NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type | subtype | subsubtype |
4747 | 1fo7 | 4641 | cing | recoord | dress | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 11} (( segid " " and resid 191 and name HB )) (( segid " " and resid 196 and name HB2 )) 2.300 2.300 3.700 peak 11 weight 0.10000E+01 volume 0.61248E-02 ppm1 4.137 ppm2 1.604 CV 1 OR { 11} (( segid " " and resid 191 and name HB )) (( segid " " and resid 196 and name HB1 )) ASSI { 27} (( segid " " and resid 188 and name HB )) (( segid " " and resid 188 and name HA )) 2.200 0.600 0.800 peak 27 weight 0.10000E+01 volume 0.75365E-02 ppm1 4.466 ppm2 4.119 CV 1 ASSI { 38} (( segid " " and resid 188 and name HB )) ( segid " " and resid 198 and name HD% ) 2.900 2.900 3.100 peak 38 weight 0.10000E+01 volume 0.77320E-03 ppm1 4.468 ppm2 7.366 CV 1 ASSI { 2565} (( segid " " and resid 188 and name HB )) ( segid " " and resid 188 and name HG2%) 1.900 0.400 0.600 peak 2565 weight 0.10000E+01 volume 0.19677E-01 ppm1 4.465 ppm2 1.263 CV 1 ASSI { 22} (( segid " " and resid 188 and name HB )) ( segid " " and resid 189 and name HG1%) 2.800 2.800 3.200 peak 22 weight 0.10000E+01 volume 0.18396E-02 ppm1 4.466 ppm2 1.041 CV 1 ASSI { 31} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HB )) 2.800 1.000 1.200 peak 31 weight 0.10000E+01 volume 0.20286E-02 ppm1 4.090 ppm2 4.503 CV 1 ASSI { 35} (( segid " " and resid 183 and name HA )) (( segid " " and resid 187 and name HD2 )) 2.500 0.800 1.000 peak 35 weight 0.10000E+01 volume 0.18287E-02 ppm1 4.090 ppm2 7.006 CV 1 ASSI { 57} (( segid " " and resid 183 and name HB )) (( segid " " and resid 180 and name HA )) 2.700 0.900 1.100 peak 57 weight 0.10000E+01 volume 0.21393E-02 ppm1 4.499 ppm2 3.678 CV 1 ASSI { 68} (( segid " " and resid 203 and name HA )) (( segid " " and resid 184 and name HG11)) 3.200 3.200 2.800 peak 68 weight 0.10000E+01 volume 0.84270E-03 ppm1 3.317 ppm2 1.135 CV 1 ASSI { 69} (( segid " " and resid 203 and name HA )) ( segid " " and resid 188 and name HG2%) 3.200 1.300 1.500 peak 69 weight 0.10000E+01 volume 0.82749E-03 ppm1 3.317 ppm2 1.248 CV 1 ASSI { 80} (( segid " " and resid 176 and name HA )) ( segid " " and resid 175 and name HD% ) 2.700 0.900 1.100 peak 80 weight 0.10000E+01 volume 0.11554E-02 ppm1 3.537 ppm2 7.318 CV 1 ASSI { 74} (( segid " " and resid 203 and name HA )) (( segid " " and resid 203 and name HB )) 2.600 0.800 1.000 peak 74 weight 0.10000E+01 volume 0.32144E-02 ppm1 3.318 ppm2 2.073 CV 1 ASSI { 78} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HA )) 3.400 1.400 1.600 peak 78 weight 0.10000E+01 volume 0.62333E-03 ppm1 3.317 ppm2 3.568 CV 1 ASSI { 86} (( segid " " and resid 216 and name HA )) (( segid " " and resid 216 and name HB )) 2.600 0.800 1.000 peak 86 weight 0.10000E+01 volume 0.32578E-02 ppm1 3.967 ppm2 4.336 CV 1 ASSI { 85} (( segid " " and resid 216 and name HA )) (( segid " " and resid 219 and name HG1 )) 3.000 1.100 1.300 peak 85 weight 0.10000E+01 volume 0.12575E-02 ppm1 3.971 ppm2 2.625 CV 1 ASSI { 89} (( segid " " and resid 215 and name HA )) ( segid " " and resid 176 and name HG1%) 2.500 0.800 1.000 peak 89 weight 0.10000E+01 volume 0.37791E-02 ppm1 3.588 ppm2 1.080 CV 1 ASSI { 92} (( segid " " and resid 215 and name HA )) (( segid " " and resid 176 and name HB )) 3.400 1.500 1.700 peak 92 weight 0.10000E+01 volume 0.55383E-03 ppm1 3.594 ppm2 2.250 CV 1 ASSI { 91} (( segid " " and resid 215 and name HA )) (( segid " " and resid 215 and name HG11)) 2.500 0.800 1.000 peak 91 weight 0.10000E+01 volume 0.34967E-02 ppm1 3.588 ppm2 2.013 CV 1 ASSI { 88} (( segid " " and resid 215 and name HA )) ( segid " " and resid 215 and name HG2%) 2.200 0.600 0.800 peak 88 weight 0.10000E+01 volume 0.74279E-02 ppm1 3.588 ppm2 0.885 CV 1 OR { 88} (( segid " " and resid 215 and name HA )) (( segid " " and resid 215 and name HG12)) ASSI { 90} (( segid " " and resid 201 and name HA )) ( segid " " and resid 201 and name HG2%) 2.000 0.500 0.700 peak 90 weight 0.10000E+01 volume 0.12706E-01 ppm1 3.817 ppm2 0.723 CV 1 ASSI { 103} (( segid " " and resid 180 and name HA )) ( segid " " and resid 210 and name HG1%) 2.000 0.500 0.700 peak 103 weight 0.10000E+01 volume 0.12640E-01 ppm1 3.677 ppm2 1.240 CV 1 ASSI { 138} (( segid " " and resid 188 and name HA )) ( segid " " and resid 198 and name HD% ) 2.300 0.600 0.800 peak 138 weight 0.10000E+01 volume 0.31927E-02 ppm1 4.139 ppm2 7.364 CV 1 ASSI { 130} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HB1 )) 1.800 0.400 0.600 peak 130 weight 0.10000E+01 volume 0.27366E-01 ppm1 4.134 ppm2 3.938 CV 1 ASSI { 139} (( segid " " and resid 188 and name HA )) ( segid " " and resid 198 and name HE% ) 2.700 2.700 3.300 peak 139 weight 0.10000E+01 volume 0.10382E-02 ppm1 4.137 ppm2 7.461 CV 1 ASSI { 136} (( segid " " and resid 188 and name HA )) ( segid " " and resid 188 and name HG2%) 2.100 0.500 0.700 peak 136 weight 0.10000E+01 volume 0.11446E-01 ppm1 4.139 ppm2 1.265 CV 1 ASSI { 140} (( segid " " and resid 188 and name HA )) (( segid " " and resid 187 and name HA )) 3.100 3.100 2.900 peak 140 weight 0.10000E+01 volume 0.10403E-02 ppm1 4.139 ppm2 4.624 CV 1 ASSI { 119} (( segid " " and resid 209 and name HA )) (( segid " " and resid 209 and name HB )) 2.400 0.700 0.900 peak 119 weight 0.10000E+01 volume 0.45393E-02 ppm1 3.845 ppm2 2.349 CV 1 ASSI { 121} (( segid " " and resid 209 and name HA )) ( segid " " and resid 209 and name HG2%) 2.200 0.600 0.800 peak 121 weight 0.10000E+01 volume 0.82967E-02 ppm1 3.845 ppm2 1.318 CV 1 OR { 121} (( segid " " and resid 209 and name HA )) ( segid " " and resid 209 and name HG1%) ASSI { 124} (( segid " " and resid 209 and name HA )) ( segid " " and resid 139 and name HG2%) 3.300 1.400 1.600 peak 124 weight 0.10000E+01 volume 0.68415E-03 ppm1 3.845 ppm2 -0.026 CV 1 ASSI { 142} (( segid " " and resid 192 and name HA )) ( segid " " and resid 192 and name HG2%) 1.900 0.500 0.700 peak 142 weight 0.10000E+01 volume 0.17419E-01 ppm1 4.383 ppm2 1.323 CV 1 ASSI { 141} (( segid " " and resid 192 and name HA )) ( segid " " and resid 191 and name HG2%) 3.000 1.100 1.300 peak 141 weight 0.10000E+01 volume 0.11902E-02 ppm1 4.383 ppm2 0.984 CV 1 ASSI { 149} (( segid " " and resid 190 and name HA )) (( segid " " and resid 189 and name HB )) 3.400 1.400 1.600 peak 149 weight 0.10000E+01 volume 0.59944E-03 ppm1 4.193 ppm2 2.237 CV 1 ASSI { 143} (( segid " " and resid 190 and name HA )) ( segid " " and resid 190 and name HG2%) 1.900 1.900 4.100 peak 143 weight 0.10000E+01 volume 0.20177E-01 ppm1 4.190 ppm2 1.301 CV 1 ASSI { 144} (( segid " " and resid 191 and name HA )) ( segid " " and resid 191 and name HG2%) 1.900 0.500 0.700 peak 144 weight 0.10000E+01 volume 0.18939E-01 ppm1 4.152 ppm2 0.985 CV 1 ASSI { 146} (( segid " " and resid 191 and name HA )) (( segid " " and resid 194 and name HD2 )) 2.600 2.600 3.400 peak 146 weight 0.10000E+01 volume 0.28235E-02 ppm1 4.152 ppm2 1.663 CV 1 OR { 146} (( segid " " and resid 191 and name HA )) (( segid " " and resid 194 and name HD1 )) ASSI { 145} (( segid " " and resid 191 and name HA )) (( segid " " and resid 194 and name HG1 )) 2.700 0.900 1.100 peak 145 weight 0.10000E+01 volume 0.24759E-02 ppm1 4.152 ppm2 1.533 CV 1 ASSI { 150} (( segid " " and resid 191 and name HA )) (( segid " " and resid 194 and name HE1 )) 3.100 1.200 1.400 peak 150 weight 0.10000E+01 volume 0.11099E-02 ppm1 4.152 ppm2 2.977 CV 1 OR { 150} (( segid " " and resid 191 and name HA )) (( segid " " and resid 194 and name HE2 )) ASSI { 151} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 130 and name HB1 )) 3.100 3.100 2.900 peak 151 weight 0.10000E+01 volume 0.10099E-02 ppm1 3.982 ppm2 1.617 CV 1 ASSI { 157} (( segid " " and resid 193 and name HA )) ( segid " " and resid 193 and name HG2%) 1.900 0.400 0.600 peak 157 weight 0.10000E+01 volume 0.22588E-01 ppm1 4.232 ppm2 1.300 CV 1 ASSI { 163} (( segid " " and resid 230 and name HB2 )) (( segid " " and resid 230 and name HA )) 2.200 0.600 0.800 peak 163 weight 0.10000E+01 volume 0.73845E-02 ppm1 3.890 ppm2 4.499 CV 1 OR { 163} (( segid " " and resid 230 and name HB1 )) (( segid " " and resid 230 and name HA )) ASSI { 160} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 132 and name HA )) 2.000 0.500 0.700 peak 160 weight 0.10000E+01 volume 0.15356E-01 ppm1 3.977 ppm2 4.430 CV 1 ASSI { 164} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HA )) 2.000 2.000 4.000 peak 164 weight 0.10000E+01 volume 0.14964E-01 ppm1 3.915 ppm2 4.426 CV 1 ASSI { 178} (( segid " " and resid 158 and name HA )) ( segid " " and resid 191 and name HG2%) 3.300 1.400 1.600 peak 178 weight 0.10000E+01 volume 0.69501E-03 ppm1 4.371 ppm2 0.962 CV 1 ASSI { 186} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HA )) 2.000 0.500 0.700 peak 186 weight 0.10000E+01 volume 0.14270E-01 ppm1 3.752 ppm2 4.362 CV 1 ASSI { 203} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB1 )) 2.000 0.500 0.700 peak 203 weight 0.10000E+01 volume 0.16354E-01 ppm1 4.426 ppm2 2.299 CV 1 ASSI { 201} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HB )) 2.300 2.300 3.700 peak 201 weight 0.10000E+01 volume 0.61899E-02 ppm1 4.435 ppm2 1.905 CV 1 ASSI { 200} (( segid " " and resid 150 and name HA )) ( segid " " and resid 205 and name HE% ) 3.200 1.200 1.400 peak 200 weight 0.10000E+01 volume 0.92306E-03 ppm1 4.129 ppm2 1.483 CV 1 ASSI { 190} (( segid " " and resid 150 and name HA )) ( segid " " and resid 149 and name HD% ) 2.500 0.800 1.000 peak 190 weight 0.10000E+01 volume 0.17527E-02 ppm1 4.133 ppm2 6.920 CV 1 ASSI { 197} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB1 )) 2.600 0.800 1.000 peak 197 weight 0.10000E+01 volume 0.29321E-02 ppm1 4.133 ppm2 3.578 CV 1 ASSI { 189} (( segid " " and resid 150 and name HA )) ( segid " " and resid 150 and name HE% ) 2.600 2.600 3.400 peak 189 weight 0.10000E+01 volume 0.14422E-02 ppm1 4.134 ppm2 7.008 CV 1 ASSI { 232} (( segid " " and resid 222 and name HB1 )) (( segid " " and resid 219 and name HA )) 2.400 0.700 0.900 peak 232 weight 0.10000E+01 volume 0.46913E-02 ppm1 3.633 ppm2 3.751 CV 1 ASSI { 229} (( segid " " and resid 222 and name HB2 )) (( segid " " and resid 222 and name HB1 )) 2.000 0.500 0.700 peak 229 weight 0.10000E+01 volume 0.13596E-01 ppm1 3.417 ppm2 3.633 CV 1 ASSI { 215} (( segid " " and resid 222 and name HB1 )) (( segid " " and resid 219 and name HG2 )) 3.300 1.400 1.600 peak 215 weight 0.10000E+01 volume 0.70587E-03 ppm1 3.637 ppm2 2.373 CV 1 OR { 215} (( segid " " and resid 222 and name HB1 )) (( segid " " and resid 219 and name HB1 )) ASSI { 231} (( segid " " and resid 222 and name HB1 )) (( segid " " and resid 222 and name HA )) 2.300 0.700 0.900 peak 231 weight 0.10000E+01 volume 0.58858E-02 ppm1 3.634 ppm2 3.922 CV 1 ASSI { 243} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HG11)) 3.300 3.300 2.700 peak 243 weight 0.10000E+01 volume 0.76017E-03 ppm1 4.441 ppm2 1.604 CV 1 ASSI { 244} (( segid " " and resid 137 and name HA )) ( segid " " and resid 209 and name HG1%) 3.200 3.200 2.800 peak 244 weight 0.10000E+01 volume 0.79492E-03 ppm1 4.441 ppm2 1.350 CV 1 ASSI { 219} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HG12)) 2.400 0.700 0.900 peak 219 weight 0.10000E+01 volume 0.42135E-02 ppm1 3.776 ppm2 0.893 CV 1 ASSI { 218} (( segid " " and resid 182 and name HA )) ( segid " " and resid 182 and name HD1%) 2.300 0.600 0.800 peak 218 weight 0.10000E+01 volume 0.69284E-02 ppm1 3.776 ppm2 0.429 CV 1 ASSI { 248} (( segid " " and resid 175 and name HA )) (( segid " " and resid 175 and name HB1 )) 2.900 1.100 1.300 peak 248 weight 0.10000E+01 volume 0.13944E-02 ppm1 2.994 ppm2 3.109 CV 1 ASSI { 252} (( segid " " and resid 175 and name HA )) ( segid " " and resid 218 and name HD% ) 3.200 3.200 2.800 peak 252 weight 0.10000E+01 volume 0.37791E-03 ppm1 2.989 ppm2 6.210 CV 1 ASSI { 274} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HG1 )) 3.100 3.100 2.900 peak 274 weight 0.10000E+01 volume 0.94478E-03 ppm1 4.212 ppm2 1.767 CV 1 ASSI { 270} (( segid " " and resid 145 and name HA )) (( segid " " and resid 144 and name HA )) 3.300 3.300 2.700 peak 270 weight 0.10000E+01 volume 0.74713E-03 ppm1 4.218 ppm2 4.506 CV 1 ASSI { 272} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB2 )) 2.300 0.700 0.900 peak 272 weight 0.10000E+01 volume 0.61030E-02 ppm1 4.215 ppm2 2.858 CV 1 ASSI { 268} (( segid " " and resid 145 and name HA )) ( segid " " and resid 145 and name HD% ) 2.500 0.800 1.000 peak 268 weight 0.10000E+01 volume 0.17006E-02 ppm1 4.211 ppm2 7.067 CV 1 ASSI { 259} (( segid " " and resid 222 and name HA )) (( segid " " and resid 222 and name HB2 )) 2.400 0.700 0.900 peak 259 weight 0.10000E+01 volume 0.52777E-02 ppm1 3.926 ppm2 3.421 CV 1 ASSI { 257} (( segid " " and resid 222 and name HA )) ( segid " " and resid 225 and name HD% ) 2.900 1.100 1.300 peak 257 weight 0.10000E+01 volume 0.66677E-03 ppm1 3.924 ppm2 6.706 CV 1 ASSI { 255} (( segid " " and resid 211 and name HA )) ( segid " " and resid 210 and name HG1%) 3.100 1.200 1.400 peak 255 weight 0.10000E+01 volume 0.10664E-02 ppm1 3.621 ppm2 1.231 CV 1 ASSI { 254} (( segid " " and resid 211 and name HA )) ( segid " " and resid 180 and name HG1%) 2.200 2.200 3.800 peak 254 weight 0.10000E+01 volume 0.78406E-02 ppm1 3.611 ppm2 1.088 CV 1 ASSI { 256} (( segid " " and resid 211 and name HA )) (( segid " " and resid 211 and name HB2 )) 2.200 0.600 0.800 peak 256 weight 0.10000E+01 volume 0.72107E-02 ppm1 3.612 ppm2 2.145 CV 1 ASSI { 279} (( segid " " and resid 207 and name HA )) ( segid " " and resid 180 and name HG1%) 2.800 1.000 1.200 peak 279 weight 0.10000E+01 volume 0.20394E-02 ppm1 3.669 ppm2 1.104 CV 1 ASSI { 286} (( segid " " and resid 138 and name HA )) ( segid " " and resid 150 and name HE% ) 2.200 0.600 0.800 peak 286 weight 0.10000E+01 volume 0.41700E-02 ppm1 4.158 ppm2 7.034 CV 1 ASSI { 291} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HG11)) 2.800 2.800 3.200 peak 291 weight 0.10000E+01 volume 0.20069E-02 ppm1 4.158 ppm2 1.599 CV 1 ASSI { 280} (( segid " " and resid 207 and name HA )) ( segid " " and resid 210 and name HG1%) 3.000 1.200 1.400 peak 280 weight 0.10000E+01 volume 0.11641E-02 ppm1 3.675 ppm2 1.242 CV 1 ASSI { 285} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HG1 )) 2.600 0.800 1.000 peak 285 weight 0.10000E+01 volume 0.29538E-02 ppm1 3.677 ppm2 2.533 CV 1 ASSI { 284} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HB1 )) 2.300 0.700 0.900 peak 284 weight 0.10000E+01 volume 0.56469E-02 ppm1 3.679 ppm2 2.232 CV 1 ASSI { 283} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HG2 )) 2.300 0.700 0.900 peak 283 weight 0.10000E+01 volume 0.55383E-02 ppm1 3.678 ppm2 2.142 CV 1 ASSI { 282} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HB2 )) 2.300 0.700 0.900 peak 282 weight 0.10000E+01 volume 0.55601E-02 ppm1 3.679 ppm2 2.010 CV 1 ASSI { 281} (( segid " " and resid 207 and name HA )) (( segid " " and resid 184 and name HG12)) 3.100 1.200 1.400 peak 281 weight 0.10000E+01 volume 0.10751E-02 ppm1 3.676 ppm2 1.880 CV 1 ASSI { 309} (( segid " " and resid 207 and name HA )) (( segid " " and resid 206 and name HB2 )) 3.300 1.400 1.600 peak 309 weight 0.10000E+01 volume 0.68632E-03 ppm1 3.673 ppm2 1.625 CV 1 ASSI { 293} (( segid " " and resid 199 and name HA )) ( segid " " and resid 199 and name HG2%) 2.000 0.500 0.700 peak 293 weight 0.10000E+01 volume 0.16093E-01 ppm1 4.626 ppm2 1.450 CV 1 ASSI { 300} (( segid " " and resid 225 and name HA )) ( segid " " and resid 225 and name HD% ) 2.400 0.700 0.900 peak 300 weight 0.10000E+01 volume 0.21610E-02 ppm1 4.186 ppm2 6.716 CV 1 ASSI { 321} (( segid " " and resid 225 and name HA )) (( segid " " and resid 228 and name HD1 )) 3.000 1.100 1.300 peak 321 weight 0.10000E+01 volume 0.12206E-02 ppm1 4.181 ppm2 3.153 CV 1 OR { 321} (( segid " " and resid 225 and name HA )) (( segid " " and resid 228 and name HD2 )) ASSI { 319} (( segid " " and resid 225 and name HA )) (( segid " " and resid 225 and name HB2 )) 2.300 0.700 0.900 peak 319 weight 0.10000E+01 volume 0.56687E-02 ppm1 4.182 ppm2 2.844 CV 1 ASSI { 294} (( segid " " and resid 199 and name HA )) ( segid " " and resid 203 and name HG1%) 3.300 1.300 1.500 peak 294 weight 0.10000E+01 volume 0.75799E-03 ppm1 4.628 ppm2 0.991 CV 1 ASSI { 328} (( segid " " and resid 185 and name HA )) (( segid " " and resid 185 and name HG1 )) 2.500 0.800 1.000 peak 328 weight 0.10000E+01 volume 0.34750E-02 ppm1 4.062 ppm2 1.389 CV 1 ASSI { 313} (( segid " " and resid 185 and name HA )) (( segid " " and resid 181 and name HA )) 2.600 2.600 3.400 peak 313 weight 0.10000E+01 volume 0.28452E-02 ppm1 4.059 ppm2 4.326 CV 1 ASSI { 324} (( segid " " and resid 185 and name HA )) (( segid " " and resid 185 and name HE1 )) 3.300 1.400 1.600 peak 324 weight 0.10000E+01 volume 0.67546E-03 ppm1 4.060 ppm2 2.913 CV 1 OR { 324} (( segid " " and resid 185 and name HA )) (( segid " " and resid 185 and name HE2 )) ASSI { 331} (( segid " " and resid 200 and name HA )) ( segid " " and resid 203 and name HG2%) 2.500 0.800 1.000 peak 331 weight 0.10000E+01 volume 0.40832E-02 ppm1 4.060 ppm2 0.910 CV 1 ASSI { 323} (( segid " " and resid 205 and name HA )) (( segid " " and resid 205 and name HB1 )) 2.500 0.800 1.000 peak 323 weight 0.10000E+01 volume 0.35620E-02 ppm1 4.165 ppm2 2.320 CV 1 ASSI { 297} (( segid " " and resid 214 and name HA )) (( segid " " and resid 213 and name HB1 )) 2.800 2.800 3.200 peak 297 weight 0.10000E+01 volume 0.18917E-02 ppm1 4.423 ppm2 2.120 CV 1 ASSI { 308} (( segid " " and resid 146 and name HA )) ( segid " " and resid 205 and name HE% ) 2.500 0.800 1.000 peak 308 weight 0.10000E+01 volume 0.41483E-02 ppm1 3.589 ppm2 1.497 CV 1 ASSI { 330} (( segid " " and resid 200 and name HA )) ( segid " " and resid 203 and name HG1%) 2.400 0.700 0.900 peak 330 weight 0.10000E+01 volume 0.44958E-02 ppm1 4.058 ppm2 1.003 CV 1 ASSI { 304} (( segid " " and resid 146 and name HA )) ( segid " " and resid 149 and name HD% ) 2.800 1.000 1.200 peak 304 weight 0.10000E+01 volume 0.96650E-03 ppm1 3.586 ppm2 6.956 CV 1 ASSI { 355} (( segid " " and resid 214 and name HA )) ( segid " " and resid 176 and name HG1%) 3.200 1.300 1.500 peak 355 weight 0.10000E+01 volume 0.87528E-03 ppm1 4.426 ppm2 1.073 CV 1 ASSI { 336} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HB1 )) 2.200 0.600 0.800 peak 336 weight 0.10000E+01 volume 0.75148E-02 ppm1 3.586 ppm2 1.932 CV 1 OR { 336} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HG1 )) ASSI { 340} (( segid " " and resid 206 and name HA )) ( segid " " and resid 184 and name HD1%) 3.100 1.200 1.400 peak 340 weight 0.10000E+01 volume 0.10121E-02 ppm1 3.587 ppm2 0.767 CV 1 ASSI { 337} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HG2 )) 2.300 0.600 0.800 peak 337 weight 0.10000E+01 volume 0.67112E-02 ppm1 3.585 ppm2 1.626 CV 1 ASSI { 338} (( segid " " and resid 206 and name HA )) ( segid " " and resid 209 and name HG2%) 2.300 2.300 3.700 peak 338 weight 0.10000E+01 volume 0.69718E-02 ppm1 3.585 ppm2 1.309 CV 1 OR { 338} (( segid " " and resid 206 and name HA )) ( segid " " and resid 209 and name HG1%) ASSI { 339} (( segid " " and resid 206 and name HA )) ( segid " " and resid 210 and name HG2%) 2.800 0.900 1.100 peak 339 weight 0.10000E+01 volume 0.20872E-02 ppm1 3.584 ppm2 0.963 CV 1 ASSI { 347} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HD1 )) 3.200 3.200 2.800 peak 347 weight 0.10000E+01 volume 0.83835E-03 ppm1 4.027 ppm2 3.367 CV 1 ASSI { 343} (( segid " " and resid 219 and name HA )) (( segid " " and resid 223 and name HG1 )) 3.100 3.100 2.900 peak 343 weight 0.10000E+01 volume 0.10165E-02 ppm1 3.764 ppm2 2.491 CV 1 ASSI { 341} (( segid " " and resid 219 and name HA )) (( segid " " and resid 219 and name HB2 )) 2.300 0.700 0.900 peak 341 weight 0.10000E+01 volume 0.56035E-02 ppm1 3.761 ppm2 2.085 CV 1 ASSI { 342} (( segid " " and resid 219 and name HA )) (( segid " " and resid 219 and name HG2 )) 2.200 0.600 0.800 peak 342 weight 0.10000E+01 volume 0.86659E-02 ppm1 3.760 ppm2 2.375 CV 1 OR { 342} (( segid " " and resid 219 and name HA )) (( segid " " and resid 219 and name HB1 )) ASSI { 353} (( segid " " and resid 177 and name HA )) ( segid " " and resid 180 and name HG1%) 2.600 2.600 3.400 peak 353 weight 0.10000E+01 volume 0.31710E-02 ppm1 4.330 ppm2 1.081 CV 1 ASSI { 352} (( segid " " and resid 177 and name HA )) ( segid " " and resid 180 and name HG2%) 2.800 1.000 1.200 peak 352 weight 0.10000E+01 volume 0.20329E-02 ppm1 4.330 ppm2 0.997 CV 1 ASSI { 389} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HB2 )) 2.100 2.100 3.900 peak 389 weight 0.10000E+01 volume 0.11294E-01 ppm1 3.998 