NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
15061 | 1xfq | 6322 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! Unambiguous restraints from final ARIA run ! ========================================== ASSI { 2} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 119 and name HZ2 )) 2.200 0.600 0.600 peak 2 spectrum 1 weight 0.11000E+01 volume 0.37422E-02 ppm1 10.367 ppm2 7.320 CV 1 ASSI { 5} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 32 and name HE22)) 4.100 2.100 1.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.16363E-03 ppm1 10.367 ppm2 6.639 CV 1 ASSI { 7} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 112 and name HA )) 2.200 0.600 0.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.57524E-03 ppm1 10.367 ppm2 4.450 CV 1 ASSI { 8} (( segid " " and resid 119 and name HE1 )) ( segid " " and resid 112 and name HB% ) 1.900 0.500 0.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.23066E-02 ppm1 10.367 ppm2 1.459 CV 1 ASSI { 9} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.500 1.500 1.500 peak 9 spectrum 1 weight 0.11000E+01 volume 0.33030E-02 ppm1 9.652 ppm2 1.697 CV 1 ASSI { 10} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG1 )) 4.300 2.400 1.700 peak 10 spectrum 1 weight 0.11000E+01 volume 0.40114E-03 ppm1 9.652 ppm2 1.323 CV 1 ASSI { 11} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG2 )) 5.200 3.400 0.800 peak 11 spectrum 1 weight 0.11000E+01 volume 0.39350E-03 ppm1 9.652 ppm2 1.219 CV 1 ASSI { 14} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA )) 1.800 0.400 0.400 peak 14 spectrum 1 weight 0.11000E+01 volume 0.58441E-02 ppm1 9.652 ppm2 4.387 CV 1 ASSI { 21} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.700 0.900 0.900 peak 21 spectrum 1 weight 0.11000E+01 volume 0.12506E-02 ppm1 9.575 ppm2 4.342 CV 1 ASSI { 24} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 1.500 0.300 0.700 peak 24 spectrum 1 weight 0.11000E+01 volume 0.44803E-02 ppm1 9.574 ppm2 4.018 CV 1 ASSI { 32} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 1.500 0.300 0.700 peak 32 spectrum 1 weight 0.11000E+01 volume 0.53922E-02 ppm1 9.549 ppm2 5.829 CV 1 ASSI { 33} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 33 spectrum 1 weight 0.11000E+01 volume 0.10832E-02 ppm1 9.549 ppm2 5.178 CV 1 ASSI { 34} (( segid " " and resid 110 and name HN )) (( segid " " and resid 120 and name HA )) 4.700 2.800 1.300 peak 34 spectrum 1 weight 0.11000E+01 volume 0.19878E-03 ppm1 9.549 ppm2 4.796 CV 1 ASSI { 38} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 2.500 0.800 0.800 peak 38 spectrum 1 weight 0.11000E+01 volume 0.93100E-03 ppm1 9.448 ppm2 5.455 CV 1 ASSI { 39} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 1.500 0.300 0.700 peak 39 spectrum 1 weight 0.11000E+01 volume 0.41462E-02 ppm1 9.448 ppm2 4.075 CV 1 ASSI { 43} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HG1 )) 3.800 1.800 1.800 peak 43 spectrum 1 weight 0.11000E+01 volume 0.13346E-02 ppm1 9.450 ppm2 0.726 CV 1 OR { 43} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HG2 )) ASSI { 44} (( segid " " and resid 33 and name HN )) (( segid " " and resid 119 and name HA )) 2.000 0.500 0.500 peak 44 spectrum 1 weight 0.11000E+01 volume 0.21080E-02 ppm1 9.448 ppm2 5.138 CV 1 ASSI { 48} (( segid " " and resid 121 and name HN )) ( segid " " and resid 121 and name HD% ) 2.600 0.800 0.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.13106E-02 ppm1 9.434 ppm2 7.246 CV 1 ASSI { 49} (( segid " " and resid 121 and name HN )) (( segid " " and resid 109 and name HA )) 2.500 0.800 0.800 peak 49 spectrum 1 weight 0.11000E+01 volume 0.11349E-02 ppm1 9.434 ppm2 5.829 CV 1 ASSI { 50} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) 2.700 0.900 0.900 peak 50 spectrum 1 weight 0.11000E+01 volume 0.96345E-03 ppm1 9.434 ppm2 5.510 CV 1 ASSI { 53} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 1.700 0.300 0.500 peak 53 spectrum 1 weight 0.11000E+01 volume 0.22912E-02 ppm1 9.433 ppm2 4.796 CV 1 ASSI { 55} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB1 )) 3.300 1.300 1.300 peak 55 spectrum 1 weight 0.11000E+01 volume 0.12761E-02 ppm1 9.434 ppm2 3.201 CV 1 ASSI { 59} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 2.500 0.800 0.800 peak 59 spectrum 1 weight 0.11000E+01 volume 0.13790E-02 ppm1 9.400 ppm2 5.829 CV 1 ASSI { 61} (( segid " " and resid 109 and name HN )) ( segid " " and resid 90 and name HG2%) 3.300 3.300 2.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.61491E-03 ppm1 9.400 ppm2 1.231 CV 1 ASSI { 70} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) 1.500 0.300 0.700 peak 70 spectrum 1 weight 0.11000E+01 volume 0.25743E-02 ppm1 9.388 ppm2 4.869 CV 1 ASSI { 71} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB1 )) 2.800 1.000 1.000 peak 71 spectrum 1 weight 0.11000E+01 volume 0.13646E-02 ppm1 9.388 ppm2 2.741 CV 1 ASSI { 72} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 1.800 0.400 0.400 peak 72 spectrum 1 weight 0.11000E+01 volume 0.15333E-02 ppm1 9.391 ppm2 2.582 CV 1 ASSI { 76} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB1 )) 1.700 0.400 0.500 peak 76 spectrum 1 weight 0.11000E+01 volume 0.19969E-02 ppm1 9.381 ppm2 2.741 CV 1 ASSI { 77} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.000 1.100 1.100 peak 77 spectrum 1 weight 0.11000E+01 volume 0.10072E-02 ppm1 9.381 ppm2 2.582 CV 1 ASSI { 80} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 1.400 0.300 0.800 peak 80 spectrum 1 weight 0.11000E+01 volume 0.55802E-02 ppm1 9.381 ppm2 5.139 CV 1 ASSI { 81} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB )) 2.000 0.500 0.500 peak 81 spectrum 1 weight 0.11000E+01 volume 0.20086E-02 ppm1 9.381 ppm2 1.552 CV 1 ASSI { 86} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB )) 3.600 1.600 1.600 peak 86 spectrum 1 weight 0.11000E+01 volume 0.13292E-02 ppm1 9.240 ppm2 3.752 CV 1 ASSI { 89} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.600 0.800 0.800 peak 89 spectrum 1 weight 0.11000E+01 volume 0.10381E-02 ppm1 9.286 ppm2 4.561 CV 1 ASSI { 90} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HB% ) 3.600 1.600 1.600 peak 90 spectrum 1 weight 0.11000E+01 volume 0.13330E-02 ppm1 9.286 ppm2 1.549 CV 1 ASSI { 91} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB )) 2.800 1.000 1.000 peak 91 spectrum 1 weight 0.11000E+01 volume 0.96433E-03 ppm1 9.286 ppm2 1.401 CV 1 ASSI { 95} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 4.300 2.300 1.700 peak 95 spectrum 1 weight 0.11000E+01 volume 0.73495E-03 ppm1 9.256 ppm2 8.914 CV 1 ASSI { 96} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.200 0.600 0.600 peak 96 spectrum 1 weight 0.11000E+01 volume 0.49102E-02 ppm1 9.255 ppm2 5.263 CV 1 ASSI { 115} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 1.900 0.400 0.400 peak 115 spectrum 1 weight 0.11000E+01 volume 0.70433E-02 ppm1 9.239 ppm2 5.000 CV 1 ASSI { 116} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.700 0.900 0.900 peak 116 spectrum 1 weight 0.11000E+01 volume 0.23564E-02 ppm1 9.241 ppm2 3.752 CV 1 ASSI { 117} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB1 )) 4.600 2.600 1.400 peak 117 spectrum 1 weight 0.11000E+01 volume 0.16046E-02 ppm1 9.239 ppm2 2.752 CV 1 ASSI { 118} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB2 )) 4.700 2.800 1.300 peak 118 spectrum 1 weight 0.11000E+01 volume 0.54807E-03 ppm1 9.240 ppm2 2.164 CV 1 OR { 118} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB1 )) ASSI { 125} (( segid " " and resid 108 and name HN )) ( segid " " and resid 107 and name HG2%) 4.600 2.600 1.400 peak 125 spectrum 1 weight 0.11000E+01 volume 0.92003E-03 ppm1 9.216 ppm2 0.639 CV 1 ASSI { 126} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 2.900 1.000 1.000 peak 126 spectrum 1 weight 0.11000E+01 volume 0.68728E-03 ppm1 9.216 ppm2 5.746 CV 1 ASSI { 128} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB1 )) 2.900 1.100 1.100 peak 128 spectrum 1 weight 0.11000E+01 volume 0.84236E-03 ppm1 9.216 ppm2 3.450 CV 1 ASSI { 130} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB2 )) 3.000 1.200 1.200 peak 130 spectrum 1 weight 0.11000E+01 volume 0.12170E-02 ppm1 9.216 ppm2 3.078 CV 1 ASSI { 132} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 2.400 0.700 0.700 peak 132 spectrum 1 weight 0.11000E+01 volume 0.47610E-02 ppm1 9.211 ppm2 5.002 CV 1 ASSI { 133} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB1 )) 4.900 3.000 1.100 peak 133 spectrum 1 weight 0.11000E+01 volume 0.32661E-03 ppm1 9.211 ppm2 3.299 CV 1 ASSI { 134} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) 4.200 2.200 1.800 peak 134 spectrum 1 weight 0.11000E+01 volume 0.46239E-03 ppm1 9.211 ppm2 3.166 CV 1 ASSI { 144} (( segid " " and resid 90 and name HN )) (( segid " " and resid 110 and name HA )) 3.100 1.200 1.200 peak 144 spectrum 1 weight 0.11000E+01 volume 0.17693E-02 ppm1 9.138 ppm2 5.177 CV 1 ASSI { 145} (( segid " " and resid 90 and name HN )) (( segid " " and resid 109 and name HN )) 2.400 0.700 0.700 peak 145 spectrum 1 weight 0.11000E+01 volume 0.18258E-02 ppm1 9.138 ppm2 9.397 CV 1 ASSI { 151} (( segid " " and resid 90 and name HN )) (( segid " " and resid 110 and name HG1 )) 6.000 6.000 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.10146E-03 ppm1 9.138 ppm2 1.493 CV 1 OR { 151} (( segid " " and resid 90 and name HN )) (( segid " " and resid 110 and name HG2 )) ASSI { 153} (( segid " " and resid 90 and name HN )) (( segid " " and resid 107 and name HB )) 4.900 3.000 1.100 peak 153 spectrum 1 weight 0.10000E+01 volume 0.40864E-03 ppm1 9.138 ppm2 1.052 CV 1 ASSI { 154} (( segid " " and resid 106 and name HN )) (( segid " " and resid 123 and name HN )) 1.800 0.400 0.400 peak 154 spectrum 1 weight 0.11000E+01 volume 0.31120E-02 ppm1 9.125 ppm2 8.907 CV 1 ASSI { 155} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HD1 )) 4.000 2.000 2.000 peak 155 spectrum 1 weight 0.11000E+01 volume 0.27014E-02 ppm1 9.118 ppm2 1.639 CV 1 OR { 155} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HD2 )) ASSI { 157} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 1.600 0.300 0.600 peak 157 spectrum 1 weight 0.11000E+01 volume 0.79947E-02 ppm1 9.118 ppm2 5.263 CV 1 ASSI { 158} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 2.300 0.600 0.600 peak 158 spectrum 1 weight 0.11000E+01 volume 0.21198E-02 ppm1 9.118 ppm2 4.946 CV 1 ASSI { 161} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB1 )) 2.400 0.700 0.700 peak 161 spectrum 1 weight 0.11000E+01 volume 0.29307E-02 ppm1 9.118 ppm2 1.795 CV 1 OR { 161} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB2 )) ASSI { 162} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HG1 )) 3.400 1.500 1.500 peak 162 spectrum 1 weight 0.11000E+01 volume 0.12127E-02 ppm1 9.118 ppm2 1.362 CV 1 OR { 162} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HG2 )) ASSI { 163} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HG1%) 3.700 1.700 1.700 peak 163 spectrum 1 weight 0.11000E+01 volume 0.17867E-02 ppm1 9.118 ppm2 0.902 CV 1 ASSI { 164} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HG2%) 3.400 1.500 1.500 peak 164 spectrum 1 weight 0.11000E+01 volume 0.22879E-02 ppm1 9.118 ppm2 0.796 CV 1 ASSI { 166} (( segid " " and resid 94 and name HN )) ( segid " " and resid 92 and name HD% ) 4.800 2.800 1.200 peak 166 spectrum 1 weight 0.10000E+01 volume 0.60826E-03 ppm1 9.084 ppm2 7.124 CV 1 ASSI { 167} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA )) 1.600 0.300 0.600 peak 167 spectrum 1 weight 0.11000E+01 volume 0.81113E-02 ppm1 9.084 ppm2 5.357 CV 1 ASSI { 168} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 2.700 0.900 0.900 peak 168 spectrum 1 weight 0.11000E+01 volume 0.19724E-02 ppm1 9.084 ppm2 4.944 CV 1 ASSI { 190} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HA )) 1.500 0.300 0.700 peak 190 spectrum 1 weight 0.11000E+01 volume 0.71411E-02 ppm1 9.057 ppm2 5.510 CV 1 ASSI { 191} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA )) 2.800 1.000 1.000 peak 191 spectrum 1 weight 0.11000E+01 volume 0.12623E-02 ppm1 9.057 ppm2 5.029 CV 1 ASSI { 194} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 2.100 0.500 0.500 peak 194 spectrum 1 weight 0.11000E+01 volume 0.30471E-02 ppm1 9.066 ppm2 5.782 CV 1 ASSI { 199} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 1.500 0.300 0.700 peak 199 spectrum 1 weight 0.11000E+01 volume 0.72041E-02 ppm1 9.034 ppm2 4.947 CV 1 ASSI { 203} (( segid " " and resid 107 and name HN )) ( segid " " and resid 107 and name HG1%) 3.500 1.600 1.600 peak 203 spectrum 1 weight 0.11000E+01 volume 0.17709E-02 ppm1 9.034 ppm2 0.718 CV 1 ASSI { 206} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA1 )) 2.700 0.900 0.900 peak 206 spectrum 1 weight 0.11000E+01 volume 0.22077E-02 ppm1 9.015 ppm2 4.341 CV 1 ASSI { 207} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA2 )) 2.500 0.800 0.800 peak 207 spectrum 1 weight 0.11000E+01 volume 0.33211E-02 ppm1 9.015 ppm2 3.671 CV 1 ASSI { 211} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 1.800 0.400 0.400 peak 211 spectrum 1 weight 0.11000E+01 volume 0.48591E-02 ppm1 9.015 ppm2 3.401 CV 1 ASSI { 217} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HN )) 4.300 2.300 1.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.10775E-02 ppm1 8.969 ppm2 8.043 CV 1 ASSI { 219} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.500 0.800 0.800 peak 219 spectrum 1 weight 0.11000E+01 volume 0.23256E-02 ppm1 8.969 ppm2 5.021 CV 1 ASSI { 223} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) 3.100 1.200 1.200 peak 223 spectrum 1 weight 0.11000E+01 volume 0.16940E-02 ppm1 8.969 ppm2 2.235 CV 1 ASSI { 224} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 1.900 0.500 0.500 peak 224 spectrum 1 weight 0.11000E+01 volume 0.42528E-02 ppm1 8.967 ppm2 8.677 CV 1 ASSI { 225} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA1 )) 4.200 2.200 1.800 peak 225 spectrum 1 weight 0.11000E+01 volume 0.13538E-02 ppm1 8.969 ppm2 4.432 CV 1 ASSI { 229} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HA )) 1.900 0.400 0.400 peak 229 spectrum 1 weight 0.11000E+01 volume 0.20252E-02 ppm1 8.929 ppm2 4.321 CV 1 ASSI { 231} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HG )) 3.500 1.500 1.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.13428E-02 ppm1 8.929 ppm2 1.052 CV 1 ASSI { 237} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 1.700 0.400 0.500 peak 237 spectrum 1 weight 0.11000E+01 volume 0.11022E-01 ppm1 8.914 ppm2 4.450 CV 1 ASSI { 240} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HN )) 5.300 3.500 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.42039E-03 ppm1 9.078 ppm2 8.660 CV 1 ASSI { 242} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HD1 )) 5.700 4.100 0.300 peak 242 spectrum 1 weight 0.11000E+01 volume 0.49799E-03 ppm1 8.907 ppm2 1.651 CV 1 ASSI { 249} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) 1.600 0.300 0.600 peak 249 spectrum 1 weight 0.11000E+01 volume 0.80596E-02 ppm1 8.907 ppm2 5.029 CV 1 ASSI { 250} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB )) 3.300 1.300 1.300 peak 250 spectrum 1 weight 0.11000E+01 volume 0.10917E-02 ppm1 8.907 ppm2 2.071 CV 1 ASSI { 251} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HG1 )) 3.700 1.700 1.700 peak 251 spectrum 1 weight 0.11000E+01 volume 0.15540E-02 ppm1 8.907 ppm2 1.890 CV 1 OR { 251} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HG2 )) ASSI { 257} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name HD% ) 5.600 4.000 0.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.30334E-03 ppm1 8.861 ppm2 6.978 CV 1 ASSI { 259} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 3.000 1.100 1.100 peak 259 spectrum 1 weight 0.11000E+01 volume 0.81416E-03 ppm1 8.861 ppm2 5.290 CV 1 ASSI { 260} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG1 )) 2.900 1.100 1.100 peak 260 spectrum 1 weight 0.11000E+01 volume 0.18276E-02 ppm1 8.861 ppm2 2.360 CV 1 OR { 260} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG2 )) ASSI { 264} (( segid " " and resid 118 and name HN )) ( segid " " and resid 118 and name HD% ) 2.400 0.700 0.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.17362E-02 ppm1 8.833 ppm2 6.814 CV 1 ASSI { 266} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 1.700 0.300 0.500 peak 266 spectrum 1 weight 0.11000E+01 volume 0.36642E-02 ppm1 8.833 ppm2 4.549 CV 1 ASSI { 268} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB1 )) 3.700 1.700 1.700 peak 268 spectrum 1 weight 0.11000E+01 volume 0.47738E-03 ppm1 8.833 ppm2 2.861 CV 1 ASSI { 269} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.400 0.700 0.700 peak 269 spectrum 1 weight 0.11000E+01 volume 0.10829E-02 ppm1 8.833 ppm2 2.700 CV 1 ASSI { 271} (( segid " " and resid 118 and name HN )) (( segid " " and resid 33 and name HN )) 2.900 1.000 1.000 peak 271 spectrum 1 weight 0.11000E+01 volume 0.92631E-03 ppm1 8.833 ppm2 9.448 CV 1 ASSI { 273} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 3.900 1.900 1.900 peak 273 spectrum 1 weight 0.11000E+01 volume 0.29043E-03 ppm1 8.815 ppm2 4.118 CV 1 ASSI { 276} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.000 0.500 0.500 peak 276 spectrum 1 weight 0.11000E+01 volume 0.19151E-02 ppm1 8.815 ppm2 4.453 CV 1 ASSI { 278} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HN )) 2.300 0.700 0.700 peak 278 spectrum 1 weight 0.11000E+01 volume 0.19173E-02 ppm1 8.785 ppm2 8.045 CV 1 ASSI { 279} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA2 )) 1.600 0.300 0.600 peak 279 spectrum 1 weight 0.11000E+01 volume 0.80453E-02 ppm1 8.785 ppm2 3.893 CV 1 OR { 279} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA1 )) ASSI { 281} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 1.700 0.400 0.500 peak 281 spectrum 1 weight 0.11000E+01 volume 0.35395E-02 ppm1 8.785 ppm2 5.069 CV 1 ASSI { 286} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 3.500 1.500 1.500 peak 286 spectrum 1 weight 0.11000E+01 volume 0.82172E-03 ppm1 8.753 ppm2 8.967 CV 1 ASSI { 289} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.300 0.700 0.700 peak 289 spectrum 1 weight 0.11000E+01 volume 0.15904E-02 ppm1 8.753 ppm2 4.018 CV 1 ASSI { 291} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB )) 1.600 0.300 0.600 peak 291 spectrum 1 weight 0.11000E+01 volume 0.50708E-02 ppm1 8.753 ppm2 2.033 CV 1 ASSI { 293} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG11)) 2.700 0.900 0.900 peak 293 spectrum 1 weight 0.11000E+01 volume 0.14810E-02 ppm1 8.753 ppm2 0.762 CV 1 ASSI { 300} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HN )) 2.300 0.600 0.600 peak 300 spectrum 1 weight 0.11000E+01 volume 0.52793E-02 ppm1 8.678 ppm2 8.045 CV 1 ASSI { 301} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA1 )) 3.200 1.300 1.300 peak 301 spectrum 1 weight 0.11000E+01 volume 0.23508E-02 ppm1 8.678 ppm2 4.432 CV 1 ASSI { 302} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA1 )) 3.600 1.600 1.600 peak 302 spectrum 1 weight 0.11000E+01 volume 0.54059E-03 ppm1 8.678 ppm2 3.893 CV 1 OR { 302} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA2 )) ASSI { 303} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA2 )) 2.600 0.800 0.800 peak 303 spectrum 1 weight 0.11000E+01 volume 0.32956E-02 ppm1 8.678 ppm2 3.581 CV 1 ASSI { 304} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 4.600 2.600 1.400 peak 304 spectrum 1 weight 0.11000E+01 volume 0.43552E-03 ppm1 8.678 ppm2 2.665 CV 1 ASSI { 305} (( segid " " and resid 37 and name HN )) ( segid " " and resid 33 and name HD1%) 4.500 2.600 1.500 peak 305 spectrum 1 weight 0.10000E+01 volume 0.42720E-03 ppm1 8.678 ppm2 0.230 CV 1 ASSI { 308} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.600 1.600 1.600 peak 308 spectrum 1 weight 0.11000E+01 volume 0.12909E-02 ppm1 8.678 ppm2 5.076 CV 1 ASSI { 322} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 3.000 1.100 1.100 peak 322 spectrum 1 weight 0.11000E+01 volume 0.22793E-02 ppm1 8.625 ppm2 4.213 CV 1 ASSI { 328} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 1.600 0.300 0.600 peak 328 spectrum 1 weight 0.11000E+01 volume 0.64332E-02 ppm1 8.632 ppm2 4.963 CV 1 ASSI { 330} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB1 )) 3.400 1.500 1.500 peak 330 spectrum 1 weight 0.11000E+01 volume 0.13663E-02 ppm1 8.632 ppm2 1.796 CV 1 ASSI { 331} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HG2 )) 2.600 0.900 0.900 peak 331 spectrum 1 weight 0.11000E+01 volume 0.19461E-02 ppm1 8.632 ppm2 1.388 CV 1 OR { 331} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HG1 )) ASSI { 343} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) 4.900 3.100 1.100 peak 343 spectrum 1 weight 0.11000E+01 volume 0.12368E-02 ppm1 8.625 ppm2 8.388 CV 1 ASSI { 349} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG2 )) 4.200 2.200 1.800 peak 349 spectrum 1 weight 0.11000E+01 volume 0.22256E-02 ppm1 8.625 ppm2 2.295 CV 1 OR { 349} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG1 )) ASSI { 350} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 3.400 1.500 1.500 peak 350 spectrum 1 weight 0.11000E+01 volume 0.29646E-02 ppm1 8.625 ppm2 2.017 CV 1 ASSI { 356} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HG2 )) 4.000 2.000 2.000 peak 356 spectrum 1 weight 0.11000E+01 volume 0.11749E-02 ppm1 8.632 ppm2 1.890 CV 1 OR { 356} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HG1 )) ASSI { 357} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) 3.100 1.200 1.200 peak 357 spectrum 1 weight 0.11000E+01 volume 0.15632E-02 ppm1 8.632 ppm2 1.299 CV 1 ASSI { 381} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 2.400 0.700 0.700 peak 381 spectrum 1 weight 0.11000E+01 volume 0.40906E-02 ppm1 8.582 ppm2 4.213 CV 1 ASSI { 385} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) 4.900 3.000 1.100 peak 385 spectrum 1 weight 0.11000E+01 volume 0.80935E-03 ppm1 8.582 ppm2 2.019 CV 1 ASSI { 412} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 36 and name HB2 )) 4.200 2.200 1.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 8.542 ppm2 2.661 CV 1 ASSI { 413} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 38 and name HB2 )) 3.100 1.200 1.200 peak 413 spectrum 1 weight 0.11000E+01 volume 0.13318E-02 ppm1 8.541 ppm2 2.234 CV 1 ASSI { 421} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB )) 3.700 1.700 1.700 peak 421 spectrum 1 weight 0.11000E+01 volume 0.11127E-02 ppm1 8.482 ppm2 4.128 CV 1 ASSI { 422} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HG1 )) 3.600 1.600 1.600 peak 422 spectrum 1 weight 0.11000E+01 volume 0.10728E-02 ppm1 8.482 ppm2 2.269 CV 1 OR { 422} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HG2 )) ASSI { 424} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.400 1.400 1.400 peak 424 spectrum 1 weight 0.11000E+01 volume 0.19879E-02 ppm1 8.482 ppm2 1.811 CV 1 ASSI { 425} (( segid " " and resid 91 and name HN )) ( segid " " and resid 90 and name HG2%) 4.900 3.000 1.100 peak 425 spectrum 1 weight 0.11000E+01 volume 0.79094E-03 ppm1 8.482 ppm2 1.229 CV 1 ASSI { 433} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HD1 )) 4.800 2.800 1.200 peak 433 spectrum 1 weight 0.11000E+01 volume 0.74587E-03 ppm1 8.481 ppm2 4.063 CV 1 ASSI { 434} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HD2 )) 3.300 1.400 1.400 peak 434 spectrum 1 weight 0.11000E+01 volume 0.10576E-02 ppm1 8.481 ppm2 3.984 CV 1 ASSI { 436} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.200 1.300 1.300 peak 436 spectrum 1 weight 0.11000E+01 volume 0.22381E-02 ppm1 8.481 ppm2 1.845 CV 1 ASSI { 441} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 2.000 0.500 0.500 peak 441 spectrum 1 weight 0.11000E+01 volume 0.65656E-02 ppm1 8.476 ppm2 4.945 CV 1 ASSI { 442} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.900 1.000 1.000 peak 442 spectrum 1 weight 0.11000E+01 volume 0.31646E-02 ppm1 8.478 ppm2 4.371 CV 1 ASSI { 443} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB1 )) 3.700 1.700 1.700 peak 443 spectrum 1 weight 0.11000E+01 volume 0.17319E-02 ppm1 8.478 ppm2 2.862 CV 1 OR { 443} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) ASSI { 444} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HB% ) 2.900 1.000 1.000 peak 444 spectrum 1 weight 0.11000E+01 volume 0.66488E-02 ppm1 8.478 ppm2 1.398 CV 1 ASSI { 451} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA1 )) 3.300 1.300 1.300 peak 451 spectrum 1 weight 0.11000E+01 volume 0.18868E-02 ppm1 8.447 ppm2 4.067 CV 1 ASSI { 452} (( segid " " and resid 51 and name HN )) ( segid " " and resid 50 and name HG2%) 5.400 3.600 0.600 peak 452 spectrum 1 weight 0.11000E+01 volume 0.65059E-03 ppm1 8.447 ppm2 1.261 CV 1 ASSI { 454} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 3.500 1.600 1.600 peak 454 spectrum 1 weight 0.11000E+01 volume 0.71664E-03 ppm1 8.417 ppm2 3.658 CV 1 ASSI { 456} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB1 )) 3.800 1.800 1.800 peak 456 spectrum 1 weight 0.11000E+01 volume 0.12090E-02 ppm1 8.417 ppm2 3.083 CV 1 ASSI { 457} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.200 1.300 1.300 peak 457 spectrum 1 weight 0.11000E+01 volume 0.28945E-02 ppm1 8.417 ppm2 2.887 CV 1 ASSI { 463} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 1.500 0.300 0.700 peak 463 spectrum 1 weight 0.11000E+01 volume 0.62094E-02 ppm1 8.392 ppm2 4.561 CV 1 ASSI { 464} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.300 0.700 0.700 peak 464 spectrum 1 weight 0.11000E+01 volume 0.15819E-02 ppm1 8.392 ppm2 4.075 CV 1 ASSI { 466} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 2.200 0.600 0.600 peak 466 spectrum 1 weight 0.11000E+01 volume 0.26909E-02 ppm1 8.392 ppm2 1.506 CV 1 OR { 466} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) ASSI { 474} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HB% ) 2.700 0.900 0.900 peak 474 spectrum 1 weight 0.11000E+01 volume 0.89315E-02 ppm1 8.388 ppm2 1.474 CV 1 ASSI { 481} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HB% ) 1.700 1.700 4.300 peak 481 spectrum 1 weight 0.11000E+01 volume 0.72045E-02 ppm1 8.389 ppm2 1.467 CV 1 ASSI { 483} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG1 )) 3.000 1.100 1.100 peak 483 spectrum 1 weight 0.11000E+01 volume 0.48416E-02 ppm1 8.388 ppm2 2.053 CV 1 OR { 483} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG2 )) ASSI { 484} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB2 )) 1.600 0.300 0.600 peak 484 spectrum 1 weight 0.11000E+01 volume 0.57741E-02 ppm1 8.388 ppm2 1.846 CV 1 ASSI { 492} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HD1 )) 4.600 2.600 1.400 peak 492 spectrum 1 weight 0.11000E+01 volume 0.63407E-03 ppm1 8.388 ppm2 1.720 CV 1 ASSI { 496} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB1 )) 1.600 0.300 0.600 peak 496 spectrum 1 weight 0.11000E+01 volume 0.50736E-02 ppm1 8.388 ppm2 1.885 CV 1 ASSI { 497} (( segid " " and resid 77 and name HN )) (( segid " " and resid 88 and name HG )) 4.700 2.700 1.300 peak 497 spectrum 1 weight 0.10000E+01 volume 0.36634E-03 ppm1 8.388 ppm2 1.044 CV 1 ASSI { 500} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 2.600 0.800 0.800 peak 500 spectrum 1 weight 0.11000E+01 volume 0.60785E-02 ppm1 8.372 ppm2 4.351 CV 1 ASSI { 502} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HG2%) 4.100 2.100 1.900 peak 502 spectrum 1 weight 0.11000E+01 volume 0.22129E-02 ppm1 8.372 ppm2 1.261 CV 1 ASSI { 517} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 3.300 1.300 1.300 peak 517 spectrum 1 weight 0.11000E+01 volume 0.12647E-02 ppm1 8.337 ppm2 4.100 CV 1 ASSI { 518} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 2.500 0.800 0.800 peak 518 spectrum 1 weight 0.11000E+01 volume 0.32502E-02 ppm1 8.337 ppm2 3.438 CV 1 ASSI { 519} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 2.800 1.000 1.000 peak 519 spectrum 1 weight 0.11000E+01 volume 0.10785E-02 ppm1 8.337 ppm2 3.012 CV 1 ASSI { 524} (( segid " " and resid 115 and name HN )) (( segid " " and resid 117 and name HN )) 5.200 3.400 0.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.42237E-03 ppm1 8.311 ppm2 7.347 CV 1 ASSI { 555} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA1 )) 3.300 1.400 1.400 peak 555 spectrum 1 weight 0.11000E+01 volume 0.16281E-02 ppm1 8.316 ppm2 4.132 CV 1 ASSI { 558} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB2 )) 4.900 3.000 1.100 peak 558 spectrum 1 weight 0.11000E+01 volume 0.12345E-02 ppm1 8.305 ppm2 2.683 CV 1 ASSI { 564} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG11)) 3.000 1.100 1.100 peak 564 spectrum 1 weight 0.11000E+01 volume 0.30219E-02 ppm1 8.305 ppm2 1.450 CV 1 ASSI { 565} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HG2%) 4.500 2.500 1.500 peak 565 spectrum 1 weight 0.11000E+01 volume 0.21726E-02 ppm1 8.305 ppm2 1.223 CV 1 ASSI { 567} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.900 1.100 1.100 peak 567 spectrum 1 weight 0.11000E+01 volume 0.27502E-02 ppm1 8.305 ppm2 4.348 CV 1 ASSI { 585} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 2.000 0.500 0.500 peak 585 spectrum 1 weight 0.11000E+01 volume 0.36267E-02 ppm1 8.248 ppm2 7.816 CV 1 ASSI { 586} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HN )) 2.200 0.600 0.600 peak 586 spectrum 1 weight 0.11000E+01 volume 0.40799E-02 ppm1 8.248 ppm2 7.723 CV 1 ASSI { 590} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 2.700 0.900 0.900 peak 590 spectrum 1 weight 0.11000E+01 volume 0.22290E-02 ppm1 8.248 ppm2 3.313 CV 1 ASSI { 592} (( segid " " and resid 83 and name HN )) (( segid " " and resid 88 and name HG )) 4.100 2.100 1.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.10009E-02 ppm1 8.248 ppm2 1.050 CV 1 ASSI { 593} (( segid " " and resid 83 and name HN )) ( segid " " and resid 83 and name HG2%) 2.400 0.700 0.700 peak 593 spectrum 1 weight 0.11000E+01 volume 0.13381E-02 ppm1 8.248 ppm2 0.665 CV 1 ASSI { 632} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HN )) 2.000 0.500 0.500 peak 632 spectrum 1 weight 0.11000E+01 volume 0.25239E-02 ppm1 8.124 ppm2 7.881 CV 1 ASSI { 644} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA2 )) 3.400 1.500 1.500 peak 644 spectrum 1 weight 0.11000E+01 volume 0.18256E-02 ppm1 8.069 ppm2 3.866 CV 1 ASSI { 646} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB2 )) 3.100 1.200 1.200 peak 646 spectrum 1 weight 0.11000E+01 volume 0.40568E-02 ppm1 8.069 ppm2 2.683 CV 1 ASSI { 662} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.900 1.000 1.000 peak 662 spectrum 1 weight 0.11000E+01 volume 0.24277E-02 ppm1 8.045 ppm2 5.076 CV 1 ASSI { 666} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HN )) 3.200 1.300 1.300 peak 666 spectrum 1 weight 0.11000E+01 volume 0.25525E-02 ppm1 8.069 ppm2 8.481 CV 1 ASSI { 667} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 2.200 0.600 0.600 peak 667 spectrum 1 weight 0.11000E+01 volume 0.26125E-02 ppm1 8.069 ppm2 7.631 CV 1 ASSI { 669} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.600 0.900 0.900 peak 669 spectrum 1 weight 0.11000E+01 volume 0.40977E-02 ppm1 8.069 ppm2 4.240 CV 1 ASSI { 670} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG1 )) 4.000 2.000 2.000 peak 670 spectrum 1 weight 0.11000E+01 volume 0.17623E-02 ppm1 8.069 ppm2 2.437 CV 1 ASSI { 671} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB1 )) 3.700 1.800 1.800 peak 671 spectrum 1 weight 0.11000E+01 volume 0.15660E-02 ppm1 8.069 ppm2 2.232 CV 1 ASSI { 672} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 672 spectrum 1 weight 0.11000E+01 volume 0.37024E-02 ppm1 8.069 ppm2 2.067 CV 1 ASSI { 688} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HN )) 1.700 0.300 0.500 peak 688 spectrum 1 weight 0.11000E+01 volume 0.11120E-01 ppm1 8.029 ppm2 7.725 CV 1 ASSI { 702} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB )) 3.600 1.600 1.600 peak 702 spectrum 1 weight 0.11000E+01 volume 0.15745E-02 ppm1 7.989 ppm2 2.027 CV 1 ASSI { 703} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HG1%) 4.800 2.800 1.200 peak 703 spectrum 1 weight 0.11000E+01 volume 0.48257E-03 ppm1 7.990 ppm2 0.900 CV 1 ASSI { 705} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 1.600 0.300 0.600 peak 705 spectrum 1 weight 0.11000E+01 volume 0.52292E-02 ppm1 7.989 ppm2 4.508 CV 1 ASSI { 707} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB1 )) 3.200 1.200 1.200 peak 707 spectrum 1 weight 0.10000E+01 volume 0.20485E-02 ppm1 7.990 ppm2 1.334 CV 1 ASSI { 708} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HG2%) 3.200 1.200 1.200 peak 708 spectrum 1 weight 0.11000E+01 volume 0.28556E-02 ppm1 7.989 ppm2 0.798 CV 1 ASSI { 709} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 2.600 0.800 0.800 peak 709 spectrum 1 weight 0.11000E+01 volume 0.30315E-02 ppm1 7.989 ppm2 4.042 CV 1 ASSI { 710} (( segid " " and resid 125 and name HN )) (( segid " " and resid 105 and name HA )) 3.000 1.100 1.100 peak 710 spectrum 1 weight 0.11000E+01 volume 0.75324E-03 ppm1 7.989 ppm2 5.263 CV 1 ASSI { 719} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA1 )) 2.800 1.000 1.000 peak 719 spectrum 1 weight 0.11000E+01 volume 0.41336E-02 ppm1 7.968 ppm2 4.067 CV 1 ASSI { 732} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.400 0.700 0.700 peak 732 spectrum 1 weight 0.11000E+01 volume 0.91950E-02 ppm1 7.969 ppm2 4.301 CV 1 ASSI { 733} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA2 )) 2.900 1.100 1.100 peak 733 spectrum 1 weight 0.11000E+01 volume 0.30010E-02 ppm1 7.968 ppm2 4.018 CV 1 ASSI { 734} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HD2 )) 6.000 5.300 0.000 peak 734 spectrum 1 weight 0.11000E+01 volume 0.27284E-03 ppm1 7.969 ppm2 3.111 CV 1 OR { 734} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HD1 )) ASSI { 766} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB2 )) 2.700 0.900 0.900 peak 766 spectrum 1 weight 0.11000E+01 volume 0.50371E-02 ppm1 7.817 ppm2 2.010 CV 1 OR { 766} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB1 )) ASSI { 768} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 3.200 1.300 1.300 peak 768 spectrum 1 weight 0.11000E+01 volume 0.15102E-02 ppm1 7.817 ppm2 3.974 CV 1 ASSI { 769} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA1 )) 1.600 0.300 0.600 peak 769 spectrum 1 weight 0.11000E+01 volume 0.46203E-02 ppm1 7.817 ppm2 4.072 CV 1 ASSI { 770} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA2 )) 2.000 0.500 0.500 peak 770 spectrum 1 weight 0.11000E+01 volume 0.45116E-02 ppm1 7.817 ppm2 3.578 CV 1 ASSI { 795} (( segid " " and resid 86 and name HN )) ( segid " " and resid 84 and name HB% ) 2.500 2.500 3.