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB3 )) ASSI { 1070} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HN )) 3.100 1.200 1.200 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.24921E-02 ppm1 1.299 ppm2 8.243 CV 1 ASSI { 1071} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.800 1.000 1.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.24921E-02 ppm1 4.348 ppm2 1.727 CV 1 ASSI { 1094} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HN )) 3.200 1.300 1.300 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.24143E-02 ppm1 2.092 ppm2 8.698 CV 1 ASSI { 1095} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 65 and name HA )) 3.200 3.200 2.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.24109E-02 ppm1 0.550 ppm2 4.705 CV 1 ASSI { 1097} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HG )) 2.400 0.700 0.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.24007E-02 ppm1 1.577 ppm2 0.506 CV 1 ASSI { 1098} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 69 and name HN )) 3.400 1.500 1.500 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.23973E-02 ppm1 1.554 ppm2 7.765 CV 1 ASSI { 1104} (( segid " " and resid 40 and name HA )) (( segid " " and resid 16 and name HG3 )) 2.700 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.23905E-02 ppm1 4.249 ppm2 1.916 CV 1 OR { 1104} (( segid " " and resid 40 and name HA )) (( segid " " and resid 16 and name HG2 )) ASSI { 1106} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HG2 )) 3.700 1.700 1.700 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.23804E-02 ppm1 4.035 ppm2 1.866 CV 1 OR { 1106} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HG3 )) ASSI { 1109} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 85 and name HA )) 2.300 0.600 0.600 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.23736E-02 ppm1 2.621 ppm2 4.756 CV 1 OR { 1109} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HA )) ASSI { 1110} (( segid " " and resid 57 and name HB )) (( segid " " and resid 57 and name HN )) 2.700 0.900 0.900 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.23702E-02 ppm1 1.527 ppm2 7.528 CV 1 ASSI { 1111} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HA )) 2.600 0.800 0.800 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.23668E-02 ppm1 2.828 ppm2 4.813 CV 1 OR { 1111} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 39 and name HA )) ASSI { 1115} (( segid " " and resid 93 and name HA2 )) (( segid " " and resid 91 and name HB2 )) 2.100 2.100 3.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.23431E-02 ppm1 4.096 ppm2 0.831 CV 1 ASSI { 1119} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HA )) 2.600 0.800 0.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.23126E-02 ppm1 3.632 ppm2 5.125 CV 1 OR { 1119} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HA )) ASSI { 1120} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG3 )) 2.700 0.900 0.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.23093E-02 ppm1 4.145 ppm2 2.362 CV 1 OR { 1120} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG2 )) ASSI { 1123} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 69 and name HG3 )) 2.500 0.800 0.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.22957E-02 ppm1 1.849 ppm2 1.340 CV 1 OR { 1123} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 69 and name HG2 )) ASSI { 1127} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.700 0.900 0.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.22754E-02 ppm1 3.706 ppm2 3.464 CV 1 ASSI { 1130} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB3 )) 2.600 0.900 0.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.22652E-02 ppm1 3.978 ppm2 1.656 CV 1 ASSI { 1133} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB2 )) 3.100 1.200 1.200 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.22517E-02 ppm1 4.168 ppm2 1.044 CV 1 ASSI { 1136} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 32 and name HB2 )) 3.000 1.100 1.100 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.22416E-02 ppm1 3.647 ppm2 1.258 CV 1 OR { 1136} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 32 and name HB2 )) ASSI { 1138} (( segid " " and resid 22 and name HA )) (( segid " " and resid 31 and name HB2 )) 3.600 1.600 1.600 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.22246E-02 ppm1 5.263 ppm2 1.051 CV 1 ASSI { 1139} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 87 and name HB2 )) 3.400 1.400 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.22178E-02 ppm1 2.891 ppm2 3.302 CV 1 OR { 1139} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 87 and name HB2 )) ASSI { 1142} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 18 and name HB3 )) 3.900 1.900 1.900 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.22077E-02 ppm1 2.442 ppm2 1.349 CV 1 OR { 1142} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 18 and name HB3 )) ASSI { 1145} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG3 )) 3.100 1.200 1.200 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.22009E-02 ppm1 3.438 ppm2 0.599 CV 1 ASSI { 1150} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 2.800 1.000 1.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.21874E-02 ppm1 4.405 ppm2 1.814 CV 1 ASSI { 1152} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 2.700 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.21874E-02 ppm1 2.615 ppm2 4.484 CV 1 OR { 1152} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 29 and name HA )) ASSI { 1154} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HN )) 4.300 2.300 1.700 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.21806E-02 ppm1 3.966 ppm2 8.446 CV 1 ASSI { 1156} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB3 )) 2.500 0.800 0.800 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.21772E-02 ppm1 4.995 ppm2 1.971 CV 1 OR { 1156} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB2 )) ASSI { 1160} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HN )) 2.800 1.000 1.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.21704E-02 ppm1 4.030 ppm2 7.561 CV 1 ASSI { 1169} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB3 )) 2.600 0.800 0.800 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.21298E-02 ppm1 3.438 ppm2 1.537 CV 1 ASSI { 1172} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HN )) 2.600 0.800 0.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.21197E-02 ppm1 5.125 ppm2 8.785 CV 1 ASSI { 1174} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.21163E-02 ppm1 1.629 ppm2 4.293 CV 1 ASSI { 1175} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) 2.900 1.100 1.100 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.21163E-02 ppm1 2.769 ppm2 4.568 CV 1 ASSI { 1185} (( segid " " and resid 55 and name HB )) (( segid " " and resid 55 and name HA )) 2.900 1.000 1.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.20959E-02 ppm1 3.692 ppm2 4.066 CV 1 ASSI { 1191} (( segid " " and resid 67 and name HD3 )) (( segid " " and resid 67 and name HE2 )) 2.600 0.900 0.900 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.20858E-02 ppm1 1.288 ppm2 2.761 CV 1 OR { 1191} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HE3 )) OR { 1191} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HE2 )) OR { 1191} (( segid " " and resid 67 and name HD3 )) (( segid " " and resid 67 and name HE3 )) ASSI { 1211} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 81 and name HG )) 2.500 0.800 0.800 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.20215E-02 ppm1 1.762 ppm2 0.710 CV 1 ASSI { 1216} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD3 )) 2.600 0.900 0.900 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.19978E-02 ppm1 0.106 ppm2 1.293 CV 1 OR { 1216} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD2 )) ASSI { 1220} (( segid " " and resid 53 and name HG3 )) (( segid " " and resid 53 and name HB3 )) 2.800 1.000 1.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.19910E-02 ppm1 2.310 ppm2 2.002 CV 1 OR { 1220} (( segid " " and resid 53 and name HG3 )) (( segid " " and resid 53 and name HB2 )) ASSI { 1226} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 34 and name HN )) 3.300 1.300 1.300 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.19741E-02 ppm1 1.760 ppm2 7.459 CV 1 OR { 1226} (( segid " " and resid 42 and name HG2 )) (( segid " " and resid 34 and name HN )) ASSI { 1229} (( segid " " and resid 79 and name HA )) (( segid " " and resid 81 and name HN )) 2.800 1.000 1.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.19707E-02 ppm1 4.015 ppm2 7.016 CV 1 ASSI { 1231} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HD3 )) 2.200 0.600 0.600 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.19673E-02 ppm1 4.154 ppm2 3.533 CV 1 ASSI { 1235} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB3 )) 2.700 0.900 0.900 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.19605E-02 ppm1 3.841 ppm2 1.433 CV 1 ASSI { 1241} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) 2.800 1.000 1.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.19504E-02 ppm1 3.840 ppm2 7.384 CV 1 ASSI { 1260} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 79 and name HN )) 3.500 3.500 2.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.19165E-02 ppm1 2.233 ppm2 9.037 CV 1 OR { 1260} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 79 and name HN )) ASSI { 1261} (( segid " " and resid 34 and name HB )) (( segid " " and resid 34 and name HA )) 2.700 0.900 0.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.19165E-02 ppm1 4.075 ppm2 4.736 CV 1 ASSI { 1262} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HG2 )) 3.500 1.600 1.600 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.19131E-02 ppm1 3.911 ppm2 2.376 CV 1 ASSI { 1269} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HG2 )) 2.600 0.900 0.900 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.19030E-02 ppm1 1.044 ppm2 1.445 CV 1 ASSI { 1272} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB3 )) 2.400 0.700 0.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.18996E-02 ppm1 4.101 ppm2 1.797 CV 1 ASSI { 1275} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 88 and name HA )) 3.100 1.200 1.200 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.18962E-02 ppm1 1.632 ppm2 5.449 CV 1 ASSI { 1277} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HG )) 2.400 0.700 0.700 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.18928E-02 ppm1 1.089 ppm2 0.496 CV 1 ASSI { 1290} (( segid " " and resid 81 and name HG )) (( segid " " and resid 81 and name HN )) 3.800 1.800 1.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.18792E-02 ppm1 0.717 ppm2 7.040 CV 1 ASSI { 1296} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB )) 2.800 0.900 0.900 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.18725E-02 ppm1 3.934 ppm2 2.188 CV 1 ASSI { 1297} (( segid " " and resid 18 and name HG )) (( segid " " and resid 18 and name HB3 )) 2.600 0.800 0.800 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.18691E-02 ppm1 0.399 ppm2 1.370 CV 1 ASSI { 1299} (( segid " " and resid 20 and name HB )) (( segid " " and resid 20 and name HN )) 2.800 1.000 1.000 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.18657E-02 ppm1 1.565 ppm2 8.740 CV 1 ASSI { 1302} (( segid " " and resid 44 and name HA )) (( segid " " and resid 78 and name HG )) 2.900 1.100 1.100 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.18623E-02 ppm1 3.238 ppm2 1.191 CV 1 ASSI { 1305} (( segid " " and resid 33 and name HA )) (( segid " " and resid 50 and name HN )) 3.700 3.700 2.300 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.18522E-02 ppm1 3.793 ppm2 7.403 CV 1 ASSI { 1321} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HA )) 2.900 1.100 1.100 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.18183E-02 ppm1 1.388 ppm2 3.729 CV 1 ASSI { 1326} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB3 )) 2.700 0.900 0.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.18149E-02 ppm1 3.877 ppm2 2.143 CV 1 ASSI { 1327} (( segid " " and resid 19 and name HA )) (( segid " " and resid 31 and name HN )) 3.200 1.300 1.300 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.18082E-02 ppm1 5.124 ppm2 8.645 CV 1 ASSI { 1329} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 26 and name HA )) 3.000 1.100 1.100 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.18014E-02 ppm1 2.844 ppm2 4.566 CV 1 ASSI { 1330} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 42 and name HA )) 2.600 0.800 0.800 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.18014E-02 ppm1 1.588 ppm2 4.661 CV 1 OR { 1330} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HA )) ASSI { 1334} (( segid " " and resid 19 and name HA )) (( segid " " and resid 32 and name HA )) 2.600 0.900 0.900 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.17980E-02 ppm1 5.126 ppm2 4.676 CV 1 ASSI { 1342} (( segid " " and resid 4 and name HB )) (( segid " " and resid 5 and name HN )) 3.000 1.100 1.100 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.17878E-02 ppm1 4.116 ppm2 8.386 CV 1 ASSI { 1347} (( segid " " and resid 13 and name HG3 )) (( segid " " and resid 13 and name HB3 )) 3.200 1.200 1.200 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 2.878 ppm2 1.995 CV 1 ASSI { 1348} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HG13)) 2.700 0.900 0.900 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.17810E-02 ppm1 1.697 ppm2 1.338 CV 1 ASSI { 1354} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.500 0.800 0.800 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.17709E-02 ppm1 4.410 ppm2 1.309 CV 1 ASSI { 1363} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 87 and name HA )) 2.900 1.000 1.000 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.17574E-02 ppm1 2.871 ppm2 4.617 CV 1 OR { 1363} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 87 and name HA )) ASSI { 1367} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.17472E-02 ppm1 2.501 ppm2 7.120 CV 1 OR { 1367} (( segid " " and resid 62 and name HG3 )) (( segid " " and resid 62 and name HN )) ASSI { 1368} (( segid " " and resid 16 and name HD3 )) (( segid " " and resid 32 and name HG )) 3.500 3.500 2.500 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.17472E-02 ppm1 3.530 ppm2 1.219 CV 1 ASSI { 1372} (( segid " " and resid 21 and name HG13)) (( segid " " and resid 3 and name HE2 )) 2.900 1.100 1.100 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.17404E-02 ppm1 1.296 ppm2 2.901 CV 1 OR { 1372} (( segid " " and resid 21 and name HG13)) (( segid " " and resid 3 and name HE3 )) ASSI { 1374} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG3 )) 2.600 0.800 0.