ppm2 1.861 CV 1 OR { 389} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HG1 )) ASSI { 399} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HB2 )) 2.400 0.700 0.900 peak 399 weight 0.10000E+01 volume 0.46479E-02 ppm1 4.601 ppm2 3.201 CV 1 ASSI { 400} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HB1 )) 2.400 0.700 0.900 peak 400 weight 0.10000E+01 volume 0.51257E-02 ppm1 4.601 ppm2 3.352 CV 1 ASSI { 392} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HD1 )) 3.000 1.100 1.300 peak 392 weight 0.10000E+01 volume 0.13140E-02 ppm1 3.997 ppm2 3.096 CV 1 ASSI { 404} (( segid " " and resid 187 and name HA )) (( segid " " and resid 191 and name HB )) 3.000 1.100 1.300 peak 404 weight 0.10000E+01 volume 0.12597E-02 ppm1 4.596 ppm2 4.100 CV 1 ASSI { 378} (( segid " " and resid 226 and name HA )) ( segid " " and resid 226 and name HE% ) 3.000 3.000 3.000 peak 378 weight 0.10000E+01 volume 0.62116E-03 ppm1 4.381 ppm2 6.855 CV 1 ASSI { 366} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HB2 )) 2.300 0.700 0.900 peak 366 weight 0.10000E+01 volume 0.55601E-02 ppm1 3.445 ppm2 1.340 CV 1 ASSI { 367} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HB1 )) 2.400 0.700 0.900 peak 367 weight 0.10000E+01 volume 0.49519E-02 ppm1 3.445 ppm2 1.666 CV 1 ASSI { 390} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HG2 )) 2.300 0.700 0.900 peak 390 weight 0.10000E+01 volume 0.56252E-02 ppm1 3.998 ppm2 1.625 CV 1 ASSI { 394} (( segid " " and resid 220 and name HA )) (( segid " " and resid 217 and name HA )) 3.300 1.300 1.500 peak 394 weight 0.10000E+01 volume 0.75148E-03 ppm1 3.993 ppm2 3.697 CV 1 ASSI { 372} (( segid " " and resid 154 and name HA )) ( segid " " and resid 157 and name HE% ) 2.700 2.700 3.300 peak 372 weight 0.10000E+01 volume 0.10360E-02 ppm1 3.446 ppm2 6.571 CV 1 ASSI { 391} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HD2 )) 3.800 1.200 1.500 peak 391 weight 0.10000E+01 volume 0.10751E-02 ppm1 3.990 ppm2 2.949 CV 1 ASSI { 383} (( segid " " and resid 204 and name HA )) (( segid " " and resid 204 and name HD2 )) 2.800 1.000 1.200 peak 383 weight 0.10000E+01 volume 0.19199E-02 ppm1 4.118 ppm2 1.730 CV 1 OR { 383} (( segid " " and resid 204 and name HA )) (( segid " " and resid 204 and name HD1 )) ASSI { 382} (( segid " " and resid 204 and name HA )) (( segid " " and resid 204 and name HG2 )) 2.700 0.900 1.100 peak 382 weight 0.10000E+01 volume 0.23240E-02 ppm1 4.119 ppm2 1.440 CV 1 ASSI { 386} (( segid " " and resid 212 and name HA )) (( segid " " and resid 212 and name HG2 )) 2.400 0.700 0.900 peak 386 weight 0.10000E+01 volume 0.48868E-02 ppm1 3.996 ppm2 2.455 CV 1 ASSI { 380} (( segid " " and resid 212 and name HA )) ( segid " " and resid 215 and name HD1%) 2.200 0.600 0.800 peak 380 weight 0.10000E+01 volume 0.77971E-02 ppm1 3.995 ppm2 0.868 CV 1 ASSI { 402} (( segid " " and resid 230 and name HA )) (( segid " " and resid 229 and name HA1 )) 3.100 1.200 1.400 peak 402 weight 0.10000E+01 volume 0.11228E-02 ppm1 4.528 ppm2 3.981 CV 1 OR { 402} (( segid " " and resid 230 and name HA )) (( segid " " and resid 229 and name HA2 )) ASSI { 421} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB )) 2.400 0.700 0.900 peak 421 weight 0.10000E+01 volume 0.52994E-02 ppm1 3.932 ppm2 0.882 CV 1 ASSI { 419} (( segid " " and resid 139 and name HA )) ( segid " " and resid 139 and name HD1%) 2.500 0.800 1.000 peak 419 weight 0.10000E+01 volume 0.40397E-02 ppm1 3.931 ppm2 0.484 CV 1 ASSI { 427} (( segid " " and resid 161 and name HA )) ( segid " " and resid 210 and name HG1%) 3.100 1.200 1.400 peak 427 weight 0.10000E+01 volume 0.92957E-03 ppm1 4.941 ppm2 1.247 CV 1 ASSI { 420} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HG12)) 2.400 0.700 0.900 peak 420 weight 0.10000E+01 volume 0.43004E-02 ppm1 3.931 ppm2 0.782 CV 1 ASSI { 428} (( segid " " and resid 161 and name HA )) ( segid " " and resid 183 and name HG2%) 2.200 0.600 0.800 peak 428 weight 0.10000E+01 volume 0.75148E-02 ppm1 4.942 ppm2 1.487 CV 1 ASSI { 429} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name HB )) 2.300 0.700 0.900 peak 429 weight 0.10000E+01 volume 0.62985E-02 ppm1 4.941 ppm2 2.630 CV 1 ASSI { 418} (( segid " " and resid 139 and name HA )) ( segid " " and resid 139 and name HG2%) 2.200 0.600 0.800 peak 418 weight 0.10000E+01 volume 0.75365E-02 ppm1 3.931 ppm2 -0.026 CV 1 ASSI { 426} (( segid " " and resid 161 and name HA )) ( segid " " and resid 161 and name HG1%) 2.300 0.600 0.800 peak 426 weight 0.10000E+01 volume 0.65809E-02 ppm1 4.942 ppm2 0.950 CV 1 ASSI { 405} (( segid " " and resid 217 and name HA )) ( segid " " and resid 161 and name HG2%) 3.200 3.200 2.800 peak 405 weight 0.10000E+01 volume 0.92740E-03 ppm1 3.659 ppm2 0.765 CV 1 ASSI { 410} (( segid " " and resid 217 and name HA )) ( segid " " and resid 134 and name HE% ) 2.600 2.600 3.400 peak 410 weight 0.10000E+01 volume 0.29755E-02 ppm1 3.664 ppm2 2.135 CV 1 ASSI { 407} (( segid " " and resid 217 and name HA )) (( segid " " and resid 220 and name HG2 )) 2.700 0.900 1.100 peak 407 weight 0.10000E+01 volume 0.22153E-02 ppm1 3.667 ppm2 1.649 CV 1 ASSI { 431} (( segid " " and resid 161 and name HA )) ( segid " " and resid 162 and name HD% ) 2.900 1.100 1.300 peak 431 weight 0.10000E+01 volume 0.66243E-03 ppm1 4.938 ppm2 6.919 CV 1 ASSI { 413} (( segid " " and resid 217 and name HA )) (( segid " " and resid 220 and name HD1 )) 2.800 2.800 3.200 peak 413 weight 0.10000E+01 volume 0.17571E-02 ppm1 3.664 ppm2 3.091 CV 1 ASSI { 444} (( segid " " and resid 147 and name HA )) ( segid " " and resid 205 and name HE% ) 3.100 3.100 2.900 peak 444 weight 0.10000E+01 volume 0.98604E-03 ppm1 4.695 ppm2 1.493 CV 1 ASSI { 412} (( segid " " and resid 217 and name HA )) (( segid " " and resid 220 and name HD2 )) 2.500 0.800 1.000 peak 412 weight 0.10000E+01 volume 0.36488E-02 ppm1 3.665 ppm2 2.954 CV 1 ASSI { 446} (( segid " " and resid 147 and name HA )) ( segid " " and resid 141 and name HE% ) 2.900 1.000 1.200 peak 446 weight 0.10000E+01 volume 0.79709E-03 ppm1 4.690 ppm2 6.890 CV 1 ASSI { 435} (( segid " " and resid 132 and name HA )) (( segid " " and resid 160 and name HG2 )) 3.000 1.100 1.300 peak 435 weight 0.10000E+01 volume 0.13075E-02 ppm1 4.421 ppm2 2.027 CV 1 ASSI { 436} (( segid " " and resid 132 and name HA )) (( segid " " and resid 160 and name HG1 )) 3.000 1.100 1.300 peak 436 weight 0.10000E+01 volume 0.13205E-02 ppm1 4.422 ppm2 2.171 CV 1 ASSI { 432} (( segid " " and resid 132 and name HA )) ( segid " " and resid 133 and name HB% ) 2.800 2.800 3.200 peak 432 weight 0.10000E+01 volume 0.18635E-02 ppm1 4.422 ppm2 1.291 CV 1 ASSI { 423} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HB2 )) 2.400 0.700 0.900 peak 423 weight 0.10000E+01 volume 0.48650E-02 ppm1 4.248 ppm2 1.973 CV 1 ASSI { 422} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HG2 )) 2.500 0.800 1.000 peak 422 weight 0.10000E+01 volume 0.38660E-02 ppm1 4.248 ppm2 1.799 CV 1 ASSI { 473} (( segid " " and resid 135 and name HA )) (( segid " " and resid 134 and name HB2 )) 3.200 1.300 1.500 peak 473 weight 0.10000E+01 volume 0.89047E-03 ppm1 4.389 ppm2 2.004 CV 1 OR { 473} (( segid " " and resid 135 and name HA )) (( segid " " and resid 134 and name HB1 )) ASSI { 464} (( segid " " and resid 223 and name HA )) (( segid " " and resid 223 and name HG2 )) 3.000 0.700 0.900 peak 464 weight 0.10000E+01 volume 0.62116E-02 ppm1 4.137 ppm2 2.404 CV 1 ASSI { 487} (( segid " " and resid 202 and name HA )) ( segid " " and resid 206 and name HE% ) 3.200 3.200 2.800 peak 487 weight 0.10000E+01 volume 0.88614E-03 ppm1 4.610 ppm2 1.343 CV 1 ASSI { 476} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HB2 )) 3.300 1.400 1.600 peak 476 weight 0.10000E+01 volume 0.70804E-03 ppm1 4.506 ppm2 0.903 CV 1 ASSI { 488} (( segid " " and resid 202 and name HA )) ( segid " " and resid 201 and name HG2%) 2.900 1.000 1.200 peak 488 weight 0.10000E+01 volume 0.16267E-02 ppm1 4.607 ppm2 0.725 CV 1 ASSI { 474} (( segid " " and resid 128 and name HA )) (( segid " " and resid 164 and name HB1 )) 3.100 1.200 1.400 peak 474 weight 0.10000E+01 volume 0.96650E-03 ppm1 4.504 ppm2 1.660 CV 1 OR { 474} (( segid " " and resid 128 and name HA )) (( segid " " and resid 164 and name HB2 )) ASSI { 478} (( segid " " and resid 128 and name HA )) ( segid " " and resid 128 and name HD% ) 2.600 0.800 1.000 peak 478 weight 0.10000E+01 volume 0.15725E-02 ppm1 4.505 ppm2 6.822 CV 1 ASSI { 480} (( segid " " and resid 202 and name HA )) ( segid " " and resid 149 and name HE% ) 2.600 2.600 3.400 peak 480 weight 0.10000E+01 volume 0.14726E-02 ppm1 4.607 ppm2 6.880 CV 1 ASSI { 479} (( segid " " and resid 128 and name HA )) ( segid " " and resid 162 and name HD% ) 2.600 2.600 3.400 peak 479 weight 0.10000E+01 volume 0.15138E-02 ppm1 4.504 ppm2 6.928 CV 1 ASSI { 482} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HB1 )) 2.500 0.800 1.000 peak 482 weight 0.10000E+01 volume 0.33448E-02 ppm1 4.608 ppm2 3.418 CV 1 ASSI { 459} (( segid " " and resid 221 and name HA )) (( segid " " and resid 221 and name HB2 )) 2.400 0.700 0.900 peak 459 weight 0.10000E+01 volume 0.52994E-02 ppm1 4.048 ppm2 1.719 CV 1 ASSI { 457} (( segid " " and resid 186 and name HA )) ( segid " " and resid 190 and name HG2%) 2.900 1.000 1.200 peak 457 weight 0.10000E+01 volume 0.15941E-02 ppm1 4.047 ppm2 1.292 CV 1 ASSI { 461} (( segid " " and resid 221 and name HA )) (( segid " " and resid 221 and name HB1 )) 2.100 0.600 0.800 peak 461 weight 0.10000E+01 volume 0.10012E-01 ppm1 4.048 ppm2 2.046 CV 1 ASSI { 455} (( segid " " and resid 186 and name HA )) ( segid " " and resid 189 and name HG2%) 2.700 0.900 1.100 peak 455 weight 0.10000E+01 volume 0.24542E-02 ppm1 4.048 ppm2 0.969 CV 1 ASSI { 456} (( segid " " and resid 186 and name HA )) ( segid " " and resid 189 and name HG1%) 2.400 2.400 3.600 peak 456 weight 0.10000E+01 volume 0.49519E-02 ppm1 4.048 ppm2 1.058 CV 1 ASSI { 469} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HD1 )) 2.300 0.700 0.900 peak 469 weight 0.10000E+01 volume 0.62551E-02 ppm1 4.236 ppm2 3.281 CV 1 ASSI { 498} (( segid " " and resid 178 and name HA )) (( segid " " and resid 182 and name HG12)) 3.300 1.400 1.600 peak 498 weight 0.10000E+01 volume 0.64723E-03 ppm1 4.561 ppm2 0.898 CV 1 OR { 498} (( segid " " and resid 178 and name HA )) (( segid " " and resid 182 and name HG11)) ASSI { 505} (( segid " " and resid 162 and name HA )) (( segid " " and resid 130 and name HB2 )) 3.100 1.200 1.400 peak 505 weight 0.10000E+01 volume 0.10078E-02 ppm1 5.553 ppm2 0.959 CV 1 ASSI { 503} (( segid " " and resid 162 and name HA )) ( segid " " and resid 130 and name HD1%) 3.300 3.300 2.700 peak 503 weight 0.10000E+01 volume 0.72324E-03 ppm1 5.555 ppm2 0.614 CV 1 ASSI { 517} (( segid " " and resid 162 and name HA )) ( segid " " and resid 128 and name HD% ) 2.700 2.700 3.300 peak 517 weight 0.10000E+01 volume 0.12445E-02 ppm1 5.555 ppm2 6.836 CV 1 ASSI { 508} (( segid " " and resid 162 and name HA )) (( segid " " and resid 128 and name HB1 )) 3.300 1.300 1.500 peak 508 weight 0.10000E+01 volume 0.72541E-03 ppm1 5.553 ppm2 2.868 CV 1 ASSI { 504} (( segid " " and resid 162 and name HA )) ( segid " " and resid 161 and name HG2%) 3.400 1.400 1.600 peak 504 weight 0.10000E+01 volume 0.63419E-03 ppm1 5.550 ppm2 0.774 CV 1 ASSI { 507} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB1 )) 2.400 0.700 0.900 peak 507 weight 0.10000E+01 volume 0.42352E-02 ppm1 5.553 ppm2 2.591 CV 1 OR { 507} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB2 )) ASSI { 502} (( segid " " and resid 162 and name HA )) ( segid " " and resid 182 and name HG2%) 3.200 1.300 1.500 peak 502 weight 0.10000E+01 volume 0.86007E-03 ppm1 5.555 ppm2 0.298 CV 1 ASSI { 511} (( segid " " and resid 162 and name HA )) ( segid " " and resid 163 and name HD% ) 2.600 0.800 1.000 peak 511 weight 0.10000E+01 volume 0.14530E-02 ppm1 5.556 ppm2 7.004 CV 1 ASSI { 501} (( segid " " and resid 162 and name HA )) ( segid " " and resid 130 and name HD2%) 2.700 2.700 3.300 peak 501 weight 0.10000E+01 volume 0.23240E-02 ppm1 5.553 ppm2 0.017 CV 1 ASSI { 526} (( segid " " and resid 228 and name HA )) (( segid " " and resid 228 and name HD1 )) 2.800 2.800 3.200 peak 526 weight 0.10000E+01 volume 0.20677E-02 ppm1 4.277 ppm2 3.160 CV 1 OR { 526} (( segid " " and resid 228 and name HA )) (( segid " " and resid 228 and name HD2 )) ASSI { 524} (( segid " " and resid 228 and name HA )) (( segid " " and resid 228 and name HG2 )) 2.800 0.800 1.000 peak 524 weight 0.10000E+01 volume 0.79926E-02 ppm1 4.276 ppm2 1.662 CV 1 OR { 524} (( segid " " and resid 228 and name HA )) (( segid " " and resid 228 and name HG1 )) ASSI { 514} (( segid " " and resid 198 and name HA )) ( segid " " and resid 198 and name HE% ) 2.600 2.600 3.400 peak 514 weight 0.10000E+01 volume 0.13552E-02 ppm1 5.310 ppm2 7.440 CV 1 ASSI { 518} (( segid " " and resid 198 and name HA )) (( segid " " and resid 202 and name HB1 )) 3.200 1.200 1.400 peak 518 weight 0.10000E+01 volume 0.91003E-03 ppm1 5.315 ppm2 3.410 CV 1 ASSI { 520} (( segid " " and resid 198 and name HA )) (( segid " " and resid 202 and name HB2 )) 3.300 1.400 1.600 peak 520 weight 0.10000E+01 volume 0.71456E-03 ppm1 5.313 ppm2 2.676 CV 1 ASSI { 535} (( segid " " and resid 198 and name HA )) ( segid " " and resid 199 and name HG2%) 3.200 3.200 2.800 peak 535 weight 0.10000E+01 volume 0.77754E-03 ppm1 5.315 ppm2 1.452 CV 1 ASSI { 543} (( segid " " and resid 181 and name HA )) ( segid " " and resid 184 and name HD1%) 3.000 1.100 1.300 peak 543 weight 0.10000E+01 volume 0.12119E-02 ppm1 4.336 ppm2 0.810 CV 1 ASSI { 560} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HB1 )) 2.200 0.600 0.800 peak 560 weight 0.10000E+01 volume 0.85356E-02 ppm1 4.329 ppm2 2.851 CV 1 ASSI { 559} (( segid " " and resid 173 and name HA )) (( segid " " and resid 173 and name HB2 )) 2.200 0.600 0.800 peak 559 weight 0.10000E+01 volume 0.72976E-02 ppm1 4.255 ppm2 2.669 CV 1 ASSI { 561} (( segid " " and resid 173 and name HA )) (( segid " " and resid 173 and name HB1 )) 2.200 0.600 0.800 peak 561 weight 0.10000E+01 volume 0.82315E-02 ppm1 4.253 ppm2 2.746 CV 1 ASSI { 541} (( segid " " and resid 173 and name HA )) ( segid " " and resid 176 and name HG2%) 2.600 0.800 1.000 peak 541 weight 0.10000E+01 volume 0.29973E-02 ppm1 4.253 ppm2 1.072 CV 1 ASSI { 551} (( segid " " and resid 227 and name HA )) (( segid " " and resid 227 and name HG1 )) 2.100 2.100 3.900 peak 551 weight 0.10000E+01 volume 0.10881E-01 ppm1 4.246 ppm2 2.387 CV 1 OR { 551} (( segid " " and resid 227 and name HA )) (( segid " " and resid 227 and name HG2 )) ASSI { 545} (( segid " " and resid 194 and name HA )) (( segid " " and resid 194 and name HG2 )) 2.200 0.600 0.800 peak 545 weight 0.10000E+01 volume 0.79926E-02 ppm1 4.398 ppm2 1.488 CV 1 ASSI { 556} (( segid " " and resid 194 and name HA )) (( segid " " and resid 194 and name HD2 )) 2.500 0.800 1.000 peak 556 weight 0.10000E+01 volume 0.41266E-02 ppm1 4.398 ppm2 1.684 CV 1 OR { 556} (( segid " " and resid 194 and name HA )) (( segid " " and resid 194 and name HD1 )) ASSI { 546} (( segid " " and resid 194 and name HA )) ( segid " " and resid 193 and name HG2%) 3.000 1.100 1.300 peak 546 weight 0.10000E+01 volume 0.12314E-02 ppm1 4.399 ppm2 1.311 CV 1 ASSI { 550} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HB1 )) 2.400 0.700 0.900 peak 550 weight 0.10000E+01 volume 0.42786E-02 ppm1 4.146 ppm2 2.129 CV 1 ASSI { 565} (( segid " " and resid 196 and name HA )) (( segid " " and resid 197 and name HA )) 2.900 2.900 3.100 peak 565 weight 0.10000E+01 volume 0.16767E-02 ppm1 4.250 ppm2 4.636 CV 1 ASSI { 539} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HG1 )) 2.300 0.700 0.900 peak 539 weight 0.10000E+01 volume 0.59076E-02 ppm1 4.144 ppm2 1.391 CV 1 OR { 539} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HB2 )) ASSI { 538} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HG2 )) 2.700 0.900 1.100 peak 538 weight 0.10000E+01 volume 0.23891E-02 ppm1 4.145 ppm2 0.290 CV 1 ASSI { 577} (( segid " " and resid 174 and name HA )) (( segid " " and resid 174 and name HB1 )) 2.300 0.700 0.900 peak 577 weight 0.10000E+01 volume 0.59511E-02 ppm1 4.565 ppm2 3.070 CV 1 ASSI { 572} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HB2 )) 2.000 2.000 4.000 peak 572 weight 0.10000E+01 volume 0.14899E-01 ppm1 4.255 ppm2 1.601 CV 1 OR { 572} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HB1 )) ASSI { 594} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB1 )) 2.300 0.700 0.900 peak 594 weight 0.10000E+01 volume 0.58424E-02 ppm1 4.333 ppm2 2.167 CV 1 OR { 594} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB2 )) ASSI { 597} (( segid " " and resid 153 and name HA )) (( segid " " and resid 156 and name HD2 )) 3.000 1.100 1.300 peak 597 weight 0.10000E+01 volume 0.11902E-02 ppm1 4.333 ppm2 3.100 CV 1 ASSI { 598} (( segid " " and resid 153 and name HA )) (( segid " " and resid 156 and name HD1 )) 3.100 1.200 1.400 peak 598 weight 0.10000E+01 volume 0.10643E-02 ppm1 4.334 ppm2 3.269 CV 1 ASSI { 593} (( segid " " and resid 153 and name HA )) (( segid " " and resid 152 and name HB2 )) 3.100 1.200 1.600 peak 593 weight 0.10000E+01 volume 0.10816E-02 ppm1 4.338 ppm2 1.904 CV 1 OR { 593} (( segid " " and resid 153 and name HA )) (( segid " " and resid 152 and name HB1 )) ASSI { 607} (( segid " " and resid 125 and name HA )) ( segid " " and resid 162 and name HE% ) 2.800 2.800 3.200 peak 607 weight 0.10000E+01 volume 0.89700E-03 ppm1 4.397 ppm2 6.741 CV 1 ASSI { 588} (( segid " " and resid 125 and name HA )) (( segid " " and resid 182 and name HG11)) 3.200 1.300 1.500 peak 588 weight 0.10000E+01 volume 0.82532E-03 ppm1 4.398 ppm2 0.877 CV 1 ASSI { 608} (( segid " " and resid 125 and name HA )) ( segid " " and resid 162 and name HD% ) 3.100 1.000 1.200 peak 608 weight 0.10000E+01 volume 0.91654E-03 ppm1 4.400 ppm2 6.939 CV 1 ASSI { 590} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB1 )) 2.200 0.600 0.800 peak 590 weight 0.10000E+01 volume 0.74496E-02 ppm1 4.399 ppm2 1.552 CV 1 OR { 590} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HG )) ASSI { 606} (( segid " " and resid 125 and name HA )) ( segid " " and resid 128 and name HD% ) 2.700 0.900 1.100 peak 606 weight 0.10000E+01 volume 0.10491E-02 ppm1 4.400 ppm2 6.833 CV 1 ASSI { 596} (( segid " " and resid 136 and name HA )) ( segid " " and resid 213 and name HE% ) 2.500 2.500 3.500 peak 596 weight 0.10000E+01 volume 0.33882E-02 ppm1 4.424 ppm2 1.869 CV 1 ASSI { 602} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HD1 )) 2.400 0.700 0.900 peak 602 weight 0.10000E+01 volume 0.50171E-02 ppm1 4.423 ppm2 3.945 CV 1 OR { 602} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HD2 )) ASSI { 585} (( segid " " and resid 125 and name HA )) ( segid " " and resid 182 and name HD1%) 3.200 1.300 1.500 peak 585 weight 0.10000E+01 volume 0.87962E-03 ppm1 4.400 ppm2 0.474 CV 1 ASSI { 592} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB1 )) 2.400 0.700 0.900 peak 592 weight 0.10000E+01 volume 0.53429E-02 ppm1 4.425 ppm2 1.760 CV 1 ASSI { 600} (( segid " " and resid 136 and name HA )) (( segid " " and resid 157 and name HB1 )) 3.300 3.300 2.700 peak 600 weight 0.10000E+01 volume 0.66677E-03 ppm1 4.420 ppm2 3.132 CV 1 OR { 600} (( segid " " and resid 136 and name HA )) (( segid " " and resid 157 and name HB2 )) ASSI { 601} (( segid " " and resid 136 and name HA )) (( segid " " and resid 159 and name HB1 )) 2.400 2.400 3.600 peak 601 weight 0.10000E+01 volume 0.48216E-02 ppm1 4.427 ppm2 3.625 CV 1 ASSI { 624} (( segid " " and resid 160 and name HA )) (( segid " " and resid 161 and name HB )) 3.100 3.100 2.900 peak 624 weight 0.10000E+01 volume 0.10143E-02 ppm1 4.540 ppm2 2.609 CV 1 ASSI { 619} (( segid " " and resid 160 and name HA )) ( segid " " and resid 133 and name HB% ) 3.000 3.000 3.000 peak 619 weight 0.10000E+01 volume 0.12944E-02 ppm1 4.547 ppm2 1.298 CV 1 ASSI { 613} (( segid " " and resid 140 and name HA )) ( segid " " and resid 141 and name HD% ) 2.700 2.700 3.300 peak 613 weight 0.10000E+01 volume 0.12271E-02 ppm1 4.948 ppm2 7.355 CV 1 ASSI { 616} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB2 )) 2.400 0.700 0.900 peak 616 weight 0.10000E+01 volume 0.48433E-02 ppm1 4.945 ppm2 2.952 CV 1 ASSI { 617} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB1 )) 2.400 0.700 0.900 peak 617 weight 0.10000E+01 volume 0.52126E-02 ppm1 4.946 ppm2 3.329 CV 1 ASSI { 636} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HG1 )) 2.700 0.900 1.100 peak 636 weight 0.10000E+01 volume 0.24326E-02 ppm1 4.187 ppm2 2.396 CV 1 ASSI { 