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.32869E-02 ppm1 7.738 ppm2 1.419 CV 1 ASSI { 808} (( segid " " and resid 84 and name HN )) (( segid " " and resid 80 and name HA )) 3.400 3.400 2.600 peak 808 spectrum 1 weight 0.11000E+01 volume 0.51297E-03 ppm1 7.725 ppm2 3.438 CV 1 ASSI { 819} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA2 )) 3.200 1.300 1.300 peak 819 spectrum 1 weight 0.11000E+01 volume 0.11574E-02 ppm1 7.717 ppm2 3.670 CV 1 ASSI { 822} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB1 )) 1.900 0.400 0.400 peak 822 spectrum 1 weight 0.11000E+01 volume 0.53011E-02 ppm1 7.718 ppm2 1.856 CV 1 ASSI { 823} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB2 )) 2.400 0.700 0.700 peak 823 spectrum 1 weight 0.11000E+01 volume 0.23751E-02 ppm1 7.718 ppm2 1.697 CV 1 ASSI { 825} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG1 )) 3.600 1.700 1.700 peak 825 spectrum 1 weight 0.11000E+01 volume 0.30374E-02 ppm1 7.717 ppm2 1.323 CV 1 ASSI { 826} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG2 )) 3.800 1.800 1.800 peak 826 spectrum 1 weight 0.11000E+01 volume 0.26729E-02 ppm1 7.717 ppm2 1.219 CV 1 ASSI { 827} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HD1 )) 5.600 3.900 0.400 peak 827 spectrum 1 weight 0.11000E+01 volume 0.56047E-03 ppm1 7.717 ppm2 0.758 CV 1 ASSI { 832} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 56 and name HE22)) 1.600 0.300 0.600 peak 832 spectrum 1 weight 0.11000E+01 volume 0.21753E-01 ppm1 7.667 ppm2 6.946 CV 1 ASSI { 848} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.800 1.000 1.000 peak 848 spectrum 1 weight 0.11000E+01 volume 0.23664E-02 ppm1 7.603 ppm2 4.062 CV 1 ASSI { 851} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) 4.500 2.500 1.500 peak 851 spectrum 1 weight 0.11000E+01 volume 0.71315E-03 ppm1 7.603 ppm2 2.069 CV 1 OR { 851} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 854} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.700 0.900 0.900 peak 854 spectrum 1 weight 0.11000E+01 volume 0.95204E-03 ppm1 7.563 ppm2 3.401 CV 1 ASSI { 860} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 3.200 1.300 1.300 peak 860 spectrum 1 weight 0.11000E+01 volume 0.11060E-02 ppm1 7.631 ppm2 4.064 CV 1 ASSI { 871} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB1 )) 4.700 2.800 1.300 peak 871 spectrum 1 weight 0.11000E+01 volume 0.71758E-03 ppm1 6.658 ppm2 2.756 CV 1 ASSI { 872} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HG1%) 3.500 1.500 1.500 peak 872 spectrum 1 weight 0.11000E+01 volume 0.38001E-02 ppm1 6.657 ppm2 0.660 CV 1 OR { 872} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HG2%) ASSI { 875} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 3.500 1.500 1.500 peak 875 spectrum 1 weight 0.11000E+01 volume 0.11184E-02 ppm1 6.658 ppm2 3.767 CV 1 ASSI { 876} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB )) 3.600 1.600 1.600 peak 876 spectrum 1 weight 0.11000E+01 volume 0.18134E-02 ppm1 6.658 ppm2 1.816 CV 1 ASSI { 877} (( segid " " and resid 61 and name HD21)) (( segid " " and resid 61 and name HD22)) 1.800 0.400 0.400 peak 877 spectrum 1 weight 0.11000E+01 volume 0.82954E-02 ppm1 6.875 ppm2 7.492 CV 1 ASSI { 878} (( segid " " and resid 61 and name HD21)) (( segid " " and resid 61 and name HB1 )) 3.100 1.200 1.200 peak 878 spectrum 1 weight 0.11000E+01 volume 0.34284E-02 ppm1 6.875 ppm2 2.747 CV 1 ASSI { 887} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HA )) 3.700 1.700 1.700 peak 887 spectrum 1 weight 0.11000E+01 volume 0.69976E-03 ppm1 7.438 ppm2 4.024 CV 1 ASSI { 889} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB1 )) 2.800 1.000 1.000 peak 889 spectrum 1 weight 0.11000E+01 volume 0.98281E-03 ppm1 7.438 ppm2 2.023 CV 1 ASSI { 892} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HG )) 3.000 1.100 1.100 peak 892 spectrum 1 weight 0.10000E+01 volume 0.17113E-02 ppm1 7.438 ppm2 1.300 CV 1 ASSI { 898} (( segid " " and resid 61 and name HD22)) (( segid " " and resid 61 and name HB2 )) 4.800 2.800 1.200 peak 898 spectrum 1 weight 0.11000E+01 volume 0.15189E-02 ppm1 7.490 ppm2 2.618 CV 1 ASSI { 904} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 41 and name HB2 )) 4.500 2.500 1.500 peak 904 spectrum 1 weight 0.11000E+01 volume 0.66690E-03 ppm1 7.602 ppm2 1.973 CV 1 ASSI { 905} (( segid " " and resid 87 and name HD21)) (( segid " " and resid 87 and name HD22)) 1.600 0.300 0.600 peak 905 spectrum 1 weight 0.11000E+01 volume 0.18893E-01 ppm1 7.562 ppm2 6.940 CV 1 ASSI { 916} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 41 and name HG2 )) 2.800 0.900 0.900 peak 916 spectrum 1 weight 0.11000E+01 volume 0.37365E-02 ppm1 7.602 ppm2 2.360 CV 1 OR { 916} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 41 and name HG1 )) ASSI { 921} (( segid " " and resid 87 and name HD21)) (( segid " " and resid 87 and name HB1 )) 3.300 1.300 1.300 peak 921 spectrum 1 weight 0.11000E+01 volume 0.13361E-02 ppm1 7.561 ppm2 2.756 CV 1 ASSI { 930} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.900 1.900 1.900 peak 930 spectrum 1 weight 0.11000E+01 volume 0.93276E-03 ppm1 7.348 ppm2 3.579 CV 1 ASSI { 931} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB1 )) 4.700 2.800 1.300 peak 931 spectrum 1 weight 0.11000E+01 volume 0.22151E-02 ppm1 7.347 ppm2 2.701 CV 1 OR { 931} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB2 )) ASSI { 937} (( segid " " and resid 43 and name HD21)) (( segid " " and resid 43 and name HD22)) 1.200 0.200 1.000 peak 937 spectrum 1 weight 0.11000E+01 volume 0.17531E-01 ppm1 7.410 ppm2 7.079 CV 1 ASSI { 938} (( segid " " and resid 43 and name HD21)) (( segid " " and resid 119 and name HZ3 )) 2.700 0.900 0.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.10382E-02 ppm1 7.410 ppm2 6.666 CV 1 ASSI { 946} ( segid " " and resid 92 and name HD% ) ( segid " " and resid 92 and name HE% ) 2.000 0.500 0.500 peak 946 spectrum 1 weight 0.11000E+01 volume 0.29167E-01 ppm1 7.121 ppm2 7.001 CV 1 ASSI { 950} (( segid " " and resid 99 and name HE21)) (( segid " " and resid 99 and name HG2 )) 3.300 1.400 1.400 peak 950 spectrum 1 weight 0.11000E+01 volume 0.23152E-02 ppm1 7.159 ppm2 1.391 CV 1 OR { 950} (( segid " " and resid 99 and name HE21)) (( segid " " and resid 99 and name HG1 )) ASSI { 958} (( segid " " and resid 43 and name HD22)) (( segid " " and resid 119 and name HZ3 )) 2.100 0.500 0.500 peak 958 spectrum 1 weight 0.10000E+01 volume 0.91924E-02 ppm1 7.083 ppm2 6.666 CV 1 ASSI { 959} (( segid " " and resid 43 and name HD22)) (( segid " " and resid 43 and name HA )) 5.300 3.500 0.700 peak 959 spectrum 1 weight 0.11000E+01 volume 0.45854E-03 ppm1 7.082 ppm2 4.941 CV 1 ASSI { 960} (( segid " " and resid 43 and name HD22)) (( segid " " and resid 43 and name HB2 )) 3.400 1.400 1.400 peak 960 spectrum 1 weight 0.11000E+01 volume 0.29108E-02 ppm1 7.082 ppm2 2.862 CV 1 OR { 960} (( segid " " and resid 43 and name HD22)) (( segid " " and resid 43 and name HB1 )) ASSI { 967} (( segid " " and resid 32 and name HE21)) (( segid " " and resid 32 and name HB2 )) 3.100 1.200 1.200 peak 967 spectrum 1 weight 0.11000E+01 volume 0.62690E-03 ppm1 7.103 ppm2 1.505 CV 1 OR { 967} (( segid " " and resid 32 and name HE21)) (( segid " " and resid 32 and name HB1 )) ASSI { 984} (( segid " " and resid 99 and name HE22)) (( segid " " and resid 99 and name HB1 )) 6.000 5.400 0.000 peak 984 spectrum 1 weight 0.11000E+01 volume 0.46131E-03 ppm1 6.781 ppm2 1.721 CV 1 OR { 984} (( segid " " and resid 99 and name HE22)) (( segid " " and resid 99 and name HB2 )) ASSI { 991} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.900 1.100 1.100 peak 991 spectrum 1 weight 0.10000E+01 volume 0.23293E-02 ppm1 6.947 ppm2 4.840 CV 1 ASSI { 1006} (( segid " " and resid 89 and name HD22)) (( segid " " and resid 89 and name HD21)) 1.800 0.400 0.400 peak 1006 spectrum 1 weight 0.11000E+01 volume 0.80386E-02 ppm1 7.104 ppm2 7.793 CV 1 ASSI { 1008} (( segid " " and resid 89 and name HD22)) (( segid " " and resid 89 and name HB2 )) 4.600 2.700 1.400 peak 1008 spectrum 1 weight 0.11000E+01 volume 0.84769E-03 ppm1 7.104 ppm2 2.998 CV 1 ASSI { 1010} (( segid " " and resid 41 and name HE22)) (( segid " " and resid 41 and name HE21)) 1.500 0.300 0.700 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.20955E-01 ppm1 7.085 ppm2 7.602 CV 1 ASSI { 1013} (( segid " " and resid 41 and name HE22)) (( segid " " and resid 41 and name HG2 )) 4.300 2.300 1.700 peak 1013 spectrum 1 weight 0.11000E+01 volume 0.13908E-02 ppm1 7.085 ppm2 2.360 CV 1 OR { 1013} (( segid " " and resid 41 and name HE22)) (( segid " " and resid 41 and name HG1 )) ASSI { 1024} (( segid " " and resid 40 and name HN )) (( segid " " and resid 33 and name HA )) 1.900 0.400 0.400 peak 1024 spectrum 1 weight 0.11000E+01 volume 0.16208E-02 ppm1 9.575 ppm2 5.455 CV 1 ASSI { 1025} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD2%) 4.400 2.400 1.600 peak 1025 spectrum 1 weight 0.11000E+01 volume 0.19604E-02 ppm1 9.575 ppm2 0.728 CV 1 ASSI { 1026} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB1 )) 3.400 1.500 1.500 peak 1026 spectrum 1 weight 0.11000E+01 volume 0.53127E-03 ppm1 8.753 ppm2 2.970 CV 1 ASSI { 1028} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.100 1.200 1.200 peak 1028 spectrum 1 weight 0.11000E+01 volume 0.31622E-02 ppm1 9.652 ppm2 2.615 CV 1 ASSI { 1029} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB1 )) 2.400 0.700 0.700 peak 1029 spectrum 1 weight 0.11000E+01 volume 0.74623E-03 ppm1 9.388 ppm2 2.853 CV 1 ASSI { 1032} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 3.000 1.100 1.100 peak 1032 spectrum 1 weight 0.11000E+01 volume 0.36435E-03 ppm1 9.381 ppm2 4.796 CV 1 ASSI { 1034} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB )) 3.100 1.200 1.200 peak 1034 spectrum 1 weight 0.11000E+01 volume 0.15101E-02 ppm1 9.057 ppm2 2.070 CV 1 ASSI { 1036} (( segid " " and resid 122 and name HN )) (( segid " " and resid 30 and name HA )) 3.100 1.200 1.200 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.95195E-03 ppm1 9.057 ppm2 5.225 CV 1 ASSI { 1038} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HG2%) 3.600 1.600 1.600 peak 1038 spectrum 1 weight 0.11000E+01 volume 0.75321E-03 ppm1 9.057 ppm2 0.720 CV 1 ASSI { 1039} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HA )) 1.500 0.300 0.700 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.62437E-02 ppm1 9.138 ppm2 5.483 CV 1 ASSI { 1041} (( segid " " and resid 90 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.700 1.700 1.700 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.31853E-03 ppm1 9.138 ppm2 2.237 CV 1 OR { 1041} (( segid " " and resid 90 and name HN )) (( segid " " and resid 109 and name HB1 )) ASSI { 1042} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HG2 )) 3.200 1.300 1.300 peak 1042 spectrum 1 weight 0.11000E+01 volume 0.70513E-03 ppm1 9.399 ppm2 2.720 CV 1 OR { 1042} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HG1 )) ASSI { 1043} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB2 )) 5.300 3.600 0.700 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.21092E-03 ppm1 9.400 ppm2 3.078 CV 1 ASSI { 1044} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 1.600 0.300 0.600 peak 1044 spectrum 1 weight 0.11000E+01 volume 0.53938E-02 ppm1 9.400 ppm2 5.746 CV 1 ASSI { 1048} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HD2 )) 5.200 3.400 0.800 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.47202E-03 ppm1 9.549 ppm2 1.834 CV 1 OR { 1048} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HD1 )) ASSI { 1049} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB1 )) 3.400 1.400 1.400 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.58451E-03 ppm1 9.549 ppm2 1.651 CV 1 OR { 1049} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) ASSI { 1050} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG1 )) 3.800 1.800 1.800 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.32535E-03 ppm1 9.549 ppm2 1.485 CV 1 OR { 1050} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG2 )) ASSI { 1051} (( segid " " and resid 111 and name HN )) (( segid " " and resid 89 and name HA )) 3.300 1.400 1.400 peak 1051 spectrum 1 weight 0.11000E+01 volume 0.29476E-03 ppm1 8.388 ppm2 5.482 CV 1 ASSI { 1054} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HD2 )) 4.800 2.800 1.200 peak 1054 spectrum 1 weight 0.11000E+01 volume 0.72892E-03 ppm1 8.388 ppm2 1.660 CV 1 ASSI { 1055} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HN )) 2.400 0.700 0.700 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.16120E-02 ppm1 9.434 ppm2 9.216 CV 1 ASSI { 1060} (( segid " " and resid 84 and name HN )) ( segid " " and resid 84 and name HB% ) 2.300 0.600 0.600 peak 1060 spectrum 1 weight 0.11000E+01 volume 0.98423E-02 ppm1 7.725 ppm2 1.418 CV 1 ASSI { 1061} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HG2%) 4.000 2.000 2.000 peak 1061 spectrum 1 weight 0.11000E+01 volume 0.26065E-02 ppm1 7.725 ppm2 0.665 CV 1 ASSI { 1062} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA )) 3.700 1.700 1.700 peak 1062 spectrum 1 weight 0.11000E+01 volume 0.12605E-02 ppm1 7.738 ppm2 4.356 CV 1 ASSI { 1064} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB2 )) 3.600 1.600 1.600 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.23259E-02 ppm1 8.124 ppm2 2.713 CV 1 ASSI { 1067} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HG2 )) 5.800 4.100 0.200 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.24135E-03 ppm1 7.817 ppm2 2.173 CV 1 ASSI { 1069} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.200 1.200 1.200 peak 1069 spectrum 1 weight 0.11000E+01 volume 0.44495E-03 ppm1 7.568 ppm2 3.012 CV 1 ASSI { 1070} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.63010E-03 ppm1 7.569 ppm2 4.100 CV 1 ASSI { 1075} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB2 )) 4.800 2.900 1.200 peak 1075 spectrum 1 weight 0.11000E+01 volume 0.29998E-03 ppm1 7.881 ppm2 2.713 CV 1 ASSI { 1077} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 3.300 1.300 1.300 peak 1077 spectrum 1 weight 0.11000E+01 volume 0.33760E-03 ppm1 8.929 ppm2 5.483 CV 1 ASSI { 1079} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB2 )) 4.200 2.200 1.800 peak 1079 spectrum 1 weight 0.11000E+01 volume 0.41284E-03 ppm1 8.929 ppm2 2.998 CV 1 ASSI { 1080} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB2 )) 5.100 3.300 0.900 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.20101E-03 ppm1 9.138 ppm2 3.007 CV 1 ASSI { 1081} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.000 1.100 1.100 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.67325E-03 ppm1 8.336 ppm2 2.753 CV 1 OR { 1081} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 1084} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 2.700 0.900 0.900 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.75205E-03 ppm1 8.336 ppm2 5.071 CV 1 ASSI { 1085} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 1.600 0.300 0.600 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.52140E-02 ppm1 8.336 ppm2 5.455 CV 1 ASSI { 1088} (( segid " " and resid 34 and name HN )) (( segid " " and resid 40 and name HN )) 4.500 2.500 1.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.12222E-03 ppm1 8.337 ppm2 9.566 CV 1 ASSI { 1090} (( segid " " and resid 34 and name HN )) ( segid " " and resid 39 and name HG2%) 5.200 3.300 0.800 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.64556E-03 ppm1 8.336 ppm2 0.309 CV 1 ASSI { 1091} (( segid " " and resid 118 and name HN )) (( segid " " and resid 34 and name HA )) 2.500 0.800 0.800 peak 1091 spectrum 1 weight 0.11000E+01 volume 0.98546E-03 ppm1 8.833 ppm2 5.069 CV 1 ASSI { 1092} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA2 )) 2.600 0.800 0.800 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.19885E-02 ppm1 8.044 ppm2 3.893 CV 1 OR { 1092} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA1 )) ASSI { 1093} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.400 1.400 1.400 peak 1093 spectrum 1 weight 0.11000E+01 volume 0.20909E-02 ppm1 8.044 ppm2 2.869 CV 1 ASSI { 1094} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.300 0.700 0.700 peak 1094 spectrum 1 weight 0.11000E+01 volume 0.41692E-02 ppm1 8.044 ppm2 2.665 CV 1 ASSI { 1095} (( segid " " and resid 36 and name HN )) (( segid " " and resid 79 and name HZ )) 6.000 4.600 0.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.19233E-03 ppm1 8.045 ppm2 6.908 CV 1 ASSI { 1102} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 4.400 2.400 1.600 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.63937E-03 ppm1 8.826 ppm2 2.069 CV 1 OR { 1102} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) ASSI { 1106} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG1 )) 5.800 4.100 0.200 peak 1106 spectrum 1 weight 0.11000E+01 volume 0.32721E-03 ppm1 8.826 ppm2 2.366 CV 1 OR { 1106} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG2 )) ASSI { 1107} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB1 )) 4.500 2.500 1.500 peak 1107 spectrum 1 weight 0.11000E+01 volume 0.25445E-03 ppm1 8.316 ppm2 3.888 CV 1 ASSI { 1108} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.100 0.500 0.500 peak 1108 spectrum 1 weight 0.11000E+01 volume 0.21831E-02 ppm1 8.833 ppm2 3.578 CV 1 ASSI { 1110} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB2 )) 3.500 1.600 1.600 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.27344E-02 ppm1 8.295 ppm2 2.698 CV 1 OR { 1110} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB1 )) ASSI { 1119} (( segid " " and resid 112 and name HN )) (( segid " " and resid 118 and name HA )) 1.600 0.300 0.600 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.11855E-02 ppm1 8.389 ppm2 4.869 CV 1 ASSI { 1122} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 3.400 1.500 1.500 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.13756E-02 ppm1 7.804 ppm2 4.119 CV 1 ASSI { 1126} (( segid " " and resid 43 and name HN )) ( segid " " and resid 42 and name HD% ) 3.600 1.600 1.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.68341E-03 ppm1 9.108 ppm2 6.973 CV 1 ASSI { 1127} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 1.600 0.300 0.600 peak 1127 spectrum 1 weight 0.11000E+01 volume 0.50432E-02 ppm1 9.108 ppm2 5.283 CV 1 ASSI { 1128} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 1128 spectrum 1 weight 0.11000E+01 volume 0.25244E-02 ppm1 9.108 ppm2 4.945 CV 1 ASSI { 1129} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.000 1.100 1.100 peak 1129 spectrum 1 weight 0.11000E+01 volume 0.11686E-02 ppm1 9.108 ppm2 2.862 CV 1 OR { 1129} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB1 )) ASSI { 1132} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 2.600 0.900 0.900 peak 1132 spectrum 1 weight 0.11000E+01 volume 0.28769E-02 ppm1 9.066 ppm2 4.947 CV 1 ASSI { 1133} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HG2 )) 5.800 4.200 0.200 peak 1133 spectrum 1 weight 0.11000E+01 volume 0.31430E-03 ppm1 9.066 ppm2 2.268 CV 1 OR { 1133} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HG1 )) ASSI { 1134} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB1 )) 3.900 1.900 1.900 peak 1134 spectrum 1 weight 0.11000E+01 volume 0.81441E-03 ppm1 9.066 ppm2 1.946 CV 1 ASSI { 1138} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 1.600 0.300 0.600 peak 1138 spectrum 1 weight 0.11000E+01 volume 0.47414E-02 ppm1 9.256 ppm2 5.204 CV 1 ASSI { 1139} (( segid " " and resid 107 and name HN )) ( segid " " and resid 107 and name HG2%) 3.000 1.100 1.100 peak 1139 spectrum 1 weight 0.11000E+01 volume 0.16777E-02 ppm1 9.034 ppm2 0.638 CV 1 ASSI { 1140} (( segid " " and resid 108 and name HN )) ( segid " " and resid 107 and name HG1%) 4.000 2.000 2.000 peak 1140 spectrum 1 weight 0.11000E+01 volume 0.85640E-03 ppm1 9.216 ppm2 0.718 CV 1 ASSI { 1144} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.200 0.600 0.600 peak 1144 spectrum 1 weight 0.11000E+01 volume 0.39462E-02 ppm1 8.907 ppm2 4.963 CV 1 ASSI { 1146} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HG2 )) 5.500 3.800 0.500 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.75751E-03 ppm1 8.582 ppm2 2.294 CV 1 OR { 1146} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HG1 )) ASSI { 1154} (( segid " " and resid 67 and name HN )) ( segid " " and resid 66 and name HG2%) 4.900 3.100 1.100 peak 1154 spectrum 1 weight 0.11000E+01 volume 0.14011E-02 ppm1 7.812 ppm2 0.660 CV 1 OR { 1154} (( segid " " and resid 67 and name HN )) ( segid " " and resid 66 and name HG1%) ASSI { 1155} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB )) 4.100 2.100 1.900 peak 1155 spectrum 1 weight 0.11000E+01 volume 0.19021E-02 ppm1 7.812 ppm2 1.816 CV 1 ASSI { 1156} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 3.500 1.500 1.500 peak 1156 spectrum 1 weight 0.11000E+01 volume 0.88855E-03 ppm1 7.812 ppm2 3.766 CV 1 ASSI { 1160} (( segid " " and resid 31 and name HN )) (( segid " " and resid 121 and name HA )) 3.600 1.600 1.600 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.35427E-03 ppm1 9.286 ppm2 5.507 CV 1 ASSI { 1161} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 1.600 0.300 0.600 peak 1161 spectrum 1 weight 0.11000E+01 volume 0.48161E-02 ppm1 9.286 ppm2 5.223 CV 1 ASSI { 1162} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB2 )) 5.000 3.100 1.000 peak 1162 spectrum 1 weight 0.11000E+01 volume 0.17656E-03 ppm1 9.066 ppm2 3.095 CV 1 ASSI { 1164} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB1 )) 4.400 2.400 1.600 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.15532E-03 ppm1 9.066 ppm2 3.278 CV 1 ASSI { 1165} (( segid " " and resid 107 and name HN )) (( segid " " and resid 93 and name HA )) 2.400 0.700 0.700 peak 1165 spectrum 1 weight 0.11000E+01 volume 0.20241E-02 ppm1 9.034 ppm2 5.357 CV 1 ASSI { 1167} (( segid " " and resid 42 and name HN )) (( segid " " and resid 32 and name HG1 )) 5.800 4.100 0.200 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.47754E-03 ppm1 8.861 ppm2 0.726 CV 1 OR { 1167} (( segid " " and resid 42 and name HN )) (( segid " " and resid 32 and name HG2 )) ASSI { 1169} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.400 1.400 1.400 peak 1169 spectrum 1 weight 0.11000E+01 volume 0.25565E-02 ppm1 8.861 ppm2 2.030 CV 1 ASSI { 1170} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) 2.400 0.700 0.700 peak 1170 spectrum 1 weight 0.11000E+01 volume 0.27450E-02 ppm1 8.861 ppm2 2.776 CV 1 OR { 1170} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 1176} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 2.100 0.600 0.600 peak 1176 spectrum 1 weight 0.11000E+01 volume 0.61815E-02 ppm1 8.625 ppm2 4.362 CV 1 ASSI { 1186} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 5.800 4.200 0.200 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.36093E-03 ppm1 8.620 ppm2 7.963 CV 1 ASSI { 1188} (( segid " " and resid 62 and name HN )) (( segid " " and resid 39 and name HN )) 4.100 2.100 1.900 peak 1188 spectrum 1 weight 0.11000E+01 volume 0.16857E-03 ppm1 9.238 ppm2 8.752 CV 1 ASSI { 1190} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 38 and name HB1 )) 3.000 1.100 1.100 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.33840E-02 ppm1 8.541 ppm2 2.970 CV 1 ASSI { 1191} (( segid " " and resid 89 and name HD22)) (( segid " " and resid 89 and name HB1 )) 4.700 2.800 1.300 peak 1191 spectrum 1 weight 0.11000E+01 volume 0.69975E-03 ppm1 7.104 ppm2 3.167 CV 1 ASSI { 1194} (( segid " " and resid 87 and name HD22)) (( segid " " and resid 87 and name HB2 )) 4.700 2.700 1.300 peak 1194 spectrum 1 weight 0.11000E+01 volume 0.13587E-02 ppm1 6.941 ppm2 2.713 CV 1 ASSI { 1196} (( segid " " and resid 61 and name HD21)) (( segid " " and resid 61 and name HA )) 5.200 3.400 0.800 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.46758E-03 ppm1 6.876 ppm2 5.000 CV 1 ASSI { 1198} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HD22)) 6.000 6.000 0.000 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.91048E-04 ppm1 9.652 ppm2 7.487 CV 1 ASSI { 1199} (( segid " " and resid 61 and name HD22)) (( segid " " and resid 61 and name HB1 )) 4.300 2.300 1.700 peak 1199 spectrum 1 weight 0.11000E+01 volume 0.27977E-02 ppm1 7.490 ppm2 2.747 CV 1 ASSI { 1200} (( segid " " and resid 61 and name HD21)) (( segid " " and resid 61 and name HB2 )) 3.800 1.800 1.800 peak 1200 spectrum 1 weight 0.11000E+01 volume 0.99130E-03 ppm1 6.875 ppm2 2.619 CV 1 ASSI { 1202} (( segid " " and resid 41 and name HE22)) (( segid " " and resid 41 and name HB1 )) 6.000 6.000 0.000 peak 1202 spectrum 1 weight 0.11000E+01 volume 0.11784E-03 ppm1 7.086 ppm2 2.023 CV 1 ASSI { 1205} (( segid " " and resid 32 and name HE21)) (( segid " " and resid 32 and name HG1 )) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.11000E+01 volume 0.15061E-02 ppm1 7.103 ppm2 0.727 CV 1 OR { 1205} (( segid " " and resid 32 and name HE21)) (( segid " " and resid 32 and name HG2 )) ASSI { 1206} (( segid " " and resid 32 and name HE22)) (( segid " " and resid 32 and name HG1 )) 3.000 1.100 1.100 peak 1206 spectrum 1 weight 0.11000E+01 volume 0.29481E-02 ppm1 6.647 ppm2 0.727 CV 1 OR { 1206} (( segid " " and resid 32 and name HE22)) (( segid " " and resid 32 and name HG2 )) ASSI { 1207} (( segid " " and resid 32 and name HE22)) (( segid " " and resid 32 and name HB2 )) 3.100 1.200 1.200 peak 1207 spectrum 1 weight 0.11000E+01 volume 0.29865E-02 ppm1 6.647 ppm2 1.506 CV 1 OR { 1207} (( segid " " and resid 32 and name HE22)) (( segid " " and resid 32 and name HB1 )) ASSI { 1210} (( segid " " and resid 32 and name HE22)) (( segid " " and resid 32 and name HE21)) 1.300 0.200 0.900 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.70362E-02 ppm1 6.646 ppm2 7.101 CV 1 ASSI { 1212} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB1 )) 4.600 2.600 1.400 peak 1212 spectrum 1 weight 0.11000E+01 volume 0.54760E-03 ppm1 7.911 ppm2 2.756 CV 1 ASSI { 1213} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 4.700 2.800 1.300 peak 1213 spectrum 1 weight 0.11000E+01 volume 0.16789E-03 ppm1 7.911 ppm2 4.789 CV 1 ASSI { 1218} (( segid " " and resid 34 and name HN )) (( segid " " and resid 39 and name HA )) 2.600 0.800 0.800 peak 1218 spectrum 1 weight 0.11000E+01 volume 0.15640E-02 ppm1 8.336 ppm2 4.018 CV 1 ASSI { 1220} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HN )) 5.100 3.300 0.900 peak 1220 spectrum 1 weight 0.11000E+01 volume 0.18560E-03 ppm1 8.785 ppm2 8.338 CV 1 ASSI { 1226} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB1 )) 3.400 1.400 1.400 peak 1226 spectrum 1 weight 0.11000E+01 volume 0.24356E-02 ppm1 8.659 ppm2 2.004 CV 1 ASSI { 1227} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HG1 )) 3.500 1.500 1.500 peak 1227 spectrum 1 weight 0.11000E+01 volume 0.10140E-02 ppm1 8.659 ppm2 2.278 CV 1 OR { 1227} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HG2 )) ASSI { 1228} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB1 )) 3.700 1.700 1.700 peak 1228 spectrum 1 weight 0.11000E+01 volume 0.11965E-02 ppm1 9.084 ppm2 2.004 CV 1 ASSI { 1229} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HG1 )) 6.000 5.000 0.000 peak 1229 spectrum 1 weight 0.11000E+01 volume 0.30238E-03 ppm1 9.084 ppm2 2.278 CV 1 OR { 1229} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HG2 )) ASSI { 1232} (( segid " " and resid 101 and name HN )) ( segid " " and resid 101 and name HG2%) 4.300 2.300 1.700 peak 1232 spectrum 1 weight 0.11000E+01 volume 0.80029E-03 ppm1 7.843 ppm2 1.212 CV 1 ASSI { 1234} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 2.800 1.000 1.000 peak 1234 spectrum 1 weight 0.11000E+01 volume 0.10194E-02 ppm1 8.417 ppm2 3.460 CV 1 ASSI { 1245} (( segid " " and resid 87 and name HN )) (( segid " " and resid 85 and name HA )) 5.600 3.900 0.400 peak 1245 spectrum 1 weight 0.11000E+01 volume 0.36731E-03 ppm1 8.124 ppm2 4.356 CV 1 ASSI { 1246} (( segid " " and resid 87 and name HN )) (( segid " " and resid 84 and name HA )) 3.100 3.100 2.900 peak 1246 spectrum 1 weight 0.11000E+01 volume 0.89492E-03 ppm1 8.124 ppm2 4.071 CV 1 ASSI { 1247} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HA )) 6.000 6.000 0.000 peak 1247 spectrum 1 weight 0.11000E+01 volume 0.37044E-04 ppm1 8.029 ppm2 3.311 CV 1 ASSI { 1248} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HA2 )) 4.600 2.700 1.400 peak 1248 spectrum 1 weight 0.11000E+01 volume 0.15444E-03 ppm1 8.029 ppm2 3.575 CV 1 ASSI { 1249} (( segid " " and resid 84 and name HN )) (( segid " " and resid 81 and name HA )) 2.600 0.800 0.800 peak 1249 spectrum 1 weight 0.11000E+01 volume 0.28401E-02 ppm1 7.726 ppm2 3.973 CV 1 ASSI { 1259} (( segid " " and resid 84 and name HA )) ( segid " " and resid 84 and name HB% ) 2.400 0.700 0.700 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.81597E-02 ppm1 4.058 ppm2 1.419 CV 1 ASSI { 1260} (( segid " " and resid 81 and name HA )) ( segid " " and resid 84 and name HB% ) 3.500 1.500 1.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.32599E-02 ppm1 3.972 ppm2 1.419 CV 1 ASSI { 1264} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB1 )) 2.300 0.700 0.700 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.76648E-02 ppm1 3.972 ppm2 2.013 CV 1 OR { 1264} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB2 )) ASSI { 1265} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 54 and name HD2 )) 1.200 0.200 1.000 peak 1265 spectrum 1 weight 0.11000E+01 volume 0.41902E-01 ppm1 4.063 ppm2 3.984 CV 1 ASSI { 1268} (( segid " " and resid 102 and name HD1 )) (( segid " " and resid 101 and name HA )) 2.300 0.600 0.600 peak 1268 spectrum 1 weight 0.11000E+01 volume 0.31895E-02 ppm1 3.942 ppm2 4.755 CV 1 ASSI { 1269} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 101 and name HA )) 2.700 0.900 0.900 peak 1269 spectrum 1 weight 0.11000E+01 volume 0.31194E-02 ppm1 3.744 ppm2 4.755 CV 1 ASSI { 1271} (( segid " " and resid 102 and name HD1 )) (( segid " " and resid 102 and name HG2 )) 2.900 1.100 1.100 peak 1271 spectrum 1 weight 0.11000E+01 volume 0.16162E-02 ppm1 3.940 ppm2 2.001 CV 1 OR { 1271} (( segid " " and resid 102 and name HD1 )) (( segid " " and resid 102 and name HG1 )) ASSI { 1272} (( segid " " and resid 102 and name HD1 )) (( segid " " and resid 102 and name HB2 )) 4.000 2.000 2.000 peak 1272 spectrum 1 weight 0.11000E+01 volume 0.22699E-02 ppm1 3.940 ppm2 2.157 CV 1 OR { 1272} (( segid " " and resid 102 and name HD1 )) (( segid " " and resid 102 and name HB1 )) ASSI { 1273} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HB1 )) 4.100 2.100 1.900 peak 1273 spectrum 1 weight 0.11000E+01 volume 0.25665E-02 ppm1 3.745 ppm2 2.157 CV 1 OR { 1273} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HB2 )) ASSI { 1274} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HG1 )) 3.000 1.100 1.100 peak 1274 spectrum 1 weight 0.11000E+01 volume 0.14122E-02 ppm1 3.745 ppm2 2.001 CV 1 OR { 1274} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 102 and name HG2 )) ASSI { 1275} (( segid " " and resid 102 and name HD2 )) ( segid " " and resid 101 and name HG2%) 4.100 2.100 1.900 peak 1275 spectrum 1 weight 0.11000E+01 volume 0.27776E-02 ppm1 3.745 ppm2 1.211 CV 1 ASSI { 1276} (( segid " " and resid 102 and name HD1 )) (( segid " " and resid 102 and name HD2 )) 1.600 0.300 0.600 peak 1276 spectrum 1 weight 0.11000E+01 volume 0.70425E-02 ppm1 3.940 ppm2 3.745 CV 1 ASSI { 1277} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HG2%) 5.000 3.200 1.000 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.57841E-03 ppm1 9.240 ppm2 1.172 CV 1 ASSI { 1278} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 53 and name HA )) 2.800 1.000 1.000 peak 1278 spectrum 1 weight 0.11000E+01 volume 0.13094E-02 ppm1 4.063 ppm2 4.884 CV 1 ASSI { 1280} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.500 0.800 0.800 peak 1280 spectrum 1 weight 0.11000E+01 volume 0.27942E-02 ppm1 8.481 ppm2 4.168 CV 1 ASSI { 1282} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 54 and name HB1 )) 5.000 3.100 1.000 peak 1282 spectrum 1 weight 0.11000E+01 volume 0.61561E-03 ppm1 4.061 ppm2 2.436 CV 1 OR { 1282} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 54 and name HB2 )) ASSI { 1283} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 54 and name HB2 )) 5.100 3.300 0.900 peak 1283 spectrum 1 weight 0.11000E+01 volume 0.77933E-03 ppm1 3.985 ppm2 2.434 CV 1 OR { 1283} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 54 and name HB1 )) ASSI { 1284} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HG2 )) 2.100 0.500 0.500 peak 1284 spectrum 1 weight 0.11000E+01 volume 0.16995E-01 ppm1 2.437 ppm2 2.075 CV 1 OR { 1284} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HG1 )) OR { 1284} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HG1 )) OR { 1284} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HG2 )) ASSI { 1285} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 54 and name HG1 )) 2.500 0.800 0.800 peak 1285 spectrum 1 weight 0.11000E+01 volume 0.46653E-02 ppm1 4.061 ppm2 2.075 CV 1 OR { 1285} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 54 and name HG2 )) ASSI { 1286} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 54 and name HG2 )) 2.700 0.900 0.900 peak 1286 spectrum 1 weight 0.11000E+01 volume 0.29070E-02 ppm1 3.984 ppm2 2.075 CV 1 OR { 1286} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 54 and name HG1 )) ASSI { 1287} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 54 and name HA )) 4.400 2.400 1.600 peak 1287 spectrum 1 weight 0.11000E+01 volume 0.16411E-02 ppm1 4.063 ppm2 4.384 CV 1 ASSI { 1288} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 54 and name HA )) 4.400 2.400 1.600 peak 1288 spectrum 1 weight 0.11000E+01 volume 0.26605E-02 ppm1 3.984 ppm2 4.384 CV 1 ASSI { 1289} (( segid " " and resid 54 and name HG1 )) (( segid " " and resid 54 and name HA )) 4.000 2.000 2.000 peak 1289 spectrum 1 weight 0.11000E+01 volume 0.38273E-02 ppm1 2.073 ppm2 4.384 CV 1 OR { 1289} (( segid " " and resid 54 and name HG2 )) (( segid " " and resid 54 and name HA )) ASSI { 1290} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HA )) 2.300 0.700 0.700 peak 1290 spectrum 1 weight 0.11000E+01 volume 0.80683E-02 ppm1 2.437 ppm2 4.384 CV 1 OR { 1290} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) ASSI { 1292} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HG2 )) 3.200 1.300 1.300 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.50279E-02 ppm1 3.972 ppm2 2.168 CV 1 ASSI { 1296} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HB2 )) 1.500 0.300 0.700 peak 1296 spectrum 1 weight 0.11000E+01 volume 0.14755E-01 ppm1 3.888 ppm2 3.785 CV 1 ASSI { 1297} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HA )) 3.000 1.100 1.100 peak 1297 spectrum 1 weight 0.11000E+01 volume 0.32096E-02 ppm1 3.888 ppm2 4.489 CV 1 ASSI { 1298} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HA )) 3.000 1.100 1.100 peak 1298 spectrum 1 weight 0.11000E+01 volume 0.27293E-02 ppm1 3.785 ppm2 4.489 CV 1 ASSI { 1300} (( segid " " and resid 115 and name HA1 )) (( segid " " and resid 115 and name HA2 )) 2.100 0.600 0.600 peak 1300 spectrum 1 weight 0.11000E+01 volume 0.20738E-02 ppm1 4.128 ppm2 3.750 CV 1 ASSI { 1301} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB2 )) 3.500 1.500 1.500 peak 1301 spectrum 1 weight 0.11000E+01 volume 0.67791E-03 ppm1 4.355 ppm2 4.063 CV 1 OR { 1301} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB1 )) ASSI { 1303} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 82 and name HA2 )) 1.300 0.200 0.900 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.28261E-02 ppm1 4.072 ppm2 3.579 CV 1 ASSI { 1307} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB1 )) 3.800 1.800 1.800 peak 1307 spectrum 1 weight 0.11000E+01 volume 0.19689E-02 ppm1 8.625 ppm2 2.064 CV 1 ASSI { 1308} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB1 )) 5.000 3.100 1.000 peak 1308 spectrum 1 weight 0.11000E+01 volume 0.61743E-03 ppm1 8.582 ppm2 2.065 CV 1 ASSI { 1309} (( segid " " and resid 47 and name HA1 )) (( segid " " and resid 47 and name HA2 )) 1.800 0.400 0.400 peak 1309 spectrum 1 weight 0.11000E+01 volume 0.73702E-02 ppm1 4.088 ppm2 3.863 CV 1 ASSI { 1310} (( segid " " and resid 35 and name HN )) ( segid " " and resid 118 and name HD% ) 3.000 1.100 1.100 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.41282E-03 ppm1 8.785 ppm2 6.814 CV 1 ASSI { 1324} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HG2 )) 1.900 0.500 0.500 peak 1324 spectrum 1 weight 0.11000E+01 volume 0.22926E-01 ppm1 2.157 ppm2 2.001 CV 1 OR { 1324} (( segid " " and resid 102 and name HB1 )) (( segid " " and resid 102 and name HG1 )) OR { 1324} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HG1 )) OR { 1324} (( segid " " and resid 102 and name HB1 )) (( segid " " and resid 102 and name HG2 )) ASSI { 1325} (( segid " " and resid 101 and name HB )) (( segid " " and resid 101 and name HA )) 4.000 2.000 2.000 peak 1325 spectrum 1 weight 0.11000E+01 volume 0.20052E-03 ppm1 4.139 ppm2 4.755 CV 1 ASSI { 1337} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA2 )) 3.200 1.300 1.300 peak 1337 spectrum 1 weight 0.11000E+01 volume 0.19459E-02 ppm1 8.447 ppm2 4.018 CV 1 ASSI { 1338} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG2 )) 4.300 2.400 1.700 peak 1338 spectrum 1 weight 0.11000E+01 volume 0.10794E-02 ppm1 8.069 ppm2 2.382 CV 1 ASSI { 1339} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 56 and name HG2 )) 3.800 1.800 1.800 peak 1339 spectrum 1 weight 0.11000E+01 volume 0.10366E-02 ppm1 7.667 ppm2 2.381 CV 1 ASSI { 1340} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 56 and name HG1 )) 3.900 1.900 1.900 peak 1340 spectrum 1 weight 0.11000E+01 volume 0.10085E-02 ppm1 7.667 ppm2 2.436 CV 1 ASSI { 1342} (( segid " " and resid 56 and name HE22)) (( segid " " and resid 56 and name HG2 )) 5.500 3.800 0.500 peak 1342 spectrum 1 weight 0.11000E+01 volume 0.61493E-03 ppm1 6.946 ppm2 2.379 CV 1 ASSI { 1343} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 2.200 0.600 0.600 peak 1343 spectrum 1 weight 0.11000E+01 volume 0.26335E-02 ppm1 8.069 ppm2 4.168 CV 1 ASSI { 1344} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 3.300 1.400 1.400 peak 1344 spectrum 1 weight 0.11000E+01 volume 0.11319E-02 ppm1 8.621 ppm2 4.884 CV 1 ASSI { 1345} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 3.400 1.500 1.500 peak 1345 spectrum 1 weight 0.11000E+01 volume 0.96407E-03 ppm1 7.812 ppm2 3.679 CV 1 ASSI { 1349} ( segid " " and resid 76 and name HE% ) ( segid " " and resid 76 and name HD% ) 2.300 0.600 0.600 peak 1349 spectrum 1 weight 0.11000E+01 volume 0.17298E-01 ppm1 6.566 ppm2 6.321 CV 1 ASSI { 1350} ( segid " " and resid 118 and name HD% ) ( segid " " and resid 118 and name HE% ) 1.500 0.300 0.700 peak 1350 spectrum 1 weight 0.11000E+01 volume 0.16793E-01 ppm1 6.814 ppm2 6.582 CV 1 ASSI { 1351} ( segid " " and resid 42 and name HD% ) ( segid " " and resid 42 and name HE% ) 1.700 0.300 0.500 peak 1351 spectrum 1 weight 0.11000E+01 volume 0.30201E-01 ppm1 6.975 ppm2 6.649 CV 1 ASSI { 1352} (( segid " " and resid 119 and name HE3 )) (( segid " " and resid 119 and name HZ3 )) 1.500 0.300 0.700 peak 1352 spectrum 1 weight 0.11000E+01 volume 0.15335E-01 ppm1 6.916 ppm2 6.660 CV 1 ASSI { 1353} ( segid " " and resid 121 and name HE% ) (( segid " " and resid 121 and name HZ )) 1.600 0.300 0.600 peak 1353 spectrum 1 weight 0.11000E+01 volume 0.16186E-01 ppm1 6.993 ppm2 6.737 CV 1 ASSI { 1362} ( segid " " and resid 96 and name HD% ) ( segid " " and resid 96 and name HE% ) 2.000 0.500 0.500 peak 1362 spectrum 1 weight 0.11000E+01 volume 0.33247E-01 ppm1 7.310 ppm2 7.174 CV 1 ASSI { 1368} (( segid " " and resid 119 and name HZ2 )) (( segid " " and resid 119 and name HZ3 )) 3.500 1.500 1.500 peak 1368 spectrum 1 weight 0.11000E+01 volume 0.45977E-02 ppm1 7.320 ppm2 6.660 CV 1 ASSI { 1369} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 121 and name HZ )) 3.700 1.700 1.700 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.23895E-02 ppm1 7.248 ppm2 6.737 CV 1 ASSI { 1370} ( segid " " and resid 98 and name HD% ) ( segid " " and resid 98 and name HE% ) 2.200 0.600 0.