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.17370E-02 ppm1 1.073 ppm2 0.605 CV 1 ASSI { 1375} (( segid " " and resid 3 and name HG3 )) (( segid " " and resid 85 and name HN )) 2.900 1.100 1.100 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.17370E-02 ppm1 1.315 ppm2 8.594 CV 1 OR { 1375} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 85 and name HN )) ASSI { 1384} (( segid " " and resid 23 and name HB )) (( segid " " and resid 21 and name HA )) 3.300 3.300 2.700 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.17100E-02 ppm1 4.193 ppm2 4.665 CV 1 ASSI { 1387} (( segid " " and resid 86 and name HA2 )) (( segid " " and resid 20 and name HA )) 2.700 0.900 0.900 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.17066E-02 ppm1 4.060 ppm2 4.562 CV 1 ASSI { 1392} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HN )) 3.600 1.600 1.600 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.16964E-02 ppm1 2.034 ppm2 9.074 CV 1 ASSI { 1393} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HG3 )) 3.400 1.500 1.500 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.16964E-02 ppm1 1.042 ppm2 1.654 CV 1 ASSI { 1399} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 27 and name HG2 )) 3.200 1.300 1.300 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.16896E-02 ppm1 3.260 ppm2 2.220 CV 1 OR { 1399} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 27 and name HG3 )) ASSI { 1400} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 58 and name HA )) 2.900 1.100 1.100 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.16896E-02 ppm1 1.808 ppm2 4.291 CV 1 OR { 1400} (( segid " " and resid 52 and name HG3 )) (( segid " " and resid 58 and name HA )) ASSI { 1403} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 3 and name HD3 )) 2.800 1.000 1.000 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.16896E-02 ppm1 2.799 ppm2 1.629 CV 1 OR { 1403} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 3 and name HD2 )) OR { 1403} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 3 and name HD3 )) OR { 1403} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 3 and name HD2 )) OR { 1403} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 3 and name HB2 )) OR { 1403} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 3 and name HB2 )) OR { 1403} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 3 and name HB3 )) ASSI { 1404} (( segid " " and resid 13 and name HG3 )) (( segid " " and resid 13 and name HB2 )) 2.800 1.000 1.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.16862E-02 ppm1 2.880 ppm2 1.785 CV 1 ASSI { 1409} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 88 and name HN )) 2.700 0.900 0.900 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.16795E-02 ppm1 3.355 ppm2 8.232 CV 1 ASSI { 1411} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HA )) 3.100 1.200 1.200 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.16761E-02 ppm1 1.484 ppm2 4.653 CV 1 ASSI { 1412} (( segid " " and resid 53 and name HB3 )) (( segid " " and resid 50 and name HA )) 3.100 1.200 1.200 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.16727E-02 ppm1 2.003 ppm2 4.125 CV 1 OR { 1412} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 50 and name HA )) ASSI { 1414} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HA )) 3.500 1.600 1.600 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.16693E-02 ppm1 1.941 ppm2 4.385 CV 1 OR { 1414} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 16 and name HA )) ASSI { 1417} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HA )) 2.700 0.900 0.900 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 2.079 ppm2 4.152 CV 1 ASSI { 1419} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB )) 2.800 1.000 1.000 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.16558E-02 ppm1 5.262 ppm2 4.197 CV 1 ASSI { 1421} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 59 and name HN )) 2.700 0.900 0.900 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.16524E-02 ppm1 3.583 ppm2 8.483 CV 1 ASSI { 1448} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HN )) 2.800 1.000 1.000 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.16050E-02 ppm1 4.407 ppm2 8.685 CV 1 ASSI { 1464} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 88 and name HD3 )) 3.000 3.000 3.000 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.15813E-02 ppm1 1.540 ppm2 3.098 CV 1 OR { 1464} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 88 and name HD2 )) ASSI { 1470} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HG3 )) 3.200 1.300 1.300 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.15677E-02 ppm1 4.997 ppm2 2.447 CV 1 ASSI { 1473} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) 3.100 1.200 1.200 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.15610E-02 ppm1 3.438 ppm2 1.078 CV 1 ASSI { 1474} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HG2 )) 3.500 1.500 1.500 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.15610E-02 ppm1 4.447 ppm2 2.368 CV 1 OR { 1474} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HG3 )) ASSI { 1477} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) 3.300 1.400 1.400 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.15576E-02 ppm1 1.711 ppm2 4.661 CV 1 ASSI { 1479} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 31 and name HB2 )) 3.100 1.200 1.200 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.15508E-02 ppm1 2.611 ppm2 1.069 CV 1 OR { 1479} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 31 and name HB2 )) ASSI { 1482} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HA )) 2.900 1.000 1.000 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.15440E-02 ppm1 3.459 ppm2 4.682 CV 1 ASSI { 1492} (( segid " " and resid 65 and name HB )) (( segid " " and resid 65 and name HG13)) 2.800 1.000 1.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.15203E-02 ppm1 1.676 ppm2 1.281 CV 1 ASSI { 1496} (( segid " " and resid 78 and name HA )) (( segid " " and resid 81 and name HG )) 3.100 1.200 1.200 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.15068E-02 ppm1 3.723 ppm2 0.705 CV 1 ASSI { 1500} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.14966E-02 ppm1 1.924 ppm2 3.784 CV 1 ASSI { 1502} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 84 and name HA )) 4.100 2.200 1.900 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.14966E-02 ppm1 1.896 ppm2 4.432 CV 1 OR { 1502} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 84 and name HA )) ASSI { 1518} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.14797E-02 ppm1 2.147 ppm2 3.903 CV 1 ASSI { 1521} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG3 )) 3.200 1.300 1.300 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 4.169 ppm2 1.647 CV 1 ASSI { 1525} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HN )) 2.600 0.900 0.900 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.14695E-02 ppm1 1.645 ppm2 8.811 CV 1 ASSI { 1526} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HA )) 2.700 0.900 0.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.14695E-02 ppm1 3.237 ppm2 4.595 CV 1 ASSI { 1531} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 85 and name HB2 )) 3.100 1.200 1.200 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 2.252 ppm2 2.649 CV 1 OR { 1531} (( segid " " and resid 9 and name HG3 )) (( segid " " and resid 85 and name HB2 )) OR { 1531} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 85 and name HB3 )) OR { 1531} (( segid " " and resid 9 and name HG3 )) (( segid " " and resid 85 and name HB3 )) ASSI { 1538} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG2 )) 3.300 1.400 1.400 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.14458E-02 ppm1 1.895 ppm2 2.346 CV 1 ASSI { 1539} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HN )) 2.600 0.800 0.800 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.14424E-02 ppm1 5.155 ppm2 8.807 CV 1 ASSI { 1541} (( segid " " and resid 86 and name HA2 )) (( segid " " and resid 85 and name HB2 )) 3.000 3.000 3.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.14391E-02 ppm1 4.063 ppm2 2.627 CV 1 ASSI { 1545} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 40 and name HN )) 3.000 1.100 1.100 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.14323E-02 ppm1 3.806 ppm2 8.457 CV 1 OR { 1545} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HN )) ASSI { 1549} (( segid " " and resid 23 and name HA )) (( segid " " and resid 28 and name HA )) 2.800 1.000 1.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.14221E-02 ppm1 5.261 ppm2 4.819 CV 1 ASSI { 1552} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 60 and name HD3 )) 2.700 0.900 0.900 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.14188E-02 ppm1 1.647 ppm2 3.577 CV 1 ASSI { 1556} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HN )) 2.800 1.000 1.000 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.14154E-02 ppm1 4.808 ppm2 8.210 CV 1 ASSI { 1558} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HA )) 2.900 1.000 1.000 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.14120E-02 ppm1 1.117 ppm2 4.706 CV 1 ASSI { 1561} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) 2.700 0.900 0.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.14120E-02 ppm1 3.718 ppm2 8.232 CV 1 ASSI { 1563} (( segid " " and resid 57 and name HB )) (( segid " " and resid 57 and name HA )) 2.900 1.000 1.000 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.14052E-02 ppm1 1.529 ppm2 4.053 CV 1 ASSI { 1569} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HA )) 2.600 0.800 0.800 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.13984E-02 ppm1 1.299 ppm2 4.662 CV 1 ASSI { 1574} (( segid " " and resid 17 and name HG3 )) (( segid " " and resid 17 and name HA )) 2.700 0.900 0.900 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.13883E-02 ppm1 1.439 ppm2 4.755 CV 1 OR { 1574} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HA )) ASSI { 1575} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) 3.200 1.300 1.300 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.13883E-02 ppm1 1.072 ppm2 0.107 CV 1 ASSI { 1577} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB2 )) 2.900 1.000 1.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.13849E-02 ppm1 4.101 ppm2 1.495 CV 1 ASSI { 1587} (( segid " " and resid 68 and name HA1 )) (( segid " " and resid 67 and name HG3 )) 3.600 3.600 2.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.13781E-02 ppm1 3.341 ppm2 0.577 CV 1 ASSI { 1592} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HA )) 3.400 1.400 1.400 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.13646E-02 ppm1 3.779 ppm2 4.356 CV 1 ASSI { 1597} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 38 and name HN )) 3.600 1.600 1.600 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.13578E-02 ppm1 2.829 ppm2 8.532 CV 1 OR { 1597} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 38 and name HN )) ASSI { 1598} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 38 and name HA1 )) 3.400 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.13544E-02 ppm1 2.050 ppm2 3.527 CV 1 ASSI { 1600} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HA )) 2.900 1.100 1.100 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.13544E-02 ppm1 1.565 ppm2 4.758 CV 1 ASSI { 1606} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB2 )) 2.900 1.100 1.100 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.13476E-02 ppm1 4.523 ppm2 1.703 CV 1 ASSI { 1607} (( segid " " and resid 21 and name HB )) (( segid " " and resid 20 and name HA )) 3.800 1.800 1.800 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.13476E-02 ppm1 1.699 ppm2 4.532 CV 1 ASSI { 1610} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB2 )) 2.600 0.900 0.900 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.13442E-02 ppm1 5.178 ppm2 2.753 CV 1 ASSI { 1613} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 85 and name HN )) 2.600 2.600 3.400 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.13409E-02 ppm1 1.795 ppm2 8.594 CV 1 ASSI { 1614} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB3 )) 3.200 1.300 1.300 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.13409E-02 ppm1 4.522 ppm2 1.950 CV 1 ASSI { 1615} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HA )) 3.400 1.500 1.500 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.13409E-02 ppm1 1.790 ppm2 4.098 CV 1 ASSI { 1617} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 59 and name HA )) 2.900 1.100 1.100 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.13375E-02 ppm1 1.573 ppm2 3.695 CV 1 ASSI { 1618} (( segid " " and resid 51 and name HA )) (( segid " " and resid 31 and name HB2 )) 3.700 1.800 1.800 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.13375E-02 ppm1 3.146 ppm2 1.077 CV 1 ASSI { 1621} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 87 and name HA )) 3.000 1.100 1.100 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.13307E-02 ppm1 3.355 ppm2 4.595 CV 1 ASSI { 1626} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HG2 )) 2.700 0.900 0.900 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.13273E-02 ppm1 3.977 ppm2 1.303 CV 1 OR { 1626} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HG3 )) ASSI { 1631} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) 3.200 1.300 1.300 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.13206E-02 ppm1 3.438 ppm2 0.108 CV 1 ASSI { 1633} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 77 and name HA )) 2.800 1.000 1.000 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.13138E-02 ppm1 2.063 ppm2 4.674 CV 1 ASSI { 1636} (( segid " " and resid 92 and name HB )) (( segid " " and resid 92 and name HG12)) 3.300 1.400 1.400 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.13104E-02 ppm1 1.791 ppm2 1.125 CV 1 ASSI { 1650} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 50 and name HB2 )) 4.200 2.200 1.800 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.12901E-02 ppm1 1.090 ppm2 1.465 CV 1 ASSI { 1666} (( segid " " and resid 8 and name HA )) (( segid " " and resid 16 and name HD3 )) 3.800 3.800 2.200 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.12766E-02 ppm1 3.969 ppm2 3.578 CV 1 ASSI { 1670} (( segid " " and resid 23 and name HB )) (( segid " " and resid 90 and name HA )) 3.800 1.800 1.800 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.12698E-02 ppm1 4.202 ppm2 5.032 CV 1 ASSI { 1671} (( segid " " and resid 62 and name HA )) (( segid " " and resid 96 and name HN )) 3.400 3.400 2.600 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.12664E-02 ppm1 3.798 ppm2 7.914 CV 1 ASSI { 1678} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HN )) 3.200 1.300 1.300 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 1.551 ppm2 9.005 CV 1 ASSI { 1682} (( segid " " and resid 72 and name HA )) (( segid " " and resid 71 and name HB2 )) 3.200 1.200 1.200 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 4.286 ppm2 1.265 CV 1 ASSI { 1683} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 88 and name HA )) 2.700 0.900 