630} (( segid " " and resid 224 and name HA )) ( segid " " and resid 224 and name HB% ) 1.800 0.400 0.600 peak 630 weight 0.10000E+01 volume 0.23240E-01 ppm1 4.186 ppm2 1.423 CV 1 ASSI { 614} (( segid " " and resid 140 and name HA )) ( segid " " and resid 139 and name HG2%) 3.100 1.200 1.400 peak 614 weight 0.10000E+01 volume 0.98387E-03 ppm1 4.943 ppm2 -0.030 CV 1 ASSI { 2650} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB1 )) 2.400 0.700 0.900 peak 2650 weight 0.10000E+01 volume 0.44307E-02 ppm1 4.744 ppm2 2.012 CV 1 OR { 2650} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB2 )) ASSI { 2651} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HG2 )) 2.800 1.000 1.200 peak 2651 weight 0.10000E+01 volume 0.19026E-02 ppm1 4.748 ppm2 2.467 CV 1 OR { 2651} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HG1 )) OR { 649} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HG1 )) ASSI { 647} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB2 )) 2.300 0.700 0.900 peak 647 weight 0.10000E+01 volume 0.57338E-02 ppm1 4.555 ppm2 0.919 CV 1 ASSI { 648} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB1 )) 2.300 0.600 0.800 peak 648 weight 0.10000E+01 volume 0.66460E-02 ppm1 4.555 ppm2 1.572 CV 1 ASSI { 663} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HG )) 2.900 1.100 1.300 peak 663 weight 0.10000E+01 volume 0.14921E-02 ppm1 4.525 ppm2 1.370 CV 1 ASSI { 660} (( segid " " and resid 164 and name HA )) (( segid " " and resid 129 and name HG2 )) 3.200 1.300 1.500 peak 660 weight 0.10000E+01 volume 0.85573E-03 ppm1 4.619 ppm2 2.222 CV 1 OR { 660} (( segid " " and resid 164 and name HA )) (( segid " " and resid 129 and name HG1 )) ASSI { 652} (( segid " " and resid 130 and name HA )) ( segid " " and resid 162 and name HE% ) 3.000 3.000 3.000 peak 652 weight 0.10000E+01 volume 0.54950E-03 ppm1 4.527 ppm2 6.787 CV 1 ASSI { 656} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HG2 )) 2.600 0.800 1.000 peak 656 weight 0.10000E+01 volume 0.31275E-02 ppm1 4.623 ppm2 1.159 CV 1 OR { 656} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HG1 )) ASSI { 657} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HB1 )) 2.500 0.800 1.000 peak 657 weight 0.10000E+01 volume 0.36053E-02 ppm1 4.622 ppm2 1.654 CV 1 OR { 657} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HB2 )) ASSI { 658} (( segid " " and resid 164 and name HA )) (( segid " " and resid 165 and name HG1 )) 2.900 2.900 3.100 peak 658 weight 0.10000E+01 volume 0.15920E-02 ppm1 4.622 ppm2 1.944 CV 1 ASSI { 653} (( segid " " and resid 164 and name HA )) (( segid " " and resid 165 and name HD2 )) 2.400 0.700 0.900 peak 653 weight 0.10000E+01 volume 0.42786E-02 ppm1 4.622 ppm2 3.526 CV 1 ASSI { 667} (( segid " " and resid 133 and name HA )) (( segid " " and resid 160 and name HG2 )) 2.200 0.600 0.800 peak 667 weight 0.10000E+01 volume 0.79926E-02 ppm1 4.453 ppm2 2.023 CV 1 ASSI { 669} (( segid " " and resid 133 and name HA )) (( segid " " and resid 159 and name HB2 )) 3.100 1.200 1.400 peak 669 weight 0.10000E+01 volume 0.94043E-03 ppm1 4.455 ppm2 2.458 CV 1 ASSI { 662} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HB1 )) 3.300 1.300 1.500 peak 662 weight 0.10000E+01 volume 0.75582E-03 ppm1 4.579 ppm2 2.549 CV 1 ASSI { 680} (( segid " " and resid 197 and name HA )) (( segid " " and resid 197 and name HB2 )) 2.000 2.000 4.000 peak 680 weight 0.10000E+01 volume 0.15225E-01 ppm1 4.668 ppm2 2.636 CV 1 OR { 680} (( segid " " and resid 197 and name HA )) (( segid " " and resid 197 and name HB1 )) ASSI { 670} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HB1 )) 2.400 0.700 0.900 peak 670 weight 0.10000E+01 volume 0.46696E-02 ppm1 5.010 ppm2 3.107 CV 1 OR { 670} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HB2 )) ASSI { 672} (( segid " " and resid 157 and name HA )) ( segid " " and resid 150 and name HE% ) 2.500 2.500 3.500 peak 672 weight 0.10000E+01 volume 0.18244E-02 ppm1 5.010 ppm2 6.977 CV 1 ASSI { 675} (( segid " " and resid 157 and name HA )) (( segid " " and resid 158 and name HG1 )) 3.300 1.300 1.500 peak 675 weight 0.10000E+01 volume 0.76885E-03 ppm1 5.005 ppm2 1.523 CV 1 ASSI { 694} (( segid " " and resid 159 and name HA )) (( segid " " and resid 160 and name HB2 )) 3.100 3.100 2.900 peak 694 weight 0.10000E+01 volume 0.11099E-02 ppm1 4.716 ppm2 1.702 CV 1 ASSI { 714} (( segid " " and resid 137 and name HD1 )) (( segid " " and resid 159 and name HB1 )) 2.400 2.400 3.600 peak 714 weight 0.10000E+01 volume 0.47782E-02 ppm1 3.940 ppm2 3.627 CV 1 OR { 714} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 159 and name HB1 )) ASSI { 734} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name HB1 )) 3.200 1.300 1.500 peak 734 weight 0.10000E+01 volume 0.77754E-03 ppm1 3.940 ppm2 2.265 CV 1 OR { 734} (( segid " " and resid 137 and name HD1 )) (( segid " " and resid 137 and name HB1 )) ASSI { 753} (( segid " " and resid 137 and name HD2 )) ( segid " " and resid 209 and name HG1%) 3.000 3.000 3.000 peak 753 weight 0.10000E+01 volume 0.12988E-02 ppm1 3.943 ppm2 1.317 CV 1 ASSI { 772} (( segid " " and resid 158 and name HD1 )) ( segid " " and resid 191 and name HG2%) 3.200 1.300 1.500 peak 772 weight 0.10000E+01 volume 0.84487E-03 ppm1 3.180 ppm2 0.970 CV 1 ASSI { 780} (( segid " " and resid 142 and name HA1 )) (( segid " " and resid 142 and name HA2 )) 1.900 0.500 0.700 peak 780 weight 0.10000E+01 volume 0.18917E-01 ppm1 4.192 ppm2 3.826 CV 1 ASSI { 783} (( segid " " and resid 195 and name HA2 )) (( segid " " and resid 195 and name HA1 )) 1.800 0.400 0.600 peak 783 weight 0.10000E+01 volume 0.25194E-01 ppm1 3.825 ppm2 4.144 CV 1 ASSI { 792} (( segid " " and resid 131 and name HA2 )) (( segid " " and resid 131 and name HA1 )) 2.300 0.700 0.900 peak 792 weight 0.10000E+01 volume 0.61682E-02 ppm1 4.438 ppm2 4.023 CV 1 ASSI { 813} (( segid " " and resid 156 and name HD1 )) (( segid " " and resid 156 and name HB2 )) 2.600 0.800 1.000 peak 813 weight 0.10000E+01 volume 0.32361E-02 ppm1 3.266 ppm2 1.393 CV 1 ASSI { 811} (( segid " " and resid 156 and name HD2 )) (( segid " " and resid 156 and name HG1 )) 2.500 0.800 1.000 peak 811 weight 0.10000E+01 volume 0.36053E-02 ppm1 3.093 ppm2 1.385 CV 1 ASSI { 826} (( segid " " and resid 220 and name HD2 )) (( segid " " and resid 220 and name HG2 )) 2.500 0.800 1.000 peak 826 weight 0.10000E+01 volume 0.39528E-02 ppm1 2.952 ppm2 1.628 CV 1 ASSI { 819} (( segid " " and resid 220 and name HD1 )) (( segid " " and resid 220 and name HB1 )) 2.500 0.800 1.000 peak 819 weight 0.10000E+01 volume 0.39528E-02 ppm1 3.100 ppm2 1.976 CV 1 ASSI { 824} (( segid " " and resid 220 and name HD2 )) (( segid " " and resid 220 and name HB1 )) 2.700 1.000 1.200 peak 824 weight 0.10000E+01 volume 0.33448E-02 ppm1 2.951 ppm2 1.970 CV 1 ASSI { 823} (( segid " " and resid 220 and name HD2 )) (( segid " " and resid 220 and name HG1 )) 2.200 0.600 0.800 peak 823 weight 0.10000E+01 volume 0.72976E-02 ppm1 2.951 ppm2 1.854 CV 1 OR { 823} (( segid " " and resid 220 and name HD2 )) (( segid " " and resid 220 and name HB2 )) ASSI { 821} (( segid " " and resid 220 and name HD1 )) (( segid " " and resid 220 and name HG1 )) 2.100 2.100 3.900 peak 821 weight 0.10000E+01 volume 0.10360E-01 ppm1 3.098 ppm2 1.852 CV 1 OR { 821} (( segid " " and resid 220 and name HD1 )) (( segid " " and resid 220 and name HB2 )) ASSI { 822} (( segid " " and resid 220 and name HD1 )) (( segid " " and resid 220 and name HG2 )) 2.400 0.700 0.900 peak 822 weight 0.10000E+01 volume 0.53646E-02 ppm1 3.101 ppm2 1.630 CV 1 ASSI { 827} (( segid " " and resid 220 and name HD2 )) ( segid " " and resid 216 and name HG2%) 2.700 2.700 3.300 peak 827 weight 0.10000E+01 volume 0.22153E-02 ppm1 2.952 ppm2 1.248 CV 1 ASSI { 793} (( segid " " and resid 130 and name HB2 )) ( segid " " and resid 130 and name HD2%) 2.600 0.800 1.000 peak 793 weight 0.10000E+01 volume 0.29103E-02 ppm1 0.983 ppm2 0.017 CV 1 ASSI { 802} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HA )) 2.700 0.900 1.100 peak 802 weight 0.10000E+01 volume 0.21719E-02 ppm1 0.983 ppm2 4.530 CV 1 ASSI { 800} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HB1 )) 2.300 0.600 0.800 peak 800 weight 0.10000E+01 volume 0.67546E-02 ppm1 0.983 ppm2 1.613 CV 1 ASSI { 797} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HG )) 2.700 0.900 1.100 peak 797 weight 0.10000E+01 volume 0.21003E-02 ppm1 0.982 ppm2 1.385 CV 1 ASSI { 799} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HG )) 2.600 0.900 1.100 peak 799 weight 0.10000E+01 volume 0.28669E-02 ppm1 1.610 ppm2 1.385 CV 1 ASSI { 804} (( segid " " and resid 130 and name HB2 )) ( segid " " and resid 162 and name HD% ) 3.000 1.100 1.300 peak 804 weight 0.10000E+01 volume 0.65809E-03 ppm1 0.982 ppm2 6.893 CV 1 ASSI { 835} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 145 and name HA )) 3.200 3.200 2.800 peak 835 weight 0.10000E+01 volume 0.92523E-03 ppm1 3.246 ppm2 4.187 CV 1 OR { 835} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 145 and name HA )) ASSI { 820} (( segid " " and resid 228 and name HD1 )) (( segid " " and resid 228 and name HB1 )) 2.200 0.600 0.800 peak 820 weight 0.10000E+01 volume 0.85790E-02 ppm1 3.162 ppm2 1.835 CV 1 OR { 820} (( segid " " and resid 228 and name HD1 )) (( segid " " and resid 228 and name HB2 )) OR { 820} (( segid " " and resid 228 and name HD2 )) (( segid " " and resid 228 and name HB2 )) ASSI { 816} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HB1 )) 2.200 0.600 0.800 peak 816 weight 0.10000E+01 volume 0.88396E-02 ppm1 3.233 ppm2 1.917 CV 1 OR { 816} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 148 and name HB1 )) ASSI { 815} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 148 and name HG1 )) 2.200 0.600 0.800 peak 815 weight 0.10000E+01 volume 0.90568E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 815} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HG1 )) ASSI { 814} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HG2 )) 2.100 0.600 0.800 peak 814 weight 0.10000E+01 volume 0.93175E-02 ppm1 3.236 ppm2 1.548 CV 1 OR { 814} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 148 and name HG2 )) ASSI { 847} (( segid " " and resid 151 and name HD1 )) (( segid " " and resid 151 and name HG1 )) 2.300 0.600 0.800 peak 847 weight 0.10000E+01 volume 0.64940E-02 ppm1 3.397 ppm2 2.055 CV 1 OR { 847} (( segid " " and resid 151 and name HD1 )) (( segid " " and resid 151 and name HB1 )) ASSI { 848} (( segid " " and resid 151 and name HD1 )) (( segid " " and resid 151 and name HG2 )) 2.300 0.600 0.800 peak 848 weight 0.10000E+01 volume 0.67546E-02 ppm1 3.398 ppm2 1.756 CV 1 ASSI { 846} (( segid " " and resid 151 and name HD2 )) (( segid " " and resid 151 and name HB1 )) 2.200 0.600 0.800 peak 846 weight 0.10000E+01 volume 0.71238E-02 ppm1 3.297 ppm2 2.054 CV 1 OR { 846} (( segid " " and resid 151 and name HD2 )) (( segid " " and resid 151 and name HG1 )) ASSI { 852} (( segid " " and resid 151 and name HD2 )) ( segid " " and resid 138 and name HD1%) 3.200 1.300 1.500 peak 852 weight 0.10000E+01 volume 0.81012E-03 ppm1 3.294 ppm2 0.895 CV 1 ASSI { 843} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 164 and name HA )) 3.000 1.100 1.300 peak 843 weight 0.10000E+01 volume 0.11750E-02 ppm1 2.896 ppm2 4.626 CV 1 OR { 843} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 164 and name HA )) ASSI { 840} (( segid " " and resid 164 and name HD1 )) ( segid " " and resid 128 and name HD% ) 3.000 1.100 1.300 peak 840 weight 0.10000E+01 volume 0.56687E-03 ppm1 2.860 ppm2 6.837 CV 1 OR { 840} (( segid " " and resid 164 and name HD2 )) ( segid " " and resid 128 and name HD% ) ASSI { 845} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 164 and name HB2 )) 2.500 0.800 1.000 peak 845 weight 0.10000E+01 volume 0.41483E-02 ppm1 2.900 ppm2 1.653 CV 1 OR { 845} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 164 and name HB2 )) OR { 845} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 164 and name HB1 )) ASSI { 844} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 164 and name HG1 )) 2.300 0.600 0.800 peak 844 weight 0.10000E+01 volume 0.67112E-02 ppm1 2.864 ppm2 1.161 CV 1 OR { 844} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 164 and name HG2 )) OR { 844} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 164 and name HG2 )) OR { 844} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 164 and name HG1 )) ASSI { 838} (( segid " " and resid 164 and name HD1 )) ( segid " " and resid 128 and name HE% ) 2.800 1.000 1.200 peak 838 weight 0.10000E+01 volume 0.82532E-03 ppm1 2.891 ppm2 6.691 CV 1 OR { 838} (( segid " " and resid 164 and name HD2 )) ( segid " " and resid 128 and name HE% ) ASSI { 842} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 128 and name HA )) 3.300 1.400 1.600 peak 842 weight 0.10000E+01 volume 0.70152E-03 ppm1 2.898 ppm2 4.507 CV 1 OR { 842} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 128 and name HA )) ASSI { 858} (( segid " " and resid 125 and name HB1 )) ( segid " " and resid 182 and name HD1%) 3.400 1.500 1.700 peak 858 weight 0.10000E+01 volume 0.57990E-03 ppm1 1.562 ppm2 0.451 CV 1 ASSI { 859} (( segid " " and resid 125 and name HB2 )) ( segid " " and resid 182 and name HD1%) 3.700 1.500 1.500 peak 859 weight 0.10000E+01 volume 0.56035E-03 ppm1 1.636 ppm2 0.448 CV 1 ASSI { 857} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 182 and name HG11)) 3.200 3.200 2.800 peak 857 weight 0.10000E+01 volume 0.86224E-03 ppm1 1.560 ppm2 0.893 CV 1 OR { 857} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 182 and name HG12)) ASSI { 863} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 128 and name HB2 )) 3.300 1.400 1.600 peak 863 weight 0.10000E+01 volume 0.71890E-03 ppm1 1.641 ppm2 2.899 CV 1 OR { 863} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 128 and name HB1 )) ASSI { 860} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 125 and name HB1 )) 1.700 0.400 0.700 peak 860 weight 0.10000E+01 volume 0.33230E-01 ppm1 1.639 ppm2 1.556 CV 1 ASSI { 864} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 125 and name HA )) 2.500 0.800 1.000 peak 864 weight 0.10000E+01 volume 0.41700E-02 ppm1 1.638 ppm2 4.399 CV 1 ASSI { 856} (( segid " " and resid 125 and name HB1 )) ( segid " " and resid 125 and name HD1%) 2.400 0.700 0.900 peak 856 weight 0.10000E+01 volume 0.46696E-02 ppm1 1.560 ppm2 0.704 CV 1 ASSI { 865} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 125 and name HA )) 2.500 0.800 1.000 peak 865 weight 0.10000E+01 volume 0.36705E-02 ppm1 1.559 ppm2 4.401 CV 1 ASSI { 867} (( segid " " and resid 208 and name HD2 )) ( segid " " and resid 139 and name HD1%) 3.200 1.300 1.500 peak 867 weight 0.10000E+01 volume 0.90568E-03 ppm1 3.165 ppm2 0.487 CV 1 ASSI { 866} (( segid " " and resid 208 and name HD1 )) ( segid " " and resid 139 and name HD1%) 3.400 1.400 1.600 peak 866 weight 0.10000E+01 volume 0.63854E-03 ppm1 3.281 ppm2 0.487 CV 1 ASSI { 888} (( segid " " and resid 208 and name HD1 )) (( segid " " and resid 208 and name HD2 )) 1.700 0.400 0.700 peak 888 weight 0.10000E+01 volume 0.33664E-01 ppm1 3.279 ppm2 3.171 CV 1 ASSI { 884} (( segid " " and resid 208 and name HD2 )) (( segid " " and resid 208 and name HG1 )) 2.300 0.700 0.900 peak 884 weight 0.10000E+01 volume 0.62333E-02 ppm1 3.168 ppm2 1.802 CV 1 OR { 884} (( segid " " and resid 208 and name HD2 )) (( segid " " and resid 208 and name HG2 )) ASSI { 889} (( segid " " and resid 208 and name HD2 )) (( segid " " and resid 208 and name HA )) 2.600 0.800 1.000 peak 889 weight 0.10000E+01 volume 0.29973E-02 ppm1 3.168 ppm2 4.249 CV 1 ASSI { 885} (( segid " " and resid 208 and name HD2 )) (( segid " " and resid 208 and name HB2 )) 2.700 2.700 3.300 peak 885 weight 0.10000E+01 volume 0.21719E-02 ppm1 3.169 ppm2 1.972 CV 1 ASSI { 886} (( segid " " and resid 208 and name HD2 )) (( segid " " and resid 208 and name HB1 )) 2.700 0.900 1.100 peak 886 weight 0.10000E+01 volume 0.22588E-02 ppm1 3.168 ppm2 2.130 CV 1 ASSI { 883} (( segid " " and resid 208 and name HD2 )) ( segid " " and resid 139 and name HG2%) 3.000 1.100 1.300 peak 883 weight 0.10000E+01 volume 0.12771E-02 ppm1 3.168 ppm2 -0.025 CV 1 ASSI { 882} (( segid " " and resid 208 and name HD1 )) ( segid " " and resid 139 and name HG2%) 3.100 1.200 1.400 peak 882 weight 0.10000E+01 volume 0.94478E-03 ppm1 3.276 ppm2 -0.028 CV 1 ASSI { 877} (( segid " " and resid 208 and name HD1 )) ( segid " " and resid 141 and name HE% ) 2.900 2.900 3.100 peak 877 weight 0.10000E+01 volume 0.70152E-03 ppm1 3.280 ppm2 6.896 CV 1 ASSI { 876} (( segid " " and resid 208 and name HD2 )) ( segid " " and resid 141 and name HE% ) 2.700 2.700 3.300 peak 876 weight 0.10000E+01 volume 0.10360E-02 ppm1 3.172 ppm2 6.907 CV 1 ASSI { 892} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 183 and name HA )) 3.400 1.500 1.700 peak 892 weight 0.10000E+01 volume 0.55601E-03 ppm1 2.571 ppm2 4.088 CV 1 ASSI { 2626} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 183 and name HA )) 3.400 3.400 2.600 peak 2626 weight 0.10000E+01 volume 0.57772E-03 ppm1 2.611 ppm2 4.092 CV 1 ASSI { 875} (( segid " " and resid 162 and name HB1 )) ( segid " " and resid 163 and name HD% ) 2.900 2.900 3.100 peak 875 weight 0.10000E+01 volume 0.81012E-03 ppm1 2.609 ppm2 7.006 CV 1 ASSI { 871} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 128 and name HD% ) 2.700 0.900 1.100 peak 871 weight 0.10000E+01 volume 0.12380E-02 ppm1 2.565 ppm2 6.874 CV 1 ASSI { 881} (( segid " " and resid 214 and name HB1 )) ( segid " " and resid 176 and name HG1%) 2.800 1.000 1.200 peak 881 weight 0.10000E+01 volume 0.19243E-02 ppm1 3.550 ppm2 1.070 CV 1 ASSI { 909} (( segid " " and resid 214 and name HB2 )) (( segid " " and resid 214 and name HB1 )) 2.600 0.900 1.100 peak 909 weight 0.10000E+01 volume 0.26931E-02 ppm1 2.899 ppm2 3.547 CV 1 ASSI { 922} (( segid " " and resid 202 and name HB1 )) (( segid " " and resid 198 and name HB1 )) 3.000 1.100 1.300 peak 922 weight 0.10000E+01 volume 0.12966E-02 ppm1 3.422 ppm2 3.163 CV 1 ASSI { 927} (( segid " " and resid 200 and name HE1 )) (( segid " " and resid 200 and name HG1 )) 2.200 0.600 0.800 peak 927 weight 0.10000E+01 volume 0.76885E-02 ppm1 3.025 ppm2 1.506 CV 1 OR { 927} (( segid " " and resid 200 and name HE2 )) (( segid " " and resid 200 and name HG1 )) ASSI { 929} (( segid " " and resid 200 and name HE2 )) (( segid " " and resid 200 and name HD1 )) 2.000 0.500 0.700 peak 929 weight 0.10000E+01 volume 0.15920E-01 ppm1 3.025 ppm2 1.727 CV 1 OR { 929} (( segid " " and resid 200 and name HE1 )) (( segid " " and resid 200 and name HD2 )) OR { 929} (( segid " " and resid 200 and name HE2 )) (( segid " " and resid 200 and name HD2 )) OR { 929} (( segid " " and resid 200 and name HE1 )) (( segid " " and resid 200 and name HD1 )) ASSI { 928} (( segid " " and resid 200 and name HE2 )) (( segid " " and resid 200 and name HG2 )) 2.300 0.600 0.800 peak 928 weight 0.10000E+01 volume 0.68849E-02 ppm1 3.025 ppm2 1.628 CV 1 OR { 928} (( segid " " and resid 200 and name HE1 )) (( segid " " and resid 200 and name HG2 )) ASSI { 930} (( segid " " and resid 200 and name HE2 )) (( segid " " and resid 200 and name HB1 )) 2.900 1.100 1.300 peak 930 weight 0.10000E+01 volume 0.14682E-02 ppm1 3.027 ppm2 1.892 CV 1 OR { 930} (( segid " " and resid 200 and name HE1 )) (( segid " " and resid 200 and name HB1 )) OR { 930} (( segid " " and resid 200 and name HE1 )) (( segid " " and resid 200 and name HB2 )) OR { 930} (( segid " " and resid 200 and name HE2 )) (( segid " " and resid 200 and name HB2 )) ASSI { 923} (( segid " " and resid 214 and name HB2 )) ( segid " " and resid 176 and name HG1%) 2.500 0.800 1.000 peak 923 weight 0.10000E+01 volume 0.40614E-02 ppm1 2.916 ppm2 1.057 CV 1 OR { 923} (( segid " " and resid 214 and name HB2 )) ( segid " " and resid 176 and name HG2%) ASSI { 940} (( segid " " and resid 202 and name HB1 )) ( segid " " and resid 206 and name HE% ) 3.400 1.400 1.600 peak 940 weight 0.10000E+01 volume 0.61465E-03 ppm1 3.416 ppm2 1.350 CV 1 ASSI { 894} (( segid " " and resid 185 and name HE2 )) ( segid " " and resid 182 and name HD1%) 2.800 1.000 1.200 peak 894 weight 0.10000E+01 volume 0.19872E-02 ppm1 2.917 ppm2 0.438 CV 1 ASSI { 908} (( segid " " and resid 204 and name HE2 )) (( segid " " and resid 201 and name HA )) 2.900 1.000 1.200 peak 908 weight 0.10000E+01 volume 0.16159E-02 ppm1 2.928 ppm2 3.807 CV 1 OR { 908} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 201 and name HA )) ASSI { 912} (( segid " " and resid 202 and name HB2 )) (( segid " " and resid 202 and name HB1 )) 2.500 0.800 1.000 peak 912 weight 