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.24400E-01 ppm1 7.180 ppm2 6.842 CV 1 ASSI { 1374} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 118 and name HB2 )) 4.100 2.100 1.900 peak 1374 spectrum 1 weight 0.11000E+01 volume 0.69272E-03 ppm1 6.582 ppm2 2.695 CV 1 ASSI { 1375} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 118 and name HB1 )) 4.200 2.200 1.800 peak 1375 spectrum 1 weight 0.11000E+01 volume 0.61185E-03 ppm1 6.582 ppm2 2.861 CV 1 ASSI { 1376} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 118 and name HB1 )) 1.600 0.300 0.600 peak 1376 spectrum 1 weight 0.11000E+01 volume 0.59719E-02 ppm1 6.814 ppm2 2.861 CV 1 ASSI { 1377} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 118 and name HB2 )) 1.600 0.300 0.600 peak 1377 spectrum 1 weight 0.11000E+01 volume 0.69363E-02 ppm1 6.814 ppm2 2.699 CV 1 ASSI { 1378} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HG2%) 2.200 0.600 0.600 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.10716E-02 ppm1 9.575 ppm2 0.305 CV 1 ASSI { 1379} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD1%) 4.600 2.700 1.400 peak 1379 spectrum 1 weight 0.11000E+01 volume 0.14777E-02 ppm1 9.575 ppm2 0.766 CV 1 ASSI { 1380} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.100 1.200 1.200 peak 1380 spectrum 1 weight 0.11000E+01 volume 0.96230E-03 ppm1 7.438 ppm2 1.973 CV 1 ASSI { 1382} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 41 and name HB1 )) 4.300 2.300 1.700 peak 1382 spectrum 1 weight 0.11000E+01 volume 0.90765E-03 ppm1 7.602 ppm2 2.023 CV 1 ASSI { 1383} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.900 1.900 1.900 peak 1383 spectrum 1 weight 0.11000E+01 volume 0.15038E-02 ppm1 8.860 ppm2 1.972 CV 1 ASSI { 1384} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 42 and name HB2 )) 1.900 0.400 0.400 peak 1384 spectrum 1 weight 0.11000E+01 volume 0.99890E-02 ppm1 6.974 ppm2 2.777 CV 1 OR { 1384} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 42 and name HB1 )) ASSI { 1385} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 42 and name HA )) 2.300 0.700 0.700 peak 1385 spectrum 1 weight 0.11000E+01 volume 0.30374E-02 ppm1 6.975 ppm2 5.290 CV 1 ASSI { 1386} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) 3.500 1.500 1.500 peak 1386 spectrum 1 weight 0.11000E+01 volume 0.16811E-02 ppm1 9.239 ppm2 1.983 CV 1 ASSI { 1387} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.600 1.600 1.600 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.10047E-02 ppm1 9.238 ppm2 1.816 CV 1 ASSI { 1388} ( segid " " and resid 62 and name HE% ) ( segid " " and resid 62 and name HD% ) 2.600 0.800 0.800 peak 1388 spectrum 1 weight 0.11000E+01 volume 0.81299E-02 ppm1 6.870 ppm2 5.710 CV 1 ASSI { 1389} (( segid " " and resid 62 and name HZ )) ( segid " " and resid 62 and name HD% ) 5.000 3.100 1.000 peak 1389 spectrum 1 weight 0.11000E+01 volume 0.19028E-02 ppm1 6.961 ppm2 5.710 CV 1 ASSI { 1393} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 121 and name HA )) 2.800 1.000 1.000 peak 1393 spectrum 1 weight 0.11000E+01 volume 0.17612E-02 ppm1 7.248 ppm2 5.507 CV 1 ASSI { 1394} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.200 0.600 0.600 peak 1394 spectrum 1 weight 0.11000E+01 volume 0.13070E-02 ppm1 9.434 ppm2 3.163 CV 1 ASSI { 1395} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 121 and name HB2 )) 2.100 0.600 0.600 peak 1395 spectrum 1 weight 0.11000E+01 volume 0.33783E-02 ppm1 7.248 ppm2 3.163 CV 1 ASSI { 1396} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 121 and name HB1 )) 2.000 0.500 0.500 peak 1396 spectrum 1 weight 0.11000E+01 volume 0.42709E-02 ppm1 7.248 ppm2 3.200 CV 1 ASSI { 1397} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HB2 )) 2.200 0.600 0.600 peak 1397 spectrum 1 weight 0.11000E+01 volume 0.10709E-02 ppm1 6.844 ppm2 2.581 CV 1 ASSI { 1398} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HB1 )) 2.500 2.500 3.500 peak 1398 spectrum 1 weight 0.11000E+01 volume 0.29498E-02 ppm1 6.844 ppm2 2.745 CV 1 ASSI { 1399} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 118 and name HA )) 2.900 1.000 1.000 peak 1399 spectrum 1 weight 0.11000E+01 volume 0.62992E-03 ppm1 6.813 ppm2 4.867 CV 1 ASSI { 1400} ( segid " " and resid 92 and name HD% ) (( segid " " and resid 92 and name HB2 )) 2.500 0.800 0.800 peak 1400 spectrum 1 weight 0.11000E+01 volume 0.56351E-02 ppm1 7.122 ppm2 3.096 CV 1 ASSI { 1401} ( segid " " and resid 92 and name HD% ) (( segid " " and resid 92 and name HB1 )) 2.400 0.700 0.700 peak 1401 spectrum 1 weight 0.11000E+01 volume 0.52368E-02 ppm1 7.122 ppm2 3.277 CV 1 ASSI { 1402} ( segid " " and resid 92 and name HD% ) (( segid " " and resid 92 and name HA )) 3.400 1.400 1.400 peak 1402 spectrum 1 weight 0.11000E+01 volume 0.29272E-02 ppm1 7.121 ppm2 4.948 CV 1 ASSI { 1404} ( segid " " and resid 79 and name HD% ) (( segid " " and resid 79 and name HA )) 2.700 0.900 0.900 peak 1404 spectrum 1 weight 0.11000E+01 volume 0.33133E-02 ppm1 6.939 ppm2 4.099 CV 1 ASSI { 1405} ( segid " " and resid 79 and name HD% ) (( segid " " and resid 79 and name HB1 )) 2.200 0.600 0.600 peak 1405 spectrum 1 weight 0.11000E+01 volume 0.40664E-02 ppm1 6.939 ppm2 3.011 CV 1 ASSI { 1406} ( segid " " and resid 79 and name HD% ) (( segid " " and resid 79 and name HB2 )) 2.400 0.700 0.700 peak 1406 spectrum 1 weight 0.11000E+01 volume 0.30492E-02 ppm1 6.939 ppm2 2.972 CV 1 ASSI { 1407} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.500 1.500 1.500 peak 1407 spectrum 1 weight 0.11000E+01 volume 0.19364E-03 ppm1 7.568 ppm2 2.972 CV 1 ASSI { 1408} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 4.200 2.200 1.800 peak 1408 spectrum 1 weight 0.11000E+01 volume 0.78558E-03 ppm1 8.337 ppm2 2.980 CV 1 ASSI { 1409} (( segid " " and resid 87 and name HD21)) (( segid " " and resid 87 and name HB2 )) 3.500 1.500 1.500 peak 1409 spectrum 1 weight 0.11000E+01 volume 0.16586E-02 ppm1 7.561 ppm2 2.713 CV 1 ASSI { 1410} (( segid " " and resid 87 and name HD22)) (( segid " " and resid 87 and name HB1 )) 4.400 2.400 1.600 peak 1410 spectrum 1 weight 0.11000E+01 volume 0.15829E-02 ppm1 6.941 ppm2 2.756 CV 1 ASSI { 1411} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB1 )) 3.400 1.400 1.400 peak 1411 spectrum 1 weight 0.11000E+01 volume 0.19814E-02 ppm1 8.124 ppm2 2.756 CV 1 ASSI { 1412} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB1 )) 4.900 3.000 1.100 peak 1412 spectrum 1 weight 0.11000E+01 volume 0.39125E-03 ppm1 7.881 ppm2 2.756 CV 1 ASSI { 1414} ( segid " " and resid 76 and name HD% ) (( segid " " and resid 76 and name HA )) 3.300 1.400 1.400 peak 1414 spectrum 1 weight 0.11000E+01 volume 0.38507E-02 ppm1 6.319 ppm2 3.660 CV 1 ASSI { 1415} ( segid " " and resid 76 and name HD% ) (( segid " " and resid 76 and name HB1 )) 3.000 1.200 1.200 peak 1415 spectrum 1 weight 0.11000E+01 volume 0.22698E-02 ppm1 6.318 ppm2 3.083 CV 1 ASSI { 1416} ( segid " " and resid 76 and name HD% ) (( segid " " and resid 76 and name HB2 )) 3.000 1.100 1.100 peak 1416 spectrum 1 weight 0.11000E+01 volume 0.26551E-02 ppm1 6.319 ppm2 2.886 CV 1 ASSI { 1417} (( segid " " and resid 69 and name H3 )) (( segid " " and resid 69 and name HD1 )) 2.800 1.000 1.000 peak 1417 spectrum 1 weight 0.11000E+01 volume 0.52960E-02 ppm1 7.324 ppm2 5.972 CV 1 OR { 1417} (( segid " " and resid 69 and name H3 )) (( segid " " and resid 69 and name HD2 )) ASSI { 1420} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 108 and name HA )) 2.300 0.600 0.600 peak 1420 spectrum 1 weight 0.11000E+01 volume 0.30308E-02 ppm1 7.080 ppm2 5.746 CV 1 ASSI { 1421} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 91 and name HA )) 4.000 2.000 2.000 peak 1421 spectrum 1 weight 0.11000E+01 volume 0.61731E-03 ppm1 7.080 ppm2 5.783 CV 1 ASSI { 1422} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 83 and name HG1%) 5.500 3.700 0.500 peak 1422 spectrum 1 weight 0.11000E+01 volume 0.12556E-02 ppm1 7.353 ppm2 -0.504 CV 1 ASSI { 1423} ( segid " " and resid 79 and name HD% ) ( segid " " and resid 83 and name HG1%) 5.600 5.600 0.400 peak 1423 spectrum 1 weight 0.11000E+01 volume 0.24671E-02 ppm1 6.940 ppm2 -0.504 CV 1 ASSI { 1424} (( segid " " and resid 79 and name HZ )) ( segid " " and resid 83 and name HG1%) 4.600 4.600 1.400 peak 1424 spectrum 1 weight 0.11000E+01 volume 0.35517E-02 ppm1 6.902 ppm2 -0.504 CV 1 ASSI { 1425} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 79 and name HD% ) 1.900 0.500 0.500 peak 1425 spectrum 1 weight 0.11000E+01 volume 0.94240E-02 ppm1 7.351 ppm2 6.934 CV 1 ASSI { 1426} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 79 and name HZ )) 1.600 0.300 0.600 peak 1426 spectrum 1 weight 0.11000E+01 volume 0.11116E-01 ppm1 7.351 ppm2 6.900 CV 1 ASSI { 1427} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD1%) 4.000 2.000 2.000 peak 1427 spectrum 1 weight 0.11000E+01 volume 0.45935E-03 ppm1 9.450 ppm2 0.229 CV 1 ASSI { 1428} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG )) 1.900 0.400 0.400 peak 1428 spectrum 1 weight 0.11000E+01 volume 0.15775E-02 ppm1 9.450 ppm2 1.251 CV 1 ASSI { 1429} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD2%) 5.100 3.200 0.900 peak 1429 spectrum 1 weight 0.11000E+01 volume 0.26572E-03 ppm1 9.450 ppm2 -0.489 CV 1 ASSI { 1431} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.500 1.500 1.500 peak 1431 spectrum 1 weight 0.11000E+01 volume 0.62957E-03 ppm1 9.450 ppm2 1.634 CV 1 ASSI { 1433} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA2 )) 2.900 1.100 1.100 peak 1433 spectrum 1 weight 0.11000E+01 volume 0.22249E-02 ppm1 8.544 ppm2 3.977 CV 1 OR { 1433} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA1 )) ASSI { 1435} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB )) 2.700 0.900 0.900 peak 1435 spectrum 1 weight 0.11000E+01 volume 0.64417E-02 ppm1 8.392 ppm2 1.401 CV 1 ASSI { 1436} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HG2%) 3.100 1.200 1.200 peak 1436 spectrum 1 weight 0.11000E+01 volume 0.14247E-03 ppm1 9.286 ppm2 0.779 CV 1 ASSI { 1437} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG11)) 5.000 3.200 1.000 peak 1437 spectrum 1 weight 0.11000E+01 volume 0.31124E-03 ppm1 9.286 ppm2 0.532 CV 1 ASSI { 1438} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG12)) 4.500 2.500 1.500 peak 1438 spectrum 1 weight 0.11000E+01 volume 0.42575E-03 ppm1 9.286 ppm2 0.514 CV 1 ASSI { 1439} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG11)) 2.300 0.600 0.600 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.19502E-02 ppm1 8.393 ppm2 0.532 CV 1 ASSI { 1443} (( segid " " and resid 32 and name HN )) (( segid " " and resid 41 and name HB2 )) 5.400 3.700 0.600 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.52509E-03 ppm1 8.392 ppm2 1.970 CV 1 ASSI { 1447} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB1 )) 3.900 1.900 1.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.44084E-03 ppm1 8.336 ppm2 1.751 CV 1 ASSI { 1452} (( segid " " and resid 37 and name HN )) (( segid " " and resid 33 and name HB2 )) 5.200 3.300 0.800 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.24466E-03 ppm1 8.678 ppm2 1.636 CV 1 ASSI { 1454} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB1 )) 5.800 4.200 0.200 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.21784E-03 ppm1 8.968 ppm2 2.872 CV 1 ASSI { 1455} (( segid " " and resid 38 and name HN )) (( segid " " and resid 33 and name HA )) 5.300 3.500 0.700 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.28800E-03 ppm1 8.968 ppm2 5.459 CV 1 ASSI { 1457} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG12)) 2.300 0.600 0.600 peak 1457 spectrum 1 weight 0.11000E+01 volume 0.13709E-02 ppm1 8.753 ppm2 0.732 CV 1 ASSI { 1458} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HD1%) 3.300 1.400 1.400 peak 1458 spectrum 1 weight 0.11000E+01 volume 0.16731E-02 ppm1 8.753 ppm2 0.647 CV 1 ASSI { 1459} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HG2%) 4.000 2.000 2.000 peak 1459 spectrum 1 weight 0.11000E+01 volume 0.75014E-03 ppm1 8.753 ppm2 0.306 CV 1 ASSI { 1464} (( segid " " and resid 41 and name HN )) (( segid " " and resid 31 and name HG11)) 5.300 3.500 0.700 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.18973E-03 ppm1 7.438 ppm2 0.529 CV 1 ASSI { 1465} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) 4.700 2.800 1.300 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.64149E-03 ppm1 8.480 ppm2 2.444 CV 1 OR { 1465} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) ASSI { 1466} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HG2 )) 4.800 2.900 1.200 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.54464E-03 ppm1 8.481 ppm2 2.076 CV 1 OR { 1466} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HG1 )) ASSI { 1467} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG1 )) 3.800 1.800 1.800 peak 1467 spectrum 1 weight 0.11000E+01 volume 0.96787E-03 ppm1 8.481 ppm2 2.156 CV 1 ASSI { 1469} (( segid " " and resid 56 and name HN )) ( segid " " and resid 57 and name HG2%) 6.000 5.100 0.000 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.36374E-03 ppm1 8.068 ppm2 0.616 CV 1 OR { 1469} (( segid " " and resid 56 and name HN )) ( segid " " and resid 57 and name HG1%) ASSI { 1472} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB )) 3.400 1.400 1.400 peak 1472 spectrum 1 weight 0.11000E+01 volume 0.21854E-02 ppm1 8.372 ppm2 2.029 CV 1 ASSI { 1473} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HD1%) 3.000 3.000 3.000 peak 1473 spectrum 1 weight 0.11000E+01 volume 0.93250E-03 ppm1 8.372 ppm2 0.932 CV 1 ASSI { 1474} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG2 )) 3.500 1.600 1.600 peak 1474 spectrum 1 weight 0.11000E+01 volume 0.96557E-03 ppm1 8.481 ppm2 2.118 CV 1 ASSI { 1476} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 4.300 2.300 1.700 peak 1476 spectrum 1 weight 0.11000E+01 volume 0.65286E-03 ppm1 8.069 ppm2 1.844 CV 1 ASSI { 1477} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.900 1.900 1.900 peak 1477 spectrum 1 weight 0.11000E+01 volume 0.66641E-03 ppm1 8.069 ppm2 1.905 CV 1 ASSI { 1480} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.500 1.500 1.500 peak 1480 spectrum 1 weight 0.11000E+01 volume 0.10226E-02 ppm1 7.631 ppm2 4.239 CV 1 ASSI { 1481} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HG2%) 3.600 1.600 1.600 peak 1481 spectrum 1 weight 0.11000E+01 volume 0.21869E-02 ppm1 7.631 ppm2 0.616 CV 1 OR { 1481} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HG1%) ASSI { 1482} (( segid " " and resid 58 and name HN )) ( segid " " and resid 57 and name HG1%) 4.200 2.200 1.800 peak 1482 spectrum 1 weight 0.11000E+01 volume 0.14310E-02 ppm1 7.563 ppm2 0.616 CV 1 OR { 1482} (( segid " " and resid 58 and name HN )) ( segid " " and resid 57 and name HG2%) ASSI { 1483} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG12)) 3.600 1.600 1.600 peak 1483 spectrum 1 weight 0.11000E+01 volume 0.20816E-02 ppm1 7.563 ppm2 1.180 CV 1 OR { 1483} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG11)) ASSI { 1484} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HD1%) 4.800 2.900 1.200 peak 1484 spectrum 1 weight 0.11000E+01 volume 0.21398E-02 ppm1 7.563 ppm2 0.903 CV 1 ASSI { 1485} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG2%) 3.200 1.300 1.300 peak 1485 spectrum 1 weight 0.11000E+01 volume 0.25802E-02 ppm1 7.563 ppm2 1.666 CV 1 ASSI { 1486} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB )) 2.800 1.000 1.000 peak 1486 spectrum 1 weight 0.11000E+01 volume 0.56780E-02 ppm1 7.563 ppm2 1.836 CV 1 ASSI { 1487} (( segid " " and resid 87 and name HD21)) (( segid " " and resid 86 and name HA1 )) 4.200 2.200 1.800 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.56251E-03 ppm1 7.563 ppm2 4.240 CV 1 ASSI { 1488} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB )) 4.300 2.300 1.700 peak 1488 spectrum 1 weight 0.11000E+01 volume 0.53129E-03 ppm1 7.564 ppm2 2.019 CV 1 ASSI { 1489} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB )) 4.000 2.000 2.000 peak 1489 spectrum 1 weight 0.11000E+01 volume 0.56605E-03 ppm1 7.631 ppm2 2.020 CV 1 ASSI { 1490} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 2.700 0.900 0.900 peak 1490 spectrum 1 weight 0.11000E+01 volume 0.16213E-02 ppm1 7.563 ppm2 4.064 CV 1 ASSI { 1491} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HD1%) 2.500 2.500 3.500 peak 1491 spectrum 1 weight 0.11000E+01 volume 0.31296E-02 ppm1 9.015 ppm2 0.903 CV 1 ASSI { 1494} (( segid " " and resid 59 and name HN )) (( segid " " and resid 39 and name HB )) 2.800 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.10132E-02 ppm1 9.015 ppm2 2.030 CV 1 ASSI { 1495} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB )) 4.200 2.200 1.800 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.36245E-03 ppm1 9.015 ppm2 1.840 CV 1 ASSI { 1496} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA1 )) 3.200 1.300 1.300 peak 1496 spectrum 1 weight 0.11000E+01 volume 0.13945E-02 ppm1 7.717 ppm2 4.341 CV 1 ASSI { 1497} (( segid " " and resid 60 and name HN )) (( segid " " and resid 39 and name HB )) 1.900 0.400 0.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.18913E-02 ppm1 7.717 ppm2 2.038 CV 1 ASSI { 1498} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HD2 )) 6.000 4.500 0.000 peak 1498 spectrum 1 weight 0.11000E+01 volume 0.49249E-03 ppm1 7.717 ppm2 0.726 CV 1 ASSI { 1500} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HD% ) 5.800 4.200 0.200 peak 1500 spectrum 1 weight 0.11000E+01 volume 0.38859E-03 ppm1 9.241 ppm2 5.710 CV 1 ASSI { 1502} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 2.700 0.900 0.900 peak 1502 spectrum 1 weight 0.11000E+01 volume 0.22061E-02 ppm1 7.809 ppm2 4.189 CV 1 ASSI { 1503} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 3.400 1.500 1.500 peak 1503 spectrum 1 weight 0.11000E+01 volume 0.47265E-03 ppm1 7.911 ppm2 4.189 CV 1 ASSI { 1504} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB2 )) 4.600 2.600 1.400 peak 1504 spectrum 1 weight 0.11000E+01 volume 0.68464E-03 ppm1 7.911 ppm2 2.714 CV 1 ASSI { 1506} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG2 )) 4.000 2.000 2.000 peak 1506 spectrum 1 weight 0.11000E+01 volume 0.20141E-02 ppm1 7.809 ppm2 1.424 CV 1 ASSI { 1507} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.500 1.600 1.600 peak 1507 spectrum 1 weight 0.11000E+01 volume 0.20911E-02 ppm1 7.809 ppm2 1.736 CV 1 OR { 1507} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB1 )) ASSI { 1508} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HD1 )) 5.000 3.100 1.000 peak 1508 spectrum 1 weight 0.11000E+01 volume 0.19181E-02 ppm1 7.809 ppm2 1.246 CV 1 OR { 1508} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HD2 )) ASSI { 1509} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB2 )) 5.100 3.200 0.900 peak 1509 spectrum 1 weight 0.11000E+01 volume 0.51868E-03 ppm1 6.658 ppm2 2.714 CV 1 ASSI { 1510} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HA )) 4.800 2.900 1.200 peak 1510 spectrum 1 weight 0.11000E+01 volume 0.57158E-03 ppm1 8.388 ppm2 3.459 CV 1 ASSI { 1511} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA1 )) 3.500 1.600 1.600 peak 1511 spectrum 1 weight 0.11000E+01 volume 0.83610E-03 ppm1 8.388 ppm2 4.015 CV 1 OR { 1511} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA2 )) ASSI { 1512} (( segid " " and resid 82 and name HN )) (( segid " " and resid 80 and name HA )) 4.600 2.600 1.400 peak 1512 spectrum 1 weight 0.11000E+01 volume 0.23430E-03 ppm1 7.817 ppm2 3.438 CV 1 ASSI { 1513} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HG1 )) 5.300 3.600 0.700 peak 1513 spectrum 1 weight 0.11000E+01 volume 0.45541E-03 ppm1 7.817 ppm2 2.344 CV 1 ASSI { 1514} (( segid " " and resid 83 and name HN )) ( segid " " and resid 84 and name HB% ) 5.700 4.100 0.300 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.97857E-03 ppm1 8.248 ppm2 1.417 CV 1 ASSI { 1515} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HG1%) 4.500 2.500 1.500 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.87166E-03 ppm1 7.725 ppm2 -0.504 CV 1 ASSI { 1516} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HG )) 5.500 3.700 0.500 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.21461E-03 ppm1 8.124 ppm2 1.049 CV 1 ASSI { 1517} (( segid " " and resid 87 and name HN )) (( segid " " and resid 111 and name HD1 )) 6.000 5.500 0.000 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.77034E-04 ppm1 8.124 ppm2 1.722 CV 1 ASSI { 1519} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 96 and name HB2 )) 2.900 1.000 1.000 peak 1519 spectrum 1 weight 0.11000E+01 volume 0.22533E-02 ppm1 7.310 ppm2 3.166 CV 1 ASSI { 1520} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 96 and name HB1 )) 2.900 1.000 1.000 peak 1520 spectrum 1 weight 0.11000E+01 volume 0.29061E-02 ppm1 7.310 ppm2 3.299 CV 1 ASSI { 1521} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 96 and name HA )) 3.300 1.400 1.400 peak 1521 spectrum 1 weight 0.11000E+01 volume 0.28557E-02 ppm1 7.310 ppm2 5.002 CV 1 ASSI { 1522} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 96 and name HZ )) 4.000 2.000 2.000 peak 1522 spectrum 1 weight 0.11000E+01 volume 0.66420E-02 ppm1 7.311 ppm2 7.095 CV 1 ASSI { 1523} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 2.800 1.000 1.000 peak 1523 spectrum 1 weight 0.11000E+01 volume 0.18109E-02 ppm1 8.597 ppm2 5.002 CV 1 ASSI { 1528} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 2.400 0.700 0.700 peak 1528 spectrum 1 weight 0.11000E+01 volume 0.35448E-02 ppm1 8.914 ppm2 1.725 CV 1 ASSI { 1529} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB1 )) 2.200 0.600 0.600 peak 1529 spectrum 1 weight 0.11000E+01 volume 0.48633E-02 ppm1 8.914 ppm2 1.796 CV 1 ASSI { 1530} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG1 )) 5.200 3.300 0.800 peak 1530 spectrum 1 weight 0.11000E+01 volume 0.65164E-03 ppm1 8.914 ppm2 1.448 CV 1 ASSI { 1531} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG2 )) 5.000 3.200 1.000 peak 1531 spectrum 1 weight 0.11000E+01 volume 0.67119E-03 ppm1 8.914 ppm2 1.368 CV 1 ASSI { 1532} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HG2 )) 2.700 0.900 0.900 peak 1532 spectrum 1 weight 0.11000E+01 volume 0.11775E-02 ppm1 9.256 ppm2 1.368 CV 1 ASSI { 1533} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HG1 )) 3.100 1.200 1.200 peak 1533 spectrum 1 weight 0.11000E+01 volume 0.45359E-03 ppm1 9.256 ppm2 1.446 CV 1 ASSI { 1534} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB1 )) 4.000 2.000 2.000 peak 1534 spectrum 1 weight 0.11000E+01 volume 0.66225E-03 ppm1 9.256 ppm2 1.796 CV 1 ASSI { 1535} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 4.800 2.900 1.200 peak 1535 spectrum 1 weight 0.11000E+01 volume 0.27299E-03 ppm1 9.256 ppm2 1.725 CV 1 ASSI { 1538} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HG2 )) 3.500 1.500 1.500 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.15828E-02 ppm1 9.034 ppm2 1.362 CV 1 OR { 1538} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HG1 )) ASSI { 1539} (( segid " " and resid 107 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.800 1.900 1.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.12061E-02 ppm1 9.034 ppm2 1.808 CV 1 ASSI { 1540} (( segid " " and resid 107 and name HN )) (( segid " " and resid 91 and name HB1 )) 4.900 3.000 1.100 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.26476E-03 ppm1 9.034 ppm2 1.955 CV 1 ASSI { 1542} (( segid " " and resid 113 and name HN )) ( segid " " and resid 113 and name HD2%) 6.000 6.000 0.000 peak 1542 spectrum 1 weight 0.11000E+01 volume 0.19920E-03 ppm1 8.815 ppm2 0.915 CV 1 OR { 1542} (( segid " " and resid 113 and name HN )) ( segid " " and resid 113 and name HD1%) ASSI { 1543} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG )) 4.900 3.000 1.100 peak 1543 spectrum 1 weight 0.11000E+01 volume 0.28242E-03 ppm1 8.815 ppm2 1.655 CV 1 ASSI { 1546} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 110 and name HG2 )) 5.200 3.300 0.800 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.11925E-02 ppm1 6.814 ppm2 1.477 CV 1 OR { 1546} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 110 and name HG1 )) ASSI { 1551} (( segid " " and resid 119 and name HE3 )) (( segid " " and resid 119 and name HB2 )) 3.000 1.100 1.100 peak 1551 spectrum 1 weight 0.11000E+01 volume 0.20998E-02 ppm1 6.916 ppm2 2.581 CV 1 ASSI { 1552} (( segid " " and resid 119 and name HE3 )) (( segid " " and resid 119 and name HB1 )) 1.700 0.400 0.500 peak 1552 spectrum 1 weight 0.11000E+01 volume 0.35196E-02 ppm1 6.916 ppm2 2.745 CV 1 ASSI { 1553} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HA )) 3.400 1.400 1.400 peak 1553 spectrum 1 weight 0.11000E+01 volume 0.27083E-03 ppm1 6.844 ppm2 5.136 CV 1 ASSI { 1554} (( segid " " and resid 119 and name HE3 )) (( segid " " and resid 119 and name HA )) 3.100 1.200 1.200 peak 1554 spectrum 1 weight 0.11000E+01 volume 0.11281E-02 ppm1 6.916 ppm2 5.136 CV 1 ASSI { 1557} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HG1%) 4.200 2.200 1.800 peak 1557 spectrum 1 weight 0.11000E+01 volume 0.23234E-03 ppm1 9.434 ppm2 1.553 CV 1 ASSI { 1558} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HG2%) 2.800 1.000 1.000 peak 1558 spectrum 1 weight 0.11000E+01 volume 0.10222E-02 ppm1 9.381 ppm2 0.641 CV 1 ASSI { 1560} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HG2%) 2.700 2.700 3.300 peak 1560 spectrum 1 weight 0.11000E+01 volume 0.19068E-02 ppm1 9.434 ppm2 0.641 CV 1 ASSI { 1561} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB1 )) 3.200 1.200 1.200 peak 1561 spectrum 1 weight 0.11000E+01 volume 0.13720E-02 ppm1 8.632 ppm2 1.339 CV 1 ASSI { 1562} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HD1 )) 5.700 4.000 0.300 peak 1562 spectrum 1 weight 0.11000E+01 volume 0.33515E-03 ppm1 8.632 ppm2 2.988 CV 1 OR { 1562} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HD2 )) ASSI { 1563} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 33 and name HD1%) 3.100 1.200 1.200 peak 1563 spectrum 1 weight 0.11000E+01 volume 0.11893E-02 ppm1 7.351 ppm2 0.228 CV 1 ASSI { 1564} ( segid " " and resid 79 and name HD% ) ( segid " " and resid 33 and name HD1%) 4.600 2.600 1.400 peak 1564 spectrum 1 weight 0.11000E+01 volume 0.14450E-02 ppm1 6.934 ppm2 0.228 CV 1 ASSI { 1565} (( segid " " and resid 79 and name HZ )) ( segid " " and resid 33 and name HD1%) 2.400 0.700 0.700 peak 1565 spectrum 1 weight 0.11000E+01 volume 0.32700E-02 ppm1 6.900 ppm2 0.228 CV 1 ASSI { 1579} ( segid " " and resid 92 and name HD% ) ( segid " " and resid 107 and name HG2%) 4.000 2.000 2.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.27322E-02 ppm1 7.119 ppm2 0.635 CV 1 ASSI { 1581} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 31 and name HG11)) 1.800 0.400 0.400 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.72773E-02 ppm1 6.973 ppm2 0.523 CV 1 OR { 1581} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 31 and name HG12)) ASSI { 1584} ( segid " " and resid 118 and name HD% ) ( segid " " and resid 83 and name HG2%) 3.600 1.700 1.700 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.19546E-02 ppm1 6.815 ppm2 0.667 CV 1 ASSI { 1592} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 88 and name HG )) 2.800 2.800 3.200 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.16196E-02 ppm1 6.815 ppm2 1.048 CV 1 ASSI { 1596} ( segid " " and resid 118 and name HE% ) ( segid " " and resid 83 and name HG2%) 2.600 2.600 3.400 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.43719E-02 ppm1 6.583 ppm2 0.666 CV 1 ASSI { 1607} ( segid " " and resid 96 and name HE% ) ( segid " " and resid 103 and name HG2%) 2.300 2.300 3.700 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.45220E-02 ppm1 7.174 ppm2 1.172 CV 1 ASSI { 1608} ( segid " " and resid 96 and name HD% ) ( segid " " and resid 103 and name HG2%) 5.000 3.100 1.000 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.76647E-03 ppm1 7.308 ppm2 1.170 CV 1 ASSI { 1615} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 110 and name HG1 )) 3.900 1.900 1.900 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.94744E-03 ppm1 7.246 ppm2 1.486 CV 1 OR { 1615} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 110 and name HG2 )) ASSI { 1621} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 91 and name HG2 )) 4.300 2.300 1.700 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.83126E-03 ppm1 7.083 ppm2 2.273 CV 1 OR { 1621} (( segid " " and resid 108 and name HD1 )) (( segid " " and resid 91 and name HG2 )) ASSI { 1625} ( segid " " and resid 92 and name HD% ) (( segid " " and resid 94 and name HB1 )) 3.100 1.200 1.200 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.11995E-01 ppm1 7.120 ppm2 2.862 CV 1 ASSI { 1626} (( segid " " and resid 79 and name HZ )) (( segid " " and resid 118 and name HB1 )) 3.400 3.400 2.600 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.69965E-02 ppm1 6.901 ppm2 2.861 CV 1 ASSI { 1630} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 83 and name HA )) 2.500 0.800 0.800 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.16864E-02 ppm1 6.583 ppm2 3.313 CV 1 ASSI { 1632} ( segid " " and resid 79 and name HD% ) (( segid " " and resid 80 and name HA )) 3.800 1.800 1.800 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.64344E-03 ppm1 6.935 ppm2 3.440 CV 1 ASSI { 1634} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 108 and name HB1 )) 3.300 1.400 1.400 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.14904E-02 ppm1 7.247 ppm2 3.457 CV 1 ASSI { 1639} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 35 and name HA1 )) 2.400 0.700 0.700 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.99890E-03 ppm1 6.816 ppm2 3.893 CV 1 OR { 1639} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 35 and name HA2 )) ASSI { 1640} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 35 and name HA2 )) 1.500 0.300 0.700 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.53249E-02 ppm1 6.583 ppm2 3.892 CV 1 OR { 1640} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 35 and name HA1 )) ASSI { 1642} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 44 and name HA )) 5.200 3.400 0.800 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.14561E-02 ppm1 6.974 ppm2 4.374 CV 1 ASSI { 1645} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 44 and name HA )) 4.700 2.700 1.300 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.23656E-02 ppm1 6.651 ppm2 4.368 CV 1 ASSI { 1646} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 117 and name HA )) 2.700 0.900 0.900 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.18595E-02 ppm1 6.814 ppm2 4.549 CV 1 ASSI { 1648} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 111 and name HA )) 4.200 2.200 1.800 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.23560E-03 ppm1 6.581 ppm2 4.445 CV 1 ASSI { 1649} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 117 and name HA )) 4.000 2.000 2.000 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.34293E-03 ppm1 6.582 ppm2 4.549 CV 1 ASSI { 1650} ( segid " " and resid 98 and name HD% ) (( segid " " and resid 99 and name HA )) 4.700 2.800 1.300 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.33510E-02 ppm1 7.178 ppm2 4.710 CV 1 ASSI { 1653} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.10842E-02 ppm1 7.249 ppm2 5.220 CV 1 ASSI { 1654} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 34 and name HA )) 3.800 1.800 1.800 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.71533E-03 ppm1 6.816 ppm2 5.067 CV 1 ASSI { 1660} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB2 )) 2.900 1.000 1.000 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.45284E-03 ppm1 5.746 ppm2 3.076 CV 1 ASSI { 1661} ( segid " " and resid 62 and name HD% ) (( segid " " and resid 65 and name HB1 )) 4.200 2.200 1.800 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.99307E-03 ppm1 5.707 ppm2 2.757 CV 1 ASSI { 1666} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) 2.300 0.700 0.700 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.82288E-03 ppm1 5.452 ppm2 1.627 CV 1 ASSI { 1668} ( segid " " and resid 62 and name HD% ) (( segid " " and resid 60 and name HD1 )) 2.600 2.600 3.400 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.26495E-02 ppm1 5.709 ppm2 0.763 CV 1 ASSI { 1673} (( segid " " and resid 33 and name HA )) ( segid " " and resid 39 and name HG2%) 3.100 1.200 1.200 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.19673E-02 ppm1 5.455 ppm2 0.306 CV 1 ASSI { 1674} ( segid " " and resid 118 and name HD% ) ( segid " " and resid 83 and name HG1%) 5.000 3.200 1.000 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.93586E-03 ppm1 6.814 ppm2 -0.502 CV 1 ASSI { 1675} ( segid " " and resid 118 and name HE% ) ( segid " " and resid 83 and name HG1%) 2.900 1.100 1.100 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.25306E-02 ppm1 6.582 ppm2 -0.502 CV 1 ASSI { 1676} (( segid " " and resid 35 and name HA2 )) ( segid " " and resid 83 and name HG1%) 4.000 2.000 2.000 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.11890E-02 ppm1 3.892 ppm2 -0.503 CV 1 OR { 1676} (( segid " " and resid 35 and name HA1 )) ( segid " " and resid 83 and name HG1%) ASSI { 1678} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HG1%) 2.200 0.600 0.600 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.80166E-02 ppm1 3.311 ppm2 -0.503 CV 1 ASSI { 1679} (( segid " " and resid 83 and name HB )) ( segid " " and resid 83 and name HG1%) 2.000 0.500 0.500 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.12946E-01 ppm1 1.527 ppm2 -0.502 CV 1 ASSI { 1682} ( segid " " and resid 83 and name HG2%) ( segid " " and resid 83 and name HG1%) 2.200 2.200 3.800 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.14649E-01 ppm1 0.665 ppm2 -0.502 CV 1 ASSI { 1686} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 33 and name HD1%) 2.500 0.800 0.800 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.91190E-03 ppm1 1.629 ppm2 0.230 CV 1 ASSI { 1687} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 33 and name HD1%) 3.100 1.200 1.200 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.21159E-02 ppm1 1.751 ppm2 0.230 CV 1 ASSI { 1688} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 39 and name HG2%) 3.500 1.600 1.600 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.60382E-03 ppm1 1.751 ppm2 0.306 CV 1 ASSI { 1689} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 39 and name HG2%) 3.800 1.800 1.800 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.18018E-02 ppm1 1.635 ppm2 0.307 CV 1 ASSI { 1694} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 31 and name HG11)) 3.300 1.300 1.300 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.49722E-03 ppm1 2.769 ppm2 0.535 CV 1 OR { 1694} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 31 and name HG11)) ASSI { 1697} (( segid " " and resid 109 and name HG1 )) ( segid " " and resid 120 and name HG1%) 4.000 2.000 2.000 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.85008E-03 ppm1 2.713 ppm2 0.583 CV 1 OR { 1697} (( segid " " and resid 109 and name HG2 )) ( segid " " and resid 120 and name HG1%) ASSI { 1698} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 57 and name HG1%) 2.600 2.600 3.400 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.53968E-02 ppm1 2.773 ppm2 0.622 CV 1 OR { 1698} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 57 and name HG2%) OR { 1698} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 57 and name HG2%) ASSI { 1700} (( segid " " and resid 34 and name HB1 )) ( segid " " and resid 40 and name HD1%) 3.500 1.600 1.600 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.43207E-02 ppm1 2.760 ppm2 0.765 CV 1 OR { 1700} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 40 and name HD1%) ASSI { 1703} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HG2%) 2.200 0.600 0.600 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.67921E-02 ppm1 3.312 ppm2 0.665 CV 1 ASSI { 1707} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HG2%) 2.200 0.600 0.600 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.18412E-02 ppm1 4.022 ppm2 0.306 CV 1 ASSI { 1712} (( segid " " and resid 35 and name HA2 )) ( segid " " and resid 83 and name HG2%) 3.000 1.100 1.100 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.25573E-02 ppm1 3.893 ppm2 0.665 CV 1 OR { 1712} (( segid " " and resid 35 and name HA1 )) ( segid " " and resid 83 and name HG2%) ASSI { 1715} (( segid " " and resid 62 and name HA )) (( segid " " and resid 60 and name HD1 )) 2.500 2.500 3.500 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.30103E-02 ppm1 3.758 ppm2 0.763 CV 1 ASSI { 1722} (( segid " " and resid 79 and name HA )) (( segid " " and resid 88 and name HG )) 2.800 1.000 1.000 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.32830E-02 ppm1 4.098 ppm2 1.051 CV 1 ASSI { 1724} (( segid " " and resid 82 and name HA2 )) (( segid " " and resid 88 and name HG )) 1.600 0.300 0.600 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.40717E-02 ppm1 3.580 ppm2 1.051 CV 1 ASSI { 1725} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HD1%) 3.300 1.400 1.400 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.89023E-02 ppm1 3.401 ppm2 0.905 CV 1 ASSI { 1730} (( segid " " and resid 94 and name HB1 )) ( segid " " and resid 105 and name HG2%) 4.700 2.700 1.300 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.29310E-03 ppm1 2.863 ppm2 0.795 CV 1 ASSI { 1735} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HG )) 1.900 0.500 0.500 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.13931E-02 ppm1 4.320 ppm2 1.052 CV 1 ASSI { 1736} (( segid " " and resid 109 and name HA )) ( segid " " and resid 120 and name HG1%) 5.800 4.200 0.200 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.22946E-03 ppm1 5.828 ppm2 0.584 CV 1 ASSI { 1742} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 111 and name HD1 )) 3.000 1.200 1.200 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.28529E-02 ppm1 6.583 ppm2 1.726 CV 1 ASSI { 1744} (( segid " " and resid 119 and name HZ3 )) ( segid " " and resid 30 and name HB% ) 2.600 2.600 3.400 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.68158E-02 ppm1 6.662 ppm2 1.549 CV 1 ASSI { 1746} ( segid " " and resid 121 and name HE% ) (( segid " " and resid 110 and name HG1 )) 2.600 0.800 0.800 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.26963E-02 ppm1 6.986 ppm2 1.483 CV 1 OR { 1746} ( segid " " and resid 121 and name HE% ) (( segid " " and resid 110 and name HG2 )) ASSI { 1747} ( segid " " and resid 121 and name HE% ) ( segid " " and resid 30 and name HB% ) 2.000 2.000 4.000 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.64218E-02 ppm1 6.990 ppm2 1.550 CV 1 ASSI { 1748} ( segid " " and resid 121 and name HD% ) ( segid " " and resid 30 and name HB% ) 2.100 2.100 3.900 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.51050E-02 ppm1 7.247 ppm2 1.549 CV 1 ASSI { 1749} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 111 and name HB2 )) 2.200 0.600 0.600 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.15993E-02 ppm1 6.584 ppm2 1.845 CV 1 ASSI { 1751} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 111 and name HB2 )) 1.800 0.400 0.400 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.20328E-02 ppm1 6.816 ppm2 1.846 CV 1 ASSI { 1753} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 111 and name HG2 )) 3.700 1.700 1.700 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.34055E-03 ppm1 6.813 ppm2 2.048 CV 1 OR { 1753} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 111 and name HG1 )) ASSI { 1754} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 111 and name HG2 )) 3.200 1.300 1.300 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.29628E-03 ppm1 6.581 ppm2 2.052 CV 1 OR { 1754} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 111 and name HG1 )) ASSI { 1758} (( segid " " and resid 111 and name HA )) ( segid " " and resid 112 and name HB% ) 4.800 2.900 1.200 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.37624E-03 ppm1 4.440 ppm2 1.463 CV 1 ASSI { 1760} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HB% ) 2.900 1.000 1.