0.900 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 1.691 ppm2 5.440 CV 1 ASSI { 1684} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HG2 )) 3.000 1.100 1.100 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 3.094 ppm2 1.461 CV 1 OR { 1684} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 88 and name HG2 )) ASSI { 1686} (( segid " " and resid 36 and name HA )) (( segid " " and resid 35 and name HB2 )) 3.800 1.800 1.800 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.12461E-02 ppm1 4.178 ppm2 1.644 CV 1 ASSI { 1689} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 60 and name HD3 )) 3.300 1.300 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.12427E-02 ppm1 1.573 ppm2 3.571 CV 1 ASSI { 1695} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HB2 )) 3.500 1.500 1.500 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.12359E-02 ppm1 3.778 ppm2 1.740 CV 1 ASSI { 1699} (( segid " " and resid 69 and name HA )) (( segid " " and resid 67 and name HG3 )) 3.700 1.700 1.700 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.12291E-02 ppm1 4.545 ppm2 0.591 CV 1 ASSI { 1712} (( segid " " and resid 53 and name HG3 )) (( segid " " and resid 53 and name HA )) 3.000 1.100 1.100 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.12190E-02 ppm1 2.306 ppm2 3.794 CV 1 ASSI { 1715} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.12122E-02 ppm1 2.597 ppm2 4.249 CV 1 ASSI { 1727} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 69 and name HA )) 2.700 0.900 0.900 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.11987E-02 ppm1 1.850 ppm2 4.549 CV 1 ASSI { 1729} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 1.959 ppm2 4.325 CV 1 OR { 1729} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HA )) ASSI { 1731} (( segid " " and resid 15 and name HB )) (( segid " " and resid 16 and name HB3 )) 3.900 1.900 1.900 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 3.837 ppm2 2.189 CV 1 ASSI { 1732} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 60 and name HD2 )) 3.900 1.900 1.900 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 1.507 ppm2 3.181 CV 1 OR { 1732} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HD2 )) ASSI { 1733} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 3.000 1.100 1.100 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.11919E-02 ppm1 4.414 ppm2 7.273 CV 1 ASSI { 1738} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HN )) 3.800 1.800 1.800 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.11817E-02 ppm1 3.787 ppm2 7.906 CV 1 ASSI { 1741} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.11783E-02 ppm1 1.350 ppm2 4.707 CV 1 ASSI { 1744} (( segid " " and resid 90 and name HA )) (( segid " " and resid 91 and name HB2 )) 4.000 2.000 2.000 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.11783E-02 ppm1 4.997 ppm2 0.756 CV 1 ASSI { 1746} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HN )) 3.100 1.200 1.200 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.11749E-02 ppm1 4.162 ppm2 7.039 CV 1 ASSI { 1748} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 58 and name HG2 )) 4.100 2.100 1.900 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.11749E-02 ppm1 3.458 ppm2 1.895 CV 1 OR { 1748} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 58 and name HG3 )) ASSI { 1754} (( segid " " and resid 65 and name HB )) (( segid " " and resid 65 and name HG12)) 3.400 1.400 1.400 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.11648E-02 ppm1 1.682 ppm2 0.933 CV 1 ASSI { 1765} (( segid " " and resid 46 and name HA )) (( segid " " and resid 81 and name HG )) 3.900 1.900 1.900 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.11479E-02 ppm1 4.249 ppm2 0.638 CV 1 ASSI { 1770} (( segid " " and resid 78 and name HA )) (( segid " " and resid 81 and name HB2 )) 2.500 0.800 0.800 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 3.726 ppm2 1.580 CV 1 ASSI { 1771} (( segid " " and resid 70 and name HA )) (( segid " " and resid 64 and name HN )) 3.600 1.700 1.700 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.11377E-02 ppm1 4.794 ppm2 8.659 CV 1 ASSI { 1774} (( segid " " and resid 46 and name HA )) (( segid " " and resid 49 and name HG2 )) 3.500 1.500 1.500 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.11377E-02 ppm1 4.250 ppm2 2.380 CV 1 ASSI { 1776} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 60 and name HD2 )) 4.300 2.300 1.700 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.11343E-02 ppm1 2.254 ppm2 3.180 CV 1 ASSI { 1778} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 61 and name HA )) 3.800 1.800 1.800 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.11343E-02 ppm1 1.998 ppm2 4.644 CV 1 ASSI { 1780} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HA )) 2.900 1.000 1.000 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.11309E-02 ppm1 1.089 ppm2 4.595 CV 1 ASSI { 1782} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 88 and name HD2 )) 3.200 1.200 1.200 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.11275E-02 ppm1 1.690 ppm2 3.100 CV 1 OR { 1782} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 88 and name HD3 )) ASSI { 1789} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HA )) 2.700 0.900 0.900 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 1.649 ppm2 5.173 CV 1 ASSI { 1791} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 20 and name HN )) 3.800 1.800 1.800 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 2.624 ppm2 8.706 CV 1 OR { 1791} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 20 and name HN )) ASSI { 1792} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 59 and name HN )) 3.300 1.400 1.400 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 3.176 ppm2 8.468 CV 1 ASSI { 1796} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 24 and name HA )) 3.300 1.300 1.300 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.11174E-02 ppm1 3.264 ppm2 5.188 CV 1 ASSI { 1797} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HD3 )) 3.400 1.400 1.400 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.11174E-02 ppm1 4.168 ppm2 3.587 CV 1 ASSI { 1798} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HD3 )) 3.300 1.300 1.300 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.11140E-02 ppm1 4.437 ppm2 3.560 CV 1 OR { 1798} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HD2 )) ASSI { 1802} (( segid " " and resid 81 and name HG )) (( segid " " and resid 46 and name HN )) 3.100 1.200 1.200 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.11106E-02 ppm1 0.708 ppm2 7.144 CV 1 ASSI { 1805} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HG12)) 3.300 1.300 1.300 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.11072E-02 ppm1 1.698 ppm2 1.032 CV 1 ASSI { 1818} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HA )) 3.300 1.400 1.400 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.10903E-02 ppm1 1.760 ppm2 4.551 CV 1 ASSI { 1821} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 67 and name HE2 )) 3.600 1.600 1.600 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.10903E-02 ppm1 1.471 ppm2 2.790 CV 1 OR { 1821} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 67 and name HE3 )) ASSI { 1823} (( segid " " and resid 34 and name HB )) (( segid " " and resid 34 and name HN )) 2.900 1.100 1.100 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.10869E-02 ppm1 4.072 ppm2 7.467 CV 1 ASSI { 1824} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HG3 )) 3.600 1.600 1.600 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.10869E-02 ppm1 3.909 ppm2 1.782 CV 1 OR { 1824} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB2 )) OR { 1824} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HG2 )) ASSI { 1825} (( segid " " and resid 15 and name HB )) (( segid " " and resid 12 and name HB2 )) 3.500 1.500 1.500 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.10835E-02 ppm1 3.836 ppm2 1.993 CV 1 OR { 1825} (( segid " " and resid 15 and name HB )) (( segid " " and resid 12 and name HB3 )) ASSI { 1832} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 64 and name HN )) 3.100 1.200 1.200 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 1.776 ppm2 8.654 CV 1 ASSI { 1845} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HA )) 2.900 1.000 1.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.10666E-02 ppm1 1.574 ppm2 4.598 CV 1 ASSI { 1846} (( segid " " and resid 44 and name HB )) (( segid " " and resid 75 and name HN )) 2.600 0.900 0.900 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.10632E-02 ppm1 2.197 ppm2 8.275 CV 1 ASSI { 1853} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HA )) 3.000 1.100 1.100 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 2.331 ppm2 4.157 CV 1 ASSI { 1857} (( segid " " and resid 51 and name HB )) (( segid " " and resid 51 and name HA )) 2.800 1.000 1.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 2.195 ppm2 3.164 CV 1 ASSI { 1860} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 52 and name HA )) 3.500 1.500 1.500 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 2.106 ppm2 3.749 CV 1 ASSI { 1863} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 50 and name HN )) 3.700 1.700 1.700 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.10429E-02 ppm1 2.338 ppm2 7.364 CV 1 ASSI { 1868} (( segid " " and resid 21 and name HB )) (( segid " " and resid 88 and name HA )) 3.100 1.200 1.200 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 1.693 ppm2 5.445 CV 1 ASSI { 1869} (( segid " " and resid 22 and name HB )) (( segid " " and resid 31 and name HG )) 3.700 1.700 1.700 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 1.829 ppm2 0.501 CV 1 ASSI { 1874} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 81 and name HA )) 3.000 1.100 1.100 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.10361E-02 ppm1 1.761 ppm2 4.256 CV 1 ASSI { 1881} (( segid " " and resid 54 and name HA )) (( segid " " and resid 53 and name HB3 )) 3.600 1.600 1.600 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.10327E-02 ppm1 4.069 ppm2 1.994 CV 1 ASSI { 1882} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HG2 )) 3.400 1.500 1.500 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.10327E-02 ppm1 3.798 ppm2 2.504 CV 1 OR { 1882} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HG3 )) ASSI { 1893} (( segid " " and resid 51 and name HB )) (( segid " " and resid 91 and name HN )) 4.100 2.100 1.900 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.10192E-02 ppm1 2.196 ppm2 8.819 CV 1 ASSI { 1898} (( segid " " and resid 59 and name HA )) (( segid " " and resid 62 and name HG2 )) 3.100 1.200 1.200 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.10124E-02 ppm1 3.705 ppm2 2.503 CV 1 OR { 1898} (( segid " " and resid 59 and name HA )) (( segid " " and resid 62 and name HG3 )) ASSI { 1904} (( segid " " and resid 56 and name HA1 )) (( segid " " and resid 55 and name HN )) 4.300 2.300 1.700 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.10090E-02 ppm1 3.663 ppm2 7.837 CV 1 ASSI { 1905} (( segid " " and resid 44 and name HB )) (( segid " " and resid 44 and name HN )) 3.600 1.600 1.600 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.10090E-02 ppm1 2.214 ppm2 7.879 CV 1 ASSI { 1907} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 18 and name HN )) 4.000 2.000 2.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.10090E-02 ppm1 2.833 ppm2 8.275 CV 1 ASSI { 1914} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 87 and name HB3 )) 3.600 1.700 1.700 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 3.026 ppm2 3.350 CV 1 OR { 1914} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 87 and name HB3 )) ASSI { 1915} (( segid " " and resid 68 and name HA2 )) (( segid " " and resid 70 and name HB3 )) 3.700 3.700 2.300 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 3.928 ppm2 3.617 CV 1 OR { 1915} (( segid " " and resid 68 and name HA2 )) (( segid " " and resid 70 and name HB2 )) ASSI { 1927} (( segid " " and resid 57 and name HA )) (( segid " " and resid 61 and name HB2 )) 3.900 1.900 1.900 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.98873E-03 ppm1 4.037 ppm2 2.573 CV 1 ASSI { 1931} (( segid " " and resid 36 and name HG3 )) (( segid " " and resid 36 and name HA )) 3.500 1.500 1.500 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.98195E-03 ppm1 2.402 ppm2 4.156 CV 1 ASSI { 1932} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 60 and name HD2 )) 4.100 2.100 1.900 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.98195E-03 ppm1 1.573 ppm2 3.183 CV 1 ASSI { 1933} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HN )) 2.800 1.000 1.000 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.98195E-03 ppm1 1.395 ppm2 8.264 CV 1 ASSI { 1937} (( segid " " and resid 31 and name HG )) (( segid " " and resid 51 and name HN )) 3.400 1.500 1.500 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.97518E-03 ppm1 0.488 ppm2 8.781 CV 1 ASSI { 1940} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 67 and name HG2 )) 3.300 1.300 1.300 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.97518E-03 ppm1 2.740 ppm2 0.103 CV 1 OR { 1940} (( segid " " and resid 67 and name HE3 )) (( segid " " and resid 67 and name HG2 )) ASSI { 1942} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB )) 3.100 1.200 1.200 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.97179E-03 ppm1 3.796 ppm2 1.880 CV 1 ASSI { 1943} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 21 and name HN )) 3.700 1.700 1.700 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.97179E-03 ppm1 1.014 ppm2 8.783 CV 1 ASSI { 1952} (( segid " " and resid 4 and name HA )) (( segid " " and resid 84 and name HB3 )) 3.000 1.100 1.100 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.95823E-03 ppm1 4.167 ppm2 2.064 CV 1 ASSI { 1956} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 3.300 1.400 1.400 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.95149E-03 ppm1 3.910 ppm2 7.383 CV 1 ASSI { 1960} (( segid " " and resid 69 and name HD3 )) (( segid " " and resid 69 and name HN )) 3.800 1.800 1.800 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.94811E-03 ppm1 1.576 ppm2 7.749 CV 1 OR { 1960} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 69 and name HN )) ASSI { 1961} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 75 and name HN )) 4.000 2.000 2.