0.10000E+01 volume 0.40832E-02 ppm1 2.669 ppm2 3.412 CV 1 ASSI { 931} (( segid " " and resid 204 and name HE2 )) (( segid " " and resid 204 and name HB1 )) 2.400 0.700 0.900 peak 931 weight 0.10000E+01 volume 0.49303E-02 ppm1 2.930 ppm2 1.968 CV 1 OR { 931} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 204 and name HB1 )) OR { 931} (( segid " " and resid 204 and name HE2 )) (( segid " " and resid 204 and name HB2 )) ASSI { 932} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 204 and name HD2 )) 1.900 0.500 0.700 peak 932 weight 0.10000E+01 volume 0.17376E-01 ppm1 2.942 ppm2 1.711 CV 1 OR { 932} (( segid " " and resid 204 and name HE2 )) (( segid " " and resid 204 and name HD2 )) OR { 932} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 204 and name HD1 )) ASSI { 925} (( segid " " and resid 214 and name HB2 )) ( segid " " and resid 210 and name HG1%) 3.000 1.100 1.300 peak 925 weight 0.10000E+01 volume 0.12402E-02 ppm1 2.918 ppm2 1.245 CV 1 ASSI { 903} (( segid " " and resid 202 and name HB2 )) ( segid " " and resid 157 and name HE% ) 3.000 3.000 3.000 peak 903 weight 0.10000E+01 volume 0.65157E-03 ppm1 2.668 ppm2 6.558 CV 1 ASSI { 917} (( segid " " and resid 202 and name HB1 )) ( segid " " and resid 198 and name HD% ) 2.700 2.700 3.300 peak 917 weight 0.10000E+01 volume 0.11228E-02 ppm1 3.420 ppm2 7.357 CV 1 ASSI { 913} (( segid " " and resid 202 and name HB2 )) (( segid " " and resid 198 and name HB1 )) 2.900 1.100 1.300 peak 913 weight 0.10000E+01 volume 0.14638E-02 ppm1 2.669 ppm2 3.150 CV 1 ASSI { 895} (( segid " " and resid 204 and name HE1 )) ( segid " " and resid 201 and name HG2%) 2.900 1.000 1.200 peak 895 weight 0.10000E+01 volume 0.16202E-02 ppm1 2.933 ppm2 0.725 CV 1 OR { 895} (( segid " " and resid 204 and name HE2 )) ( segid " " and resid 201 and name HG2%) ASSI { 939} (( segid " " and resid 202 and name HB1 )) ( segid " " and resid 203 and name HG1%) 3.300 1.300 1.500 peak 939 weight 0.10000E+01 volume 0.75582E-03 ppm1 3.420 ppm2 0.992 CV 1 ASSI { 915} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 141 and name HB1 )) 3.000 1.100 1.300 peak 915 weight 0.10000E+01 volume 0.13661E-02 ppm1 2.927 ppm2 3.382 CV 1 ASSI { 893} (( segid " " and resid 202 and name HB2 )) ( segid " " and resid 206 and name HE% ) 3.100 1.200 1.400 peak 893 weight 0.10000E+01 volume 0.10664E-02 ppm1 2.673 ppm2 1.356 CV 1 ASSI { 938} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 146 and name HB1 )) 3.200 1.300 1.500 peak 938 weight 0.10000E+01 volume 0.81663E-03 ppm1 3.373 ppm2 1.983 CV 1 ASSI { 900} (( segid " " and resid 204 and name HE1 )) ( segid " " and resid 141 and name HD% ) 3.000 1.200 1.400 peak 900 weight 0.10000E+01 volume 0.55166E-03 ppm1 2.933 ppm2 7.327 CV 1 OR { 900} (( segid " " and resid 204 and name HE2 )) ( segid " " and resid 141 and name HD% ) ASSI { 901} (( segid " " and resid 204 and name HE1 )) ( segid " " and resid 141 and name HE% ) 2.900 2.900 3.100 peak 901 weight 0.10000E+01 volume 0.80578E-03 ppm1 2.935 ppm2 6.906 CV 1 OR { 901} (( segid " " and resid 204 and name HE2 )) ( segid " " and resid 141 and name HE% ) ASSI { 911} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HB1 )) 2.700 2.700 3.300 peak 911 weight 0.10000E+01 volume 0.24759E-02 ppm1 2.815 ppm2 3.365 CV 1 ASSI { 944} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 150 and name HA )) 3.300 1.400 1.600 peak 944 weight 0.10000E+01 volume 0.67112E-03 ppm1 2.173 ppm2 4.123 CV 1 ASSI { 946} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 156 and name HB2 )) 3.300 1.400 1.600 peak 946 weight 0.10000E+01 volume 0.70587E-03 ppm1 2.170 ppm2 1.384 CV 1 OR { 946} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 156 and name HB2 )) ASSI { 948} (( segid " " and resid 153 and name HB1 )) ( segid " " and resid 157 and name HD% ) 3.000 1.100 1.300 peak 948 weight 0.10000E+01 volume 0.64505E-03 ppm1 2.188 ppm2 6.904 CV 1 ASSI { 947} (( segid " " and resid 153 and name HB1 )) ( segid " " and resid 157 and name HD% ) 2.900 1.100 1.300 peak 947 weight 0.10000E+01 volume 0.71021E-03 ppm1 2.170 ppm2 6.874 CV 1 OR { 947} (( segid " " and resid 153 and name HB2 )) ( segid " " and resid 157 and name HD% ) ASSI { 942} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 178 and name HA )) 2.400 0.700 0.900 peak 942 weight 0.10000E+01 volume 0.52777E-02 ppm1 2.972 ppm2 4.559 CV 1 ASSI { 954} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 145 and name HA )) 3.200 1.300 1.500 peak 954 weight 0.10000E+01 volume 0.87745E-03 ppm1 2.757 ppm2 4.226 CV 1 OR { 954} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 145 and name HA )) ASSI { 951} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HA )) 1.900 0.500 0.700 peak 951 weight 0.10000E+01 volume 0.16789E-01 ppm1 2.763 ppm2 4.514 CV 1 OR { 951} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HA )) ASSI { 952} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 197 and name HA )) 2.200 2.200 3.800 peak 952 weight 0.10000E+01 volume 0.74931E-02 ppm1 2.669 ppm2 4.663 CV 1 ASSI { 955} (( segid " " and resid 179 and name HB2 )) (( segid " " and resid 179 and name HB1 )) 2.700 2.700 3.300 peak 955 weight 0.10000E+01 volume 0.22805E-02 ppm1 3.009 ppm2 3.385 CV 1 ASSI { 950} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 144 and name HA )) 2.600 0.800 1.000 peak 950 weight 0.10000E+01 volume 0.29973E-02 ppm1 3.043 ppm2 4.520 CV 1 ASSI { 959} (( segid " " and resid 163 and name HB1 )) (( segid " " and resid 163 and name HA )) 3.000 1.100 1.300 peak 959 weight 0.10000E+01 volume 0.13445E-02 ppm1 2.643 ppm2 4.787 CV 1 OR { 959} (( segid " " and resid 163 and name HB2 )) (( segid " " and resid 163 and name HA )) ASSI { 965} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 162 and name HD% ) 2.500 0.800 1.000 peak 965 weight 0.10000E+01 volume 0.16007E-02 ppm1 2.891 ppm2 6.925 CV 1 OR { 965} (( segid " " and resid 128 and name HB1 )) ( segid " " and resid 162 and name HD% ) ASSI { 2609} (( segid " " and resid 198 and name HB2 )) ( segid " " and resid 198 and name HE% ) 3.000 3.000 3.000 peak 2609 weight 0.10000E+01 volume 0.57772E-03 ppm1 2.953 ppm2 7.443 CV 1 ASSI { 961} (( segid " " and resid 171 and name HB2 )) (( segid " " and resid 171 and name HA )) 2.500 0.800 1.000 peak 961 weight 0.10000E+01 volume 0.38443E-02 ppm1 3.050 ppm2 4.772 CV 1 ASSI { 960} (( segid " " and resid 171 and name HB1 )) (( segid " " and resid 171 and name HA )) 2.500 0.800 1.000 peak 960 weight 0.10000E+01 volume 0.34316E-02 ppm1 3.129 ppm2 4.779 CV 1 ASSI { 973} (( segid " " and resid 139 and name HB )) ( segid " " and resid 139 and name HD1%) 2.400 0.700 0.900 peak 973 weight 0.10000E+01 volume 0.42135E-02 ppm1 0.868 ppm2 0.494 CV 1 ASSI { 1003} (( segid " " and resid 225 and name HB1 )) (( segid " " and resid 166 and name HB2 )) 3.300 3.300 2.700 peak 1003 weight 0.10000E+01 volume 0.73193E-03 ppm1 3.035 ppm2 1.776 CV 1 ASSI { 999} (( segid " " and resid 225 and name HB1 )) (( segid " " and resid 225 and name HA )) 2.400 0.700 0.900 peak 999 weight 0.10000E+01 volume 0.44958E-02 ppm1 3.031 ppm2 4.182 CV 1 ASSI { 996} (( segid " " and resid 225 and name HB2 )) (( segid " " and resid 225 and name HB1 )) 2.100 0.600 0.800 peak 996 weight 0.10000E+01 volume 0.10534E-01 ppm1 2.845 ppm2 3.020 CV 1 ASSI { 997} (( segid " " and resid 225 and name HB2 )) (( segid " " and resid 222 and name HA )) 2.700 0.900 1.100 peak 997 weight 0.10000E+01 volume 0.21937E-02 ppm1 2.846 ppm2 3.931 CV 1 ASSI { 990} (( segid " " and resid 181 and name HB1 )) ( segid " " and resid 182 and name HD1%) 3.400 3.400 2.600 peak 990 weight 0.10000E+01 volume 0.58641E-03 ppm1 2.880 ppm2 0.434 CV 1 ASSI { 989} (( segid " " and resid 181 and name HB2 )) ( segid " " and resid 182 and name HD1%) 3.600 1.400 1.600 peak 989 weight 0.10000E+01 volume 0.69284E-03 ppm1 2.804 ppm2 0.424 CV 1 ASSI { 985} (( segid " " and resid 181 and name HB2 )) (( segid " " and resid 181 and name HA )) 2.200 0.600 0.800 peak 985 weight 0.10000E+01 volume 0.87528E-02 ppm1 2.804 ppm2 4.329 CV 1 ASSI { 986} (( segid " " and resid 167 and name HB2 )) (( segid " " and resid 167 and name HA )) 2.300 0.700 0.900 peak 986 weight 0.10000E+01 volume 0.59727E-02 ppm1 2.572 ppm2 4.619 CV 1 ASSI { 983} (( segid " " and resid 181 and name HB2 )) (( segid " " and resid 178 and name HA )) 2.500 2.500 3.500 peak 983 weight 0.10000E+01 volume 0.34534E-02 ppm1 2.803 ppm2 4.565 CV 1 ASSI { 984} (( segid " " and resid 181 and name HB1 )) (( segid " " and resid 178 and name HA )) 2.500 2.500 3.500 peak 984 weight 0.10000E+01 volume 0.34316E-02 ppm1 2.884 ppm2 4.565 CV 1 ASSI { 1000} (( segid " " and resid 225 and name HB1 )) (( segid " " and resid 226 and name HA )) 3.300 1.300 1.500 peak 1000 weight 0.10000E+01 volume 0.72324E-03 ppm1 3.036 ppm2 4.359 CV 1 ASSI { 982} (( segid " " and resid 218 and name HB2 )) (( segid " " and resid 218 and name HA )) 2.500 0.800 1.000 peak 982 weight 0.10000E+01 volume 0.40181E-02 ppm1 2.759 ppm2 4.735 CV 1 ASSI { 1026} (( segid " " and resid 146 and name HG2 )) ( segid " " and resid 149 and name HD% ) 3.000 3.000 3.000 peak 1026 weight 0.10000E+01 volume 0.62768E-03 ppm1 1.878 ppm2 6.949 CV 1 ASSI { 1029} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HB1 )) 2.300 0.700 0.900 peak 1029 weight 0.10000E+01 volume 0.54732E-02 ppm1 2.468 ppm2 3.637 CV 1 ASSI { 1013} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HB1 )) 2.400 0.700 0.900 peak 1013 weight 0.10000E+01 volume 0.49954E-02 ppm1 1.886 ppm2 1.997 CV 1 ASSI { 1033} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HB1 )) 2.500 0.800 1.000 peak 1033 weight 0.10000E+01 volume 0.41049E-02 ppm1 2.621 ppm2 2.879 CV 1 ASSI { 1025} (( segid " " and resid 146 and name HG1 )) ( segid " " and resid 149 and name HD% ) 3.000 3.000 3.000 peak 1025 weight 0.10000E+01 volume 0.60162E-03 ppm1 2.273 ppm2 6.974 CV 1 ASSI { 1072} (( segid " " and resid 149 and name HB1 )) ( segid " " and resid 149 and name HE% ) 2.700 2.700 3.300 peak 1072 weight 0.10000E+01 volume 0.10382E-02 ppm1 2.887 ppm2 6.881 CV 1 ASSI { 1015} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HA )) 2.900 0.900 1.100 peak 1015 weight 0.10000E+01 volume 0.30189E-02 ppm1 1.882 ppm2 3.590 CV 1 ASSI { 1010} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HB2 )) 2.600 0.800 1.000 peak 1010 weight 0.10000E+01 volume 0.29755E-02 ppm1 1.882 ppm2 1.562 CV 1 ASSI { 1019} (( segid " " and resid 146 and name HG1 )) ( segid " " and resid 205 and name HE% ) 2.800 1.000 1.200 peak 1019 weight 0.10000E+01 volume 0.18374E-02 ppm1 2.280 ppm2 1.461 CV 1 ASSI { 1018} (( segid " " and resid 146 and name HG1 )) (( segid " " and resid 146 and name HB2 )) 2.700 0.900 1.100 peak 1018 weight 0.10000E+01 volume 0.21263E-02 ppm1 2.278 ppm2 1.564 CV 1 ASSI { 1012} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HG1 )) 2.100 0.500 0.700 peak 1012 weight 0.10000E+01 volume 0.11142E-01 ppm1 1.884 ppm2 2.276 CV 1 ASSI { 1009} (( segid " " and resid 146 and name HG2 )) ( segid " " and resid 201 and name HG2%) 3.300 1.300 1.500 peak 1009 weight 0.10000E+01 volume 0.75582E-03 ppm1 1.888 ppm2 0.723 CV 1 ASSI { 1077} (( segid " " and resid 149 and name HB2 )) ( segid " " and resid 145 and name HD% ) 2.900 2.900 3.100 peak 1077 weight 0.10000E+01 volume 0.79926E-03 ppm1 2.620 ppm2 7.038 CV 1 ASSI { 1014} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 141 and name HB2 )) 3.100 1.200 1.400 peak 1014 weight 0.10000E+01 volume 0.95564E-03 ppm1 1.878 ppm2 2.838 CV 1 ASSI { 1076} (( segid " " and resid 149 and name HB2 )) ( segid " " and resid 149 and name HE% ) 2.700 2.700 3.300 peak 1076 weight 0.10000E+01 volume 0.10143E-02 ppm1 2.627 ppm2 6.875 CV 1 ASSI { 1035} (( segid " " and resid 149 and name HB1 )) ( segid " " and resid 205 and name HE% ) 3.100 1.200 1.400 peak 1035 weight 0.10000E+01 volume 0.95998E-03 ppm1 2.883 ppm2 1.494 CV 1 ASSI { 1056} (( segid " " and resid 150 and name HB1 )) ( segid " " and resid 150 and name HE% ) 3.000 3.000 3.000 peak 1056 weight 0.10000E+01 volume 0.55818E-03 ppm1 3.572 ppm2 7.024 CV 1 ASSI { 1052} (( segid " " and resid 226 and name HB1 )) (( segid " " and resid 223 and name HA )) 3.100 1.200 1.400 peak 1052 weight 0.10000E+01 volume 0.10903E-02 ppm1 3.170 ppm2 4.152 CV 1 ASSI { 1055} (( segid " " and resid 150 and name HB1 )) ( segid " " and resid 141 and name HE% ) 2.700 0.900 1.100 peak 1055 weight 0.10000E+01 volume 0.10947E-02 ppm1 3.576 ppm2 6.913 CV 1 ASSI { 1034} (( segid " " and resid 149 and name HB2 )) ( segid " " and resid 205 and name HE% ) 3.300 1.400 1.600 peak 1034 weight 0.10000E+01 volume 0.68849E-03 ppm1 2.627 ppm2 1.487 CV 1 ASSI { 1008} (( segid " " and resid 215 and name HB )) ( segid " " and resid 176 and name HG1%) 3.100 1.200 1.400 peak 1008 weight 0.10000E+01 volume 0.10034E-02 ppm1 2.036 ppm2 1.064 CV 1 ASSI { 1051} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HA )) 2.400 0.700 0.900 peak 1051 weight 0.10000E+01 volume 0.49519E-02 ppm1 3.276 ppm2 4.213 CV 1 ASSI { 1044} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HB2 )) 2.000 0.500 0.700 peak 1044 weight 0.10000E+01 volume 0.14225E-01 ppm1 3.275 ppm2 2.856 CV 1 ASSI { 1040} (( segid " " and resid 226 and name HB2 )) (( segid " " and resid 226 and name HB1 )) 1.900 0.500 0.700 peak 1040 weight 0.10000E+01 volume 0.16963E-01 ppm1 2.953 ppm2 3.168 CV 1 ASSI { 1017} (( segid " " and resid 215 and name HB )) (( segid " " and resid 215 and name HA )) 3.100 1.200 1.400 peak 1017 weight 0.10000E+01 volume 0.98387E-03 ppm1 2.036 ppm2 3.583 CV 1 ASSI { 1007} (( segid " " and resid 215 and name HB )) ( segid " " and resid 215 and name HD1%) 2.300 0.600 0.800 peak 1007 weight 0.10000E+01 volume 0.64723E-02 ppm1 2.035 ppm2 0.884 CV 1 OR { 1007} (( segid " " and resid 215 and name HB )) ( segid " " and resid 215 and name HG2%) ASSI { 1053} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HB2 )) 2.600 2.600 3.400 peak 1053 weight 0.10000E+01 volume 0.30189E-02 ppm1 3.577 ppm2 3.286 CV 1 ASSI { 1016} (( segid " " and resid 215 and name HB )) (( segid " " and resid 212 and name HA )) 2.800 1.000 1.200 peak 1016 weight 0.10000E+01 volume 0.19525E-02 ppm1 2.030 ppm2 3.994 CV 1 ASSI { 1047} (( segid " " and resid 150 and name HB1 )) ( segid " " and resid 205 and name HE% ) 3.200 1.300 1.500 peak 1047 weight 0.10000E+01 volume 0.90568E-03 ppm1 3.574 ppm2 1.491 CV 1 ASSI { 1064} (( segid " " and resid 150 and name HB2 )) ( segid " " and resid 149 and name HD% ) 2.700 0.900 1.100 peak 1064 weight 0.10000E+01 volume 0.12271E-02 ppm1 3.280 ppm2 6.948 CV 1 ASSI { 1091} (( segid " " and resid 174 and name HB2 )) ( segid " " and resid 175 and name HD% ) 2.700 2.700 3.300 peak 1091 weight 0.10000E+01 volume 0.12098E-02 ppm1 2.953 ppm2 7.313 CV 1 ASSI { 1087} (( segid " " and resid 174 and name HB2 )) (( segid " " and resid 174 and name HA )) 2.500 0.800 1.000 peak 1087 weight 0.10000E+01 volume 0.37139E-02 ppm1 2.930 ppm2 4.563 CV 1 ASSI { 1098} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 175 and name HA )) 2.700 0.900 1.100 peak 1098 weight 0.10000E+01 volume 0.22370E-02 ppm1 2.746 ppm2 2.998 CV 1 ASSI { 1093} (( segid " " and resid 175 and name HB2 )) ( segid " " and resid 176 and name HG1%) 3.300 1.300 1.500 peak 1093 weight 0.10000E+01 volume 0.72759E-03 ppm1 2.741 ppm2 1.082 CV 1 ASSI { 1097} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 175 and name HB1 )) 2.800 2.800 3.200 peak 1097 weight 0.10000E+01 volume 0.20915E-02 ppm1 2.748 ppm2 3.120 CV 1 ASSI { 1099} (( segid " " and resid 175 and name HB1 )) ( segid " " and resid 218 and name HD% ) 3.000 1.100 1.300 peak 1099 weight 0.10000E+01 volume 0.56469E-03 ppm1 3.126 ppm2 6.216 CV 1 ASSI { 1094} (( segid " " and resid 175 and name HB1 )) ( segid " " and resid 176 and name HG1%) 3.400 1.500 1.700 peak 1094 weight 0.10000E+01 volume 0.57772E-03 ppm1 3.111 ppm2 1.075 CV 1 ASSI { 1127} (( segid " " and resid 184 and name HB )) (( segid " " and resid 183 and name HB )) 3.300 1.400 1.600 peak 1127 weight 0.10000E+01 volume 0.65591E-03 ppm1 2.083 ppm2 4.481 CV 1 ASSI { 1126} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HA )) 2.400 0.700 0.900 peak 1126 weight 0.10000E+01 volume 0.44524E-02 ppm1 2.045 ppm2 4.753 CV 1 ASSI { 1104} (( segid " " and resid 184 and name HB )) ( segid " " and resid 184 and name HD1%) 2.400 0.700 0.900 peak 1104 weight 0.10000E+01 volume 0.46913E-02 ppm1 2.090 ppm2 0.783 CV 1 ASSI { 1133} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HG1 )) 2.300 0.700 0.900 peak 1133 weight 0.10000E+01 volume 0.56035E-02 ppm1 1.996 ppm2 2.467 CV 1 OR { 1133} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HG2 )) ASSI { 1132} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HG2 )) 2.300 0.700 0.900 peak 1132 weight 0.10000E+01 volume 0.61030E-02 ppm1 2.043 ppm2 2.468 CV 1 OR { 1132} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HG1 )) ASSI { 1125} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HA )) 2.400 0.700 0.900 peak 1125 weight 0.10000E+01 volume 0.44089E-02 ppm1 1.995 ppm2 4.754 CV 1 ASSI { 1112} (( segid " " and resid 182 and name HB )) (( segid " " and resid 182 and name HA )) 2.400 0.700 0.900 peak 1112 weight 0.10000E+01 volume 0.47130E-02 ppm1 1.605 ppm2 3.777 CV 1 ASSI { 1116} (( segid " " and resid 182 and name HB )) (( segid " " and resid 179 and name HA )) 3.100 1.200 1.400 peak 1116 weight 0.10000E+01 volume 0.93608E-03 ppm1 1.608 ppm2 4.768 CV 1 ASSI { 1111} (( segid " " and resid 182 and name HB )) (( segid " " and resid 182 and name HG12)) 2.200 0.600 0.800 peak 1111 weight 0.10000E+01 volume 0.73627E-02 ppm1 1.605 ppm2 0.896 CV 1 OR { 1111} (( segid " " and resid 182 and name HB )) (( segid " " and resid 182 and name HG11)) ASSI { 1113} (( segid " " and resid 182 and name HB )) (( segid " " and resid 162 and name HB2 )) 3.100 1.200 1.400 peak 1113 weight 0.10000E+01 volume 0.99690E-03 ppm1 1.606 ppm2 2.599 CV 1 ASSI { 1117} (( segid " " and resid 182 and name HB )) ( segid " " and resid 128 and name HE% ) 3.000 1.100 1.300 peak 1117 weight 0.10000E+01 volume 0.58207E-03 ppm1 1.614 ppm2 6.703 CV 1 ASSI { 1106} (( segid " " and resid 134 and name HB2 )) ( segid " " and resid 216 and name HG2%) 3.200 1.300 1.500 peak 1106 weight 0.10000E+01 volume 0.79926E-03 ppm1 1.999 ppm2 1.254 CV 1 ASSI { 1120} (( segid " " and resid 221 and name HG1 )) ( segid " " and resid 175 and name HE% ) 3.000 1.100 1.300 peak 1120 weight 0.10000E+01 volume 0.61465E-03 ppm1 2.413 ppm2 7.693 CV 1 ASSI { 1119} (( segid " " and resid 221 and name HG2 )) ( segid " " and resid 175 and name HE% ) 3.000 3.000 3.000 peak 1119 weight 0.10000E+01 volume 0.61682E-03 ppm1 2.220 ppm2 7.694 CV 1 ASSI { 1108} (( segid " " and resid 184 and name HB )) (( segid " " and resid 184 and name HG11)) 2.700 0.900 1.100 peak 1108 weight 0.10000E+01 volume 0.22805E-02 ppm1 2.090 ppm2 1.126 CV 1 ASSI { 1118} (( segid " " and resid 221 and name HG2 )) (( segid " " and resid 175 and name HZ )) 3.000 1.100 1.300 peak 1118 weight 0.10000E+01 volume 0.63854E-03 ppm1 2.212 ppm2 6.707 CV 1 ASSI { 1130} (( segid " " and resid 221 and name HG1 )) (( segid " " and resid 221 and name HB2 )) 2.500 0.800 1.000 peak 1130 weight 0.10000E+01 volume 0.33448E-02 ppm1 2.415 ppm2 1.736 CV 1 ASSI { 1128} (( segid " " and resid 221 and name HG2 )) (( segid " " and resid 221 and name HB2 )) 2.500 0.800 1.000 peak 1128 weight 0.10000E+01 volume 0.37139E-02 ppm1 2.212 ppm2 1.744 CV 1 ASSI { 1156} (( segid " " and resid 152 and name HG2 )) (( segid " " and resid 152 and name HB1 )) 2.200 0.600 0.800 peak 1156 weight 0.10000E+01 volume 0.75148E-02 ppm1 2.443 ppm2 1.900 CV 1 OR { 1156} (( segid " " and resid 152 and name HG2 )) (( segid " " and resid 152 and name HB2 )) ASSI { 1143} (( segid " " and resid 152 and name HG2 )) (( segid " " and resid 152 and name HA )) 2.500 0.800 1.000 peak 1143 weight 0.10000E+01 volume 0.35836E-02 ppm1 2.447 ppm2 4.076 CV 1 ASSI { 1159} (( segid " " and resid 152 and name HG2 )) (( segid " " and resid 152 and name HG1 )) 1.900 0.400 0.600 peak 1159 weight 0.10000E+01 volume 0.19568E-01 ppm1 2.446 ppm2 2.223 CV 1 ASSI { 1160} (( segid " " and resid 207 and name HG2 )) (( segid " " and resid 207 and name HG1 )) 2.000 0.500 0.700 peak 1160 weight 0.10000E+01 volume 0.16116E-01 ppm1 2.131 ppm2 2.535 CV 1 ASSI { 1140} (( segid " " and resid 207 and name HG1 )) ( segid " " and resid 184 and name HD1%) 2.600 0.800 1.000 peak 1140 weight 0.10000E+01 volume 0.29103E-02 ppm1 2.543 ppm2 0.787 CV 1 ASSI { 1141} (( segid " " and resid 207 and name HG1 )) ( segid " " and resid 203 and name HG2%) 2.600 2.600 3.400 peak 1141 weight 