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.34404E-02 ppm1 4.357 ppm2 1.474 CV 1 ASSI { 1761} (( segid " " and resid 50 and name HA )) ( segid " " and resid 50 and name HG2%) 3.500 1.600 1.600 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.18759E-02 ppm1 4.351 ppm2 1.262 CV 1 ASSI { 1763} (( segid " " and resid 101 and name HB )) ( segid " " and resid 101 and name HG2%) 2.500 0.800 0.800 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.68783E-02 ppm1 4.131 ppm2 1.215 CV 1 ASSI { 1765} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG2 )) 4.300 2.300 1.700 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.55669E-03 ppm1 4.184 ppm2 1.430 CV 1 ASSI { 1767} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD1 )) 4.700 2.700 1.300 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.93816E-03 ppm1 4.172 ppm2 1.548 CV 1 OR { 1767} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD2 )) ASSI { 1776} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 2.900 1.100 1.100 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.28968E-02 ppm1 4.167 ppm2 1.847 CV 1 ASSI { 1777} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.500 0.800 0.800 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.23133E-02 ppm1 4.166 ppm2 1.898 CV 1 ASSI { 1780} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB1 )) 3.300 1.300 1.300 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.16464E-02 ppm1 4.213 ppm2 2.058 CV 1 ASSI { 1787} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG1 )) 3.900 1.900 1.900 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.19646E-02 ppm1 4.063 ppm2 2.369 CV 1 OR { 1787} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG2 )) ASSI { 1790} (( segid " " and resid 79 and name HA )) (( segid " " and resid 109 and name HB2 )) 4.800 2.900 1.200 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.15369E-02 ppm1 4.095 ppm2 2.235 CV 1 OR { 1790} (( segid " " and resid 79 and name HA )) (( segid " " and resid 109 and name HB1 )) ASSI { 1791} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.400 0.700 0.700 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.62813E-02 ppm1 3.751 ppm2 1.816 CV 1 ASSI { 1794} (( segid " " and resid 58 and name HA )) (( segid " " and resid 39 and name HB )) 2.200 0.600 0.600 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.19012E-02 ppm1 3.399 ppm2 2.034 CV 1 ASSI { 1795} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB )) 2.300 0.700 0.700 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.18641E-02 ppm1 3.404 ppm2 1.839 CV 1 ASSI { 1798} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HG2%) 3.400 1.500 1.500 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.70446E-03 ppm1 3.404 ppm2 1.664 CV 1 ASSI { 1799} (( segid " " and resid 37 and name HA2 )) (( segid " " and resid 33 and name HB2 )) 5.000 3.100 1.000 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.31520E-03 ppm1 3.582 ppm2 1.633 CV 1 ASSI { 1802} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB )) 2.700 0.900 0.900 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.25878E-02 ppm1 3.311 ppm2 1.531 CV 1 ASSI { 1805} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG12)) 3.400 1.500 1.500 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.13308E-02 ppm1 3.400 ppm2 1.181 CV 1 OR { 1805} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG11)) ASSI { 1807} (( segid " " and resid 124 and name HD2 )) ( segid " " and resid 103 and name HG2%) 3.000 3.000 3.000 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.11193E-02 ppm1 2.982 ppm2 1.172 CV 1 OR { 1807} (( segid " " and resid 124 and name HD1 )) ( segid " " and resid 103 and name HG2%) ASSI { 1822} (( segid " " and resid 124 and name HD1 )) (( segid " " and resid 124 and name HG2 )) 2.100 0.500 0.500 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.89227E-02 ppm1 2.982 ppm2 1.389 CV 1 OR { 1822} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HG1 )) OR { 1822} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HG2 )) OR { 1822} (( segid " " and resid 124 and name HD1 )) (( segid " " and resid 124 and name HG1 )) ASSI { 1836} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 58 and name HD1%) 5.400 3.600 0.600 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.32317E-03 ppm1 2.775 ppm2 0.907 CV 1 OR { 1836} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 58 and name HD1%) ASSI { 1838} (( segid " " and resid 109 and name HB2 )) ( segid " " and resid 90 and name HG2%) 3.200 3.200 2.800 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.66459E-03 ppm1 2.234 ppm2 1.229 CV 1 OR { 1838} (( segid " " and resid 109 and name HB1 )) ( segid " " and resid 90 and name HG2%) ASSI { 1841} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 107 and name HB )) 4.000 2.000 2.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.84821E-03 ppm1 2.225 ppm2 1.053 CV 1 OR { 1841} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 107 and name HB )) ASSI { 1843} (( segid " " and resid 49 and name HB )) ( segid " " and resid 49 and name HD1%) 2.700 0.900 0.900 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.12432E-01 ppm1 2.032 ppm2 0.931 CV 1 ASSI { 1844} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HG1%) 2.200 0.600 0.600 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.16462E-01 ppm1 2.030 ppm2 0.895 CV 1 ASSI { 1846} (( segid " " and resid 122 and name HB )) ( segid " " and resid 122 and name HG1%) 2.100 0.600 0.600 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.10823E-01 ppm1 2.071 ppm2 0.838 CV 1 ASSI { 1847} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HG2%) 2.400 0.700 0.700 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.85798E-02 ppm1 2.033 ppm2 0.794 CV 1 ASSI { 1857} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HD1%) 2.200 2.200 3.800 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.21298E-01 ppm1 1.834 ppm2 0.905 CV 1 ASSI { 1862} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 113 and name HD2%) 2.900 1.000 1.000 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.82668E-02 ppm1 1.732 ppm2 0.952 CV 1 OR { 1862} (( segid " " and resid 113 and name HB1 )) ( segid " " and resid 113 and name HD1%) OR { 1862} (( segid " " and resid 113 and name HB1 )) ( segid " " and resid 113 and name HD2%) OR { 1862} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 113 and name HD1%) ASSI { 1864} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 58 and name HD1%) 2.300 2.300 3.700 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.15448E-01 ppm1 1.657 ppm2 0.906 CV 1 ASSI { 1868} (( segid " " and resid 83 and name HB )) ( segid " " and resid 83 and name HG2%) 1.900 0.400 0.400 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.12758E-01 ppm1 1.526 ppm2 0.666 CV 1 ASSI { 1870} ( segid " " and resid 30 and name HB% ) (( segid " " and resid 31 and name HG11)) 4.300 2.300 1.700 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.14967E-02 ppm1 1.549 ppm2 0.530 CV 1 ASSI { 1874} (( segid " " and resid 40 and name HG )) ( segid " " and resid 40 and name HD1%) 2.600 0.900 0.900 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.28179E-02 ppm1 1.298 ppm2 0.768 CV 1 ASSI { 1878} (( segid " " and resid 49 and name HG11)) ( segid " " and resid 49 and name HD1%) 2.500 0.800 0.800 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.66218E-02 ppm1 1.444 ppm2 0.932 CV 1 ASSI { 1883} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HD2 )) 2.500 0.800 0.800 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.83226E-02 ppm1 1.743 ppm2 1.252 CV 1 OR { 1883} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HD1 )) OR { 1883} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HD1 )) OR { 1883} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HD2 )) ASSI { 1884} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HG11)) 2.500 0.800 0.800 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.43410E-02 ppm1 1.830 ppm2 1.183 CV 1 OR { 1884} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HG12)) ASSI { 1885} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HG2 )) 2.200 0.600 0.600 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.35176E-02 ppm1 1.861 ppm2 1.213 CV 1 ASSI { 1887} (( segid " " and resid 93 and name HG2 )) (( segid " " and resid 91 and name HB2 )) 4.700 2.800 1.300 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.14465E-02 ppm1 2.280 ppm2 1.816 CV 1 OR { 1887} (( segid " " and resid 93 and name HG1 )) (( segid " " and resid 91 and name HB2 )) ASSI { 1888} (( segid " " and resid 39 and name HG11)) ( segid " " and resid 39 and name HG2%) 2.300 0.700 0.700 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.33835E-02 ppm1 0.762 ppm2 0.307 CV 1 ASSI { 1890} ( segid " " and resid 39 and name HD1%) ( segid " " and resid 39 and name HG2%) 1.900 1.900 4.100 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.79341E-02 ppm1 0.655 ppm2 0.307 CV 1 ASSI { 1891} ( segid " " and resid 120 and name HG2%) ( segid " " and resid 33 and name HD1%) 3.800 1.800 1.800 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.85675E-03 ppm1 0.640 ppm2 0.229 CV 1 ASSI { 1894} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 58 and name HD1%) 2.100 0.500 0.500 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.16037E-01 ppm1 1.181 ppm2 0.907 CV 1 OR { 1894} (( segid " " and resid 58 and name HG11)) ( segid " " and resid 58 and name HD1%) ASSI { 1896} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 111 and name HD1 )) 2.400 0.700 0.700 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.22066E-02 ppm1 2.048 ppm2 1.716 CV 1 OR { 1896} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HD1 )) ASSI { 1897} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 113 and name HB1 )) 4.000 2.000 2.000 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.38883E-02 ppm1 2.048 ppm2 1.736 CV 1 OR { 1897} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 113 and name HB2 )) OR { 1897} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 113 and name HB1 )) OR { 1897} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 113 and name HB2 )) ASSI { 1901} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HB2 )) 2.500 0.800 0.800 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.12315E-01 ppm1 2.379 ppm2 2.068 CV 1 ASSI { 1903} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HB2 )) 1.400 0.200 0.800 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.13098E-01 ppm1 2.972 ppm2 2.237 CV 1 ASSI { 1914} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HB1 )) 3.700 1.700 1.700 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.10159E-01 ppm1 3.463 ppm2 3.078 CV 1 ASSI { 1915} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 89 and name HB2 )) 1.200 0.200 1.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.20323E-01 ppm1 3.170 ppm2 2.999 CV 1 ASSI { 1917} (( segid " " and resid 117 and name HA )) (( segid " " and resid 36 and name HB2 )) 3.200 3.200 2.800 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.63236E-03 ppm1 4.549 ppm2 2.667 CV 1 ASSI { 1922} (( segid " " and resid 89 and name HA )) (( segid " " and resid 110 and name HA )) 1.600 0.300 0.600 peak 1922 spectrum 1 weight 0.11000E+01 volume 0.22755E-02 ppm1 5.483 ppm2 5.179 CV 1 ASSI { 1924} (( segid " " and resid 69 and name H3 )) (( segid " " and resid 69 and name H2 )) 2.300 0.700 0.700 peak 1924 spectrum 1 weight 0.11000E+01 volume 0.88154E-02 ppm1 7.324 ppm2 6.522 CV 1 ASSI { 1925} ( segid " " and resid 96 and name HD% ) ( segid " " and resid 95 and name HG2%) 6.000 6.000 0.000 peak 1925 spectrum 1 weight 0.11000E+01 volume 0.22810E-03 ppm1 7.308 ppm2 1.057 CV 1 ASSI { 1229} (( segid " " and resid 98 and name HA )) (( segid " " and resid 99 and name HN )) 3.500 1.500 1.500 peak 1229 spectrum 1 weight 0.11000E+01 volume 0.10892E-02 ppm1 9.035 ppm2 4.710 CV 1 ASSI { 1230} ( segid " " and resid 94 and name HD% ) (( segid " " and resid 94 and name HB2 )) 2.900 1.000 1.000 peak 1230 spectrum 1 weight 0.11000E+01 volume 0.21152E-02 ppm1 6.981 ppm2 2.837 CV 1 ASSI { 1231} ( segid " " and resid 94 and name HD% ) (( segid " " and resid 94 and name HB1 )) 2.900 1.100 1.100 peak 1231 spectrum 1 weight 0.11000E+01 volume 0.18575E-02 ppm1 6.981 ppm2 2.862 CV 1 ASSI { 1232} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB1 )) 3.300 1.400 1.400 peak 1232 spectrum 1 weight 0.11000E+01 volume 0.63294E-03 ppm1 9.084 ppm2 2.862 CV 1 ASSI { 3} (( segid " " and resid 121 and name HA )) (( segid " " and resid 30 and name HA )) 1.700 0.300 0.500 peak 3 spectrum 1 weight 0.11000E+01 volume 0.44941E-02 ppm1 5.517 ppm2 5.228 CV 1 ASSI { 6} (( segid " " and resid 105 and name HA )) (( segid " " and resid 124 and name HA )) 1.600 0.300 0.600 peak 6 spectrum 1 weight 0.11000E+01 volume 0.53228E-02 ppm1 5.272 ppm2 4.486 CV 1 ASSI { 8} (( segid " " and resid 33 and name HA )) (( segid " " and resid 39 and name HA )) 2.000 0.500 0.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.18678E-02 ppm1 5.460 ppm2 4.026 CV 1 ASSI { 9} ( segid " " and resid 62 and name HD% ) (( segid " " and resid 62 and name HA )) 3.000 1.200 1.200 peak 9 spectrum 1 weight 0.10000E+01 volume 0.35614E-02 ppm1 5.705 ppm2 3.741 CV 1 ASSI { 12} (( segid " " and resid 50 and name HB )) (( segid " " and resid 51 and name HA2 )) 3.900 1.900 1.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.89191E-02 ppm1 5.074 ppm2 3.997 CV 1 ASSI { 13} (( segid " " and resid 50 and name HB )) (( segid " " and resid 51 and name HA1 )) 4.400 2.500 1.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.44646E-02 ppm1 5.075 ppm2 4.056 CV 1 OR { 13} (( segid " " and resid 50 and name HB )) (( segid " " and resid 51 and name HA2 )) ASSI { 20} ( segid " " and resid 62 and name HD% ) (( segid " " and resid 65 and name HB2 )) 3.700 1.700 1.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.25530E-02 ppm1 5.703 ppm2 2.748 CV 1 OR { 20} ( segid " " and resid 62 and name HD% ) (( segid " " and resid 65 and name HB1 )) ASSI { 23} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB1 )) 2.300 0.700 0.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.15756E-02 ppm1 5.842 ppm2 2.244 CV 1 OR { 23} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) ASSI { 25} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB1 )) 2.400 0.700 0.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.30787E-02 ppm1 5.797 ppm2 1.945 CV 1 ASSI { 26} ( segid " " and resid 62 and name HD% ) (( segid " " and resid 62 and name HB1 )) 2.800 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.37389E-02 ppm1 5.705 ppm2 1.963 CV 1 ASSI { 27} ( segid " " and resid 62 and name HD% ) (( segid " " and resid 62 and name HB2 )) 2.900 1.100 1.100 peak 27 spectrum 1 weight 0.10000E+01 volume 0.28185E-02 ppm1 5.704 ppm2 1.821 CV 1 ASSI { 29} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 3.000 1.100 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.47733E-02 ppm1 5.070 ppm2 2.873 CV 1 ASSI { 32} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB1 )) 2.200 0.600 0.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.33477E-02 ppm1 5.289 ppm2 2.785 CV 1 OR { 32} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB2 )) ASSI { 33} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB1 )) 2.100 0.600 0.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.70888E-02 ppm1 5.359 ppm2 1.982 CV 1 OR { 33} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB2 )) ASSI { 36} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HG2 )) 3.700 1.700 1.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.12327E-02 ppm1 5.356 ppm2 2.289 CV 1 OR { 36} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HG1 )) ASSI { 38} (( segid " " and resid 30 and name HA )) ( segid " " and resid 30 and name HB% ) 1.900 0.400 0.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.74336E-02 ppm1 5.227 ppm2 1.554 CV 1 ASSI { 47} (( segid " " and resid 53 and name HA )) (( segid " " and resid 55 and name HG2 )) 4.900 3.000 1.100 peak 47 spectrum 1 weight 0.10000E+01 volume 0.18839E-02 ppm1 4.891 ppm2 2.135 CV 1 OR { 47} (( segid " " and resid 53 and name HA )) (( segid " " and resid 55 and name HG1 )) ASSI { 50} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HG1 )) 2.900 1.100 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.26110E-02 ppm1 4.459 ppm2 2.354 CV 1 OR { 50} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HG2 )) ASSI { 58} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB1 )) 2.900 1.000 1.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.36542E-02 ppm1 4.953 ppm2 3.289 CV 1 ASSI { 59} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB1 )) 2.600 0.800 0.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.28471E-02 ppm1 5.007 ppm2 3.316 CV 1 ASSI { 60} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB1 )) 3.000 1.100 1.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.29209E-02 ppm1 4.715 ppm2 2.863 CV 1 ASSI { 61} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB2 )) 2.600 0.900 0.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.67290E-02 ppm1 4.776 ppm2 2.727 CV 1 OR { 61} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB1 )) ASSI { 62} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB1 )) 2.300 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.18875E-01 ppm1 4.679 ppm2 2.703 CV 1 OR { 62} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB2 )) ASSI { 64} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HG2 )) 3.600 1.600 1.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.32712E-02 ppm1 4.241 ppm2 2.383 CV 1 ASSI { 65} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HG1 )) 3.700 1.700 1.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.26260E-02 ppm1 4.240 ppm2 2.429 CV 1 ASSI { 66} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG2 )) 3.600 1.600 1.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.43276E-02 ppm1 4.208 ppm2 2.289 CV 1 OR { 66} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG1 )) ASSI { 67} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB1 )) 2.600 0.900 0.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.61467E-02 ppm1 4.240 ppm2 2.244 CV 1 ASSI { 71} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 2.100 0.600 0.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.50341E-02 ppm1 4.461 ppm2 1.969 CV 1 ASSI { 74} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HD2 )) 2.200 0.600 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.75698E-02 ppm1 4.889 ppm2 3.986 CV 1 ASSI { 79} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB1 )) 1.800 0.400 0.400 peak 79 spectrum 1 weight 0.10000E+01 volume 0.43664E-02 ppm1 4.552 ppm2 3.701 CV 1 ASSI { 80} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB2 )) 2.000 0.500 0.500 peak 80 spectrum 1 weight 0.10000E+01 volume 0.38861E-02 ppm1 4.551 ppm2 3.571 CV 1 ASSI { 82} (( segid " " and resid 37 and name HA1 )) (( segid " " and resid 37 and name HA2 )) 1.800 0.400 0.400 peak 82 spectrum 1 weight 0.10000E+01 volume 0.66248E-02 ppm1 4.436 ppm2 3.596 CV 1 ASSI { 85} (( segid " " and resid 59 and name HA1 )) (( segid " " and resid 59 and name HA2 )) 1.700 0.300 0.500 peak 85 spectrum 1 weight 0.10000E+01 volume 0.87442E-02 ppm1 4.329 ppm2 3.654 CV 1 ASSI { 92} (( segid " " and resid 86 and name HA1 )) (( segid " " and resid 86 and name HA2 )) 1.700 0.300 0.500 peak 92 spectrum 1 weight 0.10000E+01 volume 0.88917E-02 ppm1 4.227 ppm2 3.966 CV 1 ASSI { 99} (( segid " " and resid 116 and name HA )) (( segid " " and resid 117 and name HA )) 3.800 1.800 1.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.16704E-02 ppm1 4.655 ppm2 4.562 CV 1 ASSI { 108} (( segid " " and resid 95 and name HA )) ( segid " " and resid 95 and name HG2%) 2.700 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.48353E-02 ppm1 5.275 ppm2 1.056 CV 1 ASSI { 115} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG11)) 2.000 0.500 0.500 peak 115 spectrum 1 weight 0.10000E+01 volume 0.36949E-02 ppm1 4.565 ppm2 0.534 CV 1 OR { 115} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG12)) ASSI { 118} (( segid " " and resid 90 and name HA )) ( segid " " and resid 90 and name HG2%) 3.600 1.600 1.600 peak 118 spectrum 1 weight 0.10000E+01 volume 0.19788E-02 ppm1 4.922 ppm2 1.244 CV 1 ASSI { 123} (( segid " " and resid 49 and name HA )) ( segid " " and resid 49 and name HD1%) 3.400 1.400 1.400 peak 123 spectrum 1 weight 0.10000E+01 volume 0.17344E-01 ppm1 4.347 ppm2 0.934 CV 1 ASSI { 124} (( segid " " and resid 27 and name HA )) ( segid " " and resid 27 and name HB% ) 2.500 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.81399E-02 ppm1 4.404 ppm2 0.991 CV 1 ASSI { 127} (( segid " " and resid 103 and name HA )) ( segid " " and resid 103 and name HG2%) 2.400 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.93082E-02 ppm1 4.440 ppm2 1.168 CV 1 ASSI { 129} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HD2%) 4.300 2.300 1.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.26183E-02 ppm1 4.063 ppm2 0.400 CV 1 ASSI { 133} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HG2%) 3.200 1.200 1.200 peak 133 spectrum 1 weight 0.10000E+01 volume 0.53156E-02 ppm1 4.023 ppm2 0.796 CV 1 ASSI { 134} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HG1%) 2.900 1.000 1.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.60733E-02 ppm1 4.023 ppm2 0.894 CV 1 ASSI { 136} (( segid " " and resid 113 and name HA )) ( segid " " and resid 113 and name HD1%) 3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.13613E-01 ppm1 4.118 ppm2 0.919 CV 1 OR { 136} (( segid " " and resid 113 and name HA )) ( segid " " and resid 113 and name HD2%) ASSI { 139} (( segid " " and resid 102 and name HD1 )) ( segid " " and resid 101 and name HG2%) 5.100 3.200 0.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.17105E-02 ppm1 3.953 ppm2 1.213 CV 1 ASSI { 142} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HD1 )) 3.800 1.800 1.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.63018E-02 ppm1 4.187 ppm2 1.249 CV 1 OR { 142} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HD2 )) ASSI { 155} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HG1 )) 3.200 1.300 1.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.28315E-02 ppm1 3.975 ppm2 2.334 CV 1 ASSI { 159} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 60 and name HB2 )) 3.700 1.700 1.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.40039E-02 ppm1 3.660 ppm2 1.705 CV 1 ASSI { 163} (( segid " " and resid 103 and name HB )) ( segid " " and resid 103 and name HG2%) 2.500 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.76696E-02 ppm1 3.732 ppm2 1.169 CV 1 ASSI { 166} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HG1 )) 2.900 1.000 1.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.45331E-02 ppm1 3.445 ppm2 1.079 CV 1 OR { 166} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HG2 )) ASSI { 176} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB1 )) 2.400 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.81585E-02 ppm1 4.118 ppm2 1.735 CV 1 OR { 176} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) ASSI { 178} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB2 )) 2.500 0.800 0.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.57444E-02 ppm1 4.186 ppm2 1.732 CV 1 OR { 178} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB1 )) ASSI { 181} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HD1 )) 4.700 2.800 1.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.15010E-02 ppm1 4.284 ppm2 3.114 CV 1 OR { 181} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HD2 )) ASSI { 186} (( segid " " and resid 29 and name HA1 )) (( segid " " and resid 121 and name HB2 )) 6.000 5.800 0.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.51936E-03 ppm1 3.951 ppm2 3.161 CV 1 OR { 186} (( segid " " and resid 29 and name HA2 )) (( segid " " and resid 121 and name HB2 )) ASSI { 187} (( segid " " and resid 29 and name HA1 )) (( segid " " and resid 121 and name HB1 )) 6.000 5.000 0.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.44279E-03 ppm1 3.980 ppm2 3.185 CV 1 OR { 187} (( segid " " and resid 29 and name HA2 )) (( segid " " and resid 121 and name HB1 )) OR { 187} (( segid " " and resid 29 and name HA1 )) (( segid " " and resid 121 and name HB2 )) OR { 187} (( segid " " and resid 29 and name HA2 )) (( segid " " and resid 121 and name HB2 )) ASSI { 194} (( segid " " and resid 52 and name HD2 )) (( segid " " and resid 52 and name HB1 )) 2.600 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.89165E-02 ppm1 3.101 ppm2 1.726 CV 1 OR { 194} (( segid " " and resid 52 and name HD1 )) (( segid " " and resid 52 and name HB1 )) OR { 194} (( segid " " and resid 52 and name HD2 )) (( segid " " and resid 52 and name HB2 )) OR { 194} (( segid " " and resid 52 and name HD1 )) (( segid " " and resid 52 and name HB2 )) ASSI { 205} ( segid " " and resid 84 and name HB% ) ( segid " " and resid 83 and name HG1%) 4.200 2.200 1.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.63988E-02 ppm1 1.431 ppm2 -0.499 CV 1 ASSI { 209} (( segid " " and resid 33 and name HG )) ( segid " " and resid 33 and name HD1%) 1.900 0.500 0.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.44233E-02 ppm1 1.252 ppm2 0.234 CV 1 ASSI { 210} (( segid " " and resid 33 and name HG )) ( segid " " and resid 39 and name HG2%) 3.700 3.700 2.300 peak 210 spectrum 1 weight 0.10000E+01 volume 0.57049E-02 ppm1 1.255 ppm2 0.312 CV 1 ASSI { 213} (( segid " " and resid 58 and name HB )) ( segid " " and resid 39 and name HG2%) 3.200 1.300 1.300 peak 213 spectrum 1 weight 0.10000E+01 volume 0.22008E-02 ppm1 1.854 ppm2 0.312 CV 1 ASSI { 214} (( segid " " and resid 57 and name HB )) ( segid " " and resid 57 and name HG1%) 2.200 0.600 0.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.16367E-01 ppm1 2.026 ppm2 0.618 CV 1 OR { 214} (( segid " " and resid 57 and name HB )) ( segid " " and resid 57 and name HG2%) ASSI { 215} (( segid " " and resid 66 and name HB )) ( segid " " and resid 66 and name HG1%) 2.500 0.800 0.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.10696E-01 ppm1 1.829 ppm2 0.682 CV 1 OR { 215} (( segid " " and resid 66 and name HB )) ( segid " " and resid 66 and name HG2%) ASSI { 218} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HG )) 1.500 0.300 0.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.10214E-01 ppm1 1.895 ppm2 1.051 CV 1 OR { 218} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 88 and name HG )) ASSI { 224} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HG12)) 2.200 0.600 0.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.20225E-01 ppm1 1.669 ppm2 1.188 CV 1 OR { 224} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HG11)) ASSI { 226} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HG1 )) 2.000 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.20964E-01 ppm1 1.489 ppm2 1.063 CV 1 OR { 226} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 80 and name HG2 )) OR { 226} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 80 and name HG1 )) OR { 226} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HG2 )) ASSI { 230} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HB1 )) 2.200 0.600 0.600 peak 230 spectrum 1 weight 0.10000E+01 volume 0.19464E-01 ppm1 2.162 ppm2 1.895 CV 1 ASSI { 234} (( segid " " and resid 117 and name HA )) (( segid " " and resid 34 and name HA )) 1.600 0.300 0.600 peak 234 spectrum 1 weight 0.11000E+01 volume 0.24873E-02 ppm1 4.552 ppm2 5.068 CV 1 ASSI { 235} (( segid " " and resid 31 and name HA )) (( segid " " and resid 42 and name HA )) 2.400 0.700 0.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.27507E-02 ppm1 4.566 ppm2 5.279 CV 1 ASSI { 237} (( segid " " and resid 106 and name HA )) (( segid " " and resid 93 and name HA )) 1.800 0.400 0.400 peak 237 spectrum 1 weight 0.11000E+01 volume 0.31473E-02 ppm1 4.920 ppm2 5.360 CV 1 ASSI { 241} (( segid " " and resid 90 and name HB )) (( segid " " and resid 90 and name HA )) 2.800 1.000 1.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.19710E-02 ppm1 4.132 ppm2 4.924 CV 1 ASSI { 246} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 79 and name HD% ) 1.700 0.400 0.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.15649E-01 ppm1 7.365 ppm2 6.907 CV 1 OR { 246} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 79 and name HZ )) ASSI { 248} ( segid " " and resid 121 and name HD% ) ( segid " " and resid 121 and name HE% ) 1.700 0.300 0.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.19239E-01 ppm1 7.249 ppm2 6.996 CV 1 ASSI { 249} (( segid " " and resid 99 and name HE21)) (( segid " " and resid 99 and name HE22)) 1.600 0.300 0.600 peak 249 spectrum 1 weight 0.10000E+01 volume 0.20339E-01 ppm1 7.160 ppm2 6.791 CV 1 ASSI { 257} ( segid " " and resid 79 and name HD% ) ( segid " " and resid 76 and name HD% ) 2.400 2.400 3.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.38953E-02 ppm1 6.948 ppm2 6.326 CV 1 ASSI { 258} (( segid " " and resid 69 and name H3 )) (( segid " " and resid 69 and name HD1 )) 3.400 1.400 1.400 peak 258 spectrum 1 weight 0.10000E+01 volume 0.33267E-02 ppm1 7.344 ppm2 5.957 CV 1 OR { 258} (( segid " " and resid 69 and name H3 )) (( segid " " and resid 69 and name HD2 )) OR { 258} (( segid " " and resid 69 and name H3 )) (( segid " " and resid 69 and name HE1 )) ASSI { 2} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 32 and name HE21)) 4.100 2.100 1.900 peak 2 spectrum 1 weight 0.10000E+01 volume 0.45519E-03 ppm1 10.370 ppm2 7.105 CV 1 ASSI { 3} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 119 and name HD1 )) 1.700 1.700 4.300 peak 3 spectrum 1 weight 0.10000E+01 volume 0.65033E-02 ppm1 10.370 ppm2 6.850 CV 1 ASSI { 4} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 119 and name HZ3 )) 4.800 2.900 1.200 peak 4 spectrum 1 weight 0.10000E+01 volume 0.40212E-03 ppm1 10.369 ppm2 6.658 CV 1 ASSI { 11} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 3.200 1.200 1.200 peak 11 spectrum 1 weight 0.11000E+01 volume 0.14847E-02 ppm1 9.657 ppm2 5.016 CV 1 ASSI { 13} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB1 )) 2.600 0.800 0.800 peak 13 spectrum 1 weight 0.11000E+01 volume 0.76219E-02 ppm1 9.658 ppm2 2.752 CV 1 ASSI { 14} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB1 )) 3.500 1.600 1.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.32644E-02 ppm1 9.658 ppm2 1.866 CV 1 ASSI { 19} (( segid " " and resid 40 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.000 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.27750E-02 ppm1 9.580 ppm2 1.624 CV 1 ASSI { 20} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) 2.500 0.800 0.800 peak 20 spectrum 1 weight 0.11000E+01 volume 0.21998E-02 ppm1 9.580 ppm2 1.419 CV 1 OR { 20} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 21} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HG )) 3.600 1.600 1.600 peak 21 spectrum 1 weight 0.11000E+01 volume 0.22607E-02 ppm1 9.580 ppm2 1.308 CV 1 ASSI { 22} (( segid " " and resid 110 and name HN )) (( segid " " and resid 119 and name HN )) 1.800 0.400 0.400 peak 22 spectrum 1 weight 0.11000E+01 volume 0.19020E-02 ppm1 9.553 ppm2 9.407 CV 1 ASSI { 30} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB1 )) 2.500 0.800 0.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.25079E-02 ppm1 9.455 ppm2 1.761 CV 1 ASSI { 31} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.100 1.200 1.200 peak 31 spectrum 1 weight 0.11000E+01 volume 0.14753E-02 ppm1 9.458 ppm2 1.500 CV 1 OR { 31} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 40} (( segid " " and resid 121 and name HN )) ( segid " " and resid 107 and name HG2%) 4.300 2.400 1.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.39196E-02 ppm1 9.439 ppm2 0.644 CV 1 ASSI { 42} (( segid " " and resid 121 and name HN )) (( segid " " and resid 108 and name HB1 )) 3.900 1.900 1.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.45425E-03 ppm1 9.441 ppm2 3.473 CV 1 ASSI { 43} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.000 0.500 0.500 peak 43 spectrum 1 weight 0.11000E+01 volume 0.43529E-02 ppm1 9.438 ppm2 3.186 CV 1 OR { 43} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB1 )) ASSI { 45} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HD2 )) 2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.35332E-02 ppm1 9.405 ppm2 7.089 CV 1 OR { 45} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HD1 )) ASSI { 47} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.400 0.700 0.700 peak 47 spectrum 1 weight 0.11000E+01 volume 0.15316E-02 ppm1 9.408 ppm2 2.243 CV 1 OR { 47} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB1 )) ASSI { 49} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 2.200 0.600 0.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.15891E-02 ppm1 9.396 ppm2 5.141 CV 1 ASSI { 51} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HD1 )) 1.700 0.300 0.500 peak 51 spectrum 1 weight 0.10000E+01 volume 0.29289E-02 ppm1 9.395 ppm2 6.840 CV 1 ASSI { 60} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HG2%) 2.800 1.000 1.000 peak 60 spectrum 1 weight 0.11000E+01 volume 0.25260E-02 ppm1 9.386 ppm2 0.602 CV 1 OR { 60} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HG1%) ASSI { 61} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HE3 )) 2.900 1.000 1.