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.94811E-03 ppm1 1.871 ppm2 8.262 CV 1 OR { 1961} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HN )) ASSI { 1966} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 90 and name HN )) 4.700 2.700 1.300 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.94472E-03 ppm1 0.555 ppm2 8.720 CV 1 ASSI { 1971} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.93794E-03 ppm1 1.910 ppm2 2.587 CV 1 OR { 1971} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 61 and name HB2 )) ASSI { 1973} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HA )) 3.000 1.100 1.100 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.93794E-03 ppm1 1.734 ppm2 3.749 CV 1 ASSI { 1975} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 9 and name HN )) 3.700 1.700 1.700 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.93455E-03 ppm1 1.351 ppm2 8.366 CV 1 ASSI { 1976} (( segid " " and resid 50 and name HG )) (( segid " " and resid 50 and name HA )) 3.100 1.200 1.200 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.93455E-03 ppm1 0.950 ppm2 4.100 CV 1 ASSI { 1979} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HN )) 3.200 1.300 1.300 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.93116E-03 ppm1 4.482 ppm2 9.225 CV 1 ASSI { 1980} (( segid " " and resid 65 and name HG12)) (( segid " " and resid 65 and name HA )) 3.100 1.200 1.200 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.93116E-03 ppm1 0.929 ppm2 4.760 CV 1 ASSI { 1986} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 16 and name HD3 )) 3.400 1.500 1.500 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.92439E-03 ppm1 2.242 ppm2 3.575 CV 1 ASSI { 1987} (( segid " " and resid 43 and name HA )) (( segid " " and resid 78 and name HG )) 2.500 0.800 0.800 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.92439E-03 ppm1 5.004 ppm2 1.205 CV 1 ASSI { 1989} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.900 1.000 1.000 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.92439E-03 ppm1 4.100 ppm2 7.355 CV 1 ASSI { 1994} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HA )) 3.400 1.500 1.500 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.91761E-03 ppm1 3.091 ppm2 5.444 CV 1 OR { 1994} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 88 and name HA )) ASSI { 1995} (( segid " " and resid 86 and name HA1 )) (( segid " " and resid 85 and name HA )) 4.100 2.100 1.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.91761E-03 ppm1 3.484 ppm2 4.755 CV 1 ASSI { 2019} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HA )) 3.000 1.100 1.100 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.89054E-03 ppm1 3.837 ppm2 4.154 CV 1 ASSI { 2025} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HB2 )) 3.400 1.400 1.400 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.88715E-03 ppm1 4.356 ppm2 1.441 CV 1 OR { 2025} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HG3 )) ASSI { 2028} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HN )) 3.700 1.700 1.700 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.88038E-03 ppm1 4.064 ppm2 7.119 CV 1 ASSI { 2029} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HG3 )) 2.800 0.900 0.900 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.88038E-03 ppm1 1.443 ppm2 2.504 CV 1 OR { 2029} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HG2 )) ASSI { 2031} (( segid " " and resid 71 and name HA )) (( segid " " and resid 76 and name HN )) 4.200 2.200 1.800 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.88038E-03 ppm1 4.412 ppm2 8.055 CV 1 ASSI { 2040} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HB3 )) 2.500 0.800 0.800 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.87021E-03 ppm1 1.564 ppm2 1.757 CV 1 ASSI { 2042} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 49 and name HA )) 3.100 1.200 1.200 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.87021E-03 ppm1 2.437 ppm2 3.908 CV 1 ASSI { 2046} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HD3 )) 3.600 1.600 1.600 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.86682E-03 ppm1 1.778 ppm2 3.098 CV 1 OR { 2046} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HD2 )) ASSI { 2048} (( segid " " and resid 62 and name HA )) (( segid " " and resid 93 and name HA2 )) 3.300 1.300 1.300 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.86343E-03 ppm1 3.739 ppm2 4.092 CV 1 ASSI { 2052} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HB2 )) 4.300 2.300 1.700 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.86343E-03 ppm1 4.485 ppm2 2.423 CV 1 OR { 2052} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HB3 )) ASSI { 2053} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 46 and name HN )) 4.100 2.100 1.900 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.86343E-03 ppm1 1.568 ppm2 7.163 CV 1 ASSI { 2054} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 86 and name HA2 )) 3.500 1.500 1.500 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.86005E-03 ppm1 3.650 ppm2 4.074 CV 1 OR { 2054} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 86 and name HA2 )) ASSI { 2058} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HN )) 3.300 1.300 1.300 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.85666E-03 ppm1 4.104 ppm2 7.491 CV 1 ASSI { 2060} (( segid " " and resid 65 and name HB )) (( segid " " and resid 65 and name HN )) 3.000 1.200 1.200 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.85327E-03 ppm1 1.680 ppm2 9.169 CV 1 ASSI { 2067} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 64 and name HA )) 2.900 1.100 1.100 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.84649E-03 ppm1 1.817 ppm2 5.105 CV 1 ASSI { 2069} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HA )) 3.300 1.400 1.400 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.84649E-03 ppm1 1.779 ppm2 5.440 CV 1 ASSI { 2077} (( segid " " and resid 89 and name HB )) (( segid " " and resid 22 and name HA )) 3.500 1.500 1.500 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.82959E-03 ppm1 1.720 ppm2 5.308 CV 1 ASSI { 2084} (( segid " " and resid 81 and name HA )) (( segid " " and resid 78 and name HG )) 4.300 2.300 1.700 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.82620E-03 ppm1 4.266 ppm2 1.211 CV 1 ASSI { 2087} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HN )) 3.300 1.300 1.300 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.82281E-03 ppm1 4.175 ppm2 7.735 CV 1 ASSI { 2091} (( segid " " and resid 3 and name HD3 )) (( segid " " and resid 84 and name HN )) 3.900 1.900 1.900 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.81942E-03 ppm1 1.539 ppm2 7.338 CV 1 OR { 2091} (( segid " " and resid 3 and name HD2 )) (( segid " " and resid 84 and name HN )) ASSI { 2092} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HD2 )) 3.000 1.100 1.100 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.81942E-03 ppm1 1.042 ppm2 3.178 CV 1 ASSI { 2094} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HA )) 3.800 1.800 1.800 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.81942E-03 ppm1 0.488 ppm2 4.602 CV 1 ASSI { 2097} (( segid " " and resid 63 and name HA )) (( segid " " and resid 62 and name HG2 )) 3.400 1.500 1.500 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.81603E-03 ppm1 4.355 ppm2 2.481 CV 1 OR { 2097} (( segid " " and resid 63 and name HA )) (( segid " " and resid 62 and name HG3 )) ASSI { 2105} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HG3 )) 3.500 1.600 1.600 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.81265E-03 ppm1 5.098 ppm2 0.588 CV 1 ASSI { 2107} (( segid " " and resid 31 and name HG )) (( segid " " and resid 29 and name HB3 )) 4.000 2.000 2.000 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.80926E-03 ppm1 0.488 ppm2 2.612 CV 1 OR { 2107} (( segid " " and resid 31 and name HG )) (( segid " " and resid 29 and name HB2 )) ASSI { 2110} (( segid " " and resid 19 and name HA )) (( segid " " and resid 33 and name HN )) 3.600 1.600 1.600 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.80248E-03 ppm1 5.124 ppm2 9.159 CV 1 ASSI { 2111} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HG )) 2.800 0.900 0.900 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.80248E-03 ppm1 3.725 ppm2 1.200 CV 1 ASSI { 2112} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HD2 )) 3.900 1.900 1.900 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.80248E-03 ppm1 2.005 ppm2 3.176 CV 1 ASSI { 2115} (( segid " " and resid 89 and name HB )) (( segid " " and resid 89 and name HA )) 2.800 1.000 1.000 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.79909E-03 ppm1 1.724 ppm2 4.568 CV 1 ASSI { 2120} (( segid " " and resid 22 and name HB )) (( segid " " and resid 22 and name HA )) 3.200 1.300 1.300 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.79232E-03 ppm1 1.829 ppm2 5.300 CV 1 ASSI { 2125} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 10 and name HN )) 3.600 1.600 1.600 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.78893E-03 ppm1 1.984 ppm2 8.117 CV 1 ASSI { 2132} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HA )) 4.400 2.400 1.600 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.78558E-03 ppm1 5.099 ppm2 3.429 CV 1 ASSI { 2133} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 9 and name HB3 )) 3.600 1.600 1.600 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.78558E-03 ppm1 2.875 ppm2 2.031 CV 1 OR { 2133} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 9 and name HB3 )) ASSI { 2139} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 13 and name HN )) 4.000 2.000 2.000 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.77880E-03 ppm1 1.969 ppm2 8.450 CV 1 ASSI { 2149} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 60 and name HD2 )) 2.400 0.700 0.700 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.76864E-03 ppm1 1.653 ppm2 3.178 CV 1 ASSI { 2150} (( segid " " and resid 16 and name HD3 )) (( segid " " and resid 86 and name HA1 )) 4.400 2.400 1.600 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.76864E-03 ppm1 3.585 ppm2 3.455 CV 1 ASSI { 2156} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HG2 )) 3.900 1.900 1.900 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.76525E-03 ppm1 4.431 ppm2 1.402 CV 1 OR { 2156} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HG3 )) ASSI { 2157} (( segid " " and resid 24 and name HA )) (( segid " " and resid 91 and name HB2 )) 3.900 1.900 1.900 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.76525E-03 ppm1 5.180 ppm2 0.851 CV 1 ASSI { 2163} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HA )) 3.600 1.600 1.600 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.75169E-03 ppm1 1.460 ppm2 5.442 CV 1 ASSI { 2164} (( segid " " and resid 22 and name HB )) (( segid " " and resid 89 and name HN )) 4.100 2.100 1.900 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.75169E-03 ppm1 1.825 ppm2 9.130 CV 1 ASSI { 2167} (( segid " " and resid 65 and name HB )) (( segid " " and resid 65 and name HA )) 3.300 1.400 1.400 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.75169E-03 ppm1 1.680 ppm2 4.748 CV 1 ASSI { 2170} (( segid " " and resid 18 and name HG )) (( segid " " and resid 18 and name HA )) 3.200 1.300 1.300 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.74830E-03 ppm1 0.396 ppm2 4.692 CV 1 ASSI { 2173} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HN )) 3.000 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.74492E-03 ppm1 4.414 ppm2 7.943 CV 1 ASSI { 2192} (( segid " " and resid 76 and name HA )) (( segid " " and resid 44 and name HB )) 3.400 3.400 2.600 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.73140E-03 ppm1 4.451 ppm2 2.197 CV 1 ASSI { 2197} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HG )) 3.000 1.100 1.100 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.72801E-03 ppm1 1.568 ppm2 0.687 CV 1 ASSI { 2201} (( segid " " and resid 52 and name HA )) (( segid " " and resid 62 and name HE22)) 3.200 1.300 1.300 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.72462E-03 ppm1 3.756 ppm2 6.453 CV 1 ASSI { 2205} (( segid " " and resid 31 and name HG )) (( segid " " and resid 51 and name HA )) 3.300 1.400 1.400 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.72462E-03 ppm1 0.488 ppm2 3.151 CV 1 ASSI { 2213} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 61 and name HB2 )) 3.100 1.200 1.200 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.71107E-03 ppm1 3.519 ppm2 2.565 CV 1 OR { 2213} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 61 and name HB2 )) ASSI { 2220} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 61 and name HA )) 4.200 2.200 1.800 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.71107E-03 ppm1 1.849 ppm2 4.665 CV 1 OR { 2220} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 61 and name HA )) ASSI { 2224} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 67 and name HE3 )) 4.000 2.000 2.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.70429E-03 ppm1 2.946 ppm2 2.786 CV 1 OR { 2224} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 67 and name HE3 )) OR { 2224} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 67 and name HE2 )) OR { 2224} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 67 and name HE2 )) ASSI { 2233} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HA )) 3.000 1.200 1.200 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.69752E-03 ppm1 1.567 ppm2 4.252 CV 1 ASSI { 2235} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 71 and name HB2 )) 3.900 1.900 1.900 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.69752E-03 ppm1 1.814 ppm2 1.293 CV 1 ASSI { 2240} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 77 and name HB3 )) 3.600 1.600 1.600 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.69074E-03 ppm1 2.942 ppm2 2.000 CV 1 OR { 2240} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 77 and name HB3 )) ASSI { 2250} (( segid " " and resid 18 and name HG )) (( segid " " and resid 84 and name HA )) 3.600 1.600 1.600 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.68396E-03 ppm1 0.397 ppm2 4.416 CV 1 ASSI { 2254} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HE3 )) 4.500 2.500 1.500 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.68396E-03 ppm1 3.434 ppm2 2.780 CV 1 OR { 2254} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HE2 )) ASSI { 2257} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 78 and name HG )) 4.300 2.300 1.700 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.68057E-03 ppm1 1.763 ppm2 1.212 CV 1 ASSI { 2265} (( segid " " and resid 52 and name HA )) (( segid " " and resid 62 and name HE21)) 3.800 1.800 1.800 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.67384E-03 ppm1 3.756 ppm2 6.795 CV 1 ASSI { 2266} (( segid " " and resid 89 and name HB )) (( segid " " and resid 65 and name HN )) 5.300 3.600 0.700 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.67384E-03 ppm1 1.724 ppm2 9.242 CV 1 ASSI { 2269} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 75 and name HN )) 4.000 2.000 2.000 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.67384E-03 ppm1 1.625 ppm2 8.272 CV 1 ASSI { 2279} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 62 and name HB2 )) 3.800 1.800 1.800 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.66706E-03 ppm1 2.575 ppm2 1.479 CV 1 ASSI { 2294} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 88 and