0.10000E+01 volume 0.31927E-02 ppm1 2.542 ppm2 0.928 CV 1 ASSI { 1158} (( segid " " and resid 207 and name HG1 )) (( segid " " and resid 207 and name HB2 )) 2.400 0.700 0.900 peak 1158 weight 0.10000E+01 volume 0.46261E-02 ppm1 2.541 ppm2 2.020 CV 1 ASSI { 1151} (( segid " " and resid 138 and name HB )) (( segid " " and resid 138 and name HG12)) 2.500 0.800 1.000 peak 1151 weight 0.10000E+01 volume 0.40181E-02 ppm1 1.927 ppm2 1.403 CV 1 ASSI { 1139} (( segid " " and resid 207 and name HG2 )) ( segid " " and resid 180 and name HG1%) 2.200 0.600 0.800 peak 1139 weight 0.10000E+01 volume 0.81446E-02 ppm1 2.138 ppm2 1.068 CV 1 ASSI { 1152} (( segid " " and resid 196 and name HG2 )) (( segid " " and resid 196 and name HB2 )) 2.200 0.600 0.800 peak 1152 weight 0.10000E+01 volume 0.81881E-02 ppm1 1.953 ppm2 1.601 CV 1 OR { 1152} (( segid " " and resid 196 and name HG2 )) (( segid " " and resid 196 and name HB1 )) ASSI { 1163} (( segid " " and resid 196 and name HG2 )) (( segid " " and resid 196 and name HA )) 2.600 2.600 3.400 peak 1163 weight 0.10000E+01 volume 0.28452E-02 ppm1 1.960 ppm2 4.253 CV 1 ASSI { 1181} (( segid " " and resid 196 and name HG1 )) (( segid " " and resid 196 and name HB1 )) 2.200 0.600 0.800 peak 1181 weight 0.10000E+01 volume 0.71890E-02 ppm1 2.094 ppm2 1.606 CV 1 OR { 1181} (( segid " " and resid 196 and name HG1 )) (( segid " " and resid 196 and name HB2 )) ASSI { 1171} (( segid " " and resid 196 and name HG2 )) ( segid " " and resid 198 and name HD% ) 3.000 3.000 3.000 peak 1171 weight 0.10000E+01 volume 0.62116E-03 ppm1 1.959 ppm2 7.353 CV 1 ASSI { 1182} (( segid " " and resid 196 and name HG2 )) (( segid " " and resid 196 and name HG1 )) 1.800 0.400 0.600 peak 1182 weight 0.10000E+01 volume 0.26498E-01 ppm1 1.959 ppm2 2.084 CV 1 ASSI { 1170} (( segid " " and resid 196 and name HG1 )) ( segid " " and resid 198 and name HE% ) 3.000 3.000 3.000 peak 1170 weight 0.10000E+01 volume 0.66026E-03 ppm1 2.097 ppm2 7.481 CV 1 ASSI { 1162} (( segid " " and resid 196 and name HG1 )) (( segid " " and resid 196 and name HA )) 2.400 0.700 0.900 peak 1162 weight 0.10000E+01 volume 0.49085E-02 ppm1 2.098 ppm2 4.248 CV 1 ASSI { 1172} (( segid " " and resid 196 and name HG2 )) ( segid " " and resid 198 and name HE% ) 3.000 1.100 1.300 peak 1172 weight 0.10000E+01 volume 0.60379E-03 ppm1 1.962 ppm2 7.478 CV 1 ASSI { 1169} (( segid " " and resid 196 and name HG1 )) ( segid " " and resid 198 and name HD% ) 3.000 3.000 3.000 peak 1169 weight 0.10000E+01 volume 0.61899E-03 ppm1 2.087 ppm2 7.361 CV 1 ASSI { 1177} (( segid " " and resid 219 and name HG1 )) (( segid " " and resid 219 and name HG2 )) 1.900 0.400 0.600 peak 1177 weight 0.10000E+01 volume 0.21393E-01 ppm1 2.634 ppm2 2.372 CV 1 ASSI { 1167} (( segid " " and resid 219 and name HG1 )) (( segid " " and resid 219 and name HA )) 2.700 0.900 1.100 peak 1167 weight 0.10000E+01 volume 0.23456E-02 ppm1 2.634 ppm2 3.760 CV 1 ASSI { 2629} (( segid " " and resid 157 and name HB1 )) ( segid " " and resid 150 and name HE% ) 2.900 1.100 1.300 peak 2629 weight 0.10000E+01 volume 0.72324E-03 ppm1 3.120 ppm2 6.978 CV 1 OR { 2629} (( segid " " and resid 157 and name HB2 )) ( segid " " and resid 150 and name HE% ) ASSI { 1191} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 154 and name HB1 )) 3.200 1.300 1.500 peak 1191 weight 0.10000E+01 volume 0.89265E-03 ppm1 3.122 ppm2 1.651 CV 1 OR { 1191} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 154 and name HB1 )) ASSI { 1199} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 129 and name HE% ) 3.200 1.300 1.500 peak 1199 weight 0.10000E+01 volume 0.86659E-03 ppm1 0.923 ppm2 2.001 CV 1 ASSI { 1198} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HG2 )) 2.400 0.700 0.900 peak 1198 weight 0.10000E+01 volume 0.44958E-02 ppm1 0.917 ppm2 2.230 CV 1 OR { 1198} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HG1 )) ASSI { 2645} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HB2 )) 2.100 0.500 0.700 peak 2645 weight 0.10000E+01 volume 0.11577E-01 ppm1 1.567 ppm2 0.915 CV 1 ASSI { 1212} (( segid " " and resid 205 and name HG1 )) (( segid " " and resid 202 and name HA )) 3.400 1.500 1.700 peak 1212 weight 0.10000E+01 volume 0.57772E-03 ppm1 2.954 ppm2 4.604 CV 1 ASSI { 1213} (( segid " " and resid 205 and name HG1 )) ( segid " " and resid 141 and name HE% ) 2.700 2.700 3.300 peak 1213 weight 0.10000E+01 volume 0.12098E-02 ppm1 2.953 ppm2 6.908 CV 1 ASSI { 1244} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 205 and name HG1 )) 2.100 0.600 0.800 peak 1244 weight 0.10000E+01 volume 0.92306E-02 ppm1 2.154 ppm2 2.949 CV 1 ASSI { 1241} (( segid " " and resid 205 and name HG2 )) ( segid " " and resid 141 and name HE% ) 2.600 0.900 1.100 peak 1241 weight 0.10000E+01 volume 0.13292E-02 ppm1 2.154 ppm2 6.900 CV 1 ASSI { 1214} (( segid " " and resid 205 and name HG1 )) ( segid " " and resid 149 and name HD% ) 2.800 2.800 3.200 peak 1214 weight 0.10000E+01 volume 0.86659E-03 ppm1 2.953 ppm2 6.980 CV 1 ASSI { 1207} (( segid " " and resid 205 and name HG1 )) ( segid " " and resid 205 and name HE% ) 2.600 0.800 1.000 peak 1207 weight 0.10000E+01 volume 0.32144E-02 ppm1 2.954 ppm2 1.488 CV 1 ASSI { 1211} (( segid " " and resid 205 and name HG1 )) (( segid " " and resid 205 and name HA )) 2.700 0.900 1.100 peak 1211 weight 0.10000E+01 volume 0.25845E-02 ppm1 2.953 ppm2 4.166 CV 1 ASSI { 1210} (( segid " " and resid 205 and name HG1 )) (( segid " " and resid 205 and name HB1 )) 2.500 0.800 1.000 peak 1210 weight 0.10000E+01 volume 0.39746E-02 ppm1 2.954 ppm2 2.320 CV 1 ASSI { 1205} (( segid " " and resid 160 and name HG1 )) ( segid " " and resid 130 and name HD2%) 3.000 1.100 1.300 peak 1205 weight 0.10000E+01 volume 0.11684E-02 ppm1 2.172 ppm2 0.007 CV 1 ASSI { 1237} (( segid " " and resid 160 and name HG1 )) (( segid " " and resid 160 and name HA )) 2.600 0.900 1.100 peak 1237 weight 0.10000E+01 volume 0.26931E-02 ppm1 2.180 ppm2 4.540 CV 1 ASSI { 1251} (( segid " " and resid 160 and name HG2 )) (( segid " " and resid 160 and name HG1 )) 2.000 0.500 0.700 peak 1251 weight 0.10000E+01 volume 0.16333E-01 ppm1 2.033 ppm2 2.177 CV 1 ASSI { 1252} (( segid " " and resid 213 and name HB2 )) (( segid " " and resid 209 and name HB )) 2.300 2.300 3.700 peak 1252 weight 0.10000E+01 volume 0.54950E-02 ppm1 2.182 ppm2 2.344 CV 1 ASSI { 1258} (( segid " " and resid 223 and name HG2 )) (( segid " " and resid 223 and name HG1 )) 1.600 0.300 0.800 peak 1258 weight 0.10000E+01 volume 0.45828E-01 ppm1 2.399 ppm2 2.503 CV 1 ASSI { 1249} (( segid " " and resid 160 and name HG1 )) (( segid " " and resid 160 and name HB2 )) 2.500 0.800 1.000 peak 1249 weight 0.10000E+01 volume 0.36705E-02 ppm1 2.180 ppm2 1.717 CV 1 ASSI { 1224} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 139 and name HG12)) 3.200 1.300 1.500 peak 1224 weight 0.10000E+01 volume 0.79057E-03 ppm1 2.463 ppm2 0.765 CV 1 ASSI { 1218} (( segid " " and resid 161 and name HB )) ( segid " " and resid 210 and name HG1%) 3.300 1.300 1.500 peak 1218 weight 0.10000E+01 volume 0.72976E-03 ppm1 2.634 ppm2 1.248 CV 1 ASSI { 1228} (( segid " " and resid 212 and name HG2 )) (( segid " " and resid 211 and name HA )) 3.300 3.300 2.700 peak 1228 weight 0.10000E+01 volume 0.66026E-03 ppm1 2.461 ppm2 3.626 CV 1 OR { 1228} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 211 and name HA )) ASSI { 1281} (( segid " " and resid 186 and name HG1 )) ( segid " " and resid 130 and name HD1%) 3.100 3.100 2.900 peak 1281 weight 0.10000E+01 volume 0.95564E-03 ppm1 2.082 ppm2 0.612 CV 1 ASSI { 1276} (( segid " " and resid 186 and name HG2 )) ( segid " " and resid 182 and name HG2%) 3.100 1.200 1.400 peak 1276 weight 0.10000E+01 volume 0.10773E-02 ppm1 1.655 ppm2 0.299 CV 1 ASSI { 1282} (( segid " " and resid 206 and name HB1 )) ( segid " " and resid 184 and name HD1%) 2.900 1.100 1.300 peak 1282 weight 0.10000E+01 volume 0.15159E-02 ppm1 1.958 ppm2 0.780 CV 1 ASSI { 1262} (( segid " " and resid 186 and name HG1 )) ( segid " " and resid 162 and name HE% ) 2.800 1.000 1.200 peak 1262 weight 0.10000E+01 volume 0.92306E-03 ppm1 2.082 ppm2 6.778 CV 1 ASSI { 1268} (( segid " " and resid 186 and name HG1 )) (( segid " " and resid 186 and name HA )) 2.500 0.800 1.000 peak 1268 weight 0.10000E+01 volume 0.34750E-02 ppm1 2.085 ppm2 4.055 CV 1 ASSI { 1270} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 186 and name HG1 )) 2.000 0.500 0.700 peak 1270 weight 0.10000E+01 volume 0.13010E-01 ppm1 1.659 ppm2 2.074 CV 1 ASSI { 1265} (( segid " " and resid 160 and name HB2 )) (( segid " " and resid 160 and name HA )) 2.500 0.800 1.000 peak 1265 weight 0.10000E+01 volume 0.36271E-02 ppm1 1.729 ppm2 4.542 CV 1 ASSI { 1264} (( segid " " and resid 160 and name HB1 )) (( segid " " and resid 160 and name HA )) 2.500 0.800 1.000 peak 1264 weight 0.10000E+01 volume 0.41918E-02 ppm1 2.001 ppm2 4.543 CV 1 ASSI { 1260} (( segid " " and resid 186 and name HG2 )) ( segid " " and resid 162 and name HE% ) 2.800 1.000 1.200 peak 1260 weight 0.10000E+01 volume 0.83835E-03 ppm1 1.660 ppm2 6.798 CV 1 ASSI { 1289} (( segid " " and resid 160 and name HB2 )) (( segid " " and resid 160 and name HB1 )) 2.000 0.500 0.700 peak 1289 weight 0.10000E+01 volume 0.16050E-01 ppm1 1.724 ppm2 2.006 CV 1 ASSI { 1280} (( segid " " and resid 186 and name HG1 )) ( segid " " and resid 125 and name HD1%) 3.300 1.400 1.600 peak 1280 weight 0.10000E+01 volume 0.65809E-03 ppm1 2.064 ppm2 0.700 CV 1 ASSI { 1261} (( segid " " and resid 186 and name HG2 )) ( segid " " and resid 162 and name HD% ) 3.000 1.200 1.400 peak 1261 weight 0.10000E+01 volume 0.55166E-03 ppm1 1.671 ppm2 6.892 CV 1 ASSI { 1283} (( segid " " and resid 206 and name HB2 )) ( segid " " and resid 184 and name HD1%) 2.800 1.000 1.200 peak 1283 weight 0.10000E+01 volume 0.18461E-02 ppm1 1.638 ppm2 0.784 CV 1 ASSI { 1312} (( segid " " and resid 160 and name HB1 )) ( segid " " and resid 130 and name HD1%) 3.100 1.200 1.400 peak 1312 weight 0.10000E+01 volume 0.96650E-03 ppm1 2.012 ppm2 0.617 CV 1 ASSI { 1310} (( segid " " and resid 213 and name HG2 )) (( segid " " and resid 137 and name HB2 )) 2.800 2.800 3.200 peak 1310 weight 0.10000E+01 volume 0.19504E-02 ppm1 2.484 ppm2 1.763 CV 1 ASSI { 1313} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 139 and name HG12)) 2.900 1.000 1.200 peak 1313 weight 0.10000E+01 volume 0.16854E-02 ppm1 1.736 ppm2 0.775 CV 1 ASSI { 2703} (( segid " " and resid 194 and name HB2 )) (( segid " " and resid 194 and name HA )) 2.400 0.700 0.900 peak 2703 weight 0.10000E+01 volume 0.49085E-02 ppm1 1.863 ppm2 4.385 CV 1 ASSI { 1382} (( segid " " and resid 194 and name HB2 )) (( segid " " and resid 194 and name HG1 )) 2.100 0.600 0.800 peak 1382 weight 0.10000E+01 volume 0.10577E-01 ppm1 1.852 ppm2 1.488 CV 1 ASSI { 1370} (( segid " " and resid 194 and name HB1 )) (( segid " " and resid 194 and name HA )) 2.200 0.600 0.800 peak 1370 weight 0.10000E+01 volume 0.71890E-02 ppm1 2.007 ppm2 4.400 CV 1 ASSI { 1381} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 139 and name HG11)) 2.900 1.000 1.200 peak 1381 weight 0.10000E+01 volume 0.15877E-02 ppm1 1.767 ppm2 0.915 CV 1 ASSI { 1391} (( segid " " and resid 213 and name HG2 )) ( segid " " and resid 213 and name HE% ) 2.000 2.000 4.000 peak 1391 weight 0.10000E+01 volume 0.15529E-01 ppm1 2.490 ppm2 1.946 CV 1 ASSI { 1390} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 205 and name HG2 )) 2.300 0.700 0.900 peak 1390 weight 0.10000E+01 volume 0.55601E-02 ppm1 2.332 ppm2 2.145 CV 1 ASSI { 1365} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HD2 )) 3.000 1.100 1.300 peak 1365 weight 0.10000E+01 volume 0.12575E-02 ppm1 1.762 ppm2 3.936 CV 1 ASSI { 1346} (( segid " " and resid 213 and name HG2 )) (( segid " " and resid 210 and name HA )) 2.800 2.800 3.200 peak 1346 weight 0.10000E+01 volume 0.17571E-02 ppm1 2.488 ppm2 3.650 CV 1 ASSI { 1415} (( segid " " and resid 205 and name HB1 )) ( segid " " and resid 205 and name HE% ) 2.900 1.000 1.200 peak 1415 weight 0.10000E+01 volume 0.16528E-02 ppm1 2.310 ppm2 1.465 CV 1 ASSI { 1364} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 209 and name HA )) 3.200 1.300 1.500 peak 1364 weight 0.10000E+01 volume 0.87962E-03 ppm1 1.772 ppm2 3.803 CV 1 ASSI { 1371} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 212 and name HG1 )) 3.000 1.100 1.300 peak 1371 weight 0.10000E+01 volume 0.12901E-02 ppm1 1.756 ppm2 2.438 CV 1 ASSI { 1324} (( segid " " and resid 205 and name HB1 )) ( segid " " and resid 141 and name HE% ) 2.800 1.000 1.200 peak 1324 weight 0.10000E+01 volume 0.94043E-03 ppm1 2.343 ppm2 6.891 CV 1 ASSI { 1373} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HB1 )) 2.000 0.500 0.700 peak 1373 weight 0.10000E+01 volume 0.14009E-01 ppm1 1.763 ppm2 2.267 CV 1 ASSI { 1335} (( segid " " and resid 213 and name HG1 )) (( segid " " and resid 210 and name HA )) 3.100 1.200 1.400 peak 1335 weight 0.10000E+01 volume 0.95564E-03 ppm1 2.840 ppm2 3.644 CV 1 ASSI { 1340} (( segid " " and resid 213 and name HG1 )) (( segid " " and resid 213 and name HB2 )) 2.600 0.800 1.000 peak 1340 weight 0.10000E+01 volume 0.28887E-02 ppm1 2.840 ppm2 2.166 CV 1 OR { 1340} (( segid " " and resid 213 and name HG1 )) (( segid " " and resid 213 and name HB1 )) ASSI { 1405} (( segid " " and resid 200 and name HB1 )) ( segid " " and resid 203 and name HG2%) 2.800 1.000 1.200 peak 1405 weight 0.10000E+01 volume 0.19895E-02 ppm1 1.898 ppm2 0.904 CV 1 OR { 1405} (( segid " " and resid 200 and name HB2 )) ( segid " " and resid 203 and name HG2%) ASSI { 1378} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 158 and name HG2 )) 2.500 0.800 1.000 peak 1378 weight 0.10000E+01 volume 0.33448E-02 ppm1 1.655 ppm2 1.261 CV 1 ASSI { 1325} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 141 and name HZ )) 2.700 0.900 1.100 peak 1325 weight 0.10000E+01 volume 0.11620E-02 ppm1 2.341 ppm2 6.694 CV 1 ASSI { 1327} (( segid " " and resid 129 and name HG1 )) ( segid " " and resid 163 and name HE% ) 2.900 1.100 1.300 peak 1327 weight 0.10000E+01 volume 0.71890E-03 ppm1 2.231 ppm2 6.472 CV 1 OR { 1327} (( segid " " and resid 129 and name HG2 )) ( segid " " and resid 163 and name HE% ) ASSI { 1322} (( segid " " and resid 205 and name HB1 )) ( segid " " and resid 141 and name HD% ) 2.700 2.700 3.300 peak 1322 weight 0.10000E+01 volume 0.11750E-02 ppm1 2.343 ppm2 7.300 CV 1 ASSI { 1406} (( segid " " and resid 209 and name HB )) ( segid " " and resid 139 and name HD1%) 2.800 2.800 3.200 peak 1406 weight 0.10000E+01 volume 0.18113E-02 ppm1 2.352 ppm2 0.480 CV 1 ASSI { 1336} (( segid " " and resid 213 and name HG1 )) (( segid " " and resid 137 and name HD2 )) 3.300 1.400 1.600 peak 1336 weight 0.10000E+01 volume 0.70370E-03 ppm1 2.836 ppm2 3.956 CV 1 OR { 1336} (( segid " " and resid 213 and name HG1 )) (( segid " " and resid 137 and name HD1 )) ASSI { 1388} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 137 and name HG2 )) 1.900 1.900 4.100 peak 1388 weight 0.10000E+01 volume 0.20155E-01 ppm1 2.308 ppm2 2.016 CV 1 ASSI { 1395} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 129 and name HB1 )) 2.100 0.600 0.800 peak 1395 weight 0.10000E+01 volume 0.96215E-02 ppm1 2.232 ppm2 1.566 CV 1 OR { 1395} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 129 and name HB1 )) ASSI { 1398} (( segid " " and resid 209 and name HB )) ( segid " " and resid 209 and name HG2%) 2.100 0.600 0.800 peak 1398 weight 0.10000E+01 volume 0.97736E-02 ppm1 2.349 ppm2 1.314 CV 1 OR { 1398} (( segid " " and resid 209 and name HB )) ( segid " " and resid 209 and name HG1%) ASSI { 1345} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 158 and name HD2 )) 3.100 1.200 1.400 peak 1345 weight 0.10000E+01 volume 0.97953E-03 ppm1 2.440 ppm2 3.085 CV 1 ASSI { 1339} (( segid " " and resid 213 and name HG1 )) (( segid " " and resid 213 and name HG2 )) 2.300 0.700 0.900 peak 1339 weight 0.10000E+01 volume 0.54080E-02 ppm1 2.840 ppm2 2.504 CV 1 ASSI { 1363} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 182 and name HA )) 2.400 0.700 0.900 peak 1363 weight 0.10000E+01 volume 0.45828E-02 ppm1 1.901 ppm2 3.788 CV 1 OR { 1363} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 182 and name HA )) ASSI { 1358} (( segid " " and resid 176 and name HB )) (( segid " " and resid 214 and name HB2 )) 3.200 1.300 1.500 peak 1358 weight 0.10000E+01 volume 0.82749E-03 ppm1 2.238 ppm2 2.888 CV 1 ASSI { 1414} (( segid " " and resid 213 and name HG2 )) ( segid " " and resid 161 and name HG1%) 3.000 1.100 1.300 peak 1414 weight 0.10000E+01 volume 0.13140E-02 ppm1 2.498 ppm2 0.941 CV 1 ASSI { 1397} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 158 and name HG1 )) 2.500 0.800 1.000 peak 1397 weight 0.10000E+01 volume 0.40181E-02 ppm1 2.440 ppm2 1.511 CV 1 ASSI { 1347} (( segid " " and resid 213 and name HG2 )) (( segid " " and resid 137 and name HD1 )) 3.200 1.300 1.500 peak 1347 weight 0.10000E+01 volume 0.86659E-03 ppm1 2.493 ppm2 3.932 CV 1 ASSI { 1413} (( segid " " and resid 213 and name HG2 )) ( segid " " and resid 209 and name HG1%) 3.000 1.100 1.300 peak 1413 weight 0.10000E+01 volume 0.12250E-02 ppm1 2.503 ppm2 1.303 CV 1 ASSI { 1412} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 158 and name HG2 )) 2.600 0.800 1.000 peak 1412 weight 0.10000E+01 volume 0.29755E-02 ppm1 2.440 ppm2 1.256 CV 1 ASSI { 1389} (( segid " " and resid 213 and name HG2 )) (( segid " " and resid 137 and name HG1 )) 2.200 0.600 0.800 peak 1389 weight 0.10000E+01 volume 0.85790E-02 ppm1 2.498 ppm2 2.094 CV 1 ASSI { 1399} (( segid " " and resid 189 and name HB )) ( segid " " and resid 190 and name HG2%) 2.800 1.000 1.200 peak 1399 weight 0.10000E+01 volume 0.18505E-02 ppm1 2.251 ppm2 1.315 CV 1 ASSI { 1383} (( segid " " and resid 194 and name HB1 )) (( segid " " and resid 194 and name HG1 )) 2.200 0.600 0.800 peak 1383 weight 0.10000E+01 volume 0.89482E-02 ppm1 1.979 ppm2 1.473 CV 1 OR { 1383} (( segid " " and resid 194 and name HB1 )) (( segid " " and resid 194 and name HG2 )) ASSI { 1435} (( segid " " and resid 189 and name HB )) (( segid " " and resid 190 and name HB )) 2.700 2.700 3.300 peak 1435 weight 0.10000E+01 volume 0.25845E-02 ppm1 2.252 ppm2 4.266 CV 1 ASSI { 1420} (( segid " " and resid 204 and name HB2 )) (( segid " " and resid 204 and name HA )) 2.000 0.500 0.700 peak 1420 weight 0.10000E+01 volume 0.12727E-01 ppm1 1.975 ppm2 4.113 CV 1 OR { 1420} (( segid " " and resid 204 and name HB1 )) (( segid " " and resid 204 and name HA )) ASSI { 1422} (( segid " " and resid 203 and name HB )) (( segid " " and resid 200 and name HA )) 2.300 2.300 3.700 peak 1422 weight 0.10000E+01 volume 0.57555E-02 ppm1 2.076 ppm2 4.060 CV 1 ASSI { 1439} (( segid " " and resid 187 and name HB1 )) (( segid " " and resid 158 and name HG1 )) 3.200 1.300 1.500 peak 1439 weight 0.10000E+01 volume 0.77971E-03 ppm1 3.361 ppm2 1.507 CV 1 ASSI { 1438} (( segid " " and resid 187 and name HB1 )) (( segid " " and resid 158 and name HG2 )) 3.100 1.200 1.400 peak 1438 weight 0.10000E+01 volume 0.10273E-02 ppm1 3.361 ppm2 1.247 CV 1 ASSI { 1452} (( segid " " and resid 134 and name HG1 )) (( segid " " and resid 137 and name HD1 )) 3.400 1.400 1.600 peak 1452 weight 0.10000E+01 volume 0.59944E-03 ppm1 2.499 ppm2 3.951 CV 1 OR { 1452} (( segid " " and resid 134 and name HG1 )) (( segid " " and resid 137 and name HD2 )) ASSI { 1444} (( segid " " and resid 187 and name HB1 )) (( segid " " and resid 184 and name HA )) 3.100 3.100 2.900 peak 1444 weight 0.10000E+01 volume 0.10273E-02 ppm1 3.362 ppm2 3.688 CV 1 ASSI { 1442} (( segid " " and resid 187 and name HB2 )) (( segid " " and resid 187 and name HB1 )) 2.200 0.600 0.800 peak 1442 weight 0.10000E+01 volume 0.70587E-02 ppm1 3.199 ppm2 3.337 CV 1 ASSI { 1440} (( segid " " and resid 187 and name HB1 )) (( segid " " and resid 198 and name HB2 )) 3.400 3.400 2.600 peak 1440 weight 0.10000E+01 volume 0.59944E-03 ppm1 3.351 ppm2 2.985 CV 1 ASSI { 1451} (( segid " " and resid 134 and name HG1 )) (( segid " " and resid 134 and name HA )) 2.800 1.000 1.200 peak 1451 weight 0.10000E+01 volume 0.17072E-02 ppm1 2.498 ppm2 4.754 CV 1 ASSI { 1453} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HB1 )) 2.300 0.600 0.800 peak 1453 weight 0.10000E+01 volume 0.67980E-02 ppm1 2.441 ppm2 2.022 CV 1 OR { 1453} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HB2 )) ASSI { 2655} (( segid " " and resid 134 and name HG1 )) (( segid " " and resid 134 and name HB2 )) 2.200 0.600 0.800 peak 2655 weight 0.10000E+01 volume 0.77102E-02 ppm1 2.487 ppm2 2.028 CV 1 OR { 2655} (( segid " " and resid 134 and name HG1 )) (( segid " " and