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.11392E-02 ppm1 9.383 ppm2 6.926 CV 1 ASSI { 64} (( segid " " and resid 120 and name HN )) (( segid " " and resid 31 and name HB )) 5.400 3.700 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.14715E-03 ppm1 9.383 ppm2 1.419 CV 1 ASSI { 71} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 3.900 1.900 1.900 peak 71 spectrum 1 weight 0.11000E+01 volume 0.17200E-02 ppm1 9.262 ppm2 9.122 CV 1 ASSI { 74} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB )) 3.600 1.600 1.600 peak 74 spectrum 1 weight 0.11000E+01 volume 0.12140E-02 ppm1 9.262 ppm2 2.086 CV 1 ASSI { 77} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG2%) 2.100 0.600 0.600 peak 77 spectrum 1 weight 0.11000E+01 volume 0.35501E-02 ppm1 9.262 ppm2 0.824 CV 1 ASSI { 79} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 3.300 1.400 1.400 peak 79 spectrum 1 weight 0.11000E+01 volume 0.13593E-02 ppm1 9.238 ppm2 4.465 CV 1 ASSI { 83} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) 3.400 1.500 1.500 peak 83 spectrum 1 weight 0.11000E+01 volume 0.18272E-02 ppm1 9.243 ppm2 1.997 CV 1 OR { 83} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 90} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 1.700 0.400 0.500 peak 90 spectrum 1 weight 0.11000E+01 volume 0.62303E-02 ppm1 9.222 ppm2 5.007 CV 1 ASSI { 92} (( segid " " and resid 108 and name HN )) (( segid " " and resid 121 and name HB2 )) 4.100 2.100 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.35914E-03 ppm1 9.221 ppm2 3.179 CV 1 OR { 92} (( segid " " and resid 108 and name HN )) (( segid " " and resid 121 and name HB1 )) ASSI { 94} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 1.800 0.400 0.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.93047E-02 ppm1 9.214 ppm2 5.270 CV 1 ASSI { 98} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HG2%) 3.600 1.700 1.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.35497E-02 ppm1 9.214 ppm2 1.068 CV 1 ASSI { 99} (( segid " " and resid 96 and name HN )) ( segid " " and resid 96 and name HD% ) 2.900 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.24512E-02 ppm1 9.213 ppm2 7.312 CV 1 ASSI { 103} (( segid " " and resid 90 and name HN )) (( segid " " and resid 108 and name HD2 )) 3.200 1.300 1.300 peak 103 spectrum 1 weight 0.10000E+01 volume 0.21163E-02 ppm1 9.143 ppm2 7.089 CV 1 OR { 103} (( segid " " and resid 90 and name HN )) (( segid " " and resid 108 and name HD1 )) ASSI { 105} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 2.400 0.700 0.700 peak 105 spectrum 1 weight 0.11000E+01 volume 0.29490E-02 ppm1 9.143 ppm2 4.907 CV 1 ASSI { 106} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB1 )) 5.300 3.500 0.700 peak 106 spectrum 1 weight 0.11000E+01 volume 0.34961E-03 ppm1 9.142 ppm2 3.167 CV 1 ASSI { 108} (( segid " " and resid 90 and name HN )) ( segid " " and resid 90 and name HG2%) 3.300 1.300 1.300 peak 108 spectrum 1 weight 0.11000E+01 volume 0.30568E-02 ppm1 9.142 ppm2 1.241 CV 1 ASSI { 109} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HG )) 6.000 5.100 0.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12552E-04 ppm1 9.143 ppm2 1.063 CV 1 ASSI { 115} (( segid " " and resid 106 and name HN )) (( segid " " and resid 124 and name HA )) 3.900 1.900 1.900 peak 115 spectrum 1 weight 0.11000E+01 volume 0.62736E-03 ppm1 9.124 ppm2 4.519 CV 1 ASSI { 116} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB )) 1.800 0.400 0.400 peak 116 spectrum 1 weight 0.11000E+01 volume 0.38937E-02 ppm1 9.125 ppm2 2.088 CV 1 ASSI { 121} (( segid " " and resid 94 and name HN )) (( segid " " and resid 105 and name HN )) 2.900 1.000 1.000 peak 121 spectrum 1 weight 0.11000E+01 volume 0.22373E-02 ppm1 9.089 ppm2 9.258 CV 1 ASSI { 125} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.800 1.000 1.000 peak 125 spectrum 1 weight 0.11000E+01 volume 0.23664E-02 ppm1 9.090 ppm2 2.867 CV 1 OR { 125} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB1 )) ASSI { 126} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.400 1.400 1.400 peak 126 spectrum 1 weight 0.11000E+01 volume 0.27653E-02 ppm1 9.089 ppm2 1.992 CV 1 ASSI { 129} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HG1%) 3.300 1.400 1.400 peak 129 spectrum 1 weight 0.11000E+01 volume 0.26544E-02 ppm1 9.065 ppm2 0.844 CV 1 ASSI { 134} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 2.400 0.700 0.700 peak 134 spectrum 1 weight 0.11000E+01 volume 0.40681E-02 ppm1 9.037 ppm2 5.012 CV 1 ASSI { 136} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB )) 3.800 1.800 1.800 peak 136 spectrum 1 weight 0.11000E+01 volume 0.35592E-03 ppm1 9.036 ppm2 1.085 CV 1 ASSI { 143} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HB1 )) 6.000 6.000 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.85079E-04 ppm1 9.027 ppm2 1.866 CV 1 ASSI { 147} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HD21)) 3.600 1.600 1.600 peak 147 spectrum 1 weight 0.11000E+01 volume 0.15305E-02 ppm1 8.975 ppm2 8.548 CV 1 ASSI { 148} (( segid " " and resid 38 and name HN )) (( segid " " and resid 34 and name HN )) 2.900 1.000 1.000 peak 148 spectrum 1 weight 0.11000E+01 volume 0.16546E-02 ppm1 8.975 ppm2 8.338 CV 1 ASSI { 152} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA2 )) 3.700 1.700 1.700 peak 152 spectrum 1 weight 0.11000E+01 volume 0.10327E-02 ppm1 8.975 ppm2 3.593 CV 1 ASSI { 153} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB1 )) 3.100 1.200 1.200 peak 153 spectrum 1 weight 0.11000E+01 volume 0.50193E-02 ppm1 8.975 ppm2 2.981 CV 1 ASSI { 154} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB2 )) 5.300 3.500 0.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.67601E-03 ppm1 8.975 ppm2 2.669 CV 1 ASSI { 161} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.700 0.900 0.900 peak 161 spectrum 1 weight 0.11000E+01 volume 0.20522E-02 ppm1 8.918 ppm2 5.223 CV 1 ASSI { 164} (( segid " " and resid 104 and name HN )) ( segid " " and resid 103 and name HG2%) 3.800 1.800 1.800 peak 164 spectrum 1 weight 0.11000E+01 volume 0.37665E-02 ppm1 8.917 ppm2 1.184 CV 1 ASSI { 179} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.400 0.700 0.700 peak 179 spectrum 1 weight 0.11000E+01 volume 0.13071E-02 ppm1 8.834 ppm2 4.864 CV 1 ASSI { 181} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.100 1.200 1.200 peak 181 spectrum 1 weight 0.11000E+01 volume 0.17768E-02 ppm1 8.835 ppm2 3.724 CV 1 ASSI { 187} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB1 )) 3.100 1.200 1.200 peak 187 spectrum 1 weight 0.11000E+01 volume 0.13038E-02 ppm1 8.814 ppm2 1.739 CV 1 OR { 187} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) ASSI { 191} (( segid " " and resid 35 and name HN )) ( segid " " and resid 118 and name HE% ) 3.300 1.300 1.300 peak 191 spectrum 1 weight 0.10000E+01 volume 0.92498E-03 ppm1 8.789 ppm2 6.590 CV 1 ASSI { 194} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.800 0.900 0.900 peak 194 spectrum 1 weight 0.11000E+01 volume 0.35560E-02 ppm1 8.789 ppm2 2.758 CV 1 OR { 194} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) ASSI { 198} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 1.600 0.300 0.600 peak 198 spectrum 1 weight 0.11000E+01 volume 0.86807E-02 ppm1 8.758 ppm2 5.019 CV 1 ASSI { 200} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) 3.400 1.400 1.400 peak 200 spectrum 1 weight 0.11000E+01 volume 0.13695E-02 ppm1 8.757 ppm2 2.249 CV 1 ASSI { 202} (( segid " " and resid 39 and name HN )) (( segid " " and resid 60 and name HB1 )) 1.600 0.300 0.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.46306E-02 ppm1 8.757 ppm2 1.860 CV 1 ASSI { 205} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) 4.100 2.100 1.900 peak 205 spectrum 1 weight 0.11000E+01 volume 0.66798E-03 ppm1 8.683 ppm2 2.878 CV 1 ASSI { 214} (( segid " " and resid 37 and name HN )) (( segid " " and resid 79 and name HZ )) 3.800 1.800 1.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 8.682 ppm2 6.911 CV 1 ASSI { 219} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 2.900 1.000 1.000 peak 219 spectrum 1 weight 0.11000E+01 volume 0.19576E-02 ppm1 8.662 ppm2 5.362 CV 1 ASSI { 220} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) 1.900 0.400 0.400 peak 220 spectrum 1 weight 0.11000E+01 volume 0.82488E-02 ppm1 8.661 ppm2 4.959 CV 1 ASSI { 221} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) 2.700 0.900 0.900 peak 221 spectrum 1 weight 0.11000E+01 volume 0.46835E-02 ppm1 8.661 ppm2 1.987 CV 1 ASSI { 225} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 2.800 0.900 0.900 peak 225 spectrum 1 weight 0.11000E+01 volume 0.14301E-02 ppm1 8.635 ppm2 4.519 CV 1 ASSI { 227} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB1 )) 2.500 0.800 0.800 peak 227 spectrum 1 weight 0.11000E+01 volume 0.62711E-02 ppm1 8.635 ppm2 1.355 CV 1 OR { 227} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) ASSI { 228} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB1 )) 4.300 2.300 1.700 peak 228 spectrum 1 weight 0.11000E+01 volume 0.16255E-02 ppm1 8.662 ppm2 3.287 CV 1 ASSI { 229} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB2 )) 3.800 1.800 1.800 peak 229 spectrum 1 weight 0.11000E+01 volume 0.23907E-02 ppm1 8.662 ppm2 3.107 CV 1 ASSI { 232} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB1 )) 3.000 1.100 1.100 peak 232 spectrum 1 weight 0.11000E+01 volume 0.78164E-02 ppm1 8.629 ppm2 2.046 CV 1 OR { 232} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 233} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HB% ) 3.900 1.900 1.900 peak 233 spectrum 1 weight 0.11000E+01 volume 0.56642E-02 ppm1 8.628 ppm2 1.483 CV 1 ASSI { 236} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 2.100 0.600 0.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.56923E-02 ppm1 8.621 ppm2 4.294 CV 1 ASSI { 237} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.600 1.600 1.600 peak 237 spectrum 1 weight 0.11000E+01 volume 0.28758E-02 ppm1 8.621 ppm2 2.802 CV 1 ASSI { 238} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.000 1.100 1.100 peak 238 spectrum 1 weight 0.11000E+01 volume 0.35985E-02 ppm1 8.621 ppm2 2.707 CV 1 ASSI { 246} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HN )) 5.500 3.800 0.500 peak 246 spectrum 1 weight 0.11000E+01 volume 0.37855E-03 ppm1 8.582 ppm2 8.077 CV 1 ASSI { 248} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA1 )) 3.300 1.400 1.400 peak 248 spectrum 1 weight 0.11000E+01 volume 0.26276E-02 ppm1 8.582 ppm2 4.098 CV 1 ASSI { 249} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA2 )) 3.000 1.100 1.100 peak 249 spectrum 1 weight 0.11000E+01 volume 0.31850E-02 ppm1 8.582 ppm2 3.872 CV 1 ASSI { 250} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) 4.500 2.600 1.500 peak 250 spectrum 1 weight 0.11000E+01 volume 0.13743E-02 ppm1 8.581 ppm2 2.045 CV 1 OR { 250} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 258} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA2 )) 2.800 1.000 1.000 peak 258 spectrum 1 weight 0.11000E+01 volume 0.44247E-02 ppm1 8.545 ppm2 3.984 CV 1 OR { 258} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA1 )) ASSI { 260} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.700 0.900 0.900 peak 260 spectrum 1 weight 0.11000E+01 volume 0.16156E-02 ppm1 8.545 ppm2 5.226 CV 1 ASSI { 261} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HB% ) 2.400 0.700 0.700 peak 261 spectrum 1 weight 0.11000E+01 volume 0.63980E-02 ppm1 8.543 ppm2 1.561 CV 1 ASSI { 262} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 38 and name HD22)) 1.600 0.300 0.600 peak 262 spectrum 1 weight 0.11000E+01 volume 0.13792E-01 ppm1 8.546 ppm2 7.324 CV 1 ASSI { 266} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 2.800 1.000 1.000 peak 266 spectrum 1 weight 0.11000E+01 volume 0.22792E-02 ppm1 8.485 ppm2 5.779 CV 1 ASSI { 267} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA )) 1.700 0.400 0.500 peak 267 spectrum 1 weight 0.11000E+01 volume 0.18103E-01 ppm1 8.485 ppm2 4.908 CV 1 ASSI { 270} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB1 )) 3.200 1.300 1.300 peak 270 spectrum 1 weight 0.11000E+01 volume 0.26181E-02 ppm1 8.484 ppm2 1.946 CV 1 ASSI { 273} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HN )) 6.000 6.000 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.60874E-05 ppm1 8.484 ppm2 8.634 CV 1 ASSI { 277} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG2 )) 2.900 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.40615E-02 ppm1 8.483 ppm2 2.137 CV 1 OR { 277} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG1 )) ASSI { 278} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.100 1.200 1.200 peak 278 spectrum 1 weight 0.10000E+01 volume 0.78521E-02 ppm1 8.483 ppm2 1.894 CV 1 ASSI { 279} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HD1 )) 4.300 2.300 1.700 peak 279 spectrum 1 weight 0.10000E+01 volume 0.33427E-02 ppm1 8.483 ppm2 1.545 CV 1 OR { 279} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HD2 )) ASSI { 280} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 3.800 1.800 1.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.11195E-02 ppm1 8.480 ppm2 4.381 CV 1 ASSI { 289} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 2.400 0.700 0.700 peak 289 spectrum 1 weight 0.11000E+01 volume 0.62373E-02 ppm1 8.450 ppm2 4.350 CV 1 ASSI { 290} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA1 )) 2.600 0.900 0.900 peak 290 spectrum 1 weight 0.11000E+01 volume 0.79798E-02 ppm1 8.450 ppm2 4.053 CV 1 OR { 290} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA2 )) ASSI { 298} (( segid " " and resid 32 and name HN )) ( segid " " and resid 42 and name HD% ) 6.000 6.000 0.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.12081E-04 ppm1 8.402 ppm2 6.967 CV 1 ASSI { 300} (( segid " " and resid 32 and name HN )) (( segid " " and resid 42 and name HA )) 3.400 1.500 1.500 peak 300 spectrum 1 weight 0.10000E+01 volume 0.51733E-03 ppm1 8.399 ppm2 5.291 CV 1 ASSI { 303} (( segid " " and resid 32 and name HN )) (( segid " " and resid 41 and name HB1 )) 4.700 2.700 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.47468E-03 ppm1 8.399 ppm2 2.013 CV 1 OR { 303} (( segid " " and resid 32 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 305} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG1 )) 2.300 0.600 0.600 peak 305 spectrum 1 weight 0.11000E+01 volume 0.28805E-02 ppm1 8.399 ppm2 0.730 CV 1 OR { 305} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG2 )) ASSI { 308} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG12)) 1.900 0.500 0.500 peak 308 spectrum 1 weight 0.10000E+01 volume 0.27513E-02 ppm1 8.398 ppm2 0.546 CV 1 OR { 308} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG11)) ASSI { 310} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.500 0.800 0.800 peak 310 spectrum 1 weight 0.11000E+01 volume 0.12267E-01 ppm1 8.392 ppm2 4.364 CV 1 ASSI { 313} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 1.700 1.700 4.300 peak 313 spectrum 1 weight 0.11000E+01 volume 0.92596E-02 ppm1 8.393 ppm2 4.455 CV 1 ASSI { 316} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG1 )) 3.300 1.300 1.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.95973E-03 ppm1 8.392 ppm2 2.057 CV 1 OR { 316} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG2 )) ASSI { 320} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 1.400 0.200 0.800 peak 320 spectrum 1 weight 0.11000E+01 volume 0.71801E-02 ppm1 8.392 ppm2 5.187 CV 1 ASSI { 321} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.300 0.700 0.700 peak 321 spectrum 1 weight 0.11000E+01 volume 0.14067E-02 ppm1 8.392 ppm2 4.455 CV 1 ASSI { 323} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB1 )) 1.600 0.300 0.600 peak 323 spectrum 1 weight 0.11000E+01 volume 0.74191E-02 ppm1 8.392 ppm2 1.868 CV 1 OR { 323} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB2 )) ASSI { 324} (( segid " " and resid 111 and name HN )) (( segid " " and resid 88 and name HG )) 3.800 3.800 2.200 peak 324 spectrum 1 weight 0.10000E+01 volume 0.29210E-03 ppm1 8.391 ppm2 1.049 CV 1 ASSI { 332} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 2.500 0.800 0.800 peak 332 spectrum 1 weight 0.11000E+01 volume 0.15951E-02 ppm1 8.340 ppm2 7.584 CV 1 ASSI { 333} (( segid " " and resid 80 and name HN )) ( segid " " and resid 79 and name HD% ) 3.900 1.900 1.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.18087E-02 ppm1 8.341 ppm2 6.938 CV 1 ASSI { 336} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 2.500 0.800 0.800 peak 336 spectrum 1 weight 0.11000E+01 volume 0.48627E-02 ppm1 8.340 ppm2 3.017 CV 1 OR { 336} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) ASSI { 337} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB2 )) 2.000 0.500 0.500 peak 337 spectrum 1 weight 0.10000E+01 volume 0.10222E-01 ppm1 8.341 ppm2 1.498 CV 1 OR { 337} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB1 )) ASSI { 338} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG2 )) 3.800 1.800 1.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.36041E-02 ppm1 8.342 ppm2 1.078 CV 1 OR { 338} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG1 )) ASSI { 339} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) 1.700 1.700 4.300 peak 339 spectrum 1 weight 0.10000E+01 volume 0.94205E-02 ppm1 8.339 ppm2 1.633 CV 1 ASSI { 340} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 3.800 1.800 1.800 peak 340 spectrum 1 weight 0.11000E+01 volume 0.20571E-02 ppm1 8.321 ppm2 4.502 CV 1 ASSI { 342} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA2 )) 2.800 1.000 1.000 peak 342 spectrum 1 weight 0.11000E+01 volume 0.30316E-02 ppm1 8.323 ppm2 3.763 CV 1 ASSI { 346} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 1.800 0.400 0.400 peak 346 spectrum 1 weight 0.11000E+01 volume 0.12605E-01 ppm1 8.308 ppm2 4.735 CV 1 ASSI { 347} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB )) 3.300 1.400 1.400 peak 347 spectrum 1 weight 0.10000E+01 volume 0.34113E-02 ppm1 8.307 ppm2 2.039 CV 1 ASSI { 350} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HD1%) 4.600 2.600 1.400 peak 350 spectrum 1 weight 0.10000E+01 volume 0.28454E-02 ppm1 8.308 ppm2 0.939 CV 1 ASSI { 353} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA1 )) 2.900 1.000 1.000 peak 353 spectrum 1 weight 0.11000E+01 volume 0.27311E-02 ppm1 8.299 ppm2 4.146 CV 1 ASSI { 354} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA2 )) 3.600 1.600 1.600 peak 354 spectrum 1 weight 0.11000E+01 volume 0.21325E-02 ppm1 8.300 ppm2 3.755 CV 1 ASSI { 358} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA1 )) 2.400 0.700 0.700 peak 358 spectrum 1 weight 0.11000E+01 volume 0.24857E-02 ppm1 8.253 ppm2 4.077 CV 1 ASSI { 359} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA2 )) 2.900 1.000 1.000 peak 359 spectrum 1 weight 0.11000E+01 volume 0.19013E-02 ppm1 8.252 ppm2 3.586 CV 1 ASSI { 360} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HA )) 3.000 1.100 1.100 peak 360 spectrum 1 weight 0.11000E+01 volume 0.19669E-02 ppm1 8.253 ppm2 3.450 CV 1 ASSI { 362} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB )) 1.900 0.400 0.400 peak 362 spectrum 1 weight 0.11000E+01 volume 0.86027E-02 ppm1 8.253 ppm2 1.540 CV 1 ASSI { 365} (( segid " " and resid 83 and name HN )) ( segid " " and resid 83 and name HG1%) 3.600 1.600 1.600 peak 365 spectrum 1 weight 0.11000E+01 volume 0.84938E-02 ppm1 8.253 ppm2 -0.490 CV 1 ASSI { 381} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HN )) 2.000 0.500 0.500 peak 381 spectrum 1 weight 0.11000E+01 volume 0.66552E-02 ppm1 8.129 ppm2 7.742 CV 1 ASSI { 382} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HA1 )) 3.600 1.600 1.600 peak 382 spectrum 1 weight 0.11000E+01 volume 0.21861E-02 ppm1 8.129 ppm2 4.246 CV 1 ASSI { 383} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HA2 )) 2.900 1.100 1.100 peak 383 spectrum 1 weight 0.11000E+01 volume 0.32739E-02 ppm1 8.131 ppm2 3.965 CV 1 ASSI { 388} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 5.200 3.300 0.800 peak 388 spectrum 1 weight 0.11000E+01 volume 0.11324E-02 ppm1 8.076 ppm2 8.307 CV 1 ASSI { 389} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.600 0.800 0.800 peak 389 spectrum 1 weight 0.11000E+01 volume 0.10609E-01 ppm1 8.076 ppm2 4.736 CV 1 ASSI { 390} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA1 )) 3.400 1.400 1.400 peak 390 spectrum 1 weight 0.11000E+01 volume 0.23881E-02 ppm1 8.076 ppm2 4.096 CV 1 ASSI { 392} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB1 )) 3.600 1.600 1.600 peak 392 spectrum 1 weight 0.11000E+01 volume 0.40699E-02 ppm1 8.076 ppm2 2.875 CV 1 ASSI { 402} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG1 )) 3.900 1.900 1.900 peak 402 spectrum 1 weight 0.11000E+01 volume 0.24315E-02 ppm1 8.072 ppm2 2.422 CV 1 OR { 402} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG2 )) ASSI { 408} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 2.500 0.800 0.800 peak 408 spectrum 1 weight 0.11000E+01 volume 0.48936E-02 ppm1 8.033 ppm2 4.366 CV 1 ASSI { 409} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB1 )) 2.300 0.700 0.700 peak 409 spectrum 1 weight 0.11000E+01 volume 0.91552E-02 ppm1 8.033 ppm2 4.053 CV 1 OR { 409} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB2 )) ASSI { 410} (( segid " " and resid 85 and name HN )) ( segid " " and resid 84 and name HB% ) 2.900 1.100 1.100 peak 410 spectrum 1 weight 0.11000E+01 volume 0.73169E-02 ppm1 8.033 ppm2 1.431 CV 1 ASSI { 411} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.800 1.800 1.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.82470E-03 ppm1 8.007 ppm2 4.093 CV 1 ASSI { 412} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HG2%) 5.500 3.800 0.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.40773E-03 ppm1 8.008 ppm2 0.985 CV 1 ASSI { 413} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB )) 4.500 2.600 1.500 peak 413 spectrum 1 weight 0.10000E+01 volume 0.60402E-03 ppm1 8.006 ppm2 4.515 CV 1 ASSI { 417} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB2 )) 3.600 1.600 1.600 peak 417 spectrum 1 weight 0.10000E+01 volume 0.71201E-03 ppm1 8.001 ppm2 1.360 CV 1 OR { 417} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB1 )) ASSI { 439} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA2 )) 2.500 0.800 0.800 peak 439 spectrum 1 weight 0.11000E+01 volume 0.78239E-02 ppm1 7.971 ppm2 4.052 CV 1 OR { 439} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA1 )) ASSI { 441} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.200 0.600 0.600 peak 441 spectrum 1 weight 0.11000E+01 volume 0.23904E-01 ppm1 7.972 ppm2 1.735 CV 1 OR { 441} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 442} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG2 )) 2.400 0.700 0.700 peak 442 spectrum 1 weight 0.11000E+01 volume 0.13328E-01 ppm1 7.972 ppm2 1.454 CV 1 OR { 442} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG1 )) ASSI { 446} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HN )) 2.100 0.500 0.500 peak 446 spectrum 1 weight 0.11000E+01 volume 0.35378E-02 ppm1 7.945 ppm2 8.340 CV 1 ASSI { 447} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HN )) 1.600 0.300 0.600 peak 447 spectrum 1 weight 0.11000E+01 volume 0.81532E-02 ppm1 7.946 ppm2 7.817 CV 1 ASSI { 448} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 2.300 0.700 0.700 peak 448 spectrum 1 weight 0.11000E+01 volume 0.73475E-02 ppm1 7.946 ppm2 3.995 CV 1 ASSI { 449} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 3.500 1.500 1.500 peak 449 spectrum 1 weight 0.11000E+01 volume 0.98317E-03 ppm1 7.945 ppm2 3.452 CV 1 ASSI { 450} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HG1 )) 4.100 2.100 1.900 peak 450 spectrum 1 weight 0.11000E+01 volume 0.26670E-02 ppm1 7.946 ppm2 2.353 CV 1 ASSI { 451} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HG2 )) 4.000 2.000 2.000 peak 451 spectrum 1 weight 0.11000E+01 volume 0.23446E-02 ppm1 7.945 ppm2 2.167 CV 1 ASSI { 452} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) 2.100 0.500 0.500 peak 452 spectrum 1 weight 0.11000E+01 volume 0.12199E-01 ppm1 7.946 ppm2 2.024 CV 1 OR { 452} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB1 )) ASSI { 453} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB1 )) 2.300 0.700 0.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.50456E-02 ppm1 7.945 ppm2 1.497 CV 1 OR { 453} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB2 )) ASSI { 454} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HG2 )) 4.300 2.400 1.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.75127E-03 ppm1 7.945 ppm2 1.079 CV 1 OR { 454} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HG1 )) ASSI { 456} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA )) 2.300 0.700 0.700 peak 456 spectrum 1 weight 0.11000E+01 volume 0.11735E-02 ppm1 7.882 ppm2 4.332 CV 1 ASSI { 457} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) 1.900 0.400 0.400 peak 457 spectrum 1 weight 0.10000E+01 volume 0.22479E-02 ppm1 7.884 ppm2 1.888 CV 1 OR { 457} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB1 )) ASSI { 458} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HG )) 2.800 1.000 1.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.26469E-02 ppm1 7.882 ppm2 1.049 CV 1 ASSI { 459} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB )) 3.200 1.300 1.300 peak 459 spectrum 1 weight 0.11000E+01 volume 0.44664E-02 ppm1 7.846 ppm2 4.132 CV 1 ASSI { 467} (( segid " " and resid 82 and name HN )) (( segid " " and resid 88 and name HG )) 2.900 1.100 1.100 peak 467 spectrum 1 weight 0.10000E+01 volume 0.29896E-02 ppm1 7.821 ppm2 1.059 CV 1 ASSI { 470} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB1 )) 3.900 1.900 1.900 peak 470 spectrum 1 weight 0.11000E+01 volume 0.57994E-03 ppm1 7.805 ppm2 3.888 CV 1 ASSI { 471} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 3.300 1.300 1.300 peak 471 spectrum 1 weight 0.11000E+01 volume 0.15854E-02 ppm1 7.805 ppm2 4.499 CV 1 ASSI { 472} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 3.400 1.500 1.500 peak 472 spectrum 1 weight 0.11000E+01 volume 0.10993E-02 ppm1 7.805 ppm2 3.798 CV 1 ASSI { 474} (( segid " " and resid 89 and name HD21)) (( segid " " and resid 89 and name HB1 )) 3.000 1.100 1.100 peak 474 spectrum 1 weight 0.11000E+01 volume 0.18826E-02 ppm1 7.797 ppm2 3.174 CV 1 ASSI { 475} (( segid " " and resid 89 and name HD21)) (( segid " " and resid 89 and name HB2 )) 3.100 1.200 1.200 peak 475 spectrum 1 weight 0.11000E+01 volume 0.20679E-02 ppm1 7.797 ppm2 3.008 CV 1 ASSI { 477} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HN )) 2.200 0.600 0.600 peak 477 spectrum 1 weight 0.11000E+01 volume 0.60278E-02 ppm1 7.742 ppm2 8.032 CV 1 ASSI { 479} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA1 )) 2.800 1.000 1.000 peak 479 spectrum 1 weight 0.11000E+01 volume 0.58472E-02 ppm1 7.742 ppm2 4.249 CV 1 ASSI { 480} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA2 )) 2.100 0.500 0.500 peak 480 spectrum 1 weight 0.11000E+01 volume 0.87275E-02 ppm1 7.742 ppm2 3.964 CV 1 ASSI { 481} (( segid " " and resid 86 and name HN )) (( segid " " and resid 83 and name HA )) 4.600 2.700 1.400 peak 481 spectrum 1 weight 0.11000E+01 volume 0.48701E-03 ppm1 7.743 ppm2 3.318 CV 1 ASSI { 484} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA )) 2.600 0.800 0.800 peak 484 spectrum 1 weight 0.11000E+01 volume 0.70522E-02 ppm1 7.729 ppm2 4.063 CV 1 ASSI { 486} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 3.800 1.900 1.900 peak 486 spectrum 1 weight 0.11000E+01 volume 0.12066E-02 ppm1 7.729 ppm2 3.319 CV 1 ASSI { 487} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB )) 1.700 0.400 0.500 peak 487 spectrum 1 weight 0.11000E+01 volume 0.98546E-02 ppm1 7.728 ppm2 1.549 CV 1 ASSI { 489} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 2.100 0.600 0.600 peak 489 spectrum 1 weight 0.11000E+01 volume 0.36645E-02 ppm1 7.721 ppm2 9.020 CV 1 ASSI { 490} (( segid " " and resid 60 and name HN )) (( segid " " and resid 39 and name HN )) 3.000 1.100 1.100 peak 490 spectrum 1 weight 0.11000E+01 volume 0.70657E-03 ppm1 7.720 ppm2 8.759 CV 1 ASSI { 491} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.300 0.700 0.700 peak 491 spectrum 1 weight 0.11000E+01 volume 0.45693E-02 ppm1 7.722 ppm2 4.388 CV 1 ASSI { 493} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HA )) 3.000 1.100 1.100 peak 493 spectrum 1 weight 0.11000E+01 volume 0.11752E-02 ppm1 7.722 ppm2 3.409 CV 1 ASSI { 505} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 56 and name HG1 )) 3.100 1.200 1.200 peak 505 spectrum 1 weight 0.11000E+01 volume 0.39604E-02 ppm1 7.669 ppm2 2.420 CV 1 OR { 505} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 56 and name HG2 )) ASSI { 510} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HN )) 3.800 1.800 1.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.25021E-02 ppm1 7.610 ppm2 8.836 CV 1 ASSI { 511} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 3.900 1.900 1.900 peak 511 spectrum 1 weight 0.11000E+01 volume 0.26569E-02 ppm1 7.610 ppm2 8.410 CV 1 ASSI { 514} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 3.300 1.400 1.400 peak 514 spectrum 1 weight 0.11000E+01 volume 0.10642E-02 ppm1 7.609 ppm2 3.484 CV 1 ASSI { 515} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.500 1.500 1.500 peak 515 spectrum 1 weight 0.11000E+01 volume 0.23085E-02 ppm1 7.609 ppm2 2.880 CV 1 OR { 515} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 518} (( segid " " and resid 58 and name HN )) ( segid " " and resid 57 and name HG2%) 4.700 2.700 1.300 peak 518 spectrum 1 weight 0.11000E+01 volume 0.75699E-03 ppm1 7.566 ppm2 0.629 CV 1 ASSI { 521} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.200 0.600 0.600 peak 521 spectrum 1 weight 0.10000E+01 volume 0.56217E-02 ppm1 7.622 ppm2 4.065 CV 1 ASSI { 522} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 3.300 1.300 1.300 peak 522 spectrum 1 weight 0.11000E+01 volume 0.16995E-02 ppm1 7.621 ppm2 4.419 CV 1 ASSI { 523} (( segid " " and resid 27 and name HN )) ( segid " " and resid 27 and name HB% ) 3.200 1.300 1.300 peak 523 spectrum 1 weight 0.11000E+01 volume 0.43922E-02 ppm1 7.620 ppm2 0.994 CV 1 ASSI { 524} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 38 and name HB2 )) 5.300 3.600 0.700 peak 524 spectrum 1 weight 0.11000E+01 volume 0.45778E-03 ppm1 7.329 ppm2 2.254 CV 1 ASSI { 526} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 38 and name HB1 )) 4.000 2.000 2.000 peak 526 spectrum 1 weight 0.11000E+01 volume 0.29259E-02 ppm1 7.325 ppm2 2.974 CV 1 ASSI { 527} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 36 and name HB2 )) 4.900 3.100 1.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.11356E-02 ppm1 7.325 ppm2 2.675 CV 1 ASSI { 528} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB1 )) 4.400 2.400 1.600 peak 528 spectrum 1 weight 0.11000E+01 volume 0.14173E-02 ppm1 6.663 ppm2 2.746 CV 1 OR { 528} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB2 )) ASSI { 529} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HG2%) 3.500 1.500 1.500 peak 529 spectrum 1 weight 0.11000E+01 volume 0.35332E-02 ppm1 6.663 ppm2 0.683 CV 1 ASSI { 530} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HN )) 2.800 1.000 1.000 peak 530 spectrum 1 weight 0.11000E+01 volume 0.36472E-02 ppm1 6.661 ppm2 7.814 CV 1 ASSI { 537} (( segid " " and resid 41 and name HN )) (( segid " " and resid 32 and name HN )) 3.200 1.300 1.300 peak 537 spectrum 1 weight 0.11000E+01 volume 0.16779E-02 ppm1 7.444 ppm2 8.396 CV 1 ASSI { 538} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 2.400 0.700 0.700 peak 538 spectrum 1 weight 0.11000E+01 volume 0.31692E-02 ppm1 7.444 ppm2 4.466 CV 1 ASSI { 539} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 3.300 1.400 1.400 peak 539 spectrum 1 weight 0.11000E+01 volume 0.82616E-03 ppm1 7.445 ppm2 4.355 CV 1 ASSI { 541} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG1 )) 5.400 3.600 0.600 peak 541 spectrum 1 weight 0.11000E+01 volume 0.43855E-03 ppm1 7.444 ppm2 2.377 CV 1 OR { 541} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG2 )) ASSI { 542} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB1 )) 2.500 0.800 0.800 peak 542 spectrum 1 weight 0.11000E+01 volume 0.28075E-02 ppm1 7.445 ppm2 2.016 CV 1 OR { 542} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 543} (( segid " " and resid 41 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.100 3.100 2.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.92658E-03 ppm1 7.443 ppm2 1.619 CV 1 ASSI { 550} (( segid " " and resid 61 and name HD22)) (( segid " " and resid 61 and name HA )) 5.800 4.200 0.200 peak 550 spectrum 1 weight 0.11000E+01 volume 0.83978E-03 ppm1 7.494 ppm2 5.018 CV 1 ASSI { 552} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 41 and name HB2 )) 4.000 2.000 2.000 peak 552 spectrum 1 weight 0.11000E+01 volume 0.14469E-02 ppm1 7.607 ppm2 2.020 CV 1 OR { 552} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 41 and name HB1 )) ASSI { 556} (( segid " " and resid 87 and name HD21)) (( segid " " and resid 87 and name HB2 )) 2.800 0.900 0.900 peak 556 spectrum 1 weight 0.11000E+01 volume 0.54900E-02 ppm1 7.563 ppm2 2.747 CV 1 OR { 556} (( segid " " and resid 87 and name HD21)) (( segid " " and resid 87 and name HB1 )) ASSI { 557} (( segid " " and resid 117 and name HN )) ( segid " " and resid 118 and name HD% ) 6.000 6.000 0.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.24509E-04 ppm1 7.352 ppm2 6.812 CV 1 ASSI { 558} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 3.700 1.700 1.700 peak 558 spectrum 1 weight 0.11000E+01 volume 0.24824E-02 ppm1 7.350 ppm2 8.298 CV 1 ASSI { 559} (( segid " " and resid 117 and name HN )) ( segid " " and resid 118 and name HE% ) 5.800 4.200 0.200 peak 559 spectrum 1 weight 0.10000E+01 volume 0.94373E-04 ppm1 7.351 ppm2 6.590 CV 1 ASSI { 560} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 2.100 0.500 0.500 peak 560 spectrum 1 weight 0.11000E+01 volume 0.85367E-02 ppm1 7.350 ppm2 4.688 CV 1 ASSI { 561} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.200 0.600 0.600 peak 561 spectrum 1 weight 0.11000E+01 volume 0.31552E-02 ppm1 7.349 ppm2 4.554 CV 1 ASSI { 562} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.200 1.300 1.300 peak 562 spectrum 1 weight 0.11000E+01 volume 0.19572E-02 ppm1 7.350 ppm2 3.723 CV 1 ASSI { 565} (( segid " " and resid 117 and name HN )) ( segid " " and resid 112 and name HB% ) 3.200 3.200 2.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.40823E-02 ppm1 7.350 ppm2 1.473 CV 1 ASSI { 568} (( segid " " and resid 43 and name HD21)) (( segid " " and resid 43 and name HA )) 4.400 2.400 1.600 peak 568 spectrum 1 weight 0.11000E+01 volume 0.87105E-03 ppm1 7.410 ppm2 4.953 CV 1 ASSI { 569} (( segid " " and resid 43 and name HD21)) (( segid " " and resid 43 and name HB2 )) 2.200 0.600 0.600 peak 569 spectrum 1 weight 0.11000E+01 volume 0.55862E-02 ppm1 7.409 ppm2 2.874 CV 1 OR { 569} (( segid " " and resid 43 and name HD21)) (( segid " " and resid 43 and name HB1 )) ASSI { 570} (( segid " " and resid 43 and name HD21)) ( segid " " and resid 30 and name HB% ) 4.200 2.200 1.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.87141E-03 ppm1 7.410 ppm2 1.558 CV 1 ASSI { 577} (( segid " " and resid 99 and name HE21)) (( segid " " and resid 99 and name HB1 )) 4.300 2.300 1.700 peak 577 spectrum 1 weight 0.10000E+01 volume 0.24645E-02 ppm1 7.164 ppm2 1.735 CV 1 OR { 577} (( segid " " and resid 99 and name HE21)) (( segid " " and resid 99 and name HB2 )) ASSI { 586} (( segid " " and resid 43 and name HD22)) (( segid " " and resid 41 and name HG2 )) 5.700 4.000 0.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.65033E-04 ppm1 7.080 ppm2 2.364 CV 1 OR { 586} (( segid " " and resid 43 and name HD22)) (( segid " " and resid 41 and name HG1 )) ASSI { 587} (( segid " " and resid 43 and name HD22)) ( segid " " and resid 30 and name HB% ) 6.000 5.500 0.