name HN )) 3.700 1.700 1.700 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.65351E-03 ppm1 2.875 ppm2 8.247 CV 1 OR { 2294} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 88 and name HN )) ASSI { 2297} (( segid " " and resid 78 and name HA )) (( segid " " and resid 81 and name HB3 )) 4.500 2.500 1.500 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.65351E-03 ppm1 3.721 ppm2 1.771 CV 1 ASSI { 2298} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 8 and name HN )) 4.400 2.400 1.600 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.65012E-03 ppm1 2.006 ppm2 8.043 CV 1 ASSI { 2303} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HD3 )) 4.100 2.200 1.900 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.64334E-03 ppm1 1.043 ppm2 3.580 CV 1 ASSI { 2312} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 46 and name HA )) 2.900 1.000 1.000 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.63995E-03 ppm1 2.146 ppm2 4.238 CV 1 ASSI { 2316} (( segid " " and resid 81 and name HG )) (( segid " " and resid 81 and name HA )) 3.900 1.900 1.900 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.63995E-03 ppm1 0.706 ppm2 4.258 CV 1 ASSI { 2317} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 50 and name HB2 )) 4.300 2.300 1.700 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.63995E-03 ppm1 1.581 ppm2 1.473 CV 1 ASSI { 2328} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HA )) 4.900 3.000 1.100 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.62979E-03 ppm1 5.182 ppm2 3.699 CV 1 ASSI { 2350} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 46 and name HN )) 4.300 2.300 1.700 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.61627E-03 ppm1 1.760 ppm2 7.160 CV 1 ASSI { 2352} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HD3 )) 4.300 2.300 1.700 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.61627E-03 ppm1 2.004 ppm2 3.580 CV 1 ASSI { 2358} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HG2 )) 5.000 3.100 1.000 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.61288E-03 ppm1 3.963 ppm2 2.144 CV 1 OR { 2358} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HG3 )) ASSI { 2368} (( segid " " and resid 40 and name HA )) (( segid " " and resid 39 and name HB2 )) 3.600 1.600 1.600 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.60272E-03 ppm1 4.243 ppm2 2.856 CV 1 ASSI { 2378} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 40 and name HA )) 4.300 2.300 1.700 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.59594E-03 ppm1 3.770 ppm2 4.264 CV 1 ASSI { 2384} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 24 and name HN )) 3.300 1.300 1.300 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.59594E-03 ppm1 2.177 ppm2 8.663 CV 1 ASSI { 2385} (( segid " " and resid 36 and name HA )) (( segid " " and resid 14 and name HN )) 2.600 2.600 3.400 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.59594E-03 ppm1 4.141 ppm2 8.714 CV 1 ASSI { 2393} (( segid " " and resid 66 and name HA )) (( segid " " and resid 89 and name HA )) 4.700 2.700 1.300 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.59255E-03 ppm1 5.097 ppm2 4.586 CV 1 ASSI { 2394} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 14 and name HN )) 2.600 2.600 3.400 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.58916E-03 ppm1 2.340 ppm2 8.722 CV 1 ASSI { 2395} (( segid " " and resid 82 and name HA2 )) (( segid " " and resid 86 and name HA1 )) 3.300 3.300 2.700 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.58916E-03 ppm1 4.206 ppm2 3.511 CV 1 ASSI { 2396} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HA )) 4.500 2.600 1.500 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.58916E-03 ppm1 1.289 ppm2 3.433 CV 1 OR { 2396} (( segid " " and resid 67 and name HD3 )) (( segid " " and resid 67 and name HA )) ASSI { 2405} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 91 and name HB2 )) 4.200 2.200 1.800 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.58578E-03 ppm1 2.749 ppm2 0.847 CV 1 ASSI { 2424} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 17 and name HG2 )) 3.900 1.900 1.900 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.57561E-03 ppm1 1.880 ppm2 1.476 CV 1 OR { 2424} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 17 and name HG3 )) ASSI { 2425} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) 3.800 1.800 1.800 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.57561E-03 ppm1 1.571 ppm2 3.813 CV 1 ASSI { 2427} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 13 and name HA )) 3.400 1.400 1.400 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.57222E-03 ppm1 1.973 ppm2 4.114 CV 1 ASSI { 2431} (( segid " " and resid 67 and name HE3 )) (( segid " " and resid 46 and name HB2 )) 4.400 2.400 1.600 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.57222E-03 ppm1 2.786 ppm2 2.637 CV 1 OR { 2431} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 46 and name HB3 )) OR { 2431} (( segid " " and resid 67 and name HE3 )) (( segid " " and resid 46 and name HB3 )) ASSI { 2446} (( segid " " and resid 43 and name HB )) (( segid " " and resid 42 and name HA )) 4.700 2.700 1.300 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.56209E-03 ppm1 2.031 ppm2 4.661 CV 1 ASSI { 2447} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 54 and name HN )) 4.200 2.200 1.800 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.56209E-03 ppm1 2.870 ppm2 7.968 CV 1 OR { 2447} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 54 and name HN )) ASSI { 2452} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HB2 )) 3.500 3.500 2.500 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.55871E-03 ppm1 3.934 ppm2 1.070 CV 1 ASSI { 2468} (( segid " " and resid 95 and name HA )) (( segid " " and resid 58 and name HD2 )) 4.500 2.500 1.500 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.54854E-03 ppm1 3.978 ppm2 3.523 CV 1 OR { 2468} (( segid " " and resid 95 and name HA )) (( segid " " and resid 58 and name HD3 )) ASSI { 2474} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HB3 )) 4.000 2.000 2.000 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.54515E-03 ppm1 4.594 ppm2 1.495 CV 1 ASSI { 2477} (( segid " " and resid 95 and name HD3 )) (( segid " " and resid 51 and name HA )) 5.000 3.200 1.000 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.54176E-03 ppm1 1.547 ppm2 3.155 CV 1 OR { 2477} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 51 and name HA )) ASSI { 2496} (( segid " " and resid 8 and name HB )) (( segid " " and resid 8 and name HA )) 3.200 1.300 1.300 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.53838E-03 ppm1 1.923 ppm2 3.995 CV 1 ASSI { 2501} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB3 )) 3.300 1.400 1.400 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.53160E-03 ppm1 4.309 ppm2 1.980 CV 1 ASSI { 2515} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 24 and name HB3 )) 3.800 1.800 1.800 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.52143E-03 ppm1 3.450 ppm2 3.252 CV 1 ASSI { 2516} (( segid " " and resid 71 and name HA )) (( segid " " and resid 62 and name HG3 )) 4.400 2.400 1.600 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.51805E-03 ppm1 4.417 ppm2 2.501 CV 1 OR { 2516} (( segid " " and resid 71 and name HA )) (( segid " " and resid 62 and name HG2 )) ASSI { 2520} (( segid " " and resid 86 and name HA1 )) (( segid " " and resid 18 and name HB3 )) 3.100 1.200 1.200 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.51805E-03 ppm1 3.483 ppm2 1.321 CV 1 ASSI { 2527} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HA )) 4.200 2.200 1.800 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.51805E-03 ppm1 1.826 ppm2 4.287 CV 1 OR { 2527} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HA )) ASSI { 2528} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 64 and name HB2 )) 4.700 2.800 1.300 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.51470E-03 ppm1 1.306 ppm2 0.914 CV 1 ASSI { 2530} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HN )) 3.400 1.400 1.400 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.51470E-03 ppm1 1.615 ppm2 7.938 CV 1 ASSI { 2541} (( segid " " and resid 62 and name HA )) (( segid " " and resid 61 and name HA )) 3.600 1.600 1.600 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.50792E-03 ppm1 3.770 ppm2 4.704 CV 1 ASSI { 2544} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 71 and name HB2 )) 3.500 1.500 1.500 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.50792E-03 ppm1 1.579 ppm2 1.264 CV 1 ASSI { 2545} (( segid " " and resid 51 and name HA )) (( segid " " and resid 91 and name HN )) 4.500 2.500 1.500 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.50792E-03 ppm1 3.144 ppm2 8.819 CV 1 ASSI { 2546} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 65 and name HG12)) 3.600 1.700 1.700 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.50792E-03 ppm1 3.655 ppm2 0.899 CV 1 OR { 2546} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 65 and name HG12)) ASSI { 2549} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HD2 )) 3.800 1.800 1.800 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.50453E-03 ppm1 4.169 ppm2 3.182 CV 1 ASSI { 2552} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 18 and name HB2 )) 2.700 0.900 0.900 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.50453E-03 ppm1 3.788 ppm2 1.139 CV 1 ASSI { 2560} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 91 and name HB2 )) 4.500 2.600 1.500 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.49775E-03 ppm1 1.914 ppm2 0.784 CV 1 ASSI { 2571} (( segid " " and resid 48 and name HA )) (( segid " " and resid 64 and name HB3 )) 4.200 2.300 1.800 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.49098E-03 ppm1 3.932 ppm2 1.791 CV 1 ASSI { 2578} (( segid " " and resid 58 and name HA )) (( segid " " and resid 60 and name HD2 )) 4.600 2.600 1.400 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.48759E-03 ppm1 4.292 ppm2 3.185 CV 1 ASSI { 2581} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 41 and name HN )) 4.500 2.500 1.500 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.48759E-03 ppm1 3.761 ppm2 7.559 CV 1 ASSI { 2620} (( segid " " and resid 59 and name HA )) (( segid " " and resid 52 and name HB3 )) 4.400 2.400 1.600 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.46387E-03 ppm1 3.708 ppm2 2.104 CV 1 ASSI { 2624} (( segid " " and resid 21 and name HB )) (( segid " " and resid 90 and name HB3 )) 3.800 1.800 1.800 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.46387E-03 ppm1 1.696 ppm2 1.983 CV 1 OR { 2624} (( segid " " and resid 21 and name HB )) (( segid " " and resid 90 and name HB2 )) ASSI { 2633} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 17 and name HG2 )) 4.100 2.100 1.900 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.46052E-03 ppm1 1.831 ppm2 1.439 CV 1 OR { 2633} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 17 and name HG3 )) OR { 2633} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 17 and name HB2 )) ASSI { 2636} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 49 and name HA )) 4.500 2.500 1.500 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.46052E-03 ppm1 1.739 ppm2 3.903 CV 1 ASSI { 2637} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 6 and name HG3 )) 4.500 2.500 1.500 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.46052E-03 ppm1 2.625 ppm2 2.113 CV 1 OR { 2637} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 6 and name HG2 )) OR { 2637} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 6 and name HG3 )) OR { 2637} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 6 and name HG2 )) ASSI { 2642} (( segid " " and resid 43 and name HA )) (( segid " " and resid 78 and name HB2 )) 4.900 3.000 1.100 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.45713E-03 ppm1 5.007 ppm2 1.408 CV 1 ASSI { 2649} (( segid " " and resid 10 and name HB )) (( segid " " and resid 32 and name HA )) 3.900 1.900 1.900 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.45374E-03 ppm1 3.979 ppm2 4.667 CV 1 ASSI { 2655} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 66 and name HB3 )) 4.400 2.400 1.600 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.45374E-03 ppm1 2.112 ppm2 2.864 CV 1 OR { 2655} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 66 and name HB2 )) ASSI { 2665} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 25 and name HB3 )) 3.500 1.500 1.500 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.45035E-03 ppm1 2.151 ppm2 3.881 CV 1 ASSI { 2672} (( segid " " and resid 93 and name HA2 )) (( segid " " and resid 92 and name HA )) 4.400 2.400 1.600 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.44358E-03 ppm1 4.074 ppm2 4.403 CV 1 ASSI { 2676} (( segid " " and resid 4 and name HB )) (( segid " " and resid 4 and name HN )) 3.800 1.800 1.800 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.44358E-03 ppm1 4.118 ppm2 8.057 CV 1 ASSI { 2682} (( segid " " and resid 22 and name HA )) (( segid " " and resid 90 and name HA )) 4.100 2.100 1.900 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.44019E-03 ppm1 5.294 ppm2 5.031 CV 1 ASSI { 2684} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 84 and name HA )) 4.600 2.700 1.400 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.44019E-03 ppm1 2.619 ppm2 4.410 CV 1 OR { 2684} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 84 and name HA )) ASSI { 2691} (( segid " " and resid 43 and name HA )) (( segid " " and resid 42 and name HB2 )) 3.900 1.900 1.900 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.43680E-03 ppm1 5.013 ppm2 1.617 CV 1 OR { 2691} (( segid " " and resid 43 and name HA )) (( segid " " and resid 42 and name HB3 )) ASSI { 2702} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 62 and name HA )) 4.400 2.400 1.600 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.43341E-03 ppm1 1.665 ppm2 3.780 CV 1 ASSI { 2721} (( segid " " and resid 55 and name HB )) (( segid " " and resid 56 and name HN )) 4.000 2.000 2.000 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.42663E-03 ppm1 3.693 ppm2 7.711 CV 1 ASSI { 2732} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 27 and name HB3 )) 3.900 1.900 1.900 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.41986E-03 ppm1 3.911 ppm2 2.169 CV 1 OR { 2732} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 27 and name HG2 )) ASSI { 2743} (( segid " " and resid 89 and name HA )) (( segid " " and resid 66 and name HN )) 4.500 2.500 1.500 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.40969E-03 ppm1 4.526 ppm2 8.906 CV 1 ASSI { 2744} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) 3.900 1.900 1.900 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.40969E-03 ppm1 4.190 ppm2 7.180 CV 1 ASSI { 2745} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HD3 )) 3.600 1.600 1.600 