resid 134 and name HB1 )) ASSI { 2654} (( segid " " and resid 134 and name HG1 )) ( segid " " and resid 134 and name HE% ) 2.400 0.700 0.900 peak 2654 weight 0.10000E+01 volume 0.42135E-02 ppm1 2.487 ppm2 2.164 CV 1 ASSI { 1450} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HA )) 3.300 1.000 1.200 peak 1450 weight 0.10000E+01 volume 0.16506E-02 ppm1 2.442 ppm2 4.747 CV 1 ASSI { 1457} (( segid " " and resid 196 and name HB1 )) ( segid " " and resid 191 and name HG2%) 2.600 0.800 1.000 peak 1457 weight 0.10000E+01 volume 0.30406E-02 ppm1 1.628 ppm2 0.988 CV 1 ASSI { 1466} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 196 and name HA )) 2.300 0.700 0.900 peak 1466 weight 0.10000E+01 volume 0.55166E-02 ppm1 1.584 ppm2 4.256 CV 1 ASSI { 1458} (( segid " " and resid 196 and name HB2 )) ( segid " " and resid 191 and name HG2%) 2.700 0.900 1.100 peak 1458 weight 0.10000E+01 volume 0.25628E-02 ppm1 1.584 ppm2 0.983 CV 1 ASSI { 1465} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 196 and name HA )) 2.300 0.700 0.900 peak 1465 weight 0.10000E+01 volume 0.54297E-02 ppm1 1.627 ppm2 4.254 CV 1 ASSI { 1461} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 196 and name HG1 )) 2.400 0.700 0.900 peak 1461 weight 0.10000E+01 volume 0.43221E-02 ppm1 1.624 ppm2 2.085 CV 1 ASSI { 1462} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 196 and name HG1 )) 2.400 0.700 0.900 peak 1462 weight 0.10000E+01 volume 0.43221E-02 ppm1 1.583 ppm2 2.086 CV 1 ASSI { 1459} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 192 and name HA )) 3.000 1.100 1.300 peak 1459 weight 0.10000E+01 volume 0.11924E-02 ppm1 1.587 ppm2 4.375 CV 1 OR { 1459} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 192 and name HA )) ASSI { 1494} (( segid " " and resid 215 and name HG12)) (( segid " " and resid 215 and name HG11)) 2.600 2.600 3.400 peak 1494 weight 0.10000E+01 volume 0.31059E-02 ppm1 0.865 ppm2 2.000 CV 1 ASSI { 1481} (( segid " " and resid 215 and name HG11)) (( segid " " and resid 215 and name HG12)) 2.300 2.300 3.700 peak 1481 weight 0.10000E+01 volume 0.67112E-02 ppm1 1.996 ppm2 0.866 CV 1 OR { 1481} (( segid " " and resid 215 and name HG11)) ( segid " " and resid 215 and name HD1%) ASSI { 1480} (( segid " " and resid 215 and name HG11)) ( segid " " and resid 176 and name HG1%) 2.800 2.800 3.200 peak 1480 weight 0.10000E+01 volume 0.19917E-02 ppm1 1.998 ppm2 1.072 CV 1 ASSI { 1498} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 196 and name HG2 )) 2.400 0.700 0.900 peak 1498 weight 0.10000E+01 volume 0.44958E-02 ppm1 1.617 ppm2 1.966 CV 1 ASSI { 2659} (( segid " " and resid 154 and name HG1 )) ( segid " " and resid 154 and name HE% ) 2.800 1.000 1.200 peak 2659 weight 0.10000E+01 volume 0.19743E-02 ppm1 2.538 ppm2 2.039 CV 1 ASSI { 1470} (( segid " " and resid 196 and name HB1 )) ( segid " " and resid 198 and name HD% ) 2.800 1.000 1.200 peak 1470 weight 0.10000E+01 volume 0.84704E-03 ppm1 1.601 ppm2 7.340 CV 1 ASSI { 1489} (( segid " " and resid 228 and name HB2 )) (( segid " " and resid 228 and name HA )) 2.300 0.600 0.800 peak 1489 weight 0.10000E+01 volume 0.69718E-02 ppm1 1.830 ppm2 4.274 CV 1 OR { 1489} (( segid " " and resid 228 and name HB1 )) (( segid " " and resid 228 and name HA )) ASSI { 1474} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 156 and name HG2 )) 2.800 1.000 1.200 peak 1474 weight 0.10000E+01 volume 0.17549E-02 ppm1 1.395 ppm2 0.292 CV 1 ASSI { 1486} (( segid " " and resid 228 and name HB1 )) (( segid " " and resid 228 and name HD1 )) 2.400 0.700 0.900 peak 1486 weight 0.10000E+01 volume 0.53429E-02 ppm1 1.859 ppm2 3.156 CV 1 ASSI { 1500} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 165 and name HG2 )) 2.500 0.800 1.000 peak 1500 weight 0.10000E+01 volume 0.40397E-02 ppm1 1.638 ppm2 1.820 CV 1 OR { 1500} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 165 and name HG2 )) ASSI { 1490} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 156 and name HA )) 2.900 1.100 1.300 peak 1490 weight 0.10000E+01 volume 0.14747E-02 ppm1 1.396 ppm2 4.148 CV 1 ASSI { 1479} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 156 and name HB2 )) 2.400 0.700 0.900 peak 1479 weight 0.10000E+01 volume 0.42569E-02 ppm1 2.128 ppm2 1.386 CV 1 ASSI { 1471} (( segid " " and resid 208 and name HB1 )) ( segid " " and resid 141 and name HD% ) 2.800 2.800 3.200 peak 1471 weight 0.10000E+01 volume 0.86224E-03 ppm1 2.121 ppm2 7.360 CV 1 ASSI { 1469} (( segid " " and resid 146 and name HB2 )) ( segid " " and resid 141 and name HD% ) 2.800 1.000 1.200 peak 1469 weight 0.10000E+01 volume 0.86224E-03 ppm1 1.574 ppm2 7.353 CV 1 ASSI { 1492} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 156 and name HD2 )) 2.900 1.000 1.200 peak 1492 weight 0.10000E+01 volume 0.15964E-02 ppm1 1.397 ppm2 3.104 CV 1 ASSI { 1485} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 157 and name HB2 )) 3.100 1.200 1.400 peak 1485 weight 0.10000E+01 volume 0.11099E-02 ppm1 2.141 ppm2 3.102 CV 1 OR { 1485} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 157 and name HB1 )) ASSI { 2657} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 154 and name HE% ) 3.100 1.200 1.400 peak 2657 weight 0.10000E+01 volume 0.95998E-03 ppm1 1.338 ppm2 2.029 CV 1 ASSI { 1546} (( segid " " and resid 184 and name HG11)) (( segid " " and resid 184 and name HA )) 2.700 0.900 1.100 peak 1546 weight 0.10000E+01 volume 0.23456E-02 ppm1 1.143 ppm2 3.697 CV 1 ASSI { 1541} (( segid " " and resid 184 and name HG11)) (( segid " " and resid 206 and name HB2 )) 3.100 1.200 1.400 peak 1541 weight 0.10000E+01 volume 0.93392E-03 ppm1 1.143 ppm2 1.655 CV 1 OR { 1541} (( segid " " and resid 184 and name HG11)) (( segid " " and resid 206 and name HG2 )) ASSI { 1570} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 220 and name HD2 )) 3.000 0.900 1.100 peak 1570 weight 0.10000E+01 volume 0.27583E-02 ppm1 1.853 ppm2 2.951 CV 1 ASSI { 1553} (( segid " " and resid 220 and name HB1 )) (( segid " " and resid 217 and name HA )) 2.700 0.900 1.100 peak 1553 weight 0.10000E+01 volume 0.24542E-02 ppm1 1.972 ppm2 3.655 CV 1 ASSI { 1507} (( segid " " and resid 146 and name HB1 )) ( segid " " and resid 141 and name HD% ) 2.900 1.000 1.200 peak 1507 weight 0.10000E+01 volume 0.73845E-03 ppm1 1.982 ppm2 7.335 CV 1 ASSI { 1539} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HB1 )) 2.400 0.700 0.900 peak 1539 weight 0.10000E+01 volume 0.43004E-02 ppm1 1.345 ppm2 1.670 CV 1 ASSI { 1569} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 141 and name HB2 )) 3.100 1.200 1.400 peak 1569 weight 0.10000E+01 volume 0.11033E-02 ppm1 1.978 ppm2 2.820 CV 1 ASSI { 1571} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 157 and name HB2 )) 3.200 1.300 1.500 peak 1571 weight 0.10000E+01 volume 0.88831E-03 ppm1 1.664 ppm2 3.123 CV 1 ASSI { 1506} (( segid " " and resid 154 and name HB1 )) ( segid " " and resid 150 and name HE% ) 3.400 1.000 1.200 peak 1506 weight 0.10000E+01 volume 0.76668E-03 ppm1 1.662 ppm2 6.993 CV 1 ASSI { 1554} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 220 and name HA )) 2.400 0.700 0.900 peak 1554 weight 0.10000E+01 volume 0.53646E-02 ppm1 1.856 ppm2 4.014 CV 1 ASSI { 1530} (( segid " " and resid 208 and name HB2 )) ( segid " " and resid 209 and name HG2%) 3.000 1.100 1.300 peak 1530 weight 0.10000E+01 volume 0.12792E-02 ppm1 1.972 ppm2 1.285 CV 1 ASSI { 1560} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HA )) 2.800 1.000 1.200 peak 1560 weight 0.10000E+01 volume 0.19765E-02 ppm1 1.572 ppm2 3.591 CV 1 ASSI { 1561} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 141 and name HB1 )) 3.100 1.200 1.400 peak 1561 weight 0.10000E+01 volume 0.98822E-03 ppm1 1.589 ppm2 3.377 CV 1 ASSI { 1505} (( segid " " and resid 154 and name HB1 )) ( segid " " and resid 157 and name HD% ) 2.700 2.700 3.300 peak 1505 weight 0.10000E+01 volume 0.10338E-02 ppm1 1.661 ppm2 6.898 CV 1 ASSI { 1559} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 165 and name HD1 )) 3.000 1.100 1.300 peak 1559 weight 0.10000E+01 volume 0.12901E-02 ppm1 1.656 ppm2 3.625 CV 1 OR { 1559} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 165 and name HD1 )) ASSI { 1572} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 141 and name HB2 )) 3.000 1.100 1.300 peak 1572 weight 0.10000E+01 volume 0.13379E-02 ppm1 1.578 ppm2 2.842 CV 1 ASSI { 1531} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 146 and name HB2 )) 2.200 0.600 0.800 peak 1531 weight 0.10000E+01 volume 0.76451E-02 ppm1 1.976 ppm2 1.600 CV 1 ASSI { 1533} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 146 and name HG1 )) 2.500 0.800 1.000 peak 1533 weight 0.10000E+01 volume 0.37357E-02 ppm1 1.973 ppm2 2.268 CV 1 ASSI { 1511} (( segid " " and resid 208 and name HB1 )) ( segid " " and resid 141 and name HE% ) 2.800 1.000 1.200 peak 1511 weight 0.10000E+01 volume 0.95781E-03 ppm1 2.129 ppm2 6.906 CV 1 ASSI { 1509} (( segid " " and resid 146 and name HB1 )) ( segid " " and resid 145 and name HE% ) 3.000 3.000 3.000 peak 1509 weight 0.10000E+01 volume 0.54950E-03 ppm1 1.987 ppm2 6.768 CV 1 ASSI { 1508} (( segid " " and resid 208 and name HB2 )) ( segid " " and resid 141 and name HE% ) 2.700 0.900 1.100 peak 1508 weight 0.10000E+01 volume 0.10382E-02 ppm1 1.968 ppm2 6.909 CV 1 ASSI { 1566} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 151 and name HD2 )) 2.800 1.000 1.200 peak 1566 weight 0.10000E+01 volume 0.17224E-02 ppm1 2.091 ppm2 3.287 CV 1 ASSI { 1573} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 164 and name HG2 )) 2.600 0.800 1.000 peak 1573 weight 0.10000E+01 volume 0.31710E-02 ppm1 1.665 ppm2 1.170 CV 1 OR { 1573} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 164 and name HG1 )) OR { 1573} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 164 and name HG2 )) ASSI { 1591} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 151 and name HD1 )) 3.100 1.200 1.400 peak 1591 weight 0.10000E+01 volume 0.11011E-02 ppm1 2.098 ppm2 3.403 CV 1 ASSI { 1595} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 148 and name HA )) 2.500 2.500 3.500 peak 1595 weight 0.10000E+01 volume 0.34534E-02 ppm1 2.097 ppm2 3.994 CV 1 ASSI { 1590} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 157 and name HB1 )) 2.700 2.700 3.300 peak 1590 weight 0.10000E+01 volume 0.21436E-02 ppm1 1.749 ppm2 3.149 CV 1 OR { 1590} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 157 and name HB2 )) ASSI { 1577} (( segid " " and resid 140 and name HB1 )) ( segid " " and resid 141 and name HD% ) 2.800 2.800 3.200 peak 1577 weight 0.10000E+01 volume 0.94478E-03 ppm1 3.328 ppm2 7.359 CV 1 ASSI { 2638} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HD2 )) 3.000 1.100 1.300 peak 2638 weight 0.10000E+01 volume 0.58641E-03 ppm1 2.963 ppm2 7.248 CV 1 ASSI { 1586} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HB1 )) 2.000 0.500 0.700 peak 1586 weight 0.10000E+01 volume 0.12359E-01 ppm1 2.954 ppm2 3.328 CV 1 ASSI { 2637} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 140 and name HD2 )) 2.600 0.900 1.100 peak 2637 weight 0.10000E+01 volume 0.13400E-02 ppm1 3.324 ppm2 7.248 CV 1 ASSI { 1613} (( segid " " and resid 211 and name HB2 )) ( segid " " and resid 215 and name HD1%) 3.100 1.200 1.400 peak 1613 weight 0.10000E+01 volume 0.10491E-02 ppm1 2.146 ppm2 0.860 CV 1 ASSI { 1614} (( segid " " and resid 211 and name HB2 )) ( segid " " and resid 180 and name HG1%) 2.600 0.900 1.100 peak 1614 weight 0.10000E+01 volume 0.26714E-02 ppm1 2.156 ppm2 1.082 CV 1 ASSI { 1639} (( segid " " and resid 185 and name HD1 )) (( segid " " and resid 185 and name HB1 )) 2.400 0.700 0.900 peak 1639 weight 0.10000E+01 volume 0.49085E-02 ppm1 1.625 ppm2 1.920 CV 1 OR { 1639} (( segid " " and resid 185 and name HD1 )) (( segid " " and resid 185 and name HB2 )) OR { 1639} (( segid " " and resid 185 and name HD2 )) (( segid " " and resid 185 and name HB2 )) ASSI { 1633} (( segid " " and resid 185 and name HD2 )) (( segid " " and resid 185 and name HA )) 2.700 2.700 3.300 peak 1633 weight 0.10000E+01 volume 0.23456E-02 ppm1 1.633 ppm2 4.066 CV 1 OR { 1633} (( segid " " and resid 185 and name HD1 )) (( segid " " and resid 185 and name HA )) ASSI { 1615} (( segid " " and resid 211 and name HB1 )) ( segid " " and resid 180 and name HG1%) 2.600 0.800 1.000 peak 1615 weight 0.10000E+01 volume 0.32578E-02 ppm1 2.250 ppm2 1.087 CV 1 ASSI { 1636} (( segid " " and resid 185 and name HD1 )) (( segid " " and resid 185 and name HE2 )) 2.200 0.600 0.800 peak 1636 weight 0.10000E+01 volume 0.87528E-02 ppm1 1.622 ppm2 2.919 CV 1 OR { 1636} (( segid " " and resid 185 and name HD2 )) (( segid " " and resid 185 and name HE1 )) OR { 1636} (( segid " " and resid 185 and name HD1 )) (( segid " " and resid 185 and name HE1 )) ASSI { 1645} (( segid " " and resid 200 and name HD2 )) (( segid " " and resid 200 and name HG1 )) 1.600 1.600 4.400 peak 1645 weight 0.10000E+01 volume 0.60596E-01 ppm1 1.712 ppm2 1.507 CV 1 OR { 1645} (( segid " " and resid 200 and name HD1 )) (( segid " " and resid 200 and name HG1 )) ASSI { 1620} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 204 and name HD1 )) 2.400 2.400 3.600 peak 1620 weight 0.10000E+01 volume 0.49954E-02 ppm1 2.222 ppm2 1.692 CV 1 OR { 1620} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 204 and name HD2 )) ASSI { 1642} (( segid " " and resid 204 and name HD2 )) ( segid " " and resid 201 and name HG2%) 2.800 1.000 1.200 peak 1642 weight 0.10000E+01 volume 0.17245E-02 ppm1 1.710 ppm2 0.732 CV 1 ASSI { 1652} (( segid " " and resid 185 and name HD1 )) (( segid " " and resid 182 and name HA )) 3.100 1.200 1.400 peak 1652 weight 0.10000E+01 volume 0.10273E-02 ppm1 1.641 ppm2 3.780 CV 1 ASSI { 1618} (( segid " " and resid 221 and name HB1 )) ( segid " " and resid 224 and name HB% ) 2.900 2.900 3.100 peak 1618 weight 0.10000E+01 volume 0.15442E-02 ppm1 2.070 ppm2 1.436 CV 1 ASSI { 1631} (( segid " " and resid 204 and name HD2 )) (( segid " " and resid 205 and name HA )) 2.600 0.900 1.100 peak 1631 weight 0.10000E+01 volume 0.28669E-02 ppm1 1.728 ppm2 4.188 CV 1 OR { 1631} (( segid " " and resid 204 and name HD1 )) (( segid " " and resid 205 and name HA )) ASSI { 1611} (( segid " " and resid 211 and name HB1 )) ( segid " " and resid 180 and name HG2%) 2.800 1.000 1.200 peak 1611 weight 0.10000E+01 volume 0.17527E-02 ppm1 2.232 ppm2 0.955 CV 1 ASSI { 1617} (( segid " " and resid 207 and name HB2 )) ( segid " " and resid 184 and name HD1%) 3.000 1.100 1.300 peak 1617 weight 0.10000E+01 volume 0.12228E-02 ppm1 2.006 ppm2 0.786 CV 1 ASSI { 1612} (( segid " " and resid 207 and name HB1 )) ( segid " " and resid 184 and name HD1%) 2.900 1.100 1.300 peak 1612 weight 0.10000E+01 volume 0.14139E-02 ppm1 2.230 ppm2 0.795 CV 1 ASSI { 1692} (( segid " " and resid 227 and name HB2 )) (( segid " " and resid 227 and name HA )) 2.300 0.600 0.800 peak 1692 weight 0.10000E+01 volume 0.64723E-02 ppm1 2.066 ppm2 4.241 CV 1 ASSI { 1674} (( segid " " and resid 151 and name HG2 )) ( segid " " and resid 138 and name HG2%) 3.300 1.400 1.600 peak 1674 weight 0.10000E+01 volume 0.67546E-03 ppm1 1.751 ppm2 0.747 CV 1 ASSI { 1678} (( segid " " and resid 223 and name HB2 )) ( segid " " and resid 224 and name HB% ) 3.100 1.300 1.300 peak 1678 weight 0.10000E+01 volume 0.14878E-02 ppm1 2.125 ppm2 1.432 CV 1 OR { 1678} (( segid " " and resid 223 and name HB1 )) ( segid " " and resid 224 and name HB% ) ASSI { 1661} (( segid " " and resid 219 and name HB1 )) ( segid " " and resid 215 and name HG2%) 3.400 3.400 2.600 peak 1661 weight 0.10000E+01 volume 0.59511E-03 ppm1 2.375 ppm2 0.885 CV 1 ASSI { 1681} (( segid " " and resid 219 and name HB2 )) (( segid " " and resid 219 and name HB1 )) 1.800 0.400 0.600 peak 1681 weight 0.10000E+01 volume 0.26498E-01 ppm1 2.083 ppm2 2.376 CV 1 ASSI { 1662} (( segid " " and resid 219 and name HB1 )) ( segid " " and resid 216 and name HG2%) 3.200 3.200 2.800 peak 1662 weight 0.10000E+01 volume 0.88396E-03 ppm1 2.369 ppm2 1.240 CV 1 ASSI { 1677} (( segid " " and resid 219 and name HB2 )) ( segid " " and resid 216 and name HG2%) 3.100 1.200 1.400 peak 1677 weight 0.10000E+01 volume 0.10446E-02 ppm1 2.085 ppm2 1.240 CV 1 ASSI { 1666} (( segid " " and resid 219 and name HB1 )) (( segid " " and resid 219 and name HA )) 2.500 0.800 1.000 peak 1666 weight 0.10000E+01 volume 0.37574E-02 ppm1 2.372 ppm2 3.762 CV 1 ASSI { 1665} (( segid " " and resid 219 and name HB1 )) (( segid " " and resid 223 and name HG1 )) 2.800 2.800 3.200 peak 1665 weight 0.10000E+01 volume 0.17723E-02 ppm1 2.371 ppm2 2.491 CV 1 ASSI { 1664} (( segid " " and resid 219 and name HB1 )) (( segid " " and resid 219 and name HG1 )) 2.300 0.700 0.900 peak 1664 weight 0.10000E+01 volume 0.56252E-02 ppm1 2.371 ppm2 2.630 CV 1 ASSI { 1680} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 151 and name HG1 )) 1.900 0.400 0.600 peak 1680 weight 0.10000E+01 volume 0.20112E-01 ppm1 1.756 ppm2 2.047 CV 1 ASSI { 1675} (( segid " " and resid 186 and name HB2 )) ( segid " " and resid 190 and name HG2%) 3.000 3.000 3.000 peak 1675 weight 0.10000E+01 volume 0.11663E-02 ppm1 1.905 ppm2 1.315 CV 1 ASSI { 1690} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HD1 )) 2.600 0.900 1.100 peak 1690 weight 0.10000E+01 volume 0.27366E-02 ppm1 2.051 ppm2 3.391 CV 1 ASSI { 1693} (( segid " " and resid 223 and name HB1 )) (( segid " " and resid 223 and name HA )) 2.000 0.500 0.700 peak 1693 weight 0.10000E+01 volume 0.14443E-01 ppm1 2.128 ppm2 4.138 CV 1 OR { 1693} (( segid " " and resid 223 and name HB2 )) (( segid " " and resid 223 and name HA )) ASSI { 1669} (( segid " " and resid 151 and name HG1 )) ( segid " " and resid 138 and name HG2%) 3.200 1.300 1.500 peak 1669 weight 0.10000E+01 volume 0.90351E-03 ppm1 2.063 ppm2 0.759 CV 1 ASSI { 1695} (( segid " " and resid 223 and name HB2 )) (( segid " " and resid 222 and name HB1 )) 2.600 2.600 3.400 peak 1695 weight 0.10000E+01 volume 0.32796E-02 ppm1 2.104 ppm2 3.657 CV 1 OR { 1695} (( segid " " and resid 223 and name HB1 )) (( segid " " and resid 222 and name HB1 )) ASSI { 1701} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 162 and name HD% ) 3.000 3.000 3.000 peak 1701 weight 0.10000E+01 volume 0.58641E-03 ppm1 1.999 ppm2 6.901 CV 1 ASSI { 1702} (( segid " " and resid 186 and name HB2 )) ( segid " " and resid 162 and name HD% ) 2.900 1.100 1.300 peak 1702 weight 0.10000E+01 volume 0.70370E-03 ppm1 1.909 ppm2 6.889 CV 1 ASSI { 1732} (( segid " " and resid 186 and name HB1 )) (( segid " " and resid 186 and name HA )) 2.400 0.700 0.900 peak 1732 weight 0.10000E+01 volume 0.45393E-02 ppm1 1.993 ppm2 4.052 CV 1 ASSI { 1721} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 182 and name HG2%) 3.400 1.500 1.700 peak 1721 weight 0.10000E+01 volume 0.55601E-03 ppm1 1.991 ppm2 0.302 CV 1 ASSI { 1724} (( segid " " and resid 212 and name HB2 )) (( segid " " and resid 212 and name HG1 )) 2.100 0.500 0.700 peak 1724 weight 0.10000E+01 volume 0.10816E-01 ppm1 2.155 ppm2 2.460 CV 1 ASSI { 1715} (( segid " " and resid 212 and name HB1 )) ( segid " " and resid 209 and name HG1%) 3.300 3.300 2.700 peak 1715 weight 0.10000E+01 volume 0.69066E-03 ppm1 2.232 ppm2 1.323 CV 1 OR { 1715} (( segid " " and resid 212 and name HB1 )) ( segid " " and resid 209 and name HG2%) ASSI { 1736} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 137 and name HA )) 3.400 1.500 1.700 peak 1736 weight 0.10000E+01 volume 0.57772E-03 ppm1 2.241 ppm2 4.427 CV 1 ASSI { 1714} (( segid " " and resid 212 and name HB2 )) ( segid " " and resid 209 and name HG1%) 3.200 1.300 1.500 peak 1714 weight 0.10000E+01 volume 0.87962E-03 ppm1 2.156 ppm2 1.324 CV 1 OR { 1714} (( segid " " and resid 212 and name HB2 )) ( segid " " and resid 209 and name HG2%) ASSI { 1742} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HB2 )) 1.900 0.500 0.700 peak 1742 weight 0.10000E+01 volume 0.16528E-01 ppm1 1.758 ppm2 1.923 CV 1 OR { 1742} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HB1 )) ASSI { 1730} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 209 and name HA )) 2.900 2.900 3.100 peak 1730 weight 0.10000E+01 volume 0.15616E-02 ppm1 2.237 ppm2 3.846 CV 1 ASSI { 1719} (( segid " " and resid 212 and name HB1 )) ( segid " " and resid 139 and name HD1%) 3.000 1.100 1.300 peak 1719 weight 0.10000E+01 volume 0.13445E-02 ppm1 2.231 ppm2 0.489 CV 1 ASSI { 1743} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 212 and name HG1 )) 2.100 0.500 0.700 peak 1743 weight 0.10000E+01 volume 0.10707E-01 ppm1 2.233 ppm2 2.458 CV 1 OR { 1743} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 212 and name HG2 )) ASSI { 