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.21126E-03 ppm1 7.082 ppm2 1.555 CV 1 ASSI { 595} (( segid " " and resid 99 and name HE22)) (( segid " " and resid 99 and name HG2 )) 5.700 4.100 0.300 peak 595 spectrum 1 weight 0.10000E+01 volume 0.56297E-03 ppm1 6.783 ppm2 1.404 CV 1 OR { 595} (( segid " " and resid 99 and name HE22)) (( segid " " and resid 99 and name HG1 )) ASSI { 600} (( segid " " and resid 56 and name HE22)) (( segid " " and resid 56 and name HG1 )) 5.600 3.900 0.400 peak 600 spectrum 1 weight 0.11000E+01 volume 0.68380E-03 ppm1 6.949 ppm2 2.428 CV 1 OR { 600} (( segid " " and resid 56 and name HE22)) (( segid " " and resid 56 and name HG2 )) ASSI { 608} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HN )) 1.800 0.400 0.400 peak 608 spectrum 1 weight 0.11000E+01 volume 0.18844E-02 ppm1 9.579 ppm2 7.443 CV 1 ASSI { 610} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD2%) 6.000 6.000 0.000 peak 610 spectrum 1 weight 0.11000E+01 volume 0.28389E-03 ppm1 9.580 ppm2 0.315 CV 1 OR { 610} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD1%) ASSI { 615} (( segid " " and resid 120 and name HN )) (( segid " " and resid 32 and name HA )) 3.000 1.100 1.100 peak 615 spectrum 1 weight 0.11000E+01 volume 0.40158E-03 ppm1 9.384 ppm2 4.093 CV 1 ASSI { 619} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB1 )) 3.300 1.400 1.400 peak 619 spectrum 1 weight 0.11000E+01 volume 0.74574E-03 ppm1 9.064 ppm2 3.203 CV 1 OR { 619} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB2 )) ASSI { 623} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB )) 3.900 1.900 1.900 peak 623 spectrum 1 weight 0.11000E+01 volume 0.81720E-03 ppm1 9.142 ppm2 4.130 CV 1 ASSI { 628} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HG1 )) 4.800 2.900 1.200 peak 628 spectrum 1 weight 0.11000E+01 volume 0.30727E-03 ppm1 9.556 ppm2 2.720 CV 1 OR { 628} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HG2 )) ASSI { 636} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HD1 )) 4.200 2.200 1.800 peak 636 spectrum 1 weight 0.11000E+01 volume 0.13562E-02 ppm1 8.390 ppm2 1.678 CV 1 OR { 636} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HD2 )) ASSI { 639} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HN )) 4.900 3.000 1.100 peak 639 spectrum 1 weight 0.11000E+01 volume 0.31466E-03 ppm1 9.658 ppm2 7.723 CV 1 ASSI { 645} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HA )) 3.100 1.200 1.200 peak 645 spectrum 1 weight 0.11000E+01 volume 0.21442E-02 ppm1 7.742 ppm2 4.064 CV 1 ASSI { 646} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB2 )) 3.100 1.200 1.200 peak 646 spectrum 1 weight 0.11000E+01 volume 0.43733E-02 ppm1 8.129 ppm2 2.747 CV 1 OR { 646} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB1 )) ASSI { 647} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 2.200 0.600 0.600 peak 647 spectrum 1 weight 0.11000E+01 volume 0.43651E-02 ppm1 8.130 ppm2 4.914 CV 1 ASSI { 650} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.200 1.300 1.300 peak 650 spectrum 1 weight 0.11000E+01 volume 0.38925E-03 ppm1 7.579 ppm2 3.019 CV 1 OR { 650} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) ASSI { 654} (( segid " " and resid 88 and name HN )) (( segid " " and resid 111 and name HN )) 5.000 3.100 1.000 peak 654 spectrum 1 weight 0.11000E+01 volume 0.15535E-03 ppm1 7.883 ppm2 8.392 CV 1 ASSI { 655} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB1 )) 5.500 3.700 0.500 peak 655 spectrum 1 weight 0.11000E+01 volume 0.18733E-03 ppm1 7.882 ppm2 2.744 CV 1 OR { 655} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB2 )) ASSI { 656} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 2.000 0.500 0.500 peak 656 spectrum 1 weight 0.11000E+01 volume 0.27507E-02 ppm1 7.882 ppm2 4.914 CV 1 ASSI { 658} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB1 )) 4.900 2.900 1.100 peak 658 spectrum 1 weight 0.11000E+01 volume 0.58011E-04 ppm1 8.933 ppm2 3.176 CV 1 ASSI { 679} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 3.700 1.700 1.700 peak 679 spectrum 1 weight 0.11000E+01 volume 0.78347E-03 ppm1 8.846 ppm2 4.052 CV 1 ASSI { 686} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 2.500 0.800 0.800 peak 686 spectrum 1 weight 0.11000E+01 volume 0.67332E-02 ppm1 8.300 ppm2 4.686 CV 1 ASSI { 688} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 4.500 2.500 1.500 peak 688 spectrum 1 weight 0.11000E+01 volume 0.49362E-03 ppm1 7.350 ppm2 8.833 CV 1 ASSI { 690} (( segid " " and resid 117 and name HN )) (( segid " " and resid 112 and name HN )) 4.100 2.100 1.900 peak 690 spectrum 1 weight 0.11000E+01 volume 0.55933E-03 ppm1 7.350 ppm2 8.393 CV 1 ASSI { 692} (( segid " " and resid 113 and name HN )) ( segid " " and resid 112 and name HB% ) 4.800 2.800 1.200 peak 692 spectrum 1 weight 0.11000E+01 volume 0.14953E-03 ppm1 8.814 ppm2 1.466 CV 1 ASSI { 694} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.800 1.800 1.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.89483E-03 ppm1 7.804 ppm2 1.740 CV 1 OR { 694} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB1 )) ASSI { 701} (( segid " " and resid 43 and name HN )) (( segid " " and resid 31 and name HG11)) 6.000 6.000 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.13419E-04 ppm1 9.112 ppm2 0.551 CV 1 OR { 701} (( segid " " and resid 43 and name HN )) (( segid " " and resid 31 and name HG12)) ASSI { 705} (( segid " " and resid 106 and name HN )) (( segid " " and resid 125 and name HN )) 5.700 4.000 0.300 peak 705 spectrum 1 weight 0.11000E+01 volume 0.35569E-03 ppm1 9.125 ppm2 7.986 CV 1 ASSI { 706} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG1%) 3.300 1.400 1.400 peak 706 spectrum 1 weight 0.11000E+01 volume 0.17369E-02 ppm1 9.262 ppm2 0.926 CV 1 ASSI { 710} (( segid " " and resid 123 and name HN )) ( segid " " and resid 122 and name HG2%) 3.300 1.400 1.400 peak 710 spectrum 1 weight 0.11000E+01 volume 0.42930E-02 ppm1 8.916 ppm2 0.733 CV 1 ASSI { 711} (( segid " " and resid 123 and name HN )) ( segid " " and resid 122 and name HG1%) 3.500 1.500 1.500 peak 711 spectrum 1 weight 0.11000E+01 volume 0.17562E-02 ppm1 8.918 ppm2 0.841 CV 1 ASSI { 718} (( segid " " and resid 67 and name HN )) ( segid " " and resid 67 and name HB% ) 5.000 3.200 1.000 peak 718 spectrum 1 weight 0.11000E+01 volume 0.31499E-03 ppm1 7.814 ppm2 0.469 CV 1 ASSI { 719} (( segid " " and resid 67 and name HN )) ( segid " " and resid 66 and name HG2%) 5.400 3.600 0.600 peak 719 spectrum 1 weight 0.11000E+01 volume 0.97936E-03 ppm1 7.814 ppm2 0.690 CV 1 ASSI { 723} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG12)) 4.600 2.700 1.400 peak 723 spectrum 1 weight 0.10000E+01 volume 0.47797E-03 ppm1 9.295 ppm2 0.539 CV 1 OR { 723} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG11)) ASSI { 727} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.800 1.800 1.800 peak 727 spectrum 1 weight 0.11000E+01 volume 0.50638E-03 ppm1 9.071 ppm2 1.820 CV 1 ASSI { 733} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.800 1.800 1.800 peak 733 spectrum 1 weight 0.11000E+01 volume 0.16987E-02 ppm1 8.865 ppm2 2.019 CV 1 OR { 733} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 735} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 1.800 0.400 0.400 peak 735 spectrum 1 weight 0.11000E+01 volume 0.76528E-02 ppm1 8.865 ppm2 4.466 CV 1 ASSI { 736} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 5.300 3.500 0.700 peak 736 spectrum 1 weight 0.11000E+01 volume 0.22138E-03 ppm1 8.866 ppm2 7.439 CV 1 ASSI { 738} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB )) 3.200 1.300 1.300 peak 738 spectrum 1 weight 0.11000E+01 volume 0.43615E-02 ppm1 8.374 ppm2 5.056 CV 1 ASSI { 741} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB1 )) 5.000 3.100 1.000 peak 741 spectrum 1 weight 0.11000E+01 volume 0.78636E-03 ppm1 8.308 ppm2 2.881 CV 1 ASSI { 742} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 4.900 2.900 1.100 peak 742 spectrum 1 weight 0.11000E+01 volume 0.74956E-03 ppm1 7.972 ppm2 8.447 CV 1 ASSI { 751} (( segid " " and resid 87 and name HD22)) (( segid " " and resid 87 and name HB2 )) 4.500 2.500 1.500 peak 751 spectrum 1 weight 0.11000E+01 volume 0.17393E-02 ppm1 6.947 ppm2 2.750 CV 1 OR { 751} (( segid " " and resid 87 and name HD22)) (( segid " " and resid 87 and name HB1 )) ASSI { 756} (( segid " " and resid 41 and name HE22)) (( segid " " and resid 41 and name HB2 )) 6.000 4.500 0.000 peak 756 spectrum 1 weight 0.11000E+01 volume 0.36264E-03 ppm1 7.091 ppm2 2.015 CV 1 OR { 756} (( segid " " and resid 41 and name HE22)) (( segid " " and resid 41 and name HB1 )) ASSI { 763} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB1 )) 4.500 2.500 1.500 peak 763 spectrum 1 weight 0.11000E+01 volume 0.78339E-03 ppm1 7.907 ppm2 2.745 CV 1 OR { 763} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB2 )) ASSI { 766} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 4.400 2.400 1.600 peak 766 spectrum 1 weight 0.11000E+01 volume 0.18868E-03 ppm1 6.661 ppm2 4.792 CV 1 ASSI { 767} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 3.800 1.800 1.800 peak 767 spectrum 1 weight 0.11000E+01 volume 0.19126E-02 ppm1 6.661 ppm2 7.928 CV 1 ASSI { 774} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) 5.600 4.000 0.400 peak 774 spectrum 1 weight 0.11000E+01 volume 0.10010E-03 ppm1 9.579 ppm2 8.755 CV 1 ASSI { 775} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HN )) 4.800 2.900 1.200 peak 775 spectrum 1 weight 0.11000E+01 volume 0.76187E-03 ppm1 8.662 ppm2 9.068 CV 1 ASSI { 780} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB1 )) 4.500 2.600 1.500 peak 780 spectrum 1 weight 0.11000E+01 volume 0.53011E-03 ppm1 9.110 ppm2 2.785 CV 1 OR { 780} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 781} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 6.000 5.100 0.000 peak 781 spectrum 1 weight 0.11000E+01 volume 0.12929E-03 ppm1 8.483 ppm2 9.122 CV 1 ASSI { 788} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 4.600 2.600 1.400 peak 788 spectrum 1 weight 0.11000E+01 volume 0.63866E-03 ppm1 7.815 ppm2 2.704 CV 1 OR { 788} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 791} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 3.700 1.700 1.700 peak 791 spectrum 1 weight 0.11000E+01 volume 0.75604E-03 ppm1 7.814 ppm2 6.957 CV 1 ASSI { 793} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 3.500 1.500 1.500 peak 793 spectrum 1 weight 0.11000E+01 volume 0.11327E-02 ppm1 7.846 ppm2 4.736 CV 1 ASSI { 799} (( segid " " and resid 85 and name HN )) (( segid " " and resid 81 and name HA )) 2.700 0.900 0.900 peak 799 spectrum 1 weight 0.11000E+01 volume 0.44394E-02 ppm1 8.031 ppm2 3.991 CV 1 ASSI { 811} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HN )) 4.100 2.100 1.900 peak 811 spectrum 1 weight 0.11000E+01 volume 0.12506E-02 ppm1 9.066 ppm2 8.917 CV 1 ASSI { 814} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.200 1.300 1.300 peak 814 spectrum 1 weight 0.10000E+01 volume 0.94364E-03 ppm1 8.918 ppm2 1.687 CV 1 ASSI { 829} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 56 and name HB2 )) 6.000 4.500 0.000 peak 829 spectrum 1 weight 0.11000E+01 volume 0.28617E-03 ppm1 7.670 ppm2 2.071 CV 1 ASSI { 830} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 56 and name HB1 )) 6.000 4.600 0.000 peak 830 spectrum 1 weight 0.11000E+01 volume 0.25469E-03 ppm1 7.670 ppm2 2.251 CV 1 ASSI { 831} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HG2%) 4.700 2.800 1.300 peak 831 spectrum 1 weight 0.11000E+01 volume 0.54705E-03 ppm1 7.633 ppm2 0.629 CV 1 ASSI { 838} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 2.900 1.000 1.000 peak 838 spectrum 1 weight 0.11000E+01 volume 0.43704E-02 ppm1 8.600 ppm2 4.670 CV 1 ASSI { 839} (( segid " " and resid 97 and name HN )) ( segid " " and resid 96 and name HD% ) 6.000 6.000 0.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.94479E-04 ppm1 8.600 ppm2 7.304 CV 1 ASSI { 841} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB2 )) 5.300 3.500 0.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.17746E-03 ppm1 8.600 ppm2 3.149 CV 1 ASSI { 842} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB1 )) 5.600 3.900 0.400 peak 842 spectrum 1 weight 0.10000E+01 volume 0.11165E-03 ppm1 8.600 ppm2 3.294 CV 1 ASSI { 844} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 4.500 2.500 1.500 peak 844 spectrum 1 weight 0.11000E+01 volume 0.78968E-03 ppm1 8.600 ppm2 2.617 CV 1 OR { 844} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB1 )) ASSI { 845} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB )) 6.000 4.600 0.000 peak 845 spectrum 1 weight 0.11000E+01 volume 0.12457E-03 ppm1 8.919 ppm2 3.760 CV 1 ASSI { 866} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.200 1.300 1.300 peak 866 spectrum 1 weight 0.10000E+01 volume 0.42925E-02 ppm1 8.636 ppm2 1.702 CV 1 ASSI { 872} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 32 and name HG2 )) 4.800 2.800 1.200 peak 872 spectrum 1 weight 0.10000E+01 volume 0.28874E-03 ppm1 10.371 ppm2 0.732 CV 1 OR { 872} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 32 and name HG1 )) ASSI { 874} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 5.700 4.000 0.300 peak 874 spectrum 1 weight 0.10000E+01 volume 0.23651E-03 ppm1 9.658 ppm2 9.244 CV 1 ASSI { 880} (( segid " " and resid 40 and name HN )) (( segid " " and resid 60 and name HB1 )) 4.100 2.100 1.900 peak 880 spectrum 1 weight 0.10000E+01 volume 0.16968E-03 ppm1 9.581 ppm2 1.857 CV 1 ASSI { 881} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB )) 4.300 2.300 1.700 peak 881 spectrum 1 weight 0.10000E+01 volume 0.21983E-03 ppm1 9.578 ppm2 2.041 CV 1 ASSI { 883} (( segid " " and resid 110 and name HN )) ( segid " " and resid 120 and name HG2%) 6.000 5.000 0.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.21919E-03 ppm1 9.554 ppm2 0.617 CV 1 OR { 883} (( segid " " and resid 110 and name HN )) ( segid " " and resid 120 and name HG1%) ASSI { 885} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB1 )) 3.800 1.800 1.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.15866E-03 ppm1 9.554 ppm2 2.240 CV 1 OR { 885} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB2 )) ASSI { 888} (( segid " " and resid 121 and name HN )) ( segid " " and resid 121 and name HE% ) 6.000 4.700 0.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.22665E-03 ppm1 9.440 ppm2 6.990 CV 1 ASSI { 889} (( segid " " and resid 121 and name HN )) ( segid " " and resid 30 and name HB% ) 5.800 4.200 0.200 peak 889 spectrum 1 weight 0.10000E+01 volume 0.22213E-03 ppm1 9.441 ppm2 1.564 CV 1 ASSI { 894} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB1 )) 5.500 3.800 0.500 peak 894 spectrum 1 weight 0.10000E+01 volume 0.17714E-03 ppm1 9.405 ppm2 3.473 CV 1 ASSI { 897} (( segid " " and resid 119 and name HN )) ( segid " " and resid 112 and name HB% ) 4.400 2.400 1.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.63360E-03 ppm1 9.398 ppm2 1.467 CV 1 ASSI { 898} (( segid " " and resid 119 and name HN )) (( segid " " and resid 110 and name HB1 )) 6.000 4.500 0.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.69979E-04 ppm1 9.400 ppm2 1.660 CV 1 OR { 898} (( segid " " and resid 119 and name HN )) (( segid " " and resid 110 and name HB2 )) ASSI { 899} (( segid " " and resid 119 and name HN )) (( segid " " and resid 110 and name HD2 )) 5.500 3.700 0.500 peak 899 spectrum 1 weight 0.10000E+01 volume 0.24901E-03 ppm1 9.393 ppm2 1.858 CV 1 OR { 899} (( segid " " and resid 119 and name HN )) (( segid " " and resid 110 and name HD1 )) ASSI { 900} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HN )) 4.100 2.100 1.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.20632E-03 ppm1 9.395 ppm2 8.840 CV 1 ASSI { 902} (( segid " " and resid 31 and name HN )) (( segid " " and resid 119 and name HE3 )) 3.700 1.700 1.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.38616E-03 ppm1 9.295 ppm2 6.931 CV 1 ASSI { 906} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HD1 )) 3.300 1.400 1.400 peak 906 spectrum 1 weight 0.10000E+01 volume 0.65569E-03 ppm1 9.242 ppm2 0.752 CV 1 ASSI { 908} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HB1 )) 3.100 3.100 2.900 peak 908 spectrum 1 weight 0.10000E+01 volume 0.99758E-03 ppm1 9.242 ppm2 1.855 CV 1 ASSI { 909} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HN )) 5.100 3.300 0.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.37185E-03 ppm1 9.225 ppm2 9.036 CV 1 ASSI { 913} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HN )) 5.200 3.300 0.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.33039E-03 ppm1 8.636 ppm2 7.998 CV 1 ASSI { 919} (( segid " " and resid 96 and name HN )) (( segid " " and resid 103 and name HB )) 6.000 5.300 0.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.10365E-03 ppm1 9.215 ppm2 3.759 CV 1 ASSI { 922} (( segid " " and resid 96 and name HN )) ( segid " " and resid 96 and name HE% ) 6.000 4.700 0.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.52367E-03 ppm1 9.213 ppm2 7.171 CV 1 ASSI { 927} (( segid " " and resid 105 and name HN )) ( segid " " and resid 96 and name HE% ) 4.100 2.100 1.900 peak 927 spectrum 1 weight 0.10000E+01 volume 0.18550E-03 ppm1 9.259 ppm2 7.171 CV 1 ASSI { 930} (( segid " " and resid 125 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.300 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.61133E-03 ppm1 8.001 ppm2 1.714 CV 1 ASSI { 937} (( segid " " and resid 107 and name HN )) ( segid " " and resid 92 and name HD% ) 3.900 1.900 1.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.22782E-03 ppm1 9.040 ppm2 7.123 CV 1 ASSI { 938} (( segid " " and resid 107 and name HN )) (( segid " " and resid 91 and name HA )) 5.600 3.900 0.400 peak 938 spectrum 1 weight 0.10000E+01 volume 0.26212E-03 ppm1 9.037 ppm2 5.789 CV 1 ASSI { 940} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HB2 )) 6.000 5.900 0.000 peak 940 spectrum 1 weight 0.10000E+01 volume 0.43935E-04 ppm1 9.035 ppm2 3.103 CV 1 ASSI { 941} (( segid " " and resid 107 and name HN )) (( segid " " and resid 93 and name HB2 )) 4.300 2.300 1.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.13640E-03 ppm1 9.036 ppm2 1.986 CV 1 ASSI { 945} (( segid " " and resid 122 and name HN )) ( segid " " and resid 121 and name HD% ) 4.900 3.000 1.100 peak 945 spectrum 1 weight 0.10000E+01 volume 0.30661E-03 ppm1 9.063 ppm2 7.247 CV 1 ASSI { 946} (( segid " " and resid 122 and name HN )) (( segid " " and resid 120 and name HA )) 3.500 3.500 2.500 peak 946 spectrum 1 weight 0.10000E+01 volume 0.44203E-03 ppm1 9.063 ppm2 4.826 CV 1 ASSI { 948} (( segid " " and resid 92 and name HN )) ( segid " " and resid 92 and name HD% ) 5.400 3.700 0.600 peak 948 spectrum 1 weight 0.10000E+01 volume 0.43518E-03 ppm1 9.064 ppm2 7.111 CV 1 ASSI { 949} (( segid " " and resid 59 and name HN )) (( segid " " and resid 39 and name HN )) 6.000 4.800 0.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.15843E-03 ppm1 9.025 ppm2 8.750 CV 1 ASSI { 951} (( segid " " and resid 38 and name HN )) (( segid " " and resid 79 and name HZ )) 4.500 2.600 1.500 peak 951 spectrum 1 weight 0.10000E+01 volume 0.98449E-04 ppm1 8.976 ppm2 6.897 CV 1 ASSI { 953} (( segid " " and resid 38 and name HN )) (( segid " " and resid 33 and name HB2 )) 4.200 2.200 1.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.21067E-03 ppm1 8.975 ppm2 1.638 CV 1 ASSI { 957} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HG2 )) 5.600 3.900 0.400 peak 957 spectrum 1 weight 0.10000E+01 volume 0.75562E-03 ppm1 8.919 ppm2 1.398 CV 1 OR { 957} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HG1 )) ASSI { 960} (( segid " " and resid 118 and name HN )) (( segid " " and resid 33 and name HB1 )) 5.500 3.800 0.500 peak 960 spectrum 1 weight 0.10000E+01 volume 0.24182E-03 ppm1 8.836 ppm2 1.744 CV 1 ASSI { 964} (( segid " " and resid 35 and name HN )) (( segid " " and resid 38 and name HN )) 6.000 5.100 0.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.14328E-03 ppm1 8.788 ppm2 8.960 CV 1 ASSI { 965} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HN )) 5.300 3.500 0.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.21369E-03 ppm1 8.681 ppm2 8.336 CV 1 ASSI { 966} (( segid " " and resid 93 and name HN )) ( segid " " and resid 92 and name HD% ) 4.700 2.700 1.300 peak 966 spectrum 1 weight 0.10000E+01 volume 0.73015E-03 ppm1 8.663 ppm2 7.126 CV 1 ASSI { 967} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.900 1.900 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.11130E-02 ppm1 8.624 ppm2 1.729 CV 1 OR { 967} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) ASSI { 968} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HD2 )) 5.300 3.500 0.700 peak 968 spectrum 1 weight 0.10000E+01 volume 0.39270E-04 ppm1 8.624 ppm2 3.127 CV 1 OR { 968} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HD1 )) ASSI { 971} (( segid " " and resid 30 and name HN )) ( segid " " and resid 42 and name HD% ) 6.000 5.100 0.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.19867E-03 ppm1 8.547 ppm2 6.964 CV 1 ASSI { 974} (( segid " " and resid 30 and name HN )) (( segid " " and resid 43 and name HN )) 4.900 3.000 1.100 peak 974 spectrum 1 weight 0.10000E+01 volume 0.42001E-03 ppm1 8.545 ppm2 9.100 CV 1 ASSI { 977} (( segid " " and resid 55 and name HN )) (( segid " " and resid 57 and name HN )) 6.000 4.600 0.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.43574E-03 ppm1 8.483 ppm2 7.631 CV 1 ASSI { 981} (( segid " " and resid 32 and name HN )) (( segid " " and resid 41 and name HG2 )) 6.000 6.000 0.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.13243E-03 ppm1 8.399 ppm2 2.376 CV 1 OR { 981} (( segid " " and resid 32 and name HN )) (( segid " " and resid 41 and name HG1 )) ASSI { 982} (( segid " " and resid 32 and name HN )) (( segid " " and resid 43 and name HN )) 5.600 3.900 0.400 peak 982 spectrum 1 weight 0.10000E+01 volume 0.13476E-03 ppm1 8.399 ppm2 9.111 CV 1 ASSI { 984} (( segid " " and resid 112 and name HN )) (( segid " " and resid 118 and name HB2 )) 4.900 3.000 1.100 peak 984 spectrum 1 weight 0.10000E+01 volume 0.37433E-03 ppm1 8.398 ppm2 2.691 CV 1 ASSI { 985} (( segid " " and resid 112 and name HN )) (( segid " " and resid 118 and name HB1 )) 4.900 3.000 1.100 peak 985 spectrum 1 weight 0.10000E+01 volume 0.19187E-03 ppm1 8.398 ppm2 2.857 CV 1 ASSI { 987} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HB2 )) 6.000 4.800 0.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.33823E-03 ppm1 8.340 ppm2 2.015 CV 1 OR { 987} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HB1 )) ASSI { 989} (( segid " " and resid 115 and name HN )) ( segid " " and resid 112 and name HB% ) 4.200 2.200 1.800 peak 989 spectrum 1 weight 0.10000E+01 volume 0.26944E-03 ppm1 8.323 ppm2 1.476 CV 1 ASSI { 991} (( segid " " and resid 87 and name HN )) (( segid " " and resid 83 and name HA )) 6.000 6.000 0.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.23234E-04 ppm1 8.131 ppm2 3.313 CV 1 ASSI { 995} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HB2 )) 5.300 3.500 0.700 peak 995 spectrum 1 weight 0.10000E+01 volume 0.12861E-03 ppm1 8.130 ppm2 1.895 CV 1 OR { 995} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HB1 )) ASSI { 996} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HD21)) 5.300 3.500 0.700 peak 996 spectrum 1 weight 0.10000E+01 volume 0.29437E-03 ppm1 8.132 ppm2 7.568 CV 1 ASSI { 1001} (( segid " " and resid 111 and name HN )) (( segid " " and resid 118 and name HA )) 5.200 3.400 0.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.11557E-03 ppm1 8.391 ppm2 4.871 CV 1 ASSI { 1006} (( segid " " and resid 83 and name HN )) ( segid " " and resid 79 and name HD% ) 6.000 6.000 0.000 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.79981E-04 ppm1 8.252 ppm2 6.931 CV 1 ASSI { 1008} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HG11)) 6.000 4.900 0.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.77936E-03 ppm1 8.076 ppm2 1.458 CV 1 ASSI { 1010} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HD2 )) 4.000 2.000 2.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.21860E-03 ppm1 8.071 ppm2 1.534 CV 1 OR { 1010} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HD1 )) ASSI { 1011} (( segid " " and resid 81 and name HN )) ( segid " " and resid 79 and name HD% ) 6.000 6.000 0.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.21240E-03 ppm1 7.946 ppm2 6.934 CV 1 ASSI { 1013} (( segid " " and resid 88 and name HN )) ( segid " " and resid 118 and name HD% ) 5.400 3.600 0.600 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.38057E-04 ppm1 7.882 ppm2 6.796 CV 1 ASSI { 1015} (( segid " " and resid 82 and name HN )) (( segid " " and resid 88 and name HA )) 5.800 4.200 0.200 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.46983E-03 ppm1 7.820 ppm2 4.330 CV 1 ASSI { 1017} (( segid " " and resid 114 and name HN )) ( segid " " and resid 112 and name HB% ) 3.100 1.200 1.200 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 7.806 ppm2 1.475 CV 1 ASSI { 1018} (( segid " " and resid 86 and name HN )) (( segid " " and resid 88 and name HG )) 6.000 6.000 0.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.14843E-03 ppm1 7.742 ppm2 1.053 CV 1 ASSI { 1021} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HB2 )) 6.000 6.000 0.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.91411E-04 ppm1 7.741 ppm2 2.747 CV 1 OR { 1021} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HB1 )) ASSI { 1026} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HB1 )) 6.000 6.000 0.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.25956E-04 ppm1 7.721 ppm2 2.752 CV 1 ASSI { 1028} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 56 and name HA )) 6.000 6.000 0.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.23661E-03 ppm1 7.669 ppm2 4.253 CV 1 ASSI { 1032} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 4.500 2.600 1.500 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.33747E-03 ppm1 7.566 ppm2 9.021 CV 1 ASSI { 1034} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD2%) 6.000 6.000 0.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.25175E-03 ppm1 7.622 ppm2 0.385 CV 1 ASSI { 1036} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 5.200 3.400 0.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.61570E-03 ppm1 7.624 ppm2 1.452 CV 1 ASSI { 1041} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 38 and name HN )) 5.600 4.000 0.400 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.38482E-03 ppm1 7.325 ppm2 8.975 CV 1 ASSI { 1046} (( segid " " and resid 43 and name HD22)) (( segid " " and resid 41 and name HB1 )) 4.900 2.900 1.100 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.24536E-03 ppm1 7.084 ppm2 2.022 CV 1 ASSI { 1047} (( segid " " and resid 32 and name HE22)) (( segid " " and resid 117 and name HB2 )) 3.300 1.300 1.300 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.35056E-03 ppm1 6.645 ppm2 3.593 CV 1 ASSI { 1049} (( segid " " and resid 32 and name HE21)) (( segid " " and resid 117 and name HB2 )) 4.600 2.600 1.400 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.19443E-03 ppm1 7.105 ppm2 3.593 CV 1 ASSI { 1051} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HB2 )) 6.000 6.000 0.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.12255E-03 ppm1 8.375 ppm2 2.694 CV 1 ASSI { 1052} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HB1 )) 6.000 6.000 0.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.89757E-04 ppm1 8.374 ppm2 2.872 CV 1 ASSI { 1054} (( segid " " and resid 87 and name HD22)) (( segid " " and resid 85 and name HB2 )) 5.000 3.100 1.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.44434E-03 ppm1 6.947 ppm2 4.044 CV 1 OR { 1054} (( segid " " and resid 87 and name HD22)) (( segid " " and resid 85 and name HB1 )) ASSI { 1055} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 3.500 1.500 1.500 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.90597E-03 ppm1 9.056 ppm2 4.715 CV 1 ASSI { 1057} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB2 )) 5.100 5.100 0.900 peak 1057 spectrum 1 weight 0.11000E+01 volume 0.27225E-03 ppm1 9.056 ppm2 1.370 CV 1 OR { 1057} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB1 )) ASSI { 1059} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 4.600 2.700 1.400 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.35278E-03 ppm1 6.950 ppm2 2.701 CV 1 OR { 1059} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) ASSI { 1061} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HB1 )) 6.000 6.000 0.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.11233E-03 ppm1 7.814 ppm2 2.752 CV 1 OR { 1061} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HB2 )) ! ! Ambiguous restraints from final ARIA run ! ======================================== ! ASSI { 69} (( segid " " and resid 119 and name HN )) (( segid " " and resid 112 and name HN )) 3.300 1.400 1.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.38554E-03 ppm1 9.388 ppm2 8.384 CV 1 OR { 69} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HN )) OR { 69} (( segid " " and resid 120 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 79} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HE3 )) 3.000 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.13577E-02 ppm1 9.381 ppm2 6.912 CV 1 OR { 79} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HE3 )) ASSI { 129} (( segid " " and resid 108 and name HN )) (( segid " " and resid 121 and name HB2 )) 3.600 1.600 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.81940E-03 ppm1 9.216 ppm2 3.158 CV 1 OR { 129} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) ASSI { 135} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HG2%) 3.400 1.500 1.500 peak 135 spectrum 1 weight 0.10000E+01 volume 0.31422E-02 ppm1 9.211 ppm2 1.057 CV 1 OR { 135} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB )) ASSI { 405} (( segid " " and resid 30 and name HN )) ( segid " " and resid 42 and name HE% ) 5.500 3.800 0.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.19605E-03 ppm1 8.543 ppm2 6.656 CV 1 OR { 405} (( segid " " and resid 29 and name HN )) ( segid " " and resid 42 and name HE% ) OR { 405} (( segid " " and resid 30 and name HN )) (( segid " " and resid 119 and name HZ3 )) ASSI { 407} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 36 and name HB1 )) 3.500 1.500 1.500 peak 407 spectrum 1 weight 0.10000E+01 volume 0.17925E-02 ppm1 8.536 ppm2 2.865 CV 1 OR { 407} (( segid " " and resid 30 and name HN )) (( segid " " and resid 43 and name HB2 )) OR { 407} (( segid " " and resid 30 and name HN )) (( segid " " and resid 43 and name HB1 )) ASSI { 461} (( segid " " and resid 32 and name HN )) (( segid " " and resid 119 and name HZ3 )) 5.400 3.600 0.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.27632E-03 ppm1 8.392 ppm2 6.654 CV 1 OR { 461} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HE22)) OR { 461} (( segid " " and resid 32 and name HN )) ( segid " " and resid 42 and name HE% ) ASSI { 478} (( segid " " and resid 111 and name HN )) ( segid " " and resid 118 and name HD% ) 3.300 1.400 1.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.91924E-03 ppm1 8.388 ppm2 6.820 CV 1 OR { 478} (( segid " " and resid 112 and name HN )) ( segid " " and resid 118 and name HD% ) ASSI { 482} (( segid " " and resid 112 and name HN )) (( segid " " and resid 119 and name HN )) 3.600 1.700 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.40694E-03 ppm1 8.387 ppm2 9.393 CV 1 OR { 482} (( segid " " and resid 111 and name HN )) (( segid " " and resid 119 and name HN )) OR { 482} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HN )) OR { 482} (( segid " " and resid 32 and name HN )) (( segid " " and resid 119 and name HN )) ASSI { 758} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) 2.200 0.600 0.600 peak 758 spectrum 1 weight 0.10000E+01 volume 0.13723E-02 ppm1 7.881 ppm2 1.889 CV 1 OR { 758} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB1 )) OR { 758} (( segid " " and resid 88 and name HN )) (( segid " " and resid 111 and name HB1 )) ASSI { 922} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 118 and name HD% ) 3.600 1.700 1.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.15699E-02 ppm1 7.348 ppm2 6.815 CV 1 OR { 922} (( segid " " and resid 117 and name HN )) ( segid " " and resid 118 and name HD% ) ASSI { 932} (( segid " " and resid 117 and name HN )) ( segid " " and resid 112 and name HB% ) 3.700 1.700 1.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.22770E-02 ppm1 7.347 ppm2 1.460 CV 1 OR { 932} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 112 and name HB% ) ASSI { 1096} (( segid " " and resid 36 and name HN )) ( segid " " and resid 79 and name HE% ) 6.000 4.700 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.41898E-03 ppm1 8.045 ppm2 7.355 CV 1 OR { 1096} (( segid " " and resid 36 and name HN )) (( segid " " and resid 117 and name HN )) ASSI { 1241} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 3.700 1.700 1.700 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.11274E-02 ppm1 7.810 ppm2 6.946 CV 1 OR { 1241} (( segid " " and resid 82 and name HN )) ( segid " " and resid 79 and name HD% ) ASSI { 1263} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB )) 2.200 0.600 0.600 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.85208E-02 ppm1 4.058 ppm2 2.013 CV 1 OR { 1263} (( segid " " and resid 84 and name HA )) (( segid " " and resid 81 and name HB1 )) ASSI { 1291} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 81 and name HG2 )) 3.400 1.500 1.500 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.31162E-02 ppm1 4.058 ppm2 2.168 CV 1 OR { 1291} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 81 and name HG2 )) OR { 1291} (( segid " " and resid 84 and name HA )) (( segid " " and resid 81 and name HG2 )) ASSI { 1434} (( segid " " and resid 112 and name HN )) (( segid " " and resid 118 and name HB2 )) 5.200 3.400 0.800 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.41301E-03 ppm1 8.388 ppm2 2.689 CV 1 OR { 1434} (( segid " " and resid 111 and name HN )) (( segid " " and resid 118 and name HB2 )) ASSI { 1444} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 5.800 4.200 0.200 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.92162E-04 ppm1 8.392 ppm2 9.454 CV 1 OR { 1444} (( segid " " and resid 112 and name HN )) (( segid " " and resid 33 and name HN )) ASSI { 1445} (( segid " " and resid 34 and name HN )) ( segid " " and resid 40 and name HD1%) 6.000 6.000 0.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.13672E-03 ppm1 8.336 ppm2 0.766 CV 1 OR { 1445} (( segid " " and resid 34 and name HN )) (( segid " " and resid 39 and name HG11)) ASSI { 1450} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HD2%) 6.000 5.700 0.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.28525E-03 ppm1 8.336 ppm2 -0.498 CV 1 OR { 1450} (( segid " " and resid 80 and name HN )) ( segid " " and resid 83 and name HG1%) ASSI { 1456} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HA )) 6.000 4.600 0.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.25193E-03 ppm1 8.754 ppm2 4.349 CV 1 OR { 1456} (( segid " " and resid 39 and name HN )) (( segid " " and resid 59 and name HA1 )) ASSI { 1460} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB )) 5.600 3.900 0.400 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.69204E-04 ppm1 9.575 ppm2 2.029 CV 1 OR { 1460} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HB1 )) ASSI { 1462} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HD1%) 3.800 1.800 1.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.93498E-03 ppm1 7.438 ppm2 0.765 CV 1 OR { 1462} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HG11)) ASSI { 1492} (( segid " " and resid 58 and name HN )) (( segid " " and resid 39 and name HG12)) 6.000 6.000 0.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.11319E-03 ppm1 7.563 ppm2 0.726 CV 1 OR { 1492} (( segid " " and resid 58 and name HN )) (( segid " " and resid 60 and name HD2 )) ASSI { 1493} (( segid " " and resid 59 and name HN )) (( segid " " and resid 39 and name HG12)) 4.600 2.600 1.400 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.99033E-03 ppm1 9.015 ppm2 0.726 CV 1 OR { 1493} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HD2 )) ASSI { 1536} (( segid " " and resid 106 and name HN )) ( segid " " and resid 122 and name HG2%) 5.600 4.000 0.400 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.55361E-03 ppm1 9.118 ppm2 0.717 CV 1 OR { 1536} (( segid " " and resid 106 and name HN )) ( segid " " and resid 107 and name HG1%) OR { 1536} (( segid " " and resid 43 and name HN )) (( segid " " and resid 32 and name HG2 )) ASSI { 1537} (( segid " " and resid 106 and name HN )) ( segid " " and resid 107 and name HG2%) 6.000 6.000 0.000 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.10180E-03 ppm1 9.118 ppm2 0.637 CV 1 OR { 1537} (( segid " " and resid 43 and name HN )) ( segid " " and resid 120 and name HG2%) ASSI { 1544} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.600 1.700 1.700 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.14565E-02 ppm1 7.804 ppm2 1.732 CV 1 OR { 1544} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB1 )) OR { 1544} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB1 )) ASSI { 1545} (( segid " " and resid 114 and name HN )) ( segid " " and resid 112 and name HB% ) 3.200 1.300 1.300 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.18550E-02 ppm1 7.804 ppm2 1.464 CV 1 OR { 1545} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG1 )) ASSI { 1549} (( segid " " and resid 119 and name HN )) ( segid " " and resid 33 and name HD1%) 6.000 4.700 0.