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.40969E-03 ppm1 1.800 ppm2 3.562 CV 1 OR { 2745} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HD2 )) ASSI { 2757} (( segid " " and resid 44 and name HB )) (( segid " " and resid 44 and name HA )) 3.200 1.200 1.200 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.40295E-03 ppm1 2.228 ppm2 3.244 CV 1 ASSI { 2759} (( segid " " and resid 52 and name HG3 )) (( segid " " and resid 49 and name HA )) 4.000 2.000 2.000 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.40295E-03 ppm1 1.804 ppm2 3.934 CV 1 OR { 2759} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 49 and name HA )) ASSI { 2760} (( segid " " and resid 34 and name HB )) (( segid " " and resid 81 and name HG )) 5.100 3.200 0.900 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.40295E-03 ppm1 4.065 ppm2 0.686 CV 1 ASSI { 2763} (( segid " " and resid 20 and name HB )) (( segid " " and resid 19 and name HA )) 4.600 2.600 1.400 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.40295E-03 ppm1 1.565 ppm2 5.126 CV 1 ASSI { 2764} (( segid " " and resid 86 and name HA1 )) (( segid " " and resid 82 and name HA1 )) 4.200 2.200 1.800 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.39957E-03 ppm1 3.488 ppm2 3.678 CV 1 ASSI { 2771} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 76 and name HN )) 5.200 3.400 0.800 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.39957E-03 ppm1 1.624 ppm2 8.089 CV 1 ASSI { 2776} (( segid " " and resid 86 and name HA2 )) (( segid " " and resid 3 and name HE2 )) 3.800 1.800 1.800 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.39618E-03 ppm1 4.067 ppm2 2.855 CV 1 OR { 2776} (( segid " " and resid 86 and name HA2 )) (( segid " " and resid 3 and name HE3 )) ASSI { 2783} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HA )) 3.700 1.700 1.700 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.39279E-03 ppm1 1.692 ppm2 4.728 CV 1 ASSI { 2787} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 68 and name HA2 )) 4.300 2.300 1.700 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.39279E-03 ppm1 0.643 ppm2 3.927 CV 1 ASSI { 2800} (( segid " " and resid 21 and name HB )) (( segid " " and resid 89 and name HN )) 3.800 1.800 1.800 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.38940E-03 ppm1 1.694 ppm2 9.124 CV 1 ASSI { 2809} (( segid " " and resid 6 and name HA )) (( segid " " and resid 85 and name HN )) 5.100 3.200 0.900 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.38601E-03 ppm1 4.119 ppm2 8.599 CV 1 ASSI { 2827} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 3 and name HE2 )) 3.600 1.600 1.600 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.37585E-03 ppm1 3.086 ppm2 2.848 CV 1 OR { 2827} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 3 and name HE2 )) ASSI { 2832} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HB )) 4.400 2.500 1.600 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.37247E-03 ppm1 4.102 ppm2 2.221 CV 1 ASSI { 2857} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 18 and name HB2 )) 5.400 3.700 0.600 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.35554E-03 ppm1 2.472 ppm2 1.126 CV 1 OR { 2857} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 18 and name HB2 )) ASSI { 2871} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HB2 )) 4.300 2.400 1.700 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.35215E-03 ppm1 4.877 ppm2 1.045 CV 1 ASSI { 2873} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 67 and name HB3 )) 4.100 2.100 1.900 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.35215E-03 ppm1 0.556 ppm2 1.536 CV 1 ASSI { 2888} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HD2 )) 4.200 2.200 1.800 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.34537E-03 ppm1 3.706 ppm2 3.167 CV 1 ASSI { 2895} (( segid " " and resid 67 and name HE3 )) (( segid " " and resid 51 and name HB )) 4.500 2.500 1.500 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.34537E-03 ppm1 2.751 ppm2 2.230 CV 1 OR { 2895} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 51 and name HB )) ASSI { 2902} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 89 and name HA )) 4.300 2.300 1.700 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.34199E-03 ppm1 1.916 ppm2 4.573 CV 1 OR { 2902} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 89 and name HA )) ASSI { 2905} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HB3 )) 4.400 2.400 1.600 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.34199E-03 ppm1 3.776 ppm2 2.230 CV 1 ASSI { 2907} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 93 and name HN )) 4.400 2.500 1.600 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.34199E-03 ppm1 3.260 ppm2 8.624 CV 1 ASSI { 2913} (( segid " " and resid 34 and name HB )) (( segid " " and resid 33 and name HA )) 4.800 2.900 1.200 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.33657E-03 ppm1 4.093 ppm2 3.778 CV 1 ASSI { 2914} (( segid " " and resid 33 and name HA )) (( segid " " and resid 42 and name HG3 )) 4.500 2.600 1.500 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.33657E-03 ppm1 3.787 ppm2 1.734 CV 1 OR { 2914} (( segid " " and resid 33 and name HA )) (( segid " " and resid 42 and name HG2 )) ASSI { 2920} (( segid " " and resid 13 and name HG3 )) (( segid " " and resid 12 and name HA )) 4.500 2.500 1.500 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.33353E-03 ppm1 2.879 ppm2 4.457 CV 1 ASSI { 2925} (( segid " " and resid 21 and name HB )) (( segid " " and resid 88 and name HD2 )) 4.400 2.500 1.600 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.33251E-03 ppm1 1.692 ppm2 3.098 CV 1 OR { 2925} (( segid " " and resid 21 and name HB )) (( segid " " and resid 88 and name HD3 )) ASSI { 2931} (( segid " " and resid 89 and name HB )) (( segid " " and resid 88 and name HA )) 4.700 2.800 1.300 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.33149E-03 ppm1 1.718 ppm2 5.466 CV 1 ASSI { 2933} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 67 and name HA )) 2.900 2.900 3.100 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.32946E-03 ppm1 3.088 ppm2 3.414 CV 1 OR { 2933} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 67 and name HA )) ASSI { 2955} (( segid " " and resid 62 and name HA )) (( segid " " and resid 64 and name HB2 )) 5.200 3.400 0.800 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.32370E-03 ppm1 3.795 ppm2 0.866 CV 1 ASSI { 2962} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 47 and name HA )) 4.700 2.700 1.300 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.31998E-03 ppm1 0.597 ppm2 3.889 CV 1 ASSI { 2966} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 3.800 1.800 1.800 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.31761E-03 ppm1 4.194 ppm2 8.748 CV 1 ASSI { 2970} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 61 and name HB3 )) 5.300 3.500 0.700 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.31693E-03 ppm1 1.375 ppm2 3.417 CV 1 ASSI { 2979} (( segid " " and resid 15 and name HB )) (( segid " " and resid 16 and name HD3 )) 4.100 2.100 1.900 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.31524E-03 ppm1 3.835 ppm2 3.540 CV 1 ASSI { 2991} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 51 and name HA )) 4.700 2.800 1.300 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.31050E-03 ppm1 1.640 ppm2 3.103 CV 1 ASSI { 3009} (( segid " " and resid 31 and name HG )) (( segid " " and resid 51 and name HB )) 4.500 2.600 1.500 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.30576E-03 ppm1 0.495 ppm2 2.201 CV 1 ASSI { 3016} (( segid " " and resid 65 and name HB )) (( segid " " and resid 89 and name HA )) 4.800 2.800 1.200 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.30339E-03 ppm1 1.674 ppm2 4.550 CV 1 ASSI { 3026} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HG2 )) 4.400 2.400 1.600 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.30000E-03 ppm1 5.097 ppm2 0.109 CV 1 ASSI { 3047} (( segid " " and resid 33 and name HB )) (( segid " " and resid 86 and name HN )) 4.600 2.600 1.400 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.29120E-03 ppm1 1.901 ppm2 9.279 CV 1 ASSI { 3056} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 30 and name HA )) 5.100 3.200 0.900 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.28747E-03 ppm1 1.574 ppm2 4.881 CV 1 ASSI { 3083} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 46 and name HN )) 5.400 3.700 0.600 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.27935E-03 ppm1 2.205 ppm2 7.174 CV 1 OR { 3083} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 46 and name HN )) ASSI { 3084} (( segid " " and resid 3 and name HA )) (( segid " " and resid 5 and name HN )) 4.300 2.300 1.700 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.27901E-03 ppm1 4.271 ppm2 8.334 CV 1 ASSI { 3111} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 58 and name HA )) 5.100 3.200 0.900 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.26851E-03 ppm1 3.581 ppm2 4.283 CV 1 ASSI { 3115} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 27 and name HB3 )) 4.900 2.900 1.100 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.26648E-03 ppm1 3.454 ppm2 2.174 CV 1 OR { 3115} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 27 and name HG2 )) ASSI { 3125} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 84 and name HN )) 4.100 2.100 1.900 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.26445E-03 ppm1 3.723 ppm2 7.327 CV 1 ASSI { 3126} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 28 and name HN )) 3.000 3.000 3.000 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.26445E-03 ppm1 2.928 ppm2 8.149 CV 1 OR { 3126} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 28 and name HN )) ASSI { 3133} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 51 and name HA )) 5.000 3.100 1.000 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.26005E-03 ppm1 1.938 ppm2 3.129 CV 1 OR { 3133} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 51 and name HA )) ASSI { 3141} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HA )) 4.100 2.100 1.900 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.25869E-03 ppm1 2.248 ppm2 4.325 CV 1 OR { 3141} (( segid " " and resid 9 and name HG3 )) (( segid " " and resid 9 and name HA )) ASSI { 3146} (( segid " " and resid 44 and name HA )) (( segid " " and resid 43 and name HA )) 4.400 2.400 1.600 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.25835E-03 ppm1 3.242 ppm2 5.010 CV 1 ASSI { 3148} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 93 and name HN )) 3.900 1.900 1.900 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.25768E-03 ppm1 2.745 ppm2 8.618 CV 1 ASSI { 3163} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HB3 )) 4.400 2.400 1.600 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.25361E-03 ppm1 5.258 ppm2 3.259 CV 1 ASSI { 3172} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 69 and name HE3 )) 4.900 3.100 1.100 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.25057E-03 ppm1 0.577 ppm2 2.898 CV 1 OR { 3172} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 69 and name HE2 )) ASSI { 3175} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 62 and name HB3 )) 3.900 1.900 1.900 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.24989E-03 ppm1 2.584 ppm2 1.909 CV 1 ASSI { 3189} (( segid " " and resid 35 and name HD3 )) (( segid " " and resid 12 and name HG3 )) 4.100 2.100 1.900 peak 3189 spectrum 1 weight 0.10000E+01 volume 0.24413E-03 ppm1 3.554 ppm2 2.097 CV 1 OR { 3189} (( segid " " and resid 35 and name HD3 )) (( segid " " and resid 12 and name HG2 )) OR { 3189} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 12 and name HG2 )) ASSI { 3235} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HN )) 3.800 1.800 1.800 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.23160E-03 ppm1 4.352 ppm2 7.981 CV 1 ASSI { 3247} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 47 and name HA )) 5.100 3.300 0.900 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.22754E-03 ppm1 2.955 ppm2 3.862 CV 1 OR { 3247} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 47 and name HA )) ASSI { 3252} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 8 and name HA )) 4.700 2.700 1.300 peak 3252 spectrum 1 weight 0.10000E+01 volume 0.22551E-03 ppm1 1.922 ppm2 3.925 CV 1 OR { 3252} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 8 and name HA )) ASSI { 3258} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 93 and name HA2 )) 4.600 2.700 1.400 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.22382E-03 ppm1 1.697 ppm2 4.052 CV 1 ASSI { 3263} (( segid " " and resid 88 and name HA )) (( segid " " and resid 21 and name HG12)) 5.400 3.700 0.600 peak 3263 spectrum 1 weight 0.10000E+01 volume 0.22246E-03 ppm1 5.439 ppm2 1.017 CV 1 ASSI { 3267} (( segid " " and resid 16 and name HD3 )) (( segid " " and resid 40 and name HA )) 4.300 2.400 1.700 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.22178E-03 ppm1 3.578 ppm2 4.271 CV 1 ASSI { 3269} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 32 and name HN )) 5.000 3.200 1.000 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.22145E-03 ppm1 2.334 ppm2 8.302 CV 1 ASSI { 3275} (( segid " " and resid 23 and name HA )) (( segid " " and resid 27 and name HG2 )) 4.500 2.500 1.500 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.22077E-03 ppm1 5.259 ppm2 2.161 CV 1 OR { 3275} (( segid " " and resid 23 and name HA )) (( segid " " and resid 27 and name HB3 )) OR { 3275} (( segid " " and resid 23 and name HA )) (( segid " " and resid 27 and name HG3 )) ASSI { 3276} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 16 and name HG3 )) 4.400 2.400 1.600 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.22077E-03 ppm1 3.811 ppm2 1.968 CV 1 OR { 3276} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 16 and name HG3 )) OR { 3276} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 16 and name HG2 )) ASSI { 3283} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 7 and name HA )) 4.900 3.000 1.100 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.21874E-03 ppm1 1.871 ppm2 4.323 CV 1 ASSI { 3301} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 7 and name HG2 )) 5.300 3.500 0.700 peak 3301 spectrum 1 weight 0.10000E+01 volume 0.21603E-03 ppm1 2.630 ppm2 2.458 CV 1 OR { 3301} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 7 and name HG3 )) OR { 3301} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 7 and name HG2 )) ASSI { 3312} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 28 and name HB3 )) 4.400 2.400 1.600 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.21332E-03 ppm1 2.882 ppm2 1.418 CV 1 OR { 3312} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 28 and name HB2 )) ASSI { 3333} (( segid " " and resid 67 and name HE3 )) (( segid " " and resid 66 and name HN )) 4.500 2.600 1.500 peak 