1729} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 212 and name HA )) 2.400 0.700 0.900 peak 1729 weight 0.10000E+01 volume 0.43004E-02 ppm1 2.233 ppm2 3.995 CV 1 ASSI { 1720} (( segid " " and resid 212 and name HB2 )) ( segid " " and resid 139 and name HD1%) 2.900 1.000 1.200 peak 1720 weight 0.10000E+01 volume 0.15660E-02 ppm1 2.160 ppm2 0.489 CV 1 ASSI { 1705} (( segid " " and resid 182 and name HG11)) ( segid " " and resid 162 and name HD% ) 3.000 3.000 3.000 peak 1705 weight 0.10000E+01 volume 0.59076E-03 ppm1 0.902 ppm2 6.907 CV 1 OR { 1705} (( segid " " and resid 182 and name HG12)) ( segid " " and resid 162 and name HD% ) ASSI { 1740} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB2 )) 2.100 0.600 0.800 peak 1740 weight 0.10000E+01 volume 0.92089E-02 ppm1 1.549 ppm2 1.912 CV 1 OR { 1740} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HB1 )) ASSI { 1771} (( segid " " and resid 164 and name HG1 )) ( segid " " and resid 182 and name HD1%) 3.300 3.300 2.700 peak 1771 weight 0.10000E+01 volume 0.69718E-03 ppm1 1.167 ppm2 0.431 CV 1 OR { 1771} (( segid " " and resid 164 and name HG2 )) ( segid " " and resid 182 and name HD1%) ASSI { 1766} (( segid " " and resid 164 and name HG1 )) (( segid " " and resid 165 and name HD2 )) 3.400 1.400 1.600 peak 1766 weight 0.10000E+01 volume 0.61682E-03 ppm1 1.175 ppm2 3.528 CV 1 ASSI { 1780} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 190 and name HG2%) 2.600 0.900 1.100 peak 1780 weight 0.10000E+01 volume 0.28669E-02 ppm1 1.983 ppm2 1.321 CV 1 ASSI { 1745} (( segid " " and resid 164 and name HG1 )) ( segid " " and resid 128 and name HE% ) 2.800 1.000 1.200 peak 1745 weight 0.10000E+01 volume 0.96215E-03 ppm1 1.160 ppm2 6.696 CV 1 OR { 1745} (( segid " " and resid 164 and name HG2 )) ( segid " " and resid 128 and name HE% ) ASSI { 1779} (( segid " " and resid 137 and name HG2 )) ( segid " " and resid 139 and name HD1%) 3.000 1.100 1.300 peak 1779 weight 0.10000E+01 volume 0.12727E-02 ppm1 2.042 ppm2 0.488 CV 1 OR { 1779} (( segid " " and resid 137 and name HG1 )) ( segid " " and resid 139 and name HD1%) ASSI { 1748} (( segid " " and resid 164 and name HG1 )) ( segid " " and resid 128 and name HD% ) 3.000 1.100 1.300 peak 1748 weight 0.10000E+01 volume 0.63202E-03 ppm1 1.161 ppm2 6.884 CV 1 OR { 1748} (( segid " " and resid 164 and name HG2 )) ( segid " " and resid 128 and name HD% ) ASSI { 1752} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name HB1 )) 3.000 1.100 1.300 peak 1752 weight 0.10000E+01 volume 0.12618E-02 ppm1 0.291 ppm2 2.119 CV 1 ASSI { 1805} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 151 and name HG1 )) 3.000 3.000 3.000 peak 1805 weight 0.10000E+01 volume 0.11532E-02 ppm1 1.566 ppm2 2.080 CV 1 OR { 1805} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 151 and name HB1 )) ASSI { 1787} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 158 and name HD1 )) 2.600 0.900 1.100 peak 1787 weight 0.10000E+01 volume 0.26498E-02 ppm1 1.249 ppm2 3.185 CV 1 ASSI { 1801} (( segid " " and resid 158 and name HG1 )) (( segid " " and resid 158 and name HD2 )) 2.600 0.900 1.100 peak 1801 weight 0.10000E+01 volume 0.27149E-02 ppm1 1.533 ppm2 3.091 CV 1 ASSI { 1809} (( segid " " and resid 158 and name HG1 )) (( segid " " and resid 158 and name HG2 )) 2.200 0.600 0.800 peak 1809 weight 0.10000E+01 volume 0.72107E-02 ppm1 1.532 ppm2 1.248 CV 1 ASSI { 1803} (( segid " " and resid 156 and name HG1 )) (( segid " " and resid 156 and name HB1 )) 2.700 0.900 1.100 peak 1803 weight 0.10000E+01 volume 0.21198E-02 ppm1 1.393 ppm2 2.111 CV 1 ASSI { 1810} (( segid " " and resid 220 and name HG2 )) ( segid " " and resid 216 and name HG2%) 2.600 0.900 1.100 peak 1810 weight 0.10000E+01 volume 0.26498E-02 ppm1 1.611 ppm2 1.269 CV 1 ASSI { 1775} (( segid " " and resid 158 and name HG1 )) ( segid " " and resid 191 and name HG2%) 2.600 0.800 1.000 peak 1775 weight 0.10000E+01 volume 0.32578E-02 ppm1 1.532 ppm2 0.958 CV 1 ASSI { 1773} (( segid " " and resid 138 and name HG12)) ( segid " " and resid 138 and name HG2%) 2.500 0.800 1.000 peak 1773 weight 0.10000E+01 volume 0.40181E-02 ppm1 1.401 ppm2 0.747 CV 1 ASSI { 1799} (( segid " " and resid 228 and name HG1 )) (( segid " " and resid 228 and name HD2 )) 2.300 0.700 0.900 peak 1799 weight 0.10000E+01 volume 0.60162E-02 ppm1 1.702 ppm2 3.162 CV 1 OR { 1799} (( segid " " and resid 228 and name HG1 )) (( segid " " and resid 228 and name HD1 )) ASSI { 1794} (( segid " " and resid 228 and name HG2 )) (( segid " " and resid 228 and name HA )) 2.500 0.800 1.000 peak 1794 weight 0.10000E+01 volume 0.36053E-02 ppm1 1.640 ppm2 4.271 CV 1 ASSI { 1806} (( segid " " and resid 228 and name HG1 )) (( segid " " and resid 228 and name HB2 )) 1.800 1.800 4.200 peak 1806 weight 0.10000E+01 volume 0.23674E-01 ppm1 1.700 ppm2 1.842 CV 1 ASSI { 1793} (( segid " " and resid 228 and name HG1 )) (( segid " " and resid 228 and name HA )) 2.800 0.800 1.000 peak 1793 weight 0.10000E+01 volume 0.29755E-02 ppm1 1.701 ppm2 4.277 CV 1 ASSI { 1800} (( segid " " and resid 228 and name HG2 )) (( segid " " and resid 228 and name HD1 )) 2.300 0.700 0.900 peak 1800 weight 0.10000E+01 volume 0.61248E-02 ppm1 1.638 ppm2 3.157 CV 1 OR { 1800} (( segid " " and resid 228 and name HG2 )) (( segid " " and resid 228 and name HD2 )) ASSI { 1845} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 217 and name HA )) 3.000 3.000 3.000 peak 1845 weight 0.10000E+01 volume 0.12923E-02 ppm1 1.855 ppm2 3.671 CV 1 ASSI { 1862} (( segid " " and resid 125 and name HG )) ( segid " " and resid 125 and name HD1%) 2.400 0.700 0.900 peak 1862 weight 0.10000E+01 volume 0.49954E-02 ppm1 1.521 ppm2 0.704 CV 1 ASSI { 1857} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 220 and name HB1 )) 2.100 2.100 3.900 peak 1857 weight 0.10000E+01 volume 0.11099E-01 ppm1 1.842 ppm2 1.961 CV 1 ASSI { 1852} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 220 and name HD2 )) 2.500 0.800 1.000 peak 1852 weight 0.10000E+01 volume 0.38225E-02 ppm1 1.857 ppm2 2.953 CV 1 ASSI { 1863} (( segid " " and resid 125 and name HG )) ( segid " " and resid 130 and name HD1%) 2.400 2.400 3.600 peak 1863 weight 0.10000E+01 volume 0.47347E-02 ppm1 1.520 ppm2 0.603 CV 1 ASSI { 1850} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 220 and name HD1 )) 2.500 0.800 1.000 peak 1850 weight 0.10000E+01 volume 0.39963E-02 ppm1 1.852 ppm2 3.116 CV 1 ASSI { 1855} (( segid " " and resid 208 and name HG2 )) (( segid " " and resid 208 and name HB1 )) 2.300 0.700 0.900 peak 1855 weight 0.10000E+01 volume 0.61682E-02 ppm1 1.776 ppm2 2.115 CV 1 ASSI { 1856} (( segid " " and resid 208 and name HG1 )) (( segid " " and resid 208 and name HB1 )) 2.200 0.600 0.800 peak 1856 weight 0.10000E+01 volume 0.69935E-02 ppm1 1.834 ppm2 2.118 CV 1 ASSI { 1849} (( segid " " and resid 208 and name HG1 )) (( segid " " and resid 208 and name HD1 )) 2.500 0.800 1.000 peak 1849 weight 0.10000E+01 volume 0.35620E-02 ppm1 1.829 ppm2 3.274 CV 1 ASSI { 1851} (( segid " " and resid 208 and name HG1 )) (( segid " " and resid 208 and name HD2 )) 2.500 0.800 1.000 peak 1851 weight 0.10000E+01 volume 0.41049E-02 ppm1 1.830 ppm2 3.163 CV 1 ASSI { 1824} (( segid " " and resid 208 and name HG1 )) ( segid " " and resid 141 and name HE% ) 2.600 0.800 1.000 peak 1824 weight 0.10000E+01 volume 0.14530E-02 ppm1 1.830 ppm2 6.904 CV 1 ASSI { 1844} (( segid " " and resid 208 and name HG1 )) (( segid " " and resid 205 and name HA )) 3.000 1.100 1.300 peak 1844 weight 0.10000E+01 volume 0.13357E-02 ppm1 1.837 ppm2 4.161 CV 1 ASSI { 1843} (( segid " " and resid 208 and name HG1 )) (( segid " " and resid 208 and name HA )) 2.600 2.600 3.400 peak 1843 weight 0.10000E+01 volume 0.32361E-02 ppm1 1.832 ppm2 4.247 CV 1 ASSI { 1860} (( segid " " and resid 208 and name HG1 )) ( segid " " and resid 139 and name HD1%) 2.900 2.900 3.100 peak 1860 weight 0.10000E+01 volume 0.14400E-02 ppm1 1.828 ppm2 0.487 CV 1 ASSI { 1825} (( segid " " and resid 208 and name HG2 )) ( segid " " and resid 141 and name HE% ) 2.700 0.900 1.100 peak 1825 weight 0.10000E+01 volume 0.12380E-02 ppm1 1.778 ppm2 6.909 CV 1 ASSI { 1826} (( segid " " and resid 139 and name HG11)) ( segid " " and resid 141 and name HE% ) 3.000 1.200 1.400 peak 1826 weight 0.10000E+01 volume 0.55601E-03 ppm1 0.922 ppm2 6.904 CV 1 ASSI { 1861} (( segid " " and resid 208 and name HG2 )) ( segid " " and resid 139 and name HD1%) 3.000 3.000 3.000 peak 1861 weight 0.10000E+01 volume 0.12033E-02 ppm1 1.772 ppm2 0.483 CV 1 ASSI { 1838} (( segid " " and resid 139 and name HG11)) (( segid " " and resid 139 and name HA )) 3.200 1.000 1.200 peak 1838 weight 0.10000E+01 volume 0.18570E-02 ppm1 0.921 ppm2 3.936 CV 1 ASSI { 1830} (( segid " " and resid 139 and name HG11)) ( segid " " and resid 139 and name HG2%) 2.500 0.800 1.000 peak 1830 weight 0.10000E+01 volume 0.35402E-02 ppm1 0.920 ppm2 -0.028 CV 1 ASSI { 1829} (( segid " " and resid 139 and name HG12)) ( segid " " and resid 139 and name HG2%) 2.500 0.800 1.000 peak 1829 weight 0.10000E+01 volume 0.37357E-02 ppm1 0.787 ppm2 -0.026 CV 1 ASSI { 1834} (( segid " " and resid 139 and name HG12)) ( segid " " and resid 209 and name HG2%) 3.200 1.200 1.400 peak 1834 weight 0.10000E+01 volume 0.91437E-03 ppm1 0.790 ppm2 1.317 CV 1 ASSI { 1873} (( segid " " and resid 139 and name HG12)) (( segid " " and resid 208 and name HB2 )) 3.400 3.400 2.600 peak 1873 weight 0.10000E+01 volume 0.64072E-03 ppm1 0.788 ppm2 1.983 CV 1 ASSI { 1870} (( segid " " and resid 139 and name HG11)) ( segid " " and resid 209 and name HG1%) 3.000 1.100 1.300 peak 1870 weight 0.10000E+01 volume 0.12206E-02 ppm1 0.922 ppm2 1.335 CV 1 ASSI { 1872} (( segid " " and resid 139 and name HG11)) (( segid " " and resid 208 and name HB2 )) 3.300 1.400 1.600 peak 1872 weight 0.10000E+01 volume 0.70370E-03 ppm1 0.914 ppm2 1.962 CV 1 ASSI { 1875} ( segid " " and resid 130 and name HD1%) ( segid " " and resid 162 and name HD% ) 2.800 1.000 1.200 peak 1875 weight 0.10000E+01 volume 0.92523E-03 ppm1 0.620 ppm2 6.890 CV 1 ASSI { 1881} ( segid " " and resid 130 and name HD1%) ( segid " " and resid 130 and name HD2%) 1.900 0.500 0.700 peak 1881 weight 0.10000E+01 volume 0.18983E-01 ppm1 0.622 ppm2 0.016 CV 1 ASSI { 1876} ( segid " " and resid 130 and name HD1%) ( segid " " and resid 162 and name HE% ) 2.600 0.900 1.100 peak 1876 weight 0.10000E+01 volume 0.12944E-02 ppm1 0.621 ppm2 6.783 CV 1 ASSI { 1887} ( segid " " and resid 130 and name HD1%) (( segid " " and resid 130 and name HB2 )) 2.200 0.600 0.800 peak 1887 weight 0.10000E+01 volume 0.78623E-02 ppm1 0.623 ppm2 0.984 CV 1 ASSI { 1884} ( segid " " and resid 130 and name HD1%) (( segid " " and resid 130 and name HB1 )) 2.100 0.600 0.800 peak 1884 weight 0.10000E+01 volume 0.92306E-02 ppm1 0.623 ppm2 1.609 CV 1 ASSI { 1886} ( segid " " and resid 130 and name HD1%) (( segid " " and resid 130 and name HG )) 2.100 0.500 0.700 peak 1886 weight 0.10000E+01 volume 0.11967E-01 ppm1 0.622 ppm2 1.383 CV 1 ASSI { 1879} ( segid " " and resid 130 and name HD1%) (( segid " " and resid 132 and name HB1 )) 3.400 3.400 2.600 peak 1879 weight 0.10000E+01 volume 0.56687E-03 ppm1 0.623 ppm2 3.956 CV 1 ASSI { 1883} ( segid " " and resid 130 and name HD1%) (( segid " " and resid 160 and name HG1 )) 3.400 3.400 2.600 peak 1883 weight 0.10000E+01 volume 0.56687E-03 ppm1 0.621 ppm2 2.175 CV 1 ASSI { 1885} ( segid " " and resid 130 and name HD1%) (( segid " " and resid 160 and name HB2 )) 3.100 1.200 1.400 peak 1885 weight 0.10000E+01 volume 0.11055E-02 ppm1 0.624 ppm2 1.740 CV 1 ASSI { 1893} (( segid " " and resid 185 and name HG2 )) ( segid " " and resid 182 and name HD1%) 3.500 1.300 1.500 peak 1893 weight 0.10000E+01 volume 0.84053E-03 ppm1 1.513 ppm2 0.428 CV 1 ASSI { 1892} (( segid " " and resid 185 and name HG1 )) ( segid " " and resid 182 and name HD1%) 3.300 1.300 1.500 peak 1892 weight 0.10000E+01 volume 0.76668E-03 ppm1 1.398 ppm2 0.430 CV 1 ASSI { 1888} (( segid " " and resid 185 and name HG1 )) (( segid " " and resid 185 and name HB2 )) 2.400 0.700 0.900 peak 1888 weight 0.10000E+01 volume 0.51474E-02 ppm1 1.393 ppm2 1.917 CV 1 OR { 1888} (( segid " " and resid 185 and name HG1 )) (( segid " " and resid 185 and name HB1 )) ASSI { 1939} (( segid " " and resid 185 and name HG1 )) (( segid " " and resid 185 and name HE1 )) 2.600 0.800 1.000 peak 1939 weight 0.10000E+01 volume 0.29103E-02 ppm1 1.397 ppm2 2.931 CV 1 OR { 1939} (( segid " " and resid 185 and name HG1 )) (( segid " " and resid 185 and name HE2 )) ASSI { 1928} ( segid " " and resid 210 and name HG1%) ( segid " " and resid 213 and name HE% ) 2.500 0.800 1.000 peak 1928 weight 0.10000E+01 volume 0.36271E-02 ppm1 1.244 ppm2 1.895 CV 1 ASSI { 1960} (( segid " " and resid 185 and name HG1 )) (( segid " " and resid 182 and name HA )) 3.200 3.200 2.800 peak 1960 weight 0.10000E+01 volume 0.92089E-03 ppm1 1.385 ppm2 3.788 CV 1 ASSI { 1937} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 210 and name HB )) 2.200 0.600 0.800 peak 1937 weight 0.10000E+01 volume 0.84270E-02 ppm1 1.244 ppm2 2.283 CV 1 ASSI { 1971} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 183 and name HB )) 2.300 0.700 0.900 peak 1971 weight 0.10000E+01 volume 0.64288E-02 ppm1 1.245 ppm2 4.501 CV 1 ASSI { 1920} ( segid " " and resid 210 and name HG1%) ( segid " " and resid 184 and name HD1%) 2.400 0.700 0.900 peak 1920 weight 0.10000E+01 volume 0.50605E-02 ppm1 1.244 ppm2 0.802 CV 1 ASSI { 1976} (( segid " " and resid 204 and name HG1 )) (( segid " " and resid 201 and name HA )) 3.400 1.400 1.600 peak 1976 weight 0.10000E+01 volume 0.62116E-03 ppm1 1.626 ppm2 3.810 CV 1 ASSI { 1953} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 183 and name HA )) 3.300 1.300 1.500 peak 1953 weight 0.10000E+01 volume 0.73845E-03 ppm1 1.242 ppm2 4.091 CV 1 ASSI { 1927} (( segid " " and resid 204 and name HG2 )) (( segid " " and resid 204 and name HB2 )) 2.200 0.600 0.800 peak 1927 weight 0.10000E+01 volume 0.71238E-02 ppm1 1.444 ppm2 1.977 CV 1 OR { 1927} (( segid " " and resid 204 and name HG2 )) (( segid " " and resid 204 and name HB1 )) ASSI { 1923} ( segid " " and resid 210 and name HG1%) ( segid " " and resid 180 and name HG1%) 2.000 0.500 0.700 peak 1923 weight 0.10000E+01 volume 0.13683E-01 ppm1 1.244 ppm2 1.123 CV 1 ASSI { 1941} (( segid " " and resid 204 and name HG1 )) (( segid " " and resid 204 and name HE2 )) 2.700 0.900 1.100 peak 1941 weight 0.10000E+01 volume 0.24326E-02 ppm1 1.622 ppm2 2.935 CV 1 ASSI { 1931} (( segid " " and resid 185 and name HG1 )) (( segid " " and resid 185 and name HD2 )) 2.000 0.500 0.700 peak 1931 weight 0.10000E+01 volume 0.15898E-01 ppm1 1.373 ppm2 1.642 CV 1 OR { 1931} (( segid " " and resid 185 and name HG1 )) (( segid " " and resid 185 and name HD1 )) ASSI { 1977} (( segid " " and resid 165 and name HG1 )) (( segid " " and resid 165 and name HD2 )) 3.200 1.300 1.500 peak 1977 weight 0.10000E+01 volume 0.81229E-03 ppm1 1.965 ppm2 3.498 CV 1 ASSI { 1906} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 162 and name HE% ) 2.600 0.800 1.000 peak 1906 weight 0.10000E+01 volume 0.14617E-02 ppm1 0.704 ppm2 6.784 CV 1 ASSI { 1959} (( segid " " and resid 204 and name HG2 )) (( segid " " and resid 201 and name HA )) 3.100 3.100 2.900 peak 1959 weight 0.10000E+01 volume 0.10534E-02 ppm1 1.444 ppm2 3.822 CV 1 ASSI { 1913} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 126 and name HA1 )) 3.200 3.200 2.800 peak 1913 weight 0.10000E+01 volume 0.79492E-03 ppm1 0.705 ppm2 3.960 CV 1 ASSI { 1944} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 218 and name HB2 )) 2.900 1.000 1.200 peak 1944 weight 0.10000E+01 volume 0.16202E-02 ppm1 1.088 ppm2 2.745 CV 1 ASSI { 1911} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HA )) 2.400 0.700 0.900 peak 1911 weight 0.10000E+01 volume 0.50171E-02 ppm1 0.704 ppm2 4.401 CV 1 ASSI { 1915} ( segid " " and resid 125 and name HD1%) ( segid " " and resid 129 and name HE% ) 3.100 3.100 2.900 peak 1915 weight 0.10000E+01 volume 0.10338E-02 ppm1 0.705 ppm2 2.025 CV 1 ASSI { 1921} (( segid " " and resid 185 and name HG1 )) ( segid " " and resid 189 and name HG2%) 2.700 2.700 3.300 peak 1921 weight 0.10000E+01 volume 0.23240E-02 ppm1 1.379 ppm2 0.943 CV 1 ASSI { 1905} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 177 and name HD2 )) 2.700 2.700 3.300 peak 1905 weight 0.10000E+01 volume 0.11577E-02 ppm1 1.091 ppm2 7.407 CV 1 ASSI { 1904} ( segid " " and resid 176 and name HG1%) ( segid " " and resid 175 and name HD% ) 2.200 0.600 0.800 peak 1904 weight 0.10000E+01 volume 0.39746E-02 ppm1 1.087 ppm2 7.312 CV 1 ASSI { 1914} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 128 and name HB2 )) 3.100 1.200 1.400 peak 1914 weight 0.10000E+01 volume 0.95564E-03 ppm1 0.704 ppm2 2.883 CV 1 OR { 1914} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 128 and name HB1 )) ASSI { 1903} ( segid " " and resid 176 and name HG1%) ( segid " " and resid 175 and name HE% ) 2.800 2.800 3.200 peak 1903 weight 0.10000E+01 volume 0.97084E-03 ppm1 1.086 ppm2 7.693 CV 1 ASSI { 1948} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 179 and name HB1 )) 3.000 1.100 1.300 peak 1948 weight 0.10000E+01 volume 0.11945E-02 ppm1 1.087 ppm2 3.397 CV 1 ASSI { 1919} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 215 and name HG12)) 2.000 0.500 0.700 peak 1919 weight 0.10000E+01 volume 0.12380E-01 ppm1 1.087 ppm2 0.872 CV 1 OR { 1919} ( segid " " and resid 176 and name HG1%) ( segid " " and resid 215 and name HD1%) ASSI { 1936} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 176 and name HB )) 2.100 0.500 0.700 peak 1936 weight 0.10000E+01 volume 0.11729E-01 ppm1 1.087 ppm2 2.258 CV 1 ASSI { 1951} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 173 and name HA )) 2.800 2.800 3.200 peak 1951 weight 0.10000E+01 volume 0.19699E-02 ppm1 1.087 ppm2 4.262 CV 1 ASSI { 1950} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 209 and name HA )) 3.200 3.200 2.800 peak 1950 weight 0.10000E+01 volume 0.81881E-03 ppm1 0.964 ppm2 3.792 CV 1 ASSI { 1949} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 158 and name HD2 )) 2.800 2.800 3.200 peak 1949 weight 0.10000E+01 volume 0.18374E-02 ppm1 0.964 ppm2 3.085 CV 1 ASSI { 2002} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 210 and name HB )) 2.200 0.600 0.800 peak 2002 weight 0.10000E+01 volume 0.88179E-02 ppm1 0.964 ppm2 2.286 CV 1 ASSI { 1994} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 136 and name HA )) 2.500 0.800 1.000 peak 1994 weight 0.10000E+01 volume 0.35402E-02 ppm1 1.335 ppm2 4.419 CV 1 ASSI { 2000} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 157 and name HB1 )) 2.600 0.900 1.100 peak 2000 weight 0.10000E+01 volume 0.27149E-02 ppm1 1.334 ppm2 3.127 CV 1 ASSI { 2009} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 139 and name HG2%) 2.800 2.800 3.200 peak 2009 weight 0.10000E+01 volume 0.19720E-02 ppm1 1.333 ppm2 -0.024 CV 1 ASSI { 1999} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 213 and name HG1 )) 2.700 0.900 1.100 peak 1999 weight 0.10000E+01 volume 0.21480E-02 ppm1 1.334 ppm2 2.845 CV 1 ASSI { 1996} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 209 and name HA )) 2.200 0.600 0.800 peak 1996 weight 0.10000E+01 volume 0.89917E-02 ppm1 1.334 ppm2 3.843 CV 1 ASSI { 1997} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 206 and name HA )) 2.200 2.200 3.800 peak 1997 weight 0.10000E+01 volume 0.84921E-02 ppm1 1.334 ppm2 3.609 CV 1 ASSI { 2008} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 139 and name HD1%) 2.200 2.200 3.800 peak 2008 weight 0.10000E+01 volume 0.87310E-02 ppm1 1.334 ppm2 0.483 CV 1 ASSI { 1985} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 141 and name HE% ) 2.300 2.300 3.700 peak 1985 weight 0.10000E+01 volume 0.27800E-02 ppm1 1.334 ppm2 6.921 CV 1 ASSI { 2013} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 209 and name HB )) 2.100 0.500 0.700 peak 2013 weight 0.10000E+01 volume 0.12010E-01 ppm1 1.334 ppm2 2.346 CV 1 ASSI { 1992} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 150 and name HD% ) 2.900 2.900 3.100 peak 1992 weight 0.10000E+01 volume 0.67763E-03 ppm1 1.332 ppm2 7.531 CV 1 ASSI { 2030} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 214 and name HA )) 2.700 0.900 1.100 peak 2030 weight 0.10000E+01 volume 0.22588E-02 ppm1 0.958 ppm2 4.444 CV 1 ASSI { 2035} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 213 and name HB1 )) 2.100 0.500 0.700 peak 2035 weight 0.10000E+01 volume 0.11294E-01 ppm1 0.958 ppm2 2.161 CV 1 OR { 2035} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 213 and name HB2 )) ASSI { 