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.24561E-03 ppm1 9.388 ppm2 0.229 CV 1 OR { 1549} (( segid " " and resid 120 and name HN )) ( segid " " and resid 33 and name HD1%) ASSI { 1556} (( segid " " and resid 120 and name HN )) (( segid " " and resid 31 and name HB )) 4.500 2.500 1.500 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.56984E-03 ppm1 9.381 ppm2 1.398 CV 1 OR { 1556} (( segid " " and resid 119 and name HN )) (( segid " " and resid 31 and name HB )) ASSI { 1571} (( segid " " and resid 119 and name HZ2 )) (( segid " " and resid 32 and name HG2 )) 2.800 1.000 1.000 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.38756E-02 ppm1 7.321 ppm2 0.720 CV 1 OR { 1571} (( segid " " and resid 119 and name HZ2 )) (( segid " " and resid 32 and name HG1 )) OR { 1571} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 60 and name HD2 )) ASSI { 1585} ( segid " " and resid 94 and name HD% ) ( segid " " and resid 107 and name HG1%) 3.900 1.900 1.900 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.10100E-01 ppm1 6.973 ppm2 0.719 CV 1 OR { 1585} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 32 and name HG1 )) OR { 1585} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 32 and name HG2 )) ASSI { 1597} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 31 and name HG12)) 4.600 2.700 1.400 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.26674E-02 ppm1 6.652 ppm2 0.520 CV 1 OR { 1597} (( segid " " and resid 32 and name HE22)) (( segid " " and resid 31 and name HG12)) ASSI { 1616} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 31 and name HB )) 2.000 0.500 0.500 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.59039E-02 ppm1 6.974 ppm2 1.392 CV 1 OR { 1616} ( segid " " and resid 42 and name HD% ) ( segid " " and resid 44 and name HB% ) ASSI { 1622} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 36 and name HB1 )) 4.300 2.400 1.700 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.13942E-02 ppm1 7.322 ppm2 2.865 CV 1 OR { 1622} (( segid " " and resid 119 and name HZ2 )) (( segid " " and resid 43 and name HB2 )) OR { 1622} (( segid " " and resid 119 and name HZ2 )) (( segid " " and resid 43 and name HB1 )) ASSI { 1627} ( segid " " and resid 94 and name HD% ) (( segid " " and resid 94 and name HB1 )) 2.300 0.700 0.700 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.10747E-01 ppm1 6.984 ppm2 2.855 CV 1 OR { 1627} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 43 and name HB1 )) ASSI { 1638} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 35 and name HA1 )) 4.000 2.000 2.000 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.77246E-03 ppm1 7.355 ppm2 3.891 CV 1 OR { 1638} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 35 and name HA2 )) OR { 1638} (( segid " " and resid 117 and name HN )) (( segid " " and resid 35 and name HA2 )) OR { 1638} (( segid " " and resid 117 and name HN )) (( segid " " and resid 35 and name HA1 )) ASSI { 1643} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 111 and name HA )) 1.600 0.300 0.600 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.36563E-02 ppm1 6.814 ppm2 4.444 CV 1 OR { 1643} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 112 and name HA )) ASSI { 1644} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 112 and name HA )) 1.600 0.300 0.600 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.63938E-02 ppm1 6.844 ppm2 4.447 CV 1 OR { 1644} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 111 and name HA )) ASSI { 1655} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 34 and name HA )) 3.900 1.900 1.900 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.21414E-03 ppm1 6.581 ppm2 5.070 CV 1 OR { 1655} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 36 and name HA )) ASSI { 1701} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 32 and name HG1 )) 4.900 3.000 1.100 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.24097E-02 ppm1 2.769 ppm2 0.728 CV 1 OR { 1701} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 32 and name HG1 )) OR { 1701} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 32 and name HG2 )) OR { 1701} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 32 and name HG2 )) OR { 1701} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 39 and name HG12)) ASSI { 1704} (( segid " " and resid 58 and name HA )) (( segid " " and resid 39 and name HG12)) 3.000 1.200 1.200 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.58742E-02 ppm1 3.401 ppm2 0.728 CV 1 OR { 1704} (( segid " " and resid 58 and name HA )) (( segid " " and resid 60 and name HD2 )) ASSI { 1711} (( segid " " and resid 84 and name HA )) ( segid " " and resid 83 and name HG2%) 6.000 4.600 0.000 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.19878E-02 ppm1 4.057 ppm2 0.666 CV 1 OR { 1711} (( segid " " and resid 85 and name HB1 )) ( segid " " and resid 83 and name HG2%) OR { 1711} (( segid " " and resid 85 and name HB2 )) ( segid " " and resid 83 and name HG2%) ASSI { 1713} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HG12)) 3.000 1.100 1.100 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.15736E-02 ppm1 4.018 ppm2 0.729 CV 1 OR { 1713} (( segid " " and resid 39 and name HA )) (( segid " " and resid 32 and name HG1 )) OR { 1713} (( segid " " and resid 39 and name HA )) ( segid " " and resid 40 and name HD2%) OR { 1713} (( segid " " and resid 39 and name HA )) (( segid " " and resid 60 and name HD2 )) ASSI { 1716} (( segid " " and resid 82 and name HA2 )) ( segid " " and resid 83 and name HG2%) 4.600 2.600 1.400 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.18366E-02 ppm1 3.581 ppm2 0.671 CV 1 OR { 1716} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 83 and name HG2%) ASSI { 1731} (( segid " " and resid 103 and name HA )) ( segid " " and resid 105 and name HG1%) 6.000 4.600 0.000 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.34861E-03 ppm1 4.456 ppm2 0.906 CV 1 OR { 1731} (( segid " " and resid 103 and name HA )) ( segid " " and resid 125 and name HG1%) ASSI { 1732} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name HD1%) 3.200 1.300 1.300 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.19066E-02 ppm1 4.342 ppm2 0.767 CV 1 OR { 1732} (( segid " " and resid 59 and name HA1 )) (( segid " " and resid 39 and name HG11)) ASSI { 1743} ( segid " " and resid 42 and name HE% ) ( segid " " and resid 44 and name HB% ) 2.900 1.000 1.000 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.42922E-02 ppm1 6.651 ppm2 1.399 CV 1 OR { 1743} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 31 and name HB )) ASSI { 1750} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 88 and name HB2 )) 2.500 0.800 0.800 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.17185E-02 ppm1 6.584 ppm2 1.886 CV 1 OR { 1750} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 88 and name HB1 )) OR { 1750} ( segid " " and resid 118 and name HE% ) (( segid " " and resid 111 and name HB1 )) ASSI { 1752} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 88 and name HB1 )) 1.900 0.500 0.500 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.18362E-02 ppm1 6.816 ppm2 1.881 CV 1 OR { 1752} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 88 and name HB2 )) OR { 1752} ( segid " " and resid 118 and name HD% ) (( segid " " and resid 111 and name HB1 )) ASSI { 1779} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB )) 3.700 1.700 1.700 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.79869E-03 ppm1 4.347 ppm2 2.033 CV 1 OR { 1779} (( segid " " and resid 59 and name HA1 )) (( segid " " and resid 39 and name HB )) ASSI { 1817} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 30 and name HB% ) 2.600 0.800 0.800 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.10113E-01 ppm1 2.861 ppm2 1.551 CV 1 OR { 1817} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 30 and name HB% ) OR { 1817} (( segid " " and resid 118 and name HB1 )) ( segid " " and resid 30 and name HB% ) ASSI { 1818} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 110 and name HG2 )) 4.100 2.100 1.900 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.81589E-02 ppm1 2.867 ppm2 1.480 CV 1 OR { 1818} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 110 and name HG1 )) OR { 1818} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 45 and name HB% ) OR { 1818} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 45 and name HB% ) ASSI { 1830} (( segid " " and resid 118 and name HB2 )) ( segid " " and resid 112 and name HB% ) 6.000 4.600 0.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.85308E-03 ppm1 2.697 ppm2 1.469 CV 1 OR { 1830} (( segid " " and resid 116 and name HB2 )) ( segid " " and resid 112 and name HB% ) OR { 1830} (( segid " " and resid 116 and name HB1 )) ( segid " " and resid 112 and name HB% ) ASSI { 1835} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 111 and name HB2 )) 5.300 3.500 0.700 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.12197E-02 ppm1 2.755 ppm2 1.844 CV 1 OR { 1835} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 111 and name HB2 )) OR { 1835} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 111 and name HB2 )) ASSI { 1848} (( segid " " and resid 39 and name HB )) (( segid " " and resid 39 and name HG12)) 1.900 0.500 0.500 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.13689E-01 ppm1 2.036 ppm2 0.729 CV 1 OR { 1848} (( segid " " and resid 39 and name HB )) (( segid " " and resid 60 and name HD2 )) OR { 1848} (( segid " " and resid 39 and name HB )) ( segid " " and resid 40 and name HD2%) ASSI { 1858} (( segid " " and resid 104 and name HB1 )) ( segid " " and resid 125 and name HG2%) 3.400 1.400 1.400 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.63201E-02 ppm1 1.797 ppm2 0.795 CV 1 OR { 1858} (( segid " " and resid 104 and name HB1 )) ( segid " " and resid 105 and name HG2%) OR { 1858} (( segid " " and resid 123 and name HB1 )) ( segid " " and resid 125 and name HG2%) ASSI { 1859} (( segid " " and resid 58 and name HB )) (( segid " " and resid 39 and name HG11)) 3.700 1.700 1.700 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.59619E-02 ppm1 1.841 ppm2 0.762 CV 1 OR { 1859} (( segid " " and resid 58 and name HB )) (( segid " " and resid 60 and name HD1 )) ASSI { 1865} (( segid " " and resid 106 and name HD1 )) ( segid " " and resid 125 and name HG2%) 3.500 3.500 2.500 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.82345E-02 ppm1 1.644 ppm2 0.795 CV 1 OR { 1865} (( segid " " and resid 106 and name HD2 )) ( segid " " and resid 125 and name HG2%) OR { 1865} (( segid " " and resid 123 and name HD1 )) ( segid " " and resid 125 and name HG2%) OR { 1865} (( segid " " and resid 123 and name HD2 )) ( segid " " and resid 125 and name HG2%) ASSI { 1869} (( segid " " and resid 120 and name HB )) ( segid " " and resid 120 and name HG1%) 2.100 0.500 0.500 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.50665E-02 ppm1 1.549 ppm2 0.584 CV 1 OR { 1869} ( segid " " and resid 30 and name HB% ) ( segid " " and resid 120 and name HG1%) ASSI { 1871} (( segid " " and resid 31 and name HB )) (( segid " " and resid 31 and name HG11)) 1.600 0.300 0.600 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.10897E-01 ppm1 1.401 ppm2 0.528 CV 1 OR { 1871} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 31 and name HG11)) ASSI { 1875} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 105 and name HG2%) 3.500 1.500 1.500 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.67295E-02 ppm1 1.363 ppm2 0.795 CV 1 OR { 1875} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 125 and name HG2%) ASSI { 1889} (( segid " " and resid 39 and name HG12)) ( segid " " and resid 39 and name HG2%) 2.600 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.53609E-02 ppm1 0.730 ppm2 0.305 CV 1 OR { 1889} (( segid " " and resid 32 and name HG1 )) ( segid " " and resid 39 and name HG2%) OR { 1889} (( segid " " and resid 32 and name HG2 )) ( segid " " and resid 39 and name HG2%) ASSI { 1904} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 62 and name HB1 )) 4.700 2.800 1.300 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.36957E-02 ppm1 2.753 ppm2 1.974 CV 1 OR { 1904} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 41 and name HB2 )) ASSI { 1921} (( segid " " and resid 115 and name HA2 )) (( segid " " and resid 115 and name HA1 )) 1.800 0.400 0.400 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.82442E-02 ppm1 3.752 ppm2 4.135 CV 1 OR { 1921} (( segid " " and resid 102 and name HD2 )) (( segid " " and resid 101 and name HB )) ASSI { 10} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB1 )) 3.000 1.100 1.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.17601E-02 ppm1 5.750 ppm2 3.462 CV 1 OR { 10} (( segid " " and resid 91 and name HA )) (( segid " " and resid 108 and name HB1 )) ASSI { 15} (( segid " " and resid 119 and name HA )) (( segid " " and resid 32 and name HA )) 1.500 0.300 0.700 peak 15 spectrum 1 weight 0.10000E+01 volume 0.25811E-02 ppm1 5.149 ppm2 4.085 CV 1 OR { 15} (( segid " " and resid 110 and name HA )) (( segid " " and resid 32 and name HA )) ASSI { 17} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB1 )) 1.800 0.400 0.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.11041E-01 ppm1 5.497 ppm2 3.182 CV 1 OR { 17} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HB1 )) OR { 17} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB2 )) ASSI { 18} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HB2 )) 2.100 0.500 0.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.36107E-02 ppm1 5.486 ppm2 2.993 CV 1 OR { 18} (( segid " " and resid 33 and name HA )) (( segid " " and resid 38 and name HB1 )) ASSI { 19} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB2 )) 2.600 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.21189E-02 ppm1 5.752 ppm2 3.068 CV 1 OR { 19} (( segid " " and resid 91 and name HA )) (( segid " " and resid 108 and name HB2 )) OR { 19} (( segid " " and resid 91 and name HA )) (( segid " " and resid 92 and name HB2 )) ASSI { 22} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB1 )) 2.700 0.900 0.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.26149E-02 ppm1 5.798 ppm2 2.253 CV 1 OR { 22} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) OR { 22} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HG1 )) OR { 22} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HG2 )) ASSI { 28} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB2 )) 2.800 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.23675E-02 ppm1 5.800 ppm2 1.821 CV 1 OR { 28} (( segid " " and resid 109 and name HA )) (( segid " " and resid 110 and name HD2 )) OR { 28} (( segid " " and resid 109 and name HA )) (( segid " " and resid 110 and name HD1 )) OR { 28} (( segid " " and resid 91 and name HA )) (( segid " " and resid 106 and name HB2 )) ASSI { 30} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) 2.400 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.25452E-02 ppm1 5.068 ppm2 2.766 CV 1 OR { 30} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB2 )) OR { 30} (( segid " " and resid 36 and name HA )) (( segid " " and resid 34 and name HB2 )) OR { 30} (( segid " " and resid 36 and name HA )) (( segid " " and resid 34 and name HB1 )) ASSI { 31} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 3.000 1.100 1.100 peak 31 spectrum 1 weight 0.10000E+01 volume 0.44616E-02 ppm1 5.069 ppm2 2.665 CV 1 OR { 31} (( segid " " and resid 34 and name HA )) (( segid " " and resid 36 and name HB2 )) ASSI { 35} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB )) 2.100 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.29542E-02 ppm1 5.271 ppm2 2.077 CV 1 OR { 35} (( segid " " and resid 105 and name HA )) (( segid " " and resid 122 and name HB )) OR { 35} (( segid " " and resid 95 and name HA )) (( segid " " and resid 105 and name HB )) ASSI { 37} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) 2.100 0.600 0.600 peak 37 spectrum 1 weight 0.10000E+01 volume 0.59314E-02 ppm1 5.461 ppm2 1.625 CV 1 OR { 37} (( segid " " and resid 89 and name HA )) (( segid " " and resid 110 and name HB1 )) OR { 37} (( segid " " and resid 89 and name HA )) (( segid " " and resid 110 and name HB2 )) ASSI { 39} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG2 )) 2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.55818E-02 ppm1 5.184 ppm2 1.492 CV 1 OR { 39} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG1 )) OR { 39} (( segid " " and resid 110 and name HA )) ( segid " " and resid 112 and name HB% ) ASSI { 40} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB2 )) 2.100 0.500 0.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.48314E-02 ppm1 5.182 ppm2 1.658 CV 1 OR { 40} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB1 )) OR { 40} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD2 )) ASSI { 41} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB1 )) 3.000 1.100 1.100 peak 41 spectrum 1 weight 0.10000E+01 volume 0.44271E-02 ppm1 5.185 ppm2 1.822 CV 1 OR { 41} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HB2 )) OR { 41} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HD2 )) OR { 41} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HD1 )) OR { 41} (( segid " " and resid 30 and name HA )) (( segid " " and resid 110 and name HD2 )) OR { 41} (( segid " " and resid 30 and name HA )) (( segid " " and resid 110 and name HD1 )) ASSI { 42} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB2 )) 2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.56711E-02 ppm1 4.942 ppm2 1.796 CV 1 OR { 42} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB1 )) OR { 42} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB1 )) OR { 42} (( segid " " and resid 92 and name HA )) (( segid " " and resid 91 and name HB2 )) OR { 42} (( segid " " and resid 90 and name HA )) (( segid " " and resid 91 and name HB2 )) OR { 42} (( segid " " and resid 106 and name HA )) (( segid " " and resid 123 and name HB1 )) OR { 42} (( segid " " and resid 92 and name HA )) (( segid " " and resid 106 and name HB2 )) OR { 42} (( segid " " and resid 92 and name HA )) (( segid " " and resid 106 and name HB1 )) OR { 42} (( segid " " and resid 94 and name HA )) (( segid " " and resid 104 and name HB1 )) OR { 42} (( segid " " and resid 94 and name HA )) (( segid " " and resid 106 and name HB2 )) ASSI { 43} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HG2 )) 2.900 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.36059E-02 ppm1 4.945 ppm2 1.889 CV 1 OR { 43} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HG1 )) OR { 43} (( segid " " and resid 87 and name HA )) (( segid " " and resid 111 and name HB1 )) OR { 43} (( segid " " and resid 87 and name HA )) (( segid " " and resid 88 and name HB2 )) OR { 43} (( segid " " and resid 87 and name HA )) (( segid " " and resid 88 and name HB1 )) ASSI { 44} (( segid " " and resid 87 and name HA )) (( segid " " and resid 111 and name HD2 )) 2.900 1.100 1.100 peak 44 spectrum 1 weight 0.10000E+01 volume 0.25915E-02 ppm1 4.921 ppm2 1.641 CV 1 OR { 44} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HD1 )) OR { 44} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HD2 )) OR { 44} (( segid " " and resid 90 and name HA )) (( segid " " and resid 110 and name HB1 )) OR { 44} (( segid " " and resid 90 and name HA )) (( segid " " and resid 110 and name HB2 )) OR { 44} (( segid " " and resid 92 and name HA )) (( segid " " and resid 106 and name HD1 )) OR { 44} (( segid " " and resid 92 and name HA )) (( segid " " and resid 106 and name HD2 )) OR { 44} (( segid " " and resid 106 and name HA )) (( segid " " and resid 123 and name HD2 )) ASSI { 45} (( segid " " and resid 43 and name HA )) ( segid " " and resid 44 and name HB% ) 4.700 2.800 1.300 peak 45 spectrum 1 weight 0.10000E+01 volume 0.15705E-02 ppm1 4.945 ppm2 1.406 CV 1 OR { 45} (( segid " " and resid 123 and name HA )) (( segid " " and resid 124 and name HG2 )) OR { 45} (( segid " " and resid 123 and name HA )) (( segid " " and resid 124 and name HG1 )) ASSI { 46} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB2 )) 3.100 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.16378E-02 ppm1 5.022 ppm2 2.227 CV 1 OR { 46} (( segid " " and resid 61 and name HA )) (( segid " " and resid 38 and name HB2 )) ASSI { 52} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB2 )) 1.800 0.400 0.400 peak 52 spectrum 1 weight 0.10000E+01 volume 0.20818E-01 ppm1 4.909 ppm2 2.735 CV 1 OR { 52} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB1 )) OR { 52} (( segid " " and resid 90 and name HA )) (( segid " " and resid 109 and name HG2 )) OR { 52} (( segid " " and resid 90 and name HA )) (( segid " " and resid 109 and name HG1 )) OR { 52} (( segid " " and resid 87 and name HA )) (( segid " " and resid 118 and name HB2 )) ASSI { 54} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB1 )) 2.700 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.14312E-02 ppm1 5.019 ppm2 2.973 CV 1 OR { 54} (( segid " " and resid 61 and name HA )) (( segid " " and resid 38 and name HB1 )) OR { 54} (( segid " " and resid 122 and name HA )) (( segid " " and resid 124 and name HD2 )) ASSI { 55} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) 2.100 0.600 0.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.12640E-01 ppm1 4.941 ppm2 2.864 CV 1 OR { 55} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB1 )) OR { 55} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB2 )) OR { 55} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) ASSI { 56} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB2 )) 2.600 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.35974E-02 ppm1 4.952 ppm2 3.103 CV 1 OR { 56} (( segid " " and resid 90 and name HA )) (( segid " " and resid 108 and name HB2 )) ASSI { 57} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB2 )) 3.100 1.200 1.200 peak 57 spectrum 1 weight 0.10000E+01 volume 0.24993E-02 ppm1 5.008 ppm2 3.177 CV 1 OR { 57} (( segid " " and resid 107 and name HA )) (( segid " " and resid 121 and name HB2 )) ASSI { 63} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HB2 )) 2.300 2.300 3.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17470E-01 ppm1 4.544 ppm2 2.672 CV 1 OR { 63} (( segid " " and resid 117 and name HA )) (( segid " " and resid 116 and name HB1 )) ASSI { 68} (( segid " " and resid 85 and name HA )) (( segid " " and resid 81 and name HG2 )) 4.100 2.100 1.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.31209E-02 ppm1 4.371 ppm2 2.144 CV 1 OR { 68} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HG2 )) OR { 68} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HG1 )) ASSI { 69} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB )) 3.000 1.100 1.100 peak 69 spectrum 1 weight 0.10000E+01 volume 0.96247E-02 ppm1 4.353 ppm2 2.039 CV 1 OR { 69} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HG1 )) OR { 69} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HG2 )) OR { 69} (( segid " " and resid 59 and name HA1 )) (( segid " " and resid 39 and name HB )) OR { 69} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HB1 )) OR { 69} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HB2 )) ASSI { 70} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HG2 )) 2.400 0.700 0.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.48960E-02 ppm1 4.459 ppm2 2.035 CV 1 OR { 70} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB1 )) OR { 70} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HG1 )) OR { 70} (( segid " " and resid 112 and name HA )) (( segid " " and resid 111 and name HG1 )) OR { 70} (( segid " " and resid 112 and name HA )) (( segid " " and resid 111 and name HG2 )) OR { 70} (( segid " " and resid 41 and name HA )) (( segid " " and resid 39 and name HB )) OR { 70} (( segid " " and resid 103 and name HA )) (( segid " " and resid 125 and name HB )) OR { 70} (( segid " " and resid 103 and name HA )) (( segid " " and resid 105 and name HB )) OR { 70} (( segid " " and resid 37 and name HA1 )) (( segid " " and resid 39 and name HB )) ASSI { 72} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB2 )) 2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.57112E-02 ppm1 4.444 ppm2 1.865 CV 1 OR { 72} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB1 )) OR { 72} (( segid " " and resid 111 and name HA )) (( segid " " and resid 88 and name HB1 )) OR { 72} (( segid " " and resid 111 and name HA )) (( segid " " and resid 88 and name HB2 )) OR { 72} (( segid " " and resid 112 and name HA )) (( segid " " and resid 110 and name HD1 )) OR { 72} (( segid " " and resid 112 and name HA )) (( segid " " and resid 111 and name HB1 )) OR { 72} (( segid " " and resid 112 and name HA )) (( segid " " and resid 110 and name HD2 )) OR { 72} (( segid " " and resid 112 and name HA )) (( segid " " and resid 111 and name HB2 )) OR { 72} (( segid " " and resid 41 and name HA )) (( segid " " and resid 58 and name HB )) OR { 72} (( segid " " and resid 111 and name HA )) (( segid " " and resid 110 and name HD2 )) OR { 72} (( segid " " and resid 111 and name HA )) (( segid " " and resid 110 and name HD1 )) OR { 72} (( segid " " and resid 37 and name HA1 )) (( segid " " and resid 60 and name HB1 )) ASSI { 73} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB1 )) 2.900 1.100 1.100 peak 73 spectrum 1 weight 0.10000E+01 volume 0.39445E-02 ppm1 4.391 ppm2 1.862 CV 1 OR { 73} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HB2 )) OR { 73} (( segid " " and resid 85 and name HA )) (( segid " " and resid 88 and name HB2 )) OR { 73} (( segid " " and resid 85 and name HA )) (( segid " " and resid 88 and name HB1 )) ASSI { 75} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HD1 )) 2.100 0.600 0.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.87816E-02 ppm1 4.889 ppm2 4.077 CV 1 OR { 75} (( segid " " and resid 87 and name HA )) (( segid " " and resid 85 and name HB2 )) ASSI { 76} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB )) 2.500 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.43893E-02 ppm1 4.922 ppm2 4.133 CV 1 OR { 76} (( segid " " and resid 53 and name HA )) (( segid " " and resid 55 and name HA )) ASSI { 83} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB )) 2.600 0.800 0.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.75330E-02 ppm1 4.484 ppm2 3.778 CV 1 OR { 83} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB2 )) OR { 83} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HA2 )) ASSI { 84} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB1 )) 2.700 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.86181E-02 ppm1 4.484 ppm2 3.882 CV 1 OR { 84} (( segid " " and resid 112 and name HA )) (( segid " " and resid 114 and name HB1 )) ASSI { 88} (( segid " " and resid 115 and name HA1 )) (( segid " " and resid 115 and name HA2 )) 1.900 0.400 0.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.96221E-02 ppm1 4.126 ppm2 3.754 CV 1 OR { 88} (( segid " " and resid 101 and name HB )) (( segid " " and resid 102 and name HD2 )) OR { 88} (( segid " " and resid 115 and name HA1 )) (( segid " " and resid 114 and name HB2 )) ASSI { 89} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HD2 )) 3.500 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.97388E-02 ppm1 4.357 ppm2 3.997 CV 1 OR { 89} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HA2 )) ASSI { 90} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB2 )) 2.500 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.11811E-01 ppm1 4.355 ppm2 4.064 CV 1 OR { 90} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB1 )) OR { 90} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HD1 )) OR { 90} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HA1 )) OR { 90} (( segid " " and resid 85 and name HA )) (( segid " " and resid 84 and name HA )) OR { 90} (( segid " " and resid 45 and name HA )) (( segid " " and resid 47 and name HA1 )) ASSI { 94} (( segid " " and resid 47 and name HA1 )) (( segid " " and resid 47 and name HA2 )) 1.500 0.300 0.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.27489E-01 ppm1 4.073 ppm2 3.871 CV 1 OR { 94} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 35 and name HA2 )) OR { 94} (( segid " " and resid 79 and name HA )) (( segid " " and resid 35 and name HA2 )) ASSI { 95} (( segid " " and resid 81 and name HA )) (( segid " " and resid 80 and name HA )) 3.100 1.200 1.200 peak 95 spectrum 1 weight 0.10000E+01 volume 0.99112E-02 ppm1 4.004 ppm2 3.436 CV 1 OR { 95} (( segid " " and resid 39 and name HA )) (( segid " " and resid 58 and name HA )) OR { 95} (( segid " " and resid 77 and name HA1 )) (( segid " " and resid 80 and name HA )) OR { 95} (( segid " " and resid 77 and name HA2 )) (( segid " " and resid 80 and name HA )) ASSI { 96} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB1 )) 3.000 1.100 1.100 peak 96 spectrum 1 weight 0.10000E+01 volume 0.27983E-02 ppm1 4.106 ppm2 3.039 CV 1 OR { 96} (( segid " " and resid 90 and name HB )) (( segid " " and resid 89 and name HB2 )) OR { 96} (( segid " " and resid 90 and name HB )) (( segid " " and resid 108 and name HB2 )) OR { 96} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 89 and name HB2 )) ASSI { 97} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 82 and name HA2 )) 1.600 0.300 0.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.65673E-02 ppm1 4.074 ppm2 3.574 CV 1 OR { 97} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 82 and name HA2 )) OR { 97} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 82 and name HA2 )) OR { 97} (( segid " " and resid 79 and name HA )) (( segid " " and resid 82 and name HA2 )) OR { 97} (( segid " " and resid 84 and name HA )) (( segid " " and resid 82 and name HA2 )) ASSI { 106} (( segid " " and resid 105 and name HA )) ( segid " " and resid 105 and name HG2%) 3.500 1.500 1.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.36351E-02 ppm1 5.269 ppm2 0.797 CV 1 OR { 106} (( segid " " and resid 95 and name HA )) ( segid " " and resid 105 and name HG2%) OR { 106} (( segid " " and resid 42 and name HA )) ( segid " " and resid 31 and name HG2%) OR { 106} (( segid " " and resid 105 and name HA )) ( segid " " and resid 125 and name HG2%) ASSI { 107} (( segid " " and resid 105 and name HA )) ( segid " " and resid 105 and name HG1%) 2.500 0.800 0.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.28586E-02 ppm1 5.272 ppm2 0.898 CV 1 OR { 107} (( segid " " and resid 95 and name HA )) ( segid " " and resid 105 and name HG1%) OR { 107} (( segid " " and resid 105 and name HA )) ( segid " " and resid 125 and name HG1%) ASSI { 109} (( segid " " and resid 122 and name HA )) ( segid " " and resid 122 and name HG1%) 2.900 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.30650E-02 ppm1 5.040 ppm2 0.851 CV 1 OR { 109} (( segid " " and resid 107 and name HA )) ( segid " " and resid 122 and name HG1%) ASSI { 110} (( segid " " and resid 107 and name HA )) ( segid " " and resid 107 and name HG1%) 2.900 1.100 1.100 peak 110 spectrum 1 weight 0.10000E+01 volume 0.44992E-02 ppm1 5.041 ppm2 0.742 CV 1 OR { 110} (( segid " " and resid 122 and name HA )) ( segid " " and resid 122 and name HG2%) OR { 110} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HG11)) OR { 110} (( segid " " and resid 107 and name HA )) ( segid " " and resid 122 and name HG2%) OR { 110} (( segid " " and resid 122 and name HA )) ( segid " " and resid 107 and name HG1%) OR { 110} (( segid " " and resid 38 and name HA )) (( segid " " and resid 60 and name HD2 )) OR { 110} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HG12)) OR { 110} (( segid " " and resid 38 and name HA )) (( segid " " and resid 60 and name HD1 )) ASSI { 111} (( segid " " and resid 106 and name HA )) ( segid " " and resid 107 and name HG2%) 3.800 1.800 1.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.47622E-02 ppm1 4.965 ppm2 0.625 CV 1 OR { 111} (( segid " " and resid 92 and name HA )) ( segid " " and resid 107 and name HG2%) ASSI { 113} (( segid " " and resid 122 and name HA )) ( segid " " and resid 107 and name HG2%) 4.000 2.000 2.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.31201E-02 ppm1 5.064 ppm2 0.673 CV 1 OR { 113} (( segid " " and resid 36 and name HA )) ( segid " " and resid 83 and name HG2%) OR { 113} (( segid " " and resid 34 and name HA )) ( segid " " and resid 120 and name HG2%) OR { 113} (( segid " " and resid 34 and name HA )) ( segid " " and resid 83 and name HG2%) ASSI { 114} (( segid " " and resid 107 and name HA )) ( segid " " and resid 107 and name HG2%) 3.600 1.600 1.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.14343E-02 ppm1 5.039 ppm2 0.627 CV 1 OR { 114} (( segid " " and resid 122 and name HA )) ( segid " " and resid 107 and name HG2%) OR { 114} (( segid " " and resid 38 and name HA )) ( segid " " and resid 39 and name HD1%) OR { 114} (( segid " " and resid 36 and name HA )) ( segid " " and resid 83 and name HG2%) ASSI { 116} (( segid " " and resid 31 and name HA )) ( segid " " and resid 120 and name HG2%) 5.300 3.600 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.15727E-02 ppm1 4.552 ppm2 0.673 CV 1 OR { 116} (( segid " " and resid 31 and name HA )) ( segid " " and resid 39 and name HD1%) OR { 116} (( segid " " and resid 117 and name HA )) ( segid " " and resid 120 and name HG2%) ASSI { 117} (( segid " " and resid 101 and name HA )) ( segid " " and resid 101 and name HG2%) 3.100 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.44904E-02 ppm1 4.745 ppm2 1.212 CV 1 OR { 117} (( segid " " and resid 48 and name HA )) ( segid " " and resid 49 and name HG2%) ASSI { 119} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name HD1%) 2.600 0.800 0.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.90367E-02 ppm1 4.344 ppm2 0.770 CV 1 OR { 119} (( segid " " and resid 59 and name HA1 )) (( segid " " and resid 39 and name HG12)) OR { 119} (( segid " " and resid 59 and name HA1 )) (( segid " " and resid 39 and name HG11)) ASSI { 120} (( segid " " and resid 60 and name HA )) ( segid " " and resid 39 and name HD1%) 5.600 3.900 0.400 peak 120 spectrum 1 weight 0.10000E+01 volume 0.14566E-02 ppm1 4.350 ppm2 0.673 CV 1 OR { 120} (( segid " " and resid 59 and name HA1 )) ( segid " " and resid 39 and name HD1%) OR { 120} (( segid " " and resid 88 and name HA )) ( segid " " and resid 83 and name HG2%) OR { 120} (( segid " " and resid 85 and name HA )) ( segid " " and resid 83 and name HG2%) ASSI { 121} (( segid " " and resid 60 and name HA )) ( segid " " and resid 39 and name HD1%) 5.100 3.200 0.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.19863E-02 ppm1 4.372 ppm2 0.630 CV 1 OR { 121} (( segid " " and resid 59 and name HA1 )) ( segid " " and resid 39 and name HD1%) OR { 121} (( segid " " and resid 40 and name HA )) ( segid " " and resid 39 and name HD1%) OR { 121} (( segid " " and resid 85 and name HA )) ( segid " " and resid 83 and name HG2%) ASSI { 122} (( segid " " and resid 103 and name HA )) ( segid " " and resid 105 and name HG1%) 3.600 1.700 1.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.85250E-02 ppm1 4.462 ppm2 0.908 CV 1 OR { 122} (( segid " " and resid 41 and name HA )) ( segid " " and resid 58 and name HD1%) OR { 122} (( segid " " and resid 103 and name HA )) ( segid " " and resid 125 and name HG1%) ASSI { 125} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HG )) 1.600 0.300 0.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.11614E-01 ppm1 4.323 ppm2 1.056 CV 1 OR { 125} (( segid " " and resid 85 and name HA )) (( segid " " and resid 88 and name HG )) ASSI { 126} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 88 and name HG )) 1.600 0.300 0.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.94691E-02 ppm1 4.102 ppm2 1.057 CV 1 OR { 126} (( segid " " and resid 79 and name HA )) (( segid " " and resid 88 and name HG )) OR { 126} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 88 and name HG )) OR { 126} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 88 and name HG )) OR { 126} (( segid " " and resid 79 and name HA )) (( segid " " and resid 80 and name HG2 )) OR { 126} (( segid " " and resid 79 and name HA )) (( segid " " and resid 80 and name HG1 )) ASSI { 130} (( segid " " and resid 57 and name HA )) ( segid " " and resid 57 and name HG1%) 3.000 1.100 1.100 peak 130 spectrum 1 weight 0.10000E+01 volume 0.73798E-02 ppm1 4.070 ppm2 0.599 CV 1 OR { 130} (( segid " " and resid 57 and name HA )) ( segid " " and resid 57 and name HG2%) OR { 130} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HD1%) ASSI { 131} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HD1%) 2.900 1.100 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.59936E-02 ppm1 4.055 ppm2 0.670 CV 1 OR { 131} (( segid " " and resid 82 and name HA1 )) ( segid " " and resid 83 and name HG2%) OR { 131} (( segid " " and resid 32 and name HA )) ( segid " " and resid 120 and name HG2%) OR { 131} (( segid " " and resid 84 and name HA )) ( segid " " and resid 83 and name HG2%) OR { 131} (( segid " " and resid 85 and name HB1 )) ( segid " " and resid 83 and name HG2%) OR { 131} (( segid " " and resid 85 and name HB2 )) ( segid " " and resid 83 and name HG2%) ASSI { 132} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HG11)) 2.800 1.000 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.38252E-02 ppm1 4.023 ppm2 0.735 CV 1 OR { 132} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HG12)) OR { 132} (( segid " " and resid 39 and name HA )) ( segid " " and resid 40 and name HD2%) OR { 132} (( segid " " and resid 39 and name HA )) ( segid " " and resid 40 and name HD1%) OR { 132} (( segid " " and resid 39 and name HA )) (( segid " " and resid 60 and name HD2 )) OR { 132} (( segid " " and resid 39 and name HA )) (( segid " " and resid 60 and name HD1 )) ASSI { 137} (( segid " " and resid 35 and name HA2 )) ( segid " " and resid 83 and name HG2%) 2.700 2.700 3.300 peak 137 spectrum 1 weight 0.10000E+01 volume 0.79732E-02 ppm1 3.889 ppm2 0.669 CV 1 OR { 137} (( segid " " and resid 35 and name HA1 )) ( segid " " and resid 83 and name HG2%) OR { 137} (( segid " " and resid 35 and name HA1 )) ( segid " " and resid 120 and name HG2%) OR { 137} (( segid " " and resid 35 and name HA2 )) ( segid " " and resid 120 and name HG2%) ASSI { 141} (( segid " " and resid 90 and name HB )) ( segid " " and resid 90 and name HG2%) 2.200 0.600 0.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.13043E-01 ppm1 4.135 ppm2 1.213 CV 1 OR { 141} (( segid " " and resid 101 and name HB )) ( segid " " and resid 101 and name HG2%) ASSI { 144} (( segid " " and resid 44 and name HA )) ( segid " " and resid 44 and name HB% ) 2.100 0.500 0.500 peak 144 spectrum 1 weight 0.10000E+01 volume 0.20734E-01 ppm1 4.356 ppm2 1.406 CV 1 OR { 144} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) OR { 144} (( segid " " and resid 85 and name HA )) ( segid " " and resid 84 and name HB% ) OR { 144} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HB% ) ASSI { 145} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HB% ) 2.400 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.17568E-01 ppm1 4.363 ppm2 1.472 CV 1 OR { 145} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HG11)) OR { 145} (( segid " " and resid 44 and name HA )) ( segid " " and resid 45 and name HB% ) ASSI { 146} (( segid " " and resid 112 and name HA )) ( segid " " and resid 112 and name HB% ) 1.800 0.400 0.