3333 spectrum 1 weight 0.10000E+01 volume 0.20621E-03 ppm1 2.716 ppm2 8.979 CV 1 OR { 3333} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 66 and name HN )) ASSI { 3335} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 24 and name HB2 )) 4.500 2.500 1.500 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.20587E-03 ppm1 2.914 ppm2 2.692 CV 1 OR { 3335} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 24 and name HB2 )) ASSI { 3358} (( segid " " and resid 16 and name HA )) (( segid " " and resid 7 and name HG3 )) 5.600 4.000 0.400 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.19978E-03 ppm1 4.347 ppm2 2.441 CV 1 OR { 3358} (( segid " " and resid 16 and name HA )) (( segid " " and resid 7 and name HG2 )) ASSI { 3362} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 57 and name HA )) 4.300 2.300 1.700 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.19842E-03 ppm1 3.649 ppm2 4.072 CV 1 OR { 3362} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 57 and name HA )) ASSI { 3363} (( segid " " and resid 59 and name HA )) (( segid " " and resid 58 and name HB3 )) 5.500 3.800 0.500 peak 3363 spectrum 1 weight 0.10000E+01 volume 0.19707E-03 ppm1 3.696 ppm2 2.253 CV 1 ASSI { 3369} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 42 and name HG3 )) 4.800 2.900 1.200 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.19605E-03 ppm1 3.758 ppm2 1.799 CV 1 OR { 3369} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 42 and name HG3 )) OR { 3369} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 42 and name HG2 )) OR { 3369} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 42 and name HG2 )) ASSI { 3374} (( segid " " and resid 51 and name HA )) (( segid " " and resid 53 and name HN )) 4.200 2.200 1.800 peak 3374 spectrum 1 weight 0.10000E+01 volume 0.19504E-03 ppm1 3.150 ppm2 7.471 CV 1 ASSI { 3375} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 31 and name HG )) 5.100 3.200 0.900 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.19504E-03 ppm1 1.448 ppm2 0.504 CV 1 ASSI { 3380} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 84 and name HN )) 5.100 3.300 0.900 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.19402E-03 ppm1 1.888 ppm2 7.309 CV 1 OR { 3380} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 84 and name HN )) ASSI { 3381} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 89 and name HN )) 4.800 2.800 1.200 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.19402E-03 ppm1 0.117 ppm2 9.130 CV 1 ASSI { 3392} (( segid " " and resid 57 and name HA )) (( segid " " and resid 56 and name HN )) 5.100 3.300 0.900 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.19063E-03 ppm1 4.028 ppm2 7.696 CV 1 ASSI { 3395} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 81 and name HB2 )) 5.200 3.400 0.800 peak 3395 spectrum 1 weight 0.10000E+01 volume 0.19063E-03 ppm1 1.387 ppm2 1.554 CV 1 ASSI { 3400} (( segid " " and resid 51 and name HA )) (( segid " " and resid 64 and name HB2 )) 5.200 3.400 0.800 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.18894E-03 ppm1 3.145 ppm2 0.904 CV 1 ASSI { 3401} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 24 and name HB2 )) 5.000 3.200 1.000 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.18894E-03 ppm1 2.143 ppm2 2.702 CV 1 ASSI { 3419} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 3.800 1.800 1.800 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.18522E-03 ppm1 5.096 ppm2 8.665 CV 1 ASSI { 3433} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 81 and name HG )) 5.500 3.800 0.500 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.18115E-03 ppm1 2.939 ppm2 0.643 CV 1 OR { 3433} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 81 and name HG )) ASSI { 3440} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 47 and name HN )) 4.800 2.800 1.200 peak 3440 spectrum 1 weight 0.10000E+01 volume 0.17912E-03 ppm1 1.544 ppm2 6.931 CV 1 ASSI { 3442} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 80 and name HA )) 4.800 2.900 1.200 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.17878E-03 ppm1 2.928 ppm2 4.115 CV 1 OR { 3442} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 80 and name HA )) ASSI { 3450} (( segid " " and resid 10 and name HB )) (( segid " " and resid 32 and name HB3 )) 5.700 4.000 0.300 peak 3450 spectrum 1 weight 0.10000E+01 volume 0.17743E-03 ppm1 4.012 ppm2 1.482 CV 1 ASSI { 3457} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 67 and name HN )) 4.100 2.100 1.900 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.17641E-03 ppm1 0.621 ppm2 9.019 CV 1 ASSI { 3459} (( segid " " and resid 3 and name HD2 )) (( segid " " and resid 88 and name HD2 )) 4.100 2.100 1.900 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.17574E-03 ppm1 1.540 ppm2 3.105 CV 1 OR { 3459} (( segid " " and resid 3 and name HD2 )) (( segid " " and resid 88 and name HD3 )) OR { 3459} (( segid " " and resid 3 and name HD3 )) (( segid " " and resid 88 and name HD2 )) ASSI { 3460} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 91 and name HB2 )) 3.200 3.200 2.800 peak 3460 spectrum 1 weight 0.10000E+01 volume 0.17574E-03 ppm1 2.845 ppm2 0.768 CV 1 OR { 3460} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 91 and name HB2 )) ASSI { 3472} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 67 and name HB2 )) 5.300 3.500 0.700 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.17404E-03 ppm1 1.146 ppm2 1.054 CV 1 ASSI { 3475} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 58 and name HB2 )) 5.100 3.200 0.900 peak 3475 spectrum 1 weight 0.10000E+01 volume 0.17269E-03 ppm1 2.578 ppm2 1.659 CV 1 ASSI { 3483} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 64 and name HB2 )) 4.700 2.800 1.300 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.17100E-03 ppm1 0.787 ppm2 0.897 CV 1 ASSI { 3503} (( segid " " and resid 63 and name HA )) (( segid " " and resid 65 and name HG12)) 4.600 2.700 1.400 peak 3503 spectrum 1 weight 0.10000E+01 volume 0.16829E-03 ppm1 4.364 ppm2 0.915 CV 1 ASSI { 3506} (( segid " " and resid 95 and name HG3 )) (( segid " " and resid 94 and name HN )) 4.800 2.900 1.200 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.16761E-03 ppm1 1.306 ppm2 8.299 CV 1 OR { 3506} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 94 and name HN )) ASSI { 3523} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HN )) 4.700 2.800 1.300 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.16253E-03 ppm1 4.157 ppm2 8.523 CV 1 ASSI { 3528} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 75 and name HG3 )) 4.400 2.500 1.600 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.16151E-03 ppm1 1.769 ppm2 2.134 CV 1 OR { 3528} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 75 and name HG2 )) ASSI { 3531} (( segid " " and resid 7 and name HA )) (( segid " " and resid 18 and name HB2 )) 6.000 4.400 0.000 peak 3531 spectrum 1 weight 0.10000E+01 volume 0.16050E-03 ppm1 4.346 ppm2 1.068 CV 1 ASSI { 3550} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 62 and name HE21)) 5.300 3.500 0.700 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.15643E-03 ppm1 2.268 ppm2 6.740 CV 1 ASSI { 3565} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HG2 )) 5.900 4.400 0.100 peak 3565 spectrum 1 weight 0.10000E+01 volume 0.15339E-03 ppm1 4.750 ppm2 1.319 CV 1 OR { 3565} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HG3 )) ASSI { 3575} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 63 and name HN )) 5.600 3.900 0.400 peak 3575 spectrum 1 weight 0.10000E+01 volume 0.15169E-03 ppm1 1.914 ppm2 8.009 CV 1 ASSI { 3578} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 85 and name HB3 )) 5.400 3.600 0.600 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.15102E-03 ppm1 1.915 ppm2 2.584 CV 1 OR { 3578} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 85 and name HB3 )) OR { 3578} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 85 and name HB2 )) OR { 3578} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 85 and name HB2 )) ASSI { 3584} (( segid " " and resid 54 and name HA )) (( segid " " and resid 51 and name HA )) 5.500 3.800 0.500 peak 3584 spectrum 1 weight 0.10000E+01 volume 0.15068E-03 ppm1 4.072 ppm2 3.130 CV 1 ASSI { 3590} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 29 and name HB2 )) 5.400 3.600 0.600 peak 3590 spectrum 1 weight 0.10000E+01 volume 0.14966E-03 ppm1 2.940 ppm2 2.643 CV 1 OR { 3590} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 29 and name HB2 )) OR { 3590} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 29 and name HB3 )) OR { 3590} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 29 and name HB3 )) ASSI { 3598} (( segid " " and resid 8 and name HB )) (( segid " " and resid 8 and name HN )) 4.500 2.500 1.500 peak 3598 spectrum 1 weight 0.10000E+01 volume 0.14865E-03 ppm1 1.910 ppm2 7.992 CV 1 ASSI { 3613} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 69 and name HA )) 5.200 3.400 0.800 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.14526E-03 ppm1 2.947 ppm2 4.517 CV 1 OR { 3613} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 69 and name HA )) ASSI { 3618} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 67 and name HG2 )) 5.700 4.100 0.300 peak 3618 spectrum 1 weight 0.10000E+01 volume 0.14492E-03 ppm1 1.282 ppm2 0.097 CV 1 OR { 3618} (( segid " " and resid 69 and name HG3 )) (( segid " " and resid 67 and name HG2 )) ASSI { 3621} (( segid " " and resid 42 and name HG2 )) (( segid " " and resid 84 and name HN )) 4.700 2.800 1.300 peak 3621 spectrum 1 weight 0.10000E+01 volume 0.14424E-03 ppm1 1.759 ppm2 7.332 CV 1 OR { 3621} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 84 and name HN )) ASSI { 3644} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HN )) 4.400 2.400 1.600 peak 3644 spectrum 1 weight 0.10000E+01 volume 0.14154E-03 ppm1 1.556 ppm2 7.158 CV 1 ASSI { 3654} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 49 and name HG2 )) 5.600 3.900 0.400 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.14052E-03 ppm1 2.712 ppm2 2.366 CV 1 ASSI { 3680} (( segid " " and resid 33 and name HA )) (( segid " " and resid 18 and name HB3 )) 5.200 3.400 0.800 peak 3680 spectrum 1 weight 0.10000E+01 volume 0.13612E-03 ppm1 3.800 ppm2 1.344 CV 1 ASSI { 3681} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 17 and name HD3 )) 3.400 3.400 2.600 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.13612E-03 ppm1 2.632 ppm2 2.961 CV 1 OR { 3681} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 17 and name HD3 )) OR { 3681} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 17 and name HD2 )) ASSI { 3698} (( segid " " and resid 53 and name HG3 )) (( segid " " and resid 31 and name HB2 )) 6.000 4.700 0.000 peak 3698 spectrum 1 weight 0.10000E+01 volume 0.13240E-03 ppm1 2.282 ppm2 1.109 CV 1 ASSI { 3720} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 66 and name HA )) 5.600 3.900 0.400 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.12935E-03 ppm1 1.553 ppm2 5.102 CV 1 ASSI { 3722} (( segid " " and resid 50 and name HG )) (( segid " " and resid 51 and name HB )) 5.800 4.100 0.200 peak 3722 spectrum 1 weight 0.10000E+01 volume 0.12867E-03 ppm1 0.946 ppm2 2.207 CV 1 ASSI { 3728} (( segid " " and resid 7 and name HA )) (( segid " " and resid 19 and name HN )) 5.900 4.400 0.100 peak 3728 spectrum 1 weight 0.10000E+01 volume 0.12799E-03 ppm1 4.317 ppm2 8.784 CV 1 ASSI { 3732} (( segid " " and resid 11 and name HA )) (( segid " " and resid 17 and name HN )) 4.200 2.200 1.800 peak 3732 spectrum 1 weight 0.10000E+01 volume 0.12732E-03 ppm1 4.207 ppm2 7.822 CV 1 ASSI { 3737} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 37 and name HB3 )) 5.000 3.100 1.000 peak 3737 spectrum 1 weight 0.10000E+01 volume 0.12664E-03 ppm1 3.820 ppm2 1.997 CV 1 OR { 3737} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 37 and name HB3 )) ASSI { 3765} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 51 and name HA )) 4.800 2.900 1.200 peak 3765 spectrum 1 weight 0.10000E+01 volume 0.12190E-03 ppm1 1.493 ppm2 3.175 CV 1 ASSI { 3775} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 69 and name HA )) 5.600 4.000 0.400 peak 3775 spectrum 1 weight 0.10000E+01 volume 0.12054E-03 ppm1 1.820 ppm2 4.532 CV 1 OR { 3775} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 69 and name HA )) ASSI { 3777} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 8 and name HA )) 6.000 5.900 0.000 peak 3777 spectrum 1 weight 0.10000E+01 volume 0.11987E-03 ppm1 1.816 ppm2 3.936 CV 1 ASSI { 3782} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 9 and name HG2 )) 4.600 2.600 1.400 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.11919E-03 ppm1 2.640 ppm2 2.260 CV 1 OR { 3782} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 9 and name HG3 )) OR { 3782} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 9 and name HG2 )) ASSI { 3797} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 91 and name HG )) 4.500 2.500 1.500 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.11682E-03 ppm1 1.244 ppm2 0.542 CV 1 OR { 3797} (( segid " " and resid 95 and name HG3 )) (( segid " " and resid 91 and name HG )) ASSI { 3820} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HA )) 4.900 3.000 1.100 peak 3820 spectrum 1 weight 0.10000E+01 volume 0.11275E-03 ppm1 3.968 ppm2 4.281 CV 1 ASSI { 3897} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 32 and name HN )) 6.000 4.700 0.000 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.10260E-03 ppm1 2.438 ppm2 8.309 CV 1 ASSI { 3900} (( segid " " and resid 7 and name HA )) (( segid " " and resid 18 and name HG )) 4.700 2.700 1.300 peak 3900 spectrum 1 weight 0.10000E+01 volume 0.10192E-03 ppm1 4.344 ppm2 0.401 CV 1 ASSI { 3916} (( segid " " and resid 31 and name HG )) (( segid " " and resid 95 and name HE2 )) 5.600 4.000 0.400 peak 3916 spectrum 1 weight 0.10000E+01 volume 0.99212E-04 ppm1 0.467 ppm2 2.864 CV 1 OR { 3916} (( segid " " and resid 31 and name HG )) (( segid " " and resid 95 and name HE3 )) ASSI { 3953} (( segid " " and resid 50 and name HA )) (( segid " " and resid 31 and name HB2 )) 5.700 4.000 0.300 peak 3953 spectrum 1 weight 0.10000E+01 volume 0.95484E-04 ppm1 4.087 ppm2 1.063 CV 1 ASSI { 3954} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 78 and name HG )) 5.900 4.300 0.100 peak 3954 spectrum 1 weight 0.10000E+01 volume 0.95484E-04 ppm1 2.933 ppm2 1.216 CV 1 OR { 3954} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 78 and name HG )) ASSI { 4039} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 84 and name HN )) 6.000 4.600 0.000 peak 4039 spectrum 1 weight 0.10000E+01 volume 0.87360E-04 ppm1 1.876 ppm2 7.304 CV 1 OR { 4039} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 84 and name HN )) ASSI { 4061} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 42 and name HA )) 4.400 2.400 1.600 peak 4061 spectrum 1 weight 0.10000E+01 volume 0.84988E-04 ppm1 1.872 ppm2 4.658 CV 1 ASSI { 4065} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 53 and name HG3 )) 6.000 4.600 0.000 peak 4065 spectrum 1 weight 0.10000E+01 volume 0.84310E-04 ppm1 2.644 ppm2 2.318 CV 1 OR { 4065} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 53 and name HG3 )) ASSI { 4067} (( segid " " and resid 59 and name HA )) (( segid " " and resid 52 and name HB2 )) 4.800 2.900 1.200 peak 4067 spectrum 1 weight 0.10000E+01 volume 0.83975E-04 ppm1 3.707 ppm2 1.705 CV 1 ASSI { 4068} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 18 and name HG )) 6.000 5.900 0.000 peak 4068 spectrum 1 weight 0.10000E+01 volume 0.83975E-04 ppm1 1.816 ppm2 0.355 CV 1 ASSI { 4100} (( segid " " and resid 3 and name HD3 )) (( segid " " and resid 86 and name HA1 )) 5.700 4.000 0.300 peak 4100 spectrum 1 weight 0.10000E+01 volume 0.81265E-04 ppm1 1.534 ppm2 3.457 CV 1 OR { 4100} (( segid " " and resid 3 and name HD2 )) (( segid " " and resid 86 and name HA1 )) ASSI { 4106} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 62 and name HG3 )) 3.700 3.700 2.300 peak 4106 spectrum 1 weight 0.10000E+01 volume 0.80926E-04 ppm1 2.945 ppm2 2.510 CV 1 OR { 4106} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 62 and name HG3 )) OR { 4106} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 62 and name HG2 )) OR { 4106} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 62 and name HG2 )) ASSI { 4113} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 85 and name HA )) 6.000 4.700 0.000 peak 4113 spectrum 1 weight 0.10000E+01 volume 0.80248E-04 ppm1 1.912 ppm2 4.803 CV 1 OR { 4113} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 85 and name HA )) ASSI { 4114} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 19 and name HA )) 5.800 4.200 0.200 peak 4114 spectrum 1 weight 0.10000E+01 volume 0.80248E-04 ppm1 1.904 ppm2 5.088 CV 1 ASSI { 4133} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 19 and name HN )) 4.100 2.100 1.900 peak 4133 spectrum 1 weight 0.10000E+01 volume 0.78558E-04 ppm1 1.821 ppm2 8.824 CV 1 ASSI { 4136} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 86 and name HA1 )) 5.500 3.800 0.500 peak 4136 spectrum 1 weight 0.10000E+01 volume 0.78558E-04 ppm1 2.852 ppm2 3.480 CV 1 OR { 4136} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 86 and name HA1 )) ASSI { 4160} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 25 and name HN )) 3.700 3.700 2.300 peak 4160 spectrum 1 weight 0.10000E+01 volume 0.76525E-04 ppm1 2.867 ppm2 9.385 CV 1 OR { 4160} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 25 and name HN )) ASSI { 4202} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 69 and name HN )) 6.000 4.500 0.000 peak 4202 spectrum 1 weight 0.10000E+01 volume 0.71785E-04 ppm1 2.939 ppm2 7.730 CV 1 OR { 4202} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 69 and name HN )) ASSI { 4209} (( segid " " and resid 3 and name HB3 )) (( segid " " and resid 4 and name HN )) 5.300 3.500 0.700 peak 4209 spectrum 1 weight 0.10000E+01 volume 0.71446E-04 ppm1 1.677 ppm2 8.046 CV 1 OR { 4209} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 4 and name HN )) ASSI { 4245} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 51 and name HA )) 6.000 4.600 0.000 peak 4245 spectrum 1 weight 0.10000E+01 volume 0.67722E-04 ppm1 2.906 ppm2 3.145 CV 1 OR { 4245} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 51 and name HA )) ASSI { 4247} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 7 and name HG2 )) 6.000 4.400 0.000 peak 4247 spectrum 1 weight 0.10000E+01 volume 0.67722E-04 ppm1 2.818 ppm2 2.403 CV 1 OR { 4247} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 7 and name HG2 )) OR { 4247} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 7 and name HG3 )) OR { 4247} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 7 and name HG3 )) ASSI { 4252} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 84 and name HA )) 5.400 3.600 0.600 peak 4252 spectrum 1 weight 0.10000E+01 volume 0.67384E-04 ppm1 3.791 ppm2 4.428 CV 1 OR { 4252} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 84 and name HA )) ASSI { 4259} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 39 and name HB2 )) 3.900 1.900 1.900 peak 4259 spectrum 1 weight 0.10000E+01 volume 0.66706E-04 ppm1 3.782 ppm2 2.857 CV 1 OR { 4259} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 39 and name HB3 )) OR { 4259} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 39 and name HB2 )) OR { 4259} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 39 and name HB3 )) ASSI { 4271} (( segid " " and resid 27 and name HG3 )) (( segid " " and resid 26 and name HB2 )) 3.900 1.900 1.900 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.65689E-04 ppm1 2.223 ppm2 2.798 CV 1 OR { 4271} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 26 and name HB2 )) OR { 4271} (( segid " " and resid 27 and name HG3 )) (( segid " " and resid 26 and name HB3 )) OR { 4271} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 26 and name HB3 )) ASSI { 4275} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 87 and name HA )) 5.100 3.300 0.900 peak 4275 spectrum 1 weight 0.10000E+01 volume 0.65351E-04 ppm1 1.815 ppm2 4.642 CV 1 ASSI { 4287} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HG3 )) 5.900 4.400 0.100 peak 4287 spectrum 1 weight 0.10000E+01 volume 0.64334E-04 ppm1 3.974 ppm2 2.431 CV 1 OR { 4287} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HG2 )) ASSI { 4296} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 35 and name HA )) 6.000 5.300 0.000 peak 4296 spectrum 1 weight 0.10000E+01 volume 0.63995E-04 ppm1 1.894 ppm2 4.395 CV 1 ASSI { 4301} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 88 and name HD2 )) 5.500 3.800 0.500 peak 4301 spectrum 1 weight 0.10000E+01 volume 0.63317E-04 ppm1 2.848 ppm2 3.062 CV 1 OR { 4301} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 88 and name HD3 )) OR { 4301} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 88 and name HD2 )) ASSI { 4377} (( segid " " and resid 75 and name HA )) (( segid " " and resid 44 and name HA )) 6.000 4.700 0.000 peak 4377 spectrum 1 weight 0.10000E+01 volume 0.58239E-04 ppm1 4.180 ppm2 3.241 CV 1 ASSI { 4394} (( segid " " and resid 94 and name HG3 )) (( segid " " and resid 96 and name HN )) 5.300 3.500 0.700 peak 4394 spectrum 1 weight 0.10000E+01 volume 0.57222E-04 ppm1 2.084 ppm2 7.881 CV 1 OR { 4394} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 96 and name HN )) ASSI { 4463} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 26 and name HN )) 4.000 2.000 2.000 peak 4463 spectrum 1 weight 0.10000E+01 volume 0.52821E-04 ppm1 1.962 ppm2 8.406 CV 1 OR { 4463} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 26 and name HN )) ASSI { 4554} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 81 and name HA )) 4.800 2.900 1.200 peak 4554 spectrum 1 weight 0.10000E+01 volume 0.46726E-04 ppm1 2.943 ppm2 4.237 CV 1 OR { 4554} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 81 and name HA )) ASSI { 4568} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 84 and name HN )) 6.000 5.100 0.000 peak 4568 spectrum 1 weight 0.10000E+01 volume 0.45713E-04 ppm1 3.779 ppm2 7.322 CV 1 OR { 4568} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 84 and name HN )) ASSI { 4585} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 85 and name HN )) 6.000 6.000 0.000 peak 4585 spectrum 1 weight 0.10000E+01 volume 0.44019E-04 ppm1 1.919 ppm2 8.612 CV 1 OR { 4585} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 85 and name HN )) ASSI { 4612} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 88 and name HA )) 5.700 4.100 0.300 peak 4612 spectrum 1 weight 0.10000E+01 volume 0.43002E-04 ppm1 2.866 ppm2 5.409 CV 1 OR { 4612} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 88 and name HA )) ASSI { 4615} (( segid " " and resid 33 and name HB )) (( segid " " and resid 84 and name HN )) 6.000 4.900 0.000 peak 4615 spectrum 1 weight 0.10000E+01 volume 0.42663E-04 ppm1 1.931 ppm2 7.311 CV 1 ASSI { 4617} (( segid " " and resid 60 and name HD3 )) (( segid " " and resid 61 and name HN )) 6.000 5.000 0.000 peak 4617 spectrum 1 weight 0.10000E+01 volume 0.42663E-04 ppm1 3.577 ppm2 7.814 CV 1 ASSI { 4634} (( segid " " and resid 33 and name HB )) (( segid " " and resid 39 and name HA )) 6.000 4.600 0.000 peak 4634 spectrum 1 weight 0.10000E+01 volume 0.41647E-04 ppm1 1.883 ppm2 4.828 CV 1 ASSI { 4637} (( segid " " and resid 9 and name HA )) (( segid " " and resid 17 and name HG2 )) 5.500 3.700 0.500 peak 4637 spectrum 1 weight 0.10000E+01 volume 0.41647E-04 ppm1 4.300 ppm2 1.429 CV 1 OR { 4637} (( segid " " and resid 9 and name HA )) (( segid " " and resid 17 and name HG3 )) ASSI { 4671} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 70 and name HA )) 4.100 2.100 1.900 peak 4671 spectrum 1 weight 0.10000E+01 volume 0.39618E-04 ppm1 1.808 ppm2 4.788 CV 1 OR { 4671} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 70 and name HA )) ASSI { 4727} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 41 and name HN )) 6.000 4.900 0.000 peak 4727 spectrum 1 weight 0.10000E+01 volume 0.35892E-04 ppm1 1.930 ppm2 7.524 CV 1 OR { 4727} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 41 and name HN )) ASSI { 4750} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 78 and name HA )) 6.000 4.900 0.000 peak 4750 spectrum 1 weight 0.10000E+01 volume 0.34876E-04 ppm1 2.887 ppm2 3.731 CV 1 OR { 4750} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 78 and name HA )) ASSI { 4771} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 19 and name HN )) 6.000 6.000 0.000 peak 4771 spectrum 1 weight 0.10000E+01 volume 0.33251E-04 ppm1 1.811 ppm2 8.775 CV 1 ASSI { 4791} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 18 and name HA )) 6.000 6.000 0.000 peak 4791 spectrum 1 weight 0.10000E+01 volume 0.31930E-04 ppm1 1.888 ppm2 4.690 CV 1 OR { 4791} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 18 and name HA )) ASSI { 4830} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 29 and name HB2 )) 6.000 4.500 0.000 peak 4830 spectrum 1 weight 0.10000E+01 volume 0.29966E-04 ppm1 2.183 ppm2 2.611 CV 1 OR { 4830} (( segid " " and resid 27 and name HG3 )) (( segid " " and resid 29 and name HB2 )) OR { 4830} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 29 and name HB3 )) OR { 4830} (( segid " " and resid 27 and name HG3 )) (( segid " " and resid 29 and name HB3 )) ASSI { 4833} (( segid " " and resid 95 and name HD3 )) (( segid " " and resid 95 and name HA )) 6.000 6.000 0.000 peak 4833 spectrum 1 weight 0.10000E+01 volume 0.29831E-04 ppm1 1.551 ppm2 3.951 CV 1 OR { 4833} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 95 and name HA )) ASSI { 4917} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 57 and name HN )) 4.500 2.500 1.500 peak 4917 spectrum 1 weight 0.10000E+01 volume 0.24346E-04 ppm1 3.673 ppm2 7.607 CV 1 OR { 4917} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 57 and name HN )) ASSI { 4919} (( segid " " and resid 4 and name HA )) (( segid " " and resid 88 and name HD2 )) 6.000 5.600 0.000 peak 4919 spectrum 1 weight 0.10000E+01 volume 0.24312E-04 ppm1 4.207 ppm2 3.073 CV 1 OR { 4919} (( segid " " and resid 4 and name HA )) (( segid " " and resid 88 and name HD3 )) ASSI { 4947} (( segid " " and resid 53 and name HB3 )) (( segid " " and resid 31 and name HA )) 6.000 6.000 0.000 peak 4947 spectrum 1 weight 0.10000E+01 volume 0.22517E-04 ppm1 1.932 ppm2 4.580 CV 1 OR { 4947} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 31 and name HA )) ASSI { 4986} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 62 and name HE22)) 6.000 6.000 0.000 peak 4986 spectrum 1 weight 0.10000E+01 volume 0.20723E-04 ppm1 2.204 ppm2 6.464 CV 1 ASSI { 5008} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 62 and name HG3 )) 4.700 2.700 1.300 peak 5008 spectrum 1 weight 0.10000E+01 volume 0.19165E-04 ppm1 2.897 ppm2 2.524 CV 1 OR { 5008} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 62 and name HG3 )) OR { 5008} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 62 and name HG2 )) ASSI { 5034} (( segid " " and resid 21 and name HG13)) (( segid " " and resid 87 and name HB3 )) 6.000 6.000 0.000 peak 5034 spectrum 1 weight 0.10000E+01 volume 0.17844E-04 ppm1 1.298 ppm2 3.341 CV 1 ASSI { 5043} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 39 and name HA )) 6.000 6.000 0.000 peak 5043 spectrum 1 weight 0.10000E+01 volume 0.17269E-04 ppm1 1.921 ppm2 4.808 CV 1 OR { 5043} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 39 and name HA )) ASSI { 5062} (( segid " " and resid 3 and name HE3 )) (( segid " " and resid 4 and name HN )) 6.000 6.000 0.000 peak 5062 spectrum 1 weight 0.10000E+01 volume 0.15847E-04 ppm1 2.869 ppm2 8.078 CV 1 OR { 5062} (( segid " " and resid 3 and name HE2 )) (( segid " " and resid 4 and name HN )) ASSI { 5066} (( segid " " and resid 9 and name HA )) (( segid " " and resid 85 and name HB2 )) 6.000 6.000 0.000 peak 5066 spectrum 1 weight 0.10000E+01 volume 0.15677E-04 ppm1 4.256 ppm2 2.633 CV 1 OR { 5066} (( segid " " and resid 9 and name HA )) (( segid " " and resid 85 and name HB3 )) ASSI { 5201} (( segid " " and resid 69 and name HE3 )) (( segid " " and resid 44 and name HA )) 6.000 6.000 0.000 peak 5201 spectrum 1 weight 0.10000E+01 volume 0.76525E-05 ppm1 2.960 ppm2 3.189 CV 1 OR { 5201} (( segid " " and resid 69 and name HE2 )) (( segid " " and resid 44 and name HA )) ASSI { 5214} (( segid " " and resid 86 and name HA1 )) (( segid " " and resid 87 and name HB3 )) 6.000 6.000 0.000 peak 5214 spectrum 1 weight 0.10000E+01 volume 0.69752E-05 ppm1 3.425 ppm2 3.327 CV 1 ASSI { 5226} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 96 and name HN )) 6.000 6.000 0.000 peak 5226 spectrum 1 weight 0.10000E+01 volume 0.64673E-05 ppm1 1.302 ppm2 7.900 CV 1 OR { 5226} (( segid " " and resid 95 and name HG3 )) (( segid " " and resid 96 and name HN )) ASSI { 5232} (( segid " " and resid 95 and name HE3 )) (( segid " " and resid 24 and name HB3 )) 6.000 6.000 0.000 peak 5232 spectrum 1 weight 0.10000E+01 volume 0.60611E-05 ppm1 2.907 ppm2 3.265 CV 1 OR { 5232} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 24 and name HB3 )) ASSI { 5258} (( segid " " and resid 21 and name HG13)) (( segid " " and resid 30 and name HA )) 6.000 6.000 0.000 peak 5258 spectrum 1 weight 0.10000E+01 volume 0.40634E-05 ppm1 1.320 ppm2 4.876 CV 1 ASSI { 5292} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 14 and name HA )) 6.000 6.000 0.000 peak 5292 spectrum 1 weight 0.10000E+01 volume 0.21400E-05 ppm1 1.797 ppm2 4.222 CV 1 ASSI { 5328} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 31 and name HB2 )) 6.000 6.000 0.000 peak 5328 spectrum 1 weight 0.10000E+01 volume 0.40295E-06 ppm1 2.959 ppm2 1.050 CV 1 OR { 5328} (( segid " " and resid 28 and name HD3 )) (( segid " " and resid 31 and name HB2 ))
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