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.16572E-01 ppm1 4.447 ppm2 1.462 CV 1 OR { 146} (( segid " " and resid 111 and name HA )) ( segid " " and resid 112 and name HB% ) OR { 146} (( segid " " and resid 112 and name HA )) (( segid " " and resid 110 and name HG1 )) OR { 146} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HG1 )) ASSI { 147} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB1 )) 2.500 0.800 0.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.39214E-02 ppm1 4.489 ppm2 1.360 CV 1 OR { 147} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HG2 )) OR { 147} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HG1 )) OR { 147} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HG2 )) OR { 147} (( segid " " and resid 41 and name HA )) ( segid " " and resid 44 and name HB% ) ASSI { 148} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HG )) 2.800 1.000 1.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.73962E-02 ppm1 4.307 ppm2 1.262 CV 1 OR { 148} (( segid " " and resid 88 and name HA )) ( segid " " and resid 90 and name HG2%) ASSI { 149} (( segid " " and resid 49 and name HA )) ( segid " " and resid 49 and name HG2%) 2.300 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.16548E-01 ppm1 4.343 ppm2 1.262 CV 1 OR { 149} (( segid " " and resid 50 and name HA )) ( segid " " and resid 50 and name HG2%) OR { 149} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HG )) ASSI { 150} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB )) 2.000 0.500 0.500 peak 150 spectrum 1 weight 0.10000E+01 volume 0.23778E-01 ppm1 4.034 ppm2 2.016 CV 1 OR { 150} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB )) OR { 150} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB )) OR { 150} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 81 and name HB1 )) OR { 150} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 81 and name HB1 )) OR { 150} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 81 and name HB1 )) OR { 150} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 111 and name HG2 )) OR { 150} (( segid " " and resid 84 and name HA )) (( segid " " and resid 81 and name HB1 )) OR { 150} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 111 and name HG1 )) ASSI { 151} (( segid " " and resid 102 and name HD1 )) (( segid " " and resid 102 and name HG2 )) 1.900 0.500 0.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.23251E-01 ppm1 3.973 ppm2 2.010 CV 1 OR { 151} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB1 )) OR { 151} (( segid " " and resid 102 and name HD1 )) (( segid " " and resid 102 and name HG1 )) OR { 151} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB2 )) ASSI { 152} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HG2 )) 3.000 1.100 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.12760E-01 ppm1 3.973 ppm2 2.165 CV 1 OR { 152} (( segid " " and resid 102 and name HD1 )) (( segid " " and resid 102 and name HB2 )) OR { 152} (( segid " " and resid 102 and name HD1 )) (( segid " " and resid 102 and name HB1 )) ASSI { 153} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 81 and name HG2 )) 3.200 1.300 1.300 peak 153 spectrum 1 weight 0.10000E+01 volume 0.82776E-02 ppm1 4.055 ppm2 2.170 CV 1 OR { 153} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 81 and name HG2 )) OR { 153} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 55 and name HG1 )) OR { 153} (( segid " " and resid 84 and name HA )) (( segid " " and resid 81 and name HG2 )) ASSI { 154} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG1 )) 3.500 1.600 1.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.40779E-02 ppm1 4.046 ppm2 2.353 CV 1 OR { 154} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG2 )) OR { 154} (( segid " " and resid 84 and name HA )) (( segid " " and resid 81 and name HG1 )) ASSI { 158} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB )) 2.600 0.900 0.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.57748E-02 ppm1 3.746 ppm2 1.808 CV 1 OR { 158} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) ASSI { 160} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB )) 2.400 0.700 0.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.22388E-02 ppm1 3.403 ppm2 1.841 CV 1 OR { 160} (( segid " " and resid 58 and name HA )) (( segid " " and resid 60 and name HB1 )) ASSI { 161} (( segid " " and resid 58 and name HA )) (( segid " " and resid 39 and name HB )) 2.600 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.26574E-02 ppm1 3.401 ppm2 2.043 CV 1 OR { 161} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HB1 )) OR { 161} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HB2 )) ASSI { 162} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB2 )) 2.100 0.600 0.600 peak 162 spectrum 1 weight 0.10000E+01 volume 0.12776E-01 ppm1 3.443 ppm2 1.496 CV 1 OR { 162} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB1 )) OR { 162} (( segid " " and resid 80 and name HA )) (( segid " " and resid 83 and name HB )) ASSI { 164} (( segid " " and resid 103 and name HB )) ( segid " " and resid 103 and name HG2%) 2.900 1.000 1.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.49347E-02 ppm1 3.738 ppm2 1.209 CV 1 OR { 164} (( segid " " and resid 102 and name HD2 )) ( segid " " and resid 101 and name HG2%) ASSI { 168} (( segid " " and resid 58 and name HA )) (( segid " " and resid 39 and name HG12)) 2.900 1.000 1.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.51699E-02 ppm1 3.402 ppm2 0.735 CV 1 OR { 168} (( segid " " and resid 58 and name HA )) (( segid " " and resid 39 and name HG11)) OR { 168} (( segid " " and resid 58 and name HA )) (( segid " " and resid 60 and name HD1 )) OR { 168} (( segid " " and resid 58 and name HA )) (( segid " " and resid 60 and name HD2 )) ASSI { 169} (( segid " " and resid 80 and name HA )) ( segid " " and resid 83 and name HG2%) 3.000 3.000 3.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.51167E-02 ppm1 3.459 ppm2 0.673 CV 1 OR { 169} (( segid " " and resid 108 and name HB1 )) ( segid " " and resid 107 and name HG2%) ASSI { 170} (( segid " " and resid 82 and name HA2 )) ( segid " " and resid 83 and name HG2%) 4.100 2.100 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.46821E-02 ppm1 3.564 ppm2 0.674 CV 1 OR { 170} (( segid " " and resid 37 and name HA2 )) ( segid " " and resid 39 and name HD1%) OR { 170} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 120 and name HG2%) OR { 170} (( segid " " and resid 82 and name HA2 )) ( segid " " and resid 120 and name HG2%) ASSI { 171} (( segid " " and resid 117 and name HB1 )) ( segid " " and resid 40 and name HD2%) 3.300 1.400 1.400 peak 171 spectrum 1 weight 0.10000E+01 volume 0.44774E-02 ppm1 3.744 ppm2 0.767 CV 1 OR { 171} (( segid " " and resid 103 and name HB )) ( segid " " and resid 105 and name HG2%) OR { 171} (( segid " " and resid 103 and name HB )) ( segid " " and resid 125 and name HG2%) ASSI { 172} (( segid " " and resid 37 and name HA2 )) ( segid " " and resid 33 and name HD1%) 3.800 1.800 1.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.26556E-02 ppm1 3.577 ppm2 0.231 CV 1 OR { 172} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 33 and name HD1%) ASSI { 174} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB1 )) 2.500 0.800 0.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.10454E-01 ppm1 4.209 ppm2 2.047 CV 1 OR { 174} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) OR { 174} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB2 )) ASSI { 175} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 88 and name HB2 )) 3.200 1.300 1.300 peak 175 spectrum 1 weight 0.10000E+01 volume 0.62811E-02 ppm1 4.033 ppm2 1.869 CV 1 OR { 175} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 88 and name HB1 )) OR { 175} (( segid " " and resid 39 and name HA )) (( segid " " and resid 60 and name HB1 )) OR { 175} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 88 and name HB2 )) OR { 175} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 88 and name HB2 )) OR { 175} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HB )) OR { 175} (( segid " " and resid 39 and name HA )) (( segid " " and resid 58 and name HB )) OR { 175} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 88 and name HB1 )) OR { 175} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 55 and name HB1 )) OR { 175} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 88 and name HB1 )) OR { 175} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 111 and name HB2 )) OR { 175} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 111 and name HB2 )) OR { 175} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 55 and name HB2 )) OR { 175} (( segid " " and resid 84 and name HA )) (( segid " " and resid 88 and name HB2 )) OR { 175} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 111 and name HB2 )) OR { 175} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 111 and name HB1 )) ASSI { 177} (( segid " " and resid 113 and name HA )) (( segid " " and resid 111 and name HD2 )) 4.300 2.300 1.700 peak 177 spectrum 1 weight 0.10000E+01 volume 0.71015E-02 ppm1 4.118 ppm2 1.644 CV 1 OR { 177} (( segid " " and resid 115 and name HA1 )) (( segid " " and resid 111 and name HD2 )) OR { 177} (( segid " " and resid 90 and name HB )) (( segid " " and resid 110 and name HB1 )) OR { 177} (( segid " " and resid 90 and name HB )) (( segid " " and resid 110 and name HB2 )) OR { 177} (( segid " " and resid 79 and name HA )) (( segid " " and resid 111 and name HD2 )) ASSI { 180} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB2 )) 2.000 0.500 0.500 peak 180 spectrum 1 weight 0.10000E+01 volume 0.61881E-02 ppm1 4.392 ppm2 1.704 CV 1 OR { 180} (( segid " " and resid 85 and name HA )) (( segid " " and resid 111 and name HD1 )) ASSI { 182} (( segid " " and resid 111 and name HA )) (( segid " " and resid 89 and name HB1 )) 5.200 3.400 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.55883E-03 ppm1 4.422 ppm2 3.195 CV 1 OR { 182} (( segid " " and resid 112 and name HA )) (( segid " " and resid 121 and name HB2 )) OR { 182} (( segid " " and resid 111 and name HA )) (( segid " " and resid 121 and name HB2 )) OR { 182} (( segid " " and resid 112 and name HA )) (( segid " " and resid 121 and name HB1 )) OR { 182} (( segid " " and resid 111 and name HA )) (( segid " " and resid 121 and name HB1 )) ASSI { 190} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 108 and name HB2 )) 1.300 0.200 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.18586E-01 ppm1 3.457 ppm2 3.068 CV 1 OR { 190} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HB1 )) ASSI { 192} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HB2 )) 1.600 0.300 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.92914E-02 ppm1 2.973 ppm2 2.229 CV 1 OR { 192} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 109 and name HB2 )) OR { 192} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 109 and name HB1 )) OR { 192} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 109 and name HB1 )) ASSI { 195} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 111 and name HD1 )) 3.500 1.500 1.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.14659E-01 ppm1 3.026 ppm2 1.722 CV 1 OR { 195} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 33 and name HB1 )) OR { 195} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 111 and name HD1 )) ASSI { 197} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 58 and name HB )) 3.600 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.77100E-02 ppm1 3.663 ppm2 1.868 CV 1 OR { 197} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 60 and name HB1 )) ASSI { 198} (( segid " " and resid 115 and name HA2 )) (( segid " " and resid 111 and name HB1 )) 4.800 2.900 1.200 peak 198 spectrum 1 weight 0.10000E+01 volume 0.40427E-02 ppm1 3.735 ppm2 1.869 CV 1 OR { 198} (( segid " " and resid 115 and name HA2 )) (( segid " " and resid 111 and name HB2 )) OR { 198} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 111 and name HB2 )) OR { 198} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 88 and name HB1 )) OR { 198} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 111 and name HB1 )) OR { 198} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 88 and name HB2 )) OR { 198} (( segid " " and resid 115 and name HA2 )) (( segid " " and resid 88 and name HB1 )) ASSI { 199} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 39 and name HG2%) 3.300 1.400 1.400 peak 199 spectrum 1 weight 0.10000E+01 volume 0.23923E-02 ppm1 2.749 ppm2 0.312 CV 1 OR { 199} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 39 and name HG2%) OR { 199} (( segid " " and resid 34 and name HB1 )) ( segid " " and resid 39 and name HG2%) ASSI { 200} (( segid " " and resid 94 and name HB1 )) ( segid " " and resid 105 and name HG2%) 4.000 2.000 2.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.19588E-02 ppm1 2.879 ppm2 0.797 CV 1 OR { 200} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 31 and name HG2%) OR { 200} (( segid " " and resid 36 and name HB1 )) ( segid " " and resid 40 and name HD1%) OR { 200} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 31 and name HG2%) OR { 200} (( segid " " and resid 94 and name HB1 )) ( segid " " and resid 122 and name HG1%) ASSI { 201} (( segid " " and resid 35 and name HA2 )) ( segid " " and resid 83 and name HG1%) 3.300 1.300 1.300 peak 201 spectrum 1 weight 0.10000E+01 volume 0.54102E-02 ppm1 3.890 ppm2 -0.504 CV 1 OR { 201} (( segid " " and resid 35 and name HA1 )) ( segid " " and resid 83 and name HG1%) OR { 201} (( segid " " and resid 35 and name HA2 )) ( segid " " and resid 33 and name HD2%) ASSI { 204} (( segid " " and resid 83 and name HB )) ( segid " " and resid 83 and name HG1%) 2.100 0.600 0.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.13532E-01 ppm1 1.528 ppm2 -0.503 CV 1 OR { 204} (( segid " " and resid 120 and name HB )) ( segid " " and resid 33 and name HD2%) OR { 204} (( segid " " and resid 80 and name HB1 )) ( segid " " and resid 83 and name HG1%) OR { 204} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 83 and name HG1%) ASSI { 206} ( segid " " and resid 120 and name HG2%) ( segid " " and resid 33 and name HD2%) 2.100 0.500 0.500 peak 206 spectrum 1 weight 0.10000E+01 volume 0.13701E-01 ppm1 0.669 ppm2 -0.502 CV 1 OR { 206} ( segid " " and resid 83 and name HG2%) ( segid " " and resid 83 and name HG1%) ASSI { 208} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 33 and name HD1%) 2.200 2.200 3.800 peak 208 spectrum 1 weight 0.10000E+01 volume 0.27566E-02 ppm1 1.633 ppm2 0.233 CV 1 OR { 208} (( segid " " and resid 111 and name HD2 )) ( segid " " and resid 33 and name HD1%) ASSI { 212} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 39 and name HG2%) 3.900 1.900 1.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.13841E-02 ppm1 1.631 ppm2 0.309 CV 1 OR { 212} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 39 and name HG2%) ASSI { 216} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 32 and name HG2 )) 1.800 0.400 0.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.15858E-01 ppm1 2.046 ppm2 0.738 CV 1 OR { 216} (( segid " " and resid 122 and name HB )) ( segid " " and resid 122 and name HG2%) OR { 216} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 32 and name HG1 )) OR { 216} (( segid " " and resid 39 and name HB )) (( segid " " and resid 39 and name HG12)) OR { 216} (( segid " " and resid 39 and name HB )) (( segid " " and resid 39 and name HG11)) OR { 216} (( segid " " and resid 105 and name HB )) ( segid " " and resid 122 and name HG2%) OR { 216} (( segid " " and resid 39 and name HB )) (( segid " " and resid 60 and name HD1 )) OR { 216} (( segid " " and resid 39 and name HB )) (( segid " " and resid 60 and name HD2 )) ASSI { 217} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HG2%) 2.200 0.600 0.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.12579E-01 ppm1 2.021 ppm2 0.795 CV 1 OR { 217} (( segid " " and resid 39 and name HB )) (( segid " " and resid 39 and name HG11)) OR { 217} (( segid " " and resid 39 and name HB )) (( segid " " and resid 60 and name HD1 )) ASSI { 219} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HD1%) 2.500 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.18989E-01 ppm1 1.834 ppm2 0.906 CV 1 OR { 219} (( segid " " and resid 104 and name HB1 )) ( segid " " and resid 125 and name HG1%) OR { 219} (( segid " " and resid 104 and name HB1 )) ( segid " " and resid 105 and name HG1%) OR { 219} (( segid " " and resid 123 and name HB1 )) ( segid " " and resid 105 and name HG1%) ASSI { 221} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 39 and name HG11)) 3.500 1.500 1.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.10114E-01 ppm1 1.617 ppm2 0.776 CV 1 OR { 221} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 31 and name HG2%) OR { 221} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 40 and name HD1%) OR { 221} (( segid " " and resid 106 and name HD2 )) ( segid " " and resid 125 and name HG2%) OR { 221} (( segid " " and resid 123 and name HD1 )) ( segid " " and resid 125 and name HG2%) OR { 221} (( segid " " and resid 123 and name HD2 )) ( segid " " and resid 125 and name HG2%) OR { 221} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 60 and name HD1 )) ASSI { 222} (( segid " " and resid 104 and name HB1 )) ( segid " " and resid 125 and name HG2%) 3.300 1.400 1.400 peak 222 spectrum 1 weight 0.10000E+01 volume 0.75398E-02 ppm1 1.796 ppm2 0.795 CV 1 OR { 222} (( segid " " and resid 104 and name HB1 )) ( segid " " and resid 105 and name HG2%) OR { 222} (( segid " " and resid 106 and name HB1 )) ( segid " " and resid 125 and name HG2%) OR { 222} (( segid " " and resid 123 and name HB1 )) ( segid " " and resid 125 and name HG2%) ASSI { 223} (( segid " " and resid 31 and name HB )) (( segid " " and resid 31 and name HG11)) 1.700 0.400 0.500 peak 223 spectrum 1 weight 0.10000E+01 volume 0.14766E-01 ppm1 1.401 ppm2 0.528 CV 1 OR { 223} (( segid " " and resid 31 and name HB )) (( segid " " and resid 31 and name HG12)) OR { 223} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 31 and name HG12)) OR { 223} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 31 and name HG11)) ASSI { 225} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HG1 )) 1.900 0.500 0.500 peak 225 spectrum 1 weight 0.10000E+01 volume 0.22090E-01 ppm1 1.869 ppm2 1.333 CV 1 OR { 225} (( segid " " and resid 123 and name HG1 )) (( segid " " and resid 124 and name HB1 )) OR { 225} (( segid " " and resid 123 and name HG2 )) (( segid " " and resid 124 and name HB1 )) OR { 225} (( segid " " and resid 123 and name HG2 )) (( segid " " and resid 124 and name HB2 )) OR { 225} (( segid " " and resid 123 and name HG1 )) (( segid " " and resid 124 and name HB2 )) ASSI { 227} (( segid " " and resid 49 and name HG11)) ( segid " " and resid 49 and name HD1%) 2.600 0.800 0.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.86742E-02 ppm1 1.475 ppm2 0.941 CV 1 OR { 227} ( segid " " and resid 112 and name HB% ) ( segid " " and resid 113 and name HD2%) OR { 227} ( segid " " and resid 112 and name HB% ) ( segid " " and resid 113 and name HD1%) ASSI { 228} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 105 and name HG1%) 3.900 1.900 1.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.95195E-02 ppm1 1.430 ppm2 0.879 CV 1 OR { 228} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 125 and name HG1%) ASSI { 229} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HG11)) 2.400 0.700 0.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.50579E-02 ppm1 1.854 ppm2 1.212 CV 1 OR { 229} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HG2 )) OR { 229} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HG12)) ASSI { 233} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HB2 )) 1.100 0.200 1.100 peak 233 spectrum 1 weight 0.10000E+01 volume 0.77534E-01 ppm1 2.860 ppm2 2.681 CV 1 OR { 233} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HB2 )) ASSI { 242} (( segid " " and resid 32 and name HA )) (( segid " " and resid 119 and name HA )) 1.900 0.400 0.400 peak 242 spectrum 1 weight 0.10000E+01 volume 0.19796E-02 ppm1 4.082 ppm2 5.148 CV 1 OR { 242} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 110 and name HA )) OR { 242} (( segid " " and resid 32 and name HA )) (( segid " " and resid 110 and name HA )) OR { 242} (( segid " " and resid 79 and name HA )) (( segid " " and resid 110 and name HA )) OR { 242} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 110 and name HA )) OR { 242} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 110 and name HA )) OR { 242} (( segid " " and resid 113 and name HA )) (( segid " " and resid 119 and name HA )) ASSI { 247} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 79 and name HD% ) 1.900 0.500 0.500 peak 247 spectrum 1 weight 0.10000E+01 volume 0.17035E-01 ppm1 7.317 ppm2 6.955 CV 1 OR { 247} ( segid " " and resid 96 and name HD% ) ( segid " " and resid 94 and name HD% ) OR { 247} (( segid " " and resid 119 and name HZ2 )) (( segid " " and resid 119 and name HE3 )) ASSI { 254} ( segid " " and resid 42 and name HD% ) ( segid " " and resid 42 and name HE% ) 1.700 0.400 0.500 peak 254 spectrum 1 weight 0.10000E+01 volume 0.32091E-01 ppm1 6.962 ppm2 6.661 CV 1 OR { 254} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 119 and name HZ3 )) ASSI { 259} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 108 and name HA )) 2.700 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.31035E-02 ppm1 7.073 ppm2 5.748 CV 1 OR { 259} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 91 and name HA )) OR { 259} (( segid " " and resid 108 and name HD1 )) (( segid " " and resid 108 and name HA )) ASSI { 7} (( segid " " and resid 119 and name HE1 )) ( segid " " and resid 112 and name HB% ) 1.900 0.400 0.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.37653E-02 ppm1 10.370 ppm2 1.476 CV 1 OR { 7} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 110 and name HG2 )) ASSI { 17} (( segid " " and resid 40 and name HN )) (( segid " " and resid 32 and name HG1 )) 3.200 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.51521E-02 ppm1 9.581 ppm2 0.740 CV 1 OR { 17} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD2%) OR { 17} (( segid " " and resid 40 and name HN )) (( segid " " and resid 32 and name HG2 )) ASSI { 48} (( segid " " and resid 109 and name HN )) ( segid " " and resid 90 and name HG2%) 4.500 2.500 1.500 peak 48 spectrum 1 weight 0.10000E+01 volume 0.32224E-03 ppm1 9.402 ppm2 1.238 CV 1 OR { 48} (( segid " " and resid 109 and name HN )) (( segid " " and resid 33 and name HG )) ASSI { 52} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HA )) 3.000 1.100 1.100 peak 52 spectrum 1 weight 0.10000E+01 volume 0.12180E-02 ppm1 9.396 ppm2 4.455 CV 1 OR { 52} (( segid " " and resid 119 and name HN )) (( segid " " and resid 112 and name HA )) ASSI { 54} (( segid " " and resid 119 and name HN )) (( segid " " and resid 112 and name HN )) 2.900 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.90226E-03 ppm1 9.394 ppm2 8.389 CV 1 OR { 54} (( segid " " and resid 119 and name HN )) (( segid " " and resid 111 and name HN )) OR { 54} (( segid " " and resid 119 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 70} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB )) 3.000 1.100 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.14727E-02 ppm1 9.293 ppm2 1.413 CV 1 OR { 70} (( segid " " and resid 31 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 75} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB1 )) 3.600 1.600 1.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.23848E-02 ppm1 9.260 ppm2 1.779 CV 1 OR { 75} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HB2 )) OR { 75} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HB1 )) ASSI { 104} (( segid " " and resid 90 and name HN )) (( segid " " and resid 108 and name HA )) 4.400 2.400 1.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.72048E-03 ppm1 9.142 ppm2 5.776 CV 1 OR { 104} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HA )) ASSI { 111} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HD1 )) 4.400 2.400 1.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.22006E-02 ppm1 9.126 ppm2 1.653 CV 1 OR { 111} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HD2 )) OR { 111} (( segid " " and resid 106 and name HN )) (( segid " " and resid 123 and name HD1 )) OR { 111} (( segid " " and resid 106 and name HN )) (( segid " " and resid 123 and name HD2 )) ASSI { 117} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB1 )) 2.600 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.35147E-02 ppm1 9.126 ppm2 1.808 CV 1 OR { 117} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB2 )) OR { 117} (( segid " " and resid 106 and name HN )) (( segid " " and resid 123 and name HB1 )) ASSI { 118} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HG1 )) 4.700 2.800 1.300 peak 118 spectrum 1 weight 0.10000E+01 volume 0.39634E-03 ppm1 9.124 ppm2 1.381 CV 1 OR { 118} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HG2 )) OR { 118} (( segid " " and resid 106 and name HN )) (( segid " " and resid 124 and name HG2 )) OR { 118} (( segid " " and resid 106 and name HN )) (( segid " " and resid 124 and name HG1 )) ASSI { 132} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB1 )) 3.800 1.800 1.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.12755E-02 ppm1 9.039 ppm2 1.808 CV 1 OR { 132} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB2 )) OR { 132} (( segid " " and resid 107 and name HN )) (( segid " " and resid 91 and name HB2 )) ASSI { 135} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HD2 )) 5.600 3.900 0.400 peak 135 spectrum 1 weight 0.10000E+01 volume 0.10064E-02 ppm1 9.035 ppm2 1.656 CV 1 OR { 135} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HD1 )) OR { 135} (( segid " " and resid 107 and name HN )) (( segid " " and resid 123 and name HD2 )) ASSI { 146} (( segid " " and resid 59 and name HN )) (( segid " " and resid 39 and name HG12)) 5.400 3.600 0.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.18211E-03 ppm1 9.025 ppm2 0.748 CV 1 OR { 146} (( segid " " and resid 59 and name HN )) (( segid " " and resid 39 and name HG11)) OR { 146} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HD1 )) ASSI { 172} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB )) 3.200 1.300 1.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.11226E-02 ppm1 8.919 ppm2 2.091 CV 1 OR { 172} (( segid " " and resid 123 and name HN )) (( segid " " and resid 105 and name HB )) ASSI { 184} (( segid " " and resid 118 and name HN )) (( segid " " and resid 32 and name HB2 )) 6.000 6.000 0.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.60907E-05 ppm1 8.837 ppm2 1.494 CV 1 OR { 184} (( segid " " and resid 118 and name HN )) (( segid " " and resid 32 and name HB1 )) OR { 184} (( segid " " and resid 118 and name HN )) (( segid " " and resid 110 and name HG2 )) OR { 184} (( segid " " and resid 118 and name HN )) (( segid " " and resid 110 and name HG1 )) ASSI { 203} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG11)) 2.200 0.600 0.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.64731E-02 ppm1 8.758 ppm2 0.749 CV 1 OR { 203} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG12)) OR { 203} (( segid " " and resid 39 and name HN )) (( segid " " and resid 60 and name HD1 )) ASSI { 213} (( segid " " and resid 37 and name HN )) ( segid " " and resid 79 and name HE% ) 4.700 2.700 1.300 peak 213 spectrum 1 weight 0.10000E+01 volume 0.98847E-03 ppm1 8.682 ppm2 7.347 CV 1 OR { 213} (( segid " " and resid 37 and name HN )) (( segid " " and resid 117 and name HN )) ASSI { 234} (( segid " " and resid 39 and name HN )) (( segid " " and resid 61 and name HB1 )) 6.000 6.000 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.16193E-03 ppm1 8.758 ppm2 2.755 CV 1 OR { 234} (( segid " " and resid 39 and name HN )) (( segid " " and resid 34 and name HB1 )) ASSI { 257} (( segid " " and resid 30 and name HN )) ( segid " " and resid 42 and name HE% ) 5.200 3.400 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.26228E-03 ppm1 8.543 ppm2 6.656 CV 1 OR { 257} (( segid " " and resid 30 and name HN )) (( segid " " and resid 119 and name HZ3 )) ASSI { 299} (( segid " " and resid 32 and name HN )) (( segid " " and resid 119 and name HZ3 )) 6.000 6.000 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.60948E-05 ppm1 8.399 ppm2 6.664 CV 1 OR { 299} (( segid " " and resid 32 and name HN )) ( segid " " and resid 42 and name HE% ) ASSI { 312} (( segid " " and resid 112 and name HN )) (( segid " " and resid 119 and name HD1 )) 2.500 0.800 0.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.11136E-02 ppm1 8.394 ppm2 6.831 CV 1 OR { 312} (( segid " " and resid 112 and name HN )) ( segid " " and resid 118 and name HD% ) ASSI { 315} (( segid " " and resid 112 and name HN )) (( segid " " and resid 119 and name HN )) 4.600 2.700 1.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.76123E-04 ppm1 8.392 ppm2 9.390 CV 1 OR { 315} (( segid " " and resid 112 and name HN )) (( segid " " and resid 120 and name HN )) ASSI { 317} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB2 )) 3.300 1.400 1.400 peak 317 spectrum 1 weight 0.10000E+01 volume 0.31599E-02 ppm1 8.393 ppm2 1.884 CV 1 OR { 317} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB1 )) OR { 317} (( segid " " and resid 112 and name HN )) (( segid " " and resid 88 and name HB1 )) OR { 317} (( segid " " and resid 112 and name HN )) (( segid " " and resid 88 and name HB2 )) ASSI { 500} (( segid " " and resid 60 and name HN )) (( segid " " and resid 39 and name HG11)) 3.200 1.300 1.300 peak 500 spectrum 1 weight 0.10000E+01 volume 0.19614E-02 ppm1 7.721 ppm2 0.744 CV 1 OR { 500} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HD1 )) OR { 500} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HD2 )) ASSI { 544} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) 1.900 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.67159E-02 ppm1 7.443 ppm2 1.432 CV 1 OR { 544} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) OR { 544} (( segid " " and resid 41 and name HN )) (( segid " " and resid 31 and name HB )) ASSI { 547} (( segid " " and resid 41 and name HN )) (( segid " " and resid 32 and name HG1 )) 1.800 0.400 0.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.60093E-02 ppm1 7.443 ppm2 0.741 CV 1 OR { 547} (( segid " " and resid 41 and name HN )) (( segid " " and resid 32 and name HG2 )) OR { 547} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HG12)) ASSI { 624} (( segid " " and resid 90 and name HN )) (( segid " " and resid 109 and name HB2 )) 4.200 2.200 1.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.30312E-03 ppm1 9.140 ppm2 2.248 CV 1 OR { 624} (( segid " " and resid 90 and name HN )) (( segid " " and resid 109 and name HB1 )) OR { 624} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HG1 )) OR { 624} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HG2 )) ASSI { 673} (( segid " " and resid 36 and name HN )) ( segid " " and resid 79 and name HE% ) 6.000 5.500 0.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.41245E-03 ppm1 8.051 ppm2 7.341 CV 1 OR { 673} (( segid " " and resid 36 and name HN )) (( segid " " and resid 117 and name HN )) OR { 673} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HD22)) ASSI { 696} (( segid " " and resid 43 and name HN )) ( segid " " and resid 42 and name HD% ) 4.000 2.000 2.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.48379E-03 ppm1 9.105 ppm2 6.991 CV 1 OR { 696} (( segid " " and resid 43 and name HN )) ( segid " " and resid 121 and name HE% ) ASSI { 700} (( segid " " and resid 43 and name HN )) ( segid " " and resid 30 and name HB% ) 5.700 4.100 0.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.28387E-03 ppm1 9.099 ppm2 1.557 CV 1 OR { 700} (( segid " " and resid 43 and name HN )) (( segid " " and resid 120 and name HB )) ASSI { 813} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB1 )) 3.200 1.300 1.300 peak 813 spectrum 1 weight 0.10000E+01 volume 0.16951E-02 ppm1 8.917 ppm2 1.807 CV 1 OR { 813} (( segid " " and resid 123 and name HN )) (( segid " " and resid 106 and name HB1 )) OR { 813} (( segid " " and resid 123 and name HN )) (( segid " " and resid 106 and name HB2 )) ASSI { 817} (( segid " " and resid 30 and name HN )) (( segid " " and resid 44 and name HA )) 6.000 5.500 0.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.11712E-03 ppm1 8.545 ppm2 4.360 CV 1 OR { 817} (( segid " " and resid 30 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 887} (( segid " " and resid 33 and name HN )) (( segid " " and resid 119 and name HE3 )) 5.900 4.300 0.100 peak 887 spectrum 1 weight 0.10000E+01 volume 0.34515E-03 ppm1 9.456 ppm2 6.909 CV 1 OR { 887} (( segid " " and resid 33 and name HN )) (( segid " " and resid 79 and name HZ )) ASSI { 903} (( segid " " and resid 31 and name HN )) ( segid " " and resid 122 and name HG2%) 6.000 6.000 0.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.19821E-03 ppm1 9.295 ppm2 0.722 CV 1 OR { 903} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HG1 )) OR { 903} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HG2 )) OR { 903} (( segid " " and resid 31 and name HN )) ( segid " " and resid 107 and name HG1%) ASSI { 904} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 5.500 3.800 0.500 peak 904 spectrum 1 weight 0.10000E+01 volume 0.54319E-03 ppm1 9.245 ppm2 6.950 CV 1 OR { 904} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HZ )) ASSI { 916} (( segid " " and resid 89 and name HN )) (( segid " " and resid 111 and name HN )) 5.800 4.200 0.200 peak 916 spectrum 1 weight 0.10000E+01 volume 0.15446E-03 ppm1 8.932 ppm2 8.404 CV 1 OR { 916} (( segid " " and resid 89 and name HN )) (( segid " " and resid 112 and name HN )) ASSI { 935} (( segid " " and resid 104 and name HN )) ( segid " " and resid 125 and name HG2%) 6.000 6.000 0.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.14606E-03 ppm1 8.918 ppm2 0.807 CV 1 OR { 935} (( segid " " and resid 104 and name HN )) ( segid " " and resid 105 and name HG2%) ASSI { 939} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HG2 )) 4.000 2.000 2.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.11766E-02 ppm1 9.035 ppm2 1.374 CV 1 OR { 939} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HG1 )) OR { 939} (( segid " " and resid 107 and name HN )) (( segid " " and resid 124 and name HB1 )) ASSI { 942} (( segid " " and resid 94 and name HN )) (( segid " " and resid 104 and name HG2 )) 6.000 5.100 0.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.12057E-03 ppm1 9.088 ppm2 1.386 CV 1 OR { 942} (( segid " " and resid 94 and name HN )) (( segid " " and resid 124 and name HG2 )) OR { 942} (( segid " " and resid 94 and name HN )) (( segid " " and resid 124 and name HG1 )) ASSI { 954} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HG12)) 6.000 5.400 0.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.28307E-03 ppm1 8.980 ppm2 0.730 CV 1 OR { 954} (( segid " " and resid 38 and name HN )) (( segid " " and resid 60 and name HD2 )) OR { 954} (( segid " " and resid 38 and name HN )) ( segid " " and resid 40 and name HD2%) ASSI { 961} (( segid " " and resid 118 and name HN )) (( segid " " and resid 112 and name HN )) 6.000 5.500 0.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.33701E-04 ppm1 8.834 ppm2 8.381 CV 1 OR { 961} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HN )) ASSI { 983} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 4.500 2.500 1.500 peak 983 spectrum 1 weight 0.10000E+01 volume 0.46924E-03 ppm1 8.399 ppm2 9.441 CV 1 OR { 983} (( segid " " and resid 32 and name HN )) (( segid " " and resid 121 and name HN )) ASSI { 986} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HN )) 6.000 5.700 0.000 peak 986 spectrum 1 weight 0.10000E+01 volume 0.79439E-04 ppm1 8.400 ppm2 8.802 CV 1 OR { 986} (( segid " " and resid 112 and name HN )) (( segid " " and resid 35 and name HN )) ASSI { 992} (( segid " " and resid 87 and name HN )) (( segid " " and resid 82 and name HA2 )) 5.600 3.900 0.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.14051E-03 ppm1 8.132 ppm2 3.593 CV 1 OR { 992} (( segid " " and resid 87 and name HN )) (( segid " " and resid 117 and name HB2 )) ASSI { 999} (( segid " " and resid 111 and name HN )) ( segid " " and resid 118 and name HD% ) 3.900 1.900 1.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.35935E-03 ppm1 8.391 ppm2 6.826 CV 1 OR { 999} (( segid " " and resid 111 and name HN )) (( segid " " and resid 119 and name HD1 ))
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