2032} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 213 and name HG1 )) 3.000 1.200 1.400 peak 2032 weight 0.10000E+01 volume 0.11380E-02 ppm1 0.957 ppm2 2.848 CV 1 ASSI { 2033} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 161 and name HB )) 2.100 0.500 0.700 peak 2033 weight 0.10000E+01 volume 0.11489E-01 ppm1 0.958 ppm2 2.630 CV 1 ASSI { 2048} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 183 and name HB )) 3.000 3.000 3.000 peak 2048 weight 0.10000E+01 volume 0.11337E-02 ppm1 1.098 ppm2 4.488 CV 1 ASSI { 2031} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 213 and name HA )) 3.000 1.100 1.300 peak 2031 weight 0.10000E+01 volume 0.12618E-02 ppm1 0.959 ppm2 4.165 CV 1 ASSI { 2042} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 180 and name HB )) 1.900 0.400 0.600 peak 2042 weight 0.10000E+01 volume 0.20155E-01 ppm1 1.099 ppm2 2.171 CV 1 ASSI { 2059} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 203 and name HB )) 1.900 0.500 0.700 peak 2059 weight 0.10000E+01 volume 0.16941E-01 ppm1 0.999 ppm2 2.075 CV 1 ASSI { 2052} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 198 and name HA )) 3.200 1.300 1.500 peak 2052 weight 0.10000E+01 volume 0.87310E-03 ppm1 1.000 ppm2 5.330 CV 1 ASSI { 2051} ( segid " " and resid 203 and name HG1%) ( segid " " and resid 198 and name HD% ) 2.600 2.600 3.400 peak 2051 weight 0.10000E+01 volume 0.14291E-02 ppm1 1.000 ppm2 7.361 CV 1 ASSI { 2058} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 198 and name HB2 )) 2.600 0.900 1.100 peak 2058 weight 0.10000E+01 volume 0.26931E-02 ppm1 1.001 ppm2 2.958 CV 1 ASSI { 2056} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 203 and name HA )) 2.100 0.500 0.700 peak 2056 weight 0.10000E+01 volume 0.11489E-01 ppm1 0.999 ppm2 3.314 CV 1 ASSI { 2069} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 187 and name HD2 )) 2.400 0.700 0.900 peak 2069 weight 0.10000E+01 volume 0.20481E-02 ppm1 1.488 ppm2 7.013 CV 1 ASSI { 2068} ( segid " " and resid 183 and name HG2%) ( segid " " and resid 162 and name HD% ) 2.400 0.700 0.900 peak 2068 weight 0.10000E+01 volume 0.24326E-02 ppm1 1.488 ppm2 6.906 CV 1 ASSI { 2071} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 183 and name HA )) 2.300 0.600 0.800 peak 2071 weight 0.10000E+01 volume 0.68632E-02 ppm1 1.488 ppm2 4.090 CV 1 ASSI { 2125} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 161 and name HB )) 2.500 0.800 1.000 peak 2125 weight 0.10000E+01 volume 0.33230E-02 ppm1 1.488 ppm2 2.625 CV 1 ASSI { 2127} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 158 and name HB1 )) 2.800 2.800 3.200 peak 2127 weight 0.10000E+01 volume 0.18765E-02 ppm1 1.488 ppm2 2.449 CV 1 ASSI { 2105} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 177 and name HB2 )) 2.900 1.100 1.300 peak 2105 weight 0.10000E+01 volume 0.14508E-02 ppm1 1.045 ppm2 3.384 CV 1 OR { 2105} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 177 and name HB1 )) ASSI { 2128} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 210 and name HB )) 3.300 1.300 1.500 peak 2128 weight 0.10000E+01 volume 0.76017E-03 ppm1 1.487 ppm2 2.283 CV 1 ASSI { 2123} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 187 and name HB2 )) 3.000 1.100 1.300 peak 2123 weight 0.10000E+01 volume 0.12706E-02 ppm1 1.487 ppm2 3.186 CV 1 ASSI { 2124} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 187 and name HB1 )) 3.500 1.400 1.600 peak 2124 weight 0.10000E+01 volume 0.67112E-03 ppm1 1.488 ppm2 3.359 CV 1 ASSI { 2107} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 194 and name HB2 )) 2.800 1.000 1.200 peak 2107 weight 0.10000E+01 volume 0.18809E-02 ppm1 0.979 ppm2 1.889 CV 1 ASSI { 2112} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 158 and name HA )) 2.800 2.800 3.200 peak 2112 weight 0.10000E+01 volume 0.19069E-02 ppm1 1.487 ppm2 4.367 CV 1 ASSI { 2133} ( segid " " and resid 216 and name HG2%) (( segid " " and resid 134 and name HB2 )) 2.500 0.800 1.000 peak 2133 weight 0.10000E+01 volume 0.35402E-02 ppm1 1.245 ppm2 2.019 CV 1 OR { 2133} ( segid " " and resid 216 and name HG2%) (( segid " " and resid 134 and name HB1 )) ASSI { 2121} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 198 and name HB2 )) 2.600 0.900 1.100 peak 2121 weight 0.10000E+01 volume 0.27149E-02 ppm1 1.245 ppm2 2.952 CV 1 ASSI { 2120} ( segid " " and resid 216 and name HG2%) (( segid " " and resid 220 and name HD1 )) 2.900 1.100 1.300 peak 2120 weight 0.10000E+01 volume 0.14921E-02 ppm1 1.245 ppm2 3.099 CV 1 ASSI { 2110} ( segid " " and resid 216 and name HG2%) (( segid " " and resid 216 and name HB )) 1.900 0.400 0.600 peak 2110 weight 0.10000E+01 volume 0.20198E-01 ppm1 1.245 ppm2 4.335 CV 1 ASSI { 2134} ( segid " " and resid 216 and name HG2%) (( segid " " and resid 220 and name HG1 )) 2.500 0.800 1.000 peak 2134 weight 0.10000E+01 volume 0.39095E-02 ppm1 1.245 ppm2 1.865 CV 1 ASSI { 2083} ( segid " " and resid 176 and name HG2%) ( segid " " and resid 175 and name HD% ) 2.800 2.800 3.200 peak 2083 weight 0.10000E+01 volume 0.85790E-03 ppm1 1.050 ppm2 7.315 CV 1 ASSI { 2085} ( segid " " and resid 130 and name HD2%) ( segid " " and resid 162 and name HD% ) 2.600 2.600 3.400 peak 2085 weight 0.10000E+01 volume 0.14096E-02 ppm1 0.019 ppm2 6.899 CV 1 ASSI { 2098} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 130 and name HA )) 2.100 0.600 0.800 peak 2098 weight 0.10000E+01 volume 0.10643E-01 ppm1 0.019 ppm2 4.526 CV 1 ASSI { 2091} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 130 and name HG )) 2.200 0.600 0.800 peak 2091 weight 0.10000E+01 volume 0.90785E-02 ppm1 0.019 ppm2 1.379 CV 1 ASSI { 2099} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 161 and name HA )) 3.400 1.500 1.700 peak 2099 weight 0.10000E+01 volume 0.57338E-03 ppm1 0.019 ppm2 4.952 CV 1 ASSI { 2086} ( segid " " and resid 130 and name HD2%) ( segid " " and resid 162 and name HE% ) 2.500 2.500 3.500 peak 2086 weight 0.10000E+01 volume 0.18396E-02 ppm1 0.020 ppm2 6.793 CV 1 ASSI { 2103} ( segid " " and resid 180 and name HG2%) (( segid " " and resid 180 and name HA )) 2.000 0.500 0.700 peak 2103 weight 0.10000E+01 volume 0.12901E-01 ppm1 0.979 ppm2 3.676 CV 1 ASSI { 2092} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 130 and name HB1 )) 2.400 0.700 0.900 peak 2092 weight 0.10000E+01 volume 0.44742E-02 ppm1 0.020 ppm2 1.608 CV 1 ASSI { 2093} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 160 and name HB2 )) 2.500 0.800 1.000 peak 2093 weight 0.10000E+01 volume 0.33664E-02 ppm1 0.020 ppm2 1.715 CV 1 ASSI { 2094} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 160 and name HB1 )) 2.400 0.700 0.900 peak 2094 weight 0.10000E+01 volume 0.49519E-02 ppm1 0.020 ppm2 2.013 CV 1 ASSI { 2114} ( segid " " and resid 199 and name HG2%) (( segid " " and resid 201 and name HB )) 3.000 3.000 3.000 peak 2114 weight 0.10000E+01 volume 0.13032E-02 ppm1 1.453 ppm2 3.719 CV 1 ASSI { 2122} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 198 and name HB2 )) 2.600 0.900 1.100 peak 2122 weight 0.10000E+01 volume 0.26714E-02 ppm1 1.303 ppm2 2.975 CV 1 ASSI { 2109} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 215 and name HG11)) 2.500 0.800 1.000 peak 2109 weight 0.10000E+01 volume 0.33664E-02 ppm1 1.048 ppm2 2.007 CV 1 ASSI { 2111} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 187 and name HA )) 2.700 0.900 1.100 peak 2111 weight 0.10000E+01 volume 0.22588E-02 ppm1 1.304 ppm2 4.602 CV 1 ASSI { 2165} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 197 and name HA )) 2.700 0.900 1.100 peak 2165 weight 0.10000E+01 volume 0.25845E-02 ppm1 1.323 ppm2 4.645 CV 1 ASSI { 2141} ( segid " " and resid 192 and name HG2%) ( segid " " and resid 198 and name HE% ) 2.900 2.900 3.100 peak 2141 weight 0.10000E+01 volume 0.73627E-03 ppm1 1.326 ppm2 7.451 CV 1 ASSI { 2169} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 192 and name HB )) 1.600 0.300 0.800 peak 2169 weight 0.10000E+01 volume 0.55818E-01 ppm1 1.325 ppm2 4.377 CV 1 OR { 2169} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 192 and name HA )) ASSI { 2185} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 196 and name HB2 )) 2.300 0.600 0.800 peak 2185 weight 0.10000E+01 volume 0.67112E-02 ppm1 0.987 ppm2 1.610 CV 1 OR { 2185} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 196 and name HB1 )) ASSI { 2142} ( segid " " and resid 192 and name HG2%) ( segid " " and resid 198 and name HD% ) 2.500 0.800 1.000 peak 2142 weight 0.10000E+01 volume 0.19547E-02 ppm1 1.324 ppm2 7.363 CV 1 ASSI { 2151} ( segid " " and resid 191 and name HG2%) ( segid " " and resid 198 and name HE% ) 2.400 0.700 0.900 peak 2151 weight 0.10000E+01 volume 0.23022E-02 ppm1 0.988 ppm2 7.476 CV 1 ASSI { 2162} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 191 and name HB )) 1.600 0.300 0.800 peak 2162 weight 0.10000E+01 volume 0.47782E-01 ppm1 0.986 ppm2 4.144 CV 1 OR { 2162} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 191 and name HA )) ASSI { 2153} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 198 and name HZ )) 3.000 1.100 1.300 peak 2153 weight 0.10000E+01 volume 0.61465E-03 ppm1 0.984 ppm2 7.035 CV 1 ASSI { 2144} ( segid " " and resid 188 and name HG2%) ( segid " " and resid 198 and name HE% ) 2.500 2.500 3.500 peak 2144 weight 0.10000E+01 volume 0.17419E-02 ppm1 1.266 ppm2 7.453 CV 1 ASSI { 2143} ( segid " " and resid 188 and name HG2%) ( segid " " and resid 198 and name HD% ) 2.100 2.100 3.900 peak 2143 weight 0.10000E+01 volume 0.52126E-02 ppm1 1.266 ppm2 7.363 CV 1 ASSI { 2155} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 205 and name HG2 )) 2.700 0.900 1.100 peak 2155 weight 0.10000E+01 volume 0.24542E-02 ppm1 0.725 ppm2 2.140 CV 1 ASSI { 2154} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 204 and name HB1 )) 2.500 0.800 1.000 peak 2154 weight 0.10000E+01 volume 0.36053E-02 ppm1 0.726 ppm2 1.983 CV 1 OR { 2154} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 204 and name HB2 )) ASSI { 2156} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 146 and name HG1 )) 3.300 1.300 1.500 peak 2156 weight 0.10000E+01 volume 0.75582E-03 ppm1 0.725 ppm2 2.298 CV 1 ASSI { 2145} ( segid " " and resid 201 and name HG2%) ( segid " " and resid 149 and name HE% ) 2.200 0.600 0.800 peak 2145 weight 0.10000E+01 volume 0.35836E-02 ppm1 0.725 ppm2 6.883 CV 1 ASSI { 2196} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 201 and name HB )) 1.900 0.400 0.600 peak 2196 weight 0.10000E+01 volume 0.22153E-01 ppm1 0.725 ppm2 3.722 CV 1 ASSI { 2221} ( segid " " and resid 189 and name HG2%) (( segid " " and resid 189 and name HB )) 1.800 0.400 0.600 peak 2221 weight 0.10000E+01 volume 0.25412E-01 ppm1 0.980 ppm2 2.239 CV 1 ASSI { 2203} ( segid " " and resid 189 and name HG2%) (( segid " " and resid 189 and name HA )) 2.000 0.500 0.700 peak 2203 weight 0.10000E+01 volume 0.16442E-01 ppm1 0.980 ppm2 3.967 CV 1 ASSI { 2222} ( segid " " and resid 189 and name HG2%) (( segid " " and resid 185 and name HE1 )) 3.100 1.200 1.400 peak 2222 weight 0.10000E+01 volume 0.10795E-02 ppm1 0.980 ppm2 2.928 CV 1 OR { 2222} ( segid " " and resid 189 and name HG2%) (( segid " " and resid 185 and name HE2 )) ASSI { 2187} ( segid " " and resid 209 and name HG2%) ( segid " " and resid 150 and name HE% ) 2.300 0.700 0.900 peak 2187 weight 0.10000E+01 volume 0.30841E-02 ppm1 1.298 ppm2 7.013 CV 1 ASSI { 2206} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 209 and name HA )) 2.300 0.700 0.900 peak 2206 weight 0.10000E+01 volume 0.54732E-02 ppm1 1.299 ppm2 3.842 CV 1 ASSI { 2188} ( segid " " and resid 209 and name HG2%) ( segid " " and resid 141 and name HE% ) 2.300 2.300 3.700 peak 2188 weight 0.10000E+01 volume 0.25845E-02 ppm1 1.299 ppm2 6.914 CV 1 ASSI { 2208} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 206 and name HA )) 2.000 2.000 4.000 peak 2208 weight 0.10000E+01 volume 0.13835E-01 ppm1 1.299 ppm2 3.590 CV 1 ASSI { 2209} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 154 and name HA )) 3.000 3.000 3.000 peak 2209 weight 0.10000E+01 volume 0.13357E-02 ppm1 1.298 ppm2 3.469 CV 1 ASSI { 2213} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 212 and name HG1 )) 2.800 1.000 1.200 peak 2213 weight 0.10000E+01 volume 0.20307E-02 ppm1 1.300 ppm2 2.490 CV 1 OR { 2213} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 212 and name HG2 )) ASSI { 2217} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 137 and name HB2 )) 2.800 1.000 1.200 peak 2217 weight 0.10000E+01 volume 0.20350E-02 ppm1 1.300 ppm2 1.764 CV 1 ASSI { 2212} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 213 and name HG1 )) 3.000 3.000 3.000 peak 2212 weight 0.10000E+01 volume 0.12293E-02 ppm1 1.299 ppm2 2.851 CV 1 ASSI { 2263} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 131 and name HA1 )) 3.100 3.100 2.900 peak 2263 weight 0.10000E+01 volume 0.92957E-03 ppm1 0.777 ppm2 4.030 CV 1 ASSI { 2270} ( segid " " and resid 161 and name HG2%) ( segid " " and resid 183 and name HG2%) 2.900 2.900 3.100 peak 2270 weight 0.10000E+01 volume 0.16093E-02 ppm1 0.781 ppm2 1.488 CV 1 ASSI { 2242} ( segid " " and resid 161 and name HG2%) ( segid " " and resid 175 and name HE% ) 3.000 3.000 3.000 peak 2242 weight 0.10000E+01 volume 0.64723E-03 ppm1 0.779 ppm2 7.697 CV 1 ASSI { 2269} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 160 and name HB2 )) 2.500 2.500 3.500 peak 2269 weight 0.10000E+01 volume 0.39095E-02 ppm1 0.780 ppm2 1.718 CV 1 ASSI { 2240} ( segid " " and resid 161 and name HG2%) ( segid " " and resid 163 and name HE% ) 2.900 2.900 3.100 peak 2240 weight 0.10000E+01 volume 0.71673E-03 ppm1 0.777 ppm2 6.487 CV 1 ASSI { 2265} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 161 and name HB )) 2.000 0.500 0.700 peak 2265 weight 0.10000E+01 volume 0.12271E-01 ppm1 0.778 ppm2 2.632 CV 1 ASSI { 2259} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 161 and name HA )) 2.500 0.800 1.000 peak 2259 weight 0.10000E+01 volume 0.34967E-02 ppm1 0.778 ppm2 4.947 CV 1 ASSI { 2261} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 214 and name HA )) 2.400 0.700 0.900 peak 2261 weight 0.10000E+01 volume 0.53646E-02 ppm1 0.778 ppm2 4.432 CV 1 ASSI { 2271} ( segid " " and resid 161 and name HG2%) ( segid " " and resid 161 and name HG1%) 1.900 0.500 0.700 peak 2271 weight 0.10000E+01 volume 0.16746E-01 ppm1 0.779 ppm2 0.953 CV 1 ASSI { 2241} ( segid " " and resid 161 and name HG2%) ( segid " " and resid 163 and name HD% ) 2.500 0.800 1.000 peak 2241 weight 0.10000E+01 volume 0.16333E-02 ppm1 0.777 ppm2 7.024 CV 1 ASSI { 2251} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 186 and name HB2 )) 2.700 0.900 1.100 peak 2251 weight 0.10000E+01 volume 0.24542E-02 ppm1 0.302 ppm2 1.929 CV 1 ASSI { 2250} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 182 and name HB )) 2.000 0.500 0.700 peak 2250 weight 0.10000E+01 volume 0.13922E-01 ppm1 0.302 ppm2 1.603 CV 1 ASSI { 2283} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 227 and name HG2 )) 2.900 1.000 1.200 peak 2283 weight 0.10000E+01 volume 0.15572E-02 ppm1 1.428 ppm2 2.384 CV 1 OR { 2283} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 227 and name HG1 )) ASSI { 2252} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 186 and name HG1 )) 2.700 2.700 3.300 peak 2252 weight 0.10000E+01 volume 0.25412E-02 ppm1 0.302 ppm2 2.063 CV 1 ASSI { 2725} ( segid " " and resid 182 and name HG2%) ( segid " " and resid 182 and name HD1%) 2.000 0.500 0.700 peak 2725 weight 0.10000E+01 volume 0.14161E-01 ppm1 0.303 ppm2 0.403 CV 1 ASSI { 2272} ( segid " " and resid 133 and name HB% ) (( segid " " and resid 160 and name HG2 )) 2.300 0.700 0.900 peak 2272 weight 0.10000E+01 volume 0.57555E-02 ppm1 1.296 ppm2 2.028 CV 1 ASSI { 2253} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 162 and name HB2 )) 2.200 0.600 0.800 peak 2253 weight 0.10000E+01 volume 0.79274E-02 ppm1 0.302 ppm2 2.588 CV 1 ASSI { 2276} ( segid " " and resid 133 and name HB% ) (( segid " " and resid 159 and name HB1 )) 3.200 1.300 1.500 peak 2276 weight 0.10000E+01 volume 0.79709E-03 ppm1 1.297 ppm2 3.656 CV 1 ASSI { 2254} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 128 and name HB2 )) 2.600 0.800 1.000 peak 2254 weight 0.10000E+01 volume 0.31059E-02 ppm1 0.303 ppm2 2.880 CV 1 OR { 2254} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 128 and name HB1 )) ASSI { 2255} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 182 and name HA )) 2.200 0.600 0.800 peak 2255 weight 0.10000E+01 volume 0.72324E-02 ppm1 0.302 ppm2 3.776 CV 1 ASSI { 2248} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 182 and name HG11)) 2.000 0.500 0.700 peak 2248 weight 0.10000E+01 volume 0.13270E-01 ppm1 0.302 ppm2 0.896 CV 1 ASSI { 2236} ( segid " " and resid 182 and name HG2%) ( segid " " and resid 162 and name HD% ) 2.300 0.700 0.900 peak 2236 weight 0.10000E+01 volume 0.30624E-02 ppm1 0.302 ppm2 6.921 CV 1 ASSI { 2258} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 179 and name HA )) 2.600 2.600 3.400 peak 2258 weight 0.10000E+01 volume 0.28887E-02 ppm1 0.303 ppm2 4.764 CV 1 ASSI { 2238} ( segid " " and resid 182 and name HG2%) ( segid " " and resid 128 and name HE% ) 2.300 2.300 3.700 peak 2238 weight 0.10000E+01 volume 0.26063E-02 ppm1 0.303 ppm2 6.711 CV 1 ASSI { 2709} ( segid " " and resid 133 and name HB% ) (( segid " " and resid 133 and name HA )) 1.800 0.400 0.600 peak 2709 weight 0.10000E+01 volume 0.31275E-01 ppm1 1.296 ppm2 4.452 CV 1 ASSI { 2274} ( segid " " and resid 133 and name HB% ) (( segid " " and resid 159 and name HB2 )) 3.000 1.100 1.300 peak 2274 weight 0.10000E+01 volume 0.12640E-02 ppm1 1.296 ppm2 2.461 CV 1 ASSI { 2280} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 221 and name HA )) 2.200 0.600 0.800 peak 2280 weight 0.10000E+01 volume 0.74713E-02 ppm1 1.426 ppm2 4.051 CV 1 ASSI { 2295} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 146 and name HB1 )) 2.200 0.600 0.800 peak 2295 weight 0.10000E+01 volume 0.77102E-02 ppm1 1.489 ppm2 1.979 CV 1 ASSI { 2286} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 141 and name HD% ) 2.400 0.700 0.900 peak 2286 weight 0.10000E+01 volume 0.25412E-02 ppm1 1.490 ppm2 7.340 CV 1 ASSI { 2300} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 201 and name HG2%) 1.900 0.500 0.700 peak 2300 weight 0.10000E+01 volume 0.18179E-01 ppm1 1.489 ppm2 0.725 CV 1 ASSI { 2296} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 146 and name HG2 )) 2.200 0.600 0.800 peak 2296 weight 0.10000E+01 volume 0.70152E-02 ppm1 1.489 ppm2 1.887 CV 1 ASSI { 2297} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 204 and name HD2 )) 2.700 0.900 1.100 peak 2297 weight 0.10000E+01 volume 0.26063E-02 ppm1 1.488 ppm2 1.735 CV 1 OR { 2297} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 204 and name HD1 )) ASSI { 2354} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 220 and name HD2 )) 2.600 2.600 3.400 peak 2354 weight 0.10000E+01 volume 0.28887E-02 ppm1 2.171 ppm2 2.951 CV 1 ASSI { 2355} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 213 and name HG1 )) 3.000 1.100 1.300 peak 2355 weight 0.10000E+01 volume 0.12380E-02 ppm1 2.175 ppm2 2.832 CV 1 ASSI { 2358} ( segid " " and resid 134 and name HE% ) ( segid " " and resid 161 and name HG1%) 2.300 0.700 0.900 peak 2358 weight 0.10000E+01 volume 0.64288E-02 ppm1 2.168 ppm2 0.952 CV 1 ASSI { 2359} ( segid " " and resid 134 and name HE% ) ( segid " " and resid 161 and name HG2%) 2.100 0.600 0.800 peak 2359 weight 0.10000E+01 volume 0.96215E-02 ppm1 2.168 ppm2 0.779 CV 1 ASSI { 2349} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 213 and name HA )) 2.300 0.700 0.900 peak 2349 weight 0.10000E+01 volume 0.56469E-02 ppm1 2.169 ppm2 4.176 CV 1 ASSI { 2347} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 160 and name HA )) 2.500 2.500 3.500 peak 2347 weight 0.10000E+01 volume 0.40614E-02 ppm1 2.169 ppm2 4.542 CV 1 ASSI { 2346} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 216 and name HB )) 2.100 0.600 0.800 peak 2346 weight 0.10000E+01 volume 0.99473E-02 ppm1 2.169 ppm2 4.335 CV 1 ASSI { 2356} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 134 and name HG2 )) 1.900 0.500 0.700 peak 2356 weight 0.10000E+01 volume 0.17657E-01 ppm1 2.169 ppm2 2.465 CV 1 OR { 2356} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 134 and name HG1 )) ASSI { 2344} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 138 and name HA )) 2.500 0.800 1.000 peak 2344 weight 0.10000E+01 volume 0.34750E-02 ppm1 2.039 ppm2 4.162 CV 1 ASSI { 2340} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 157 and name HB2 )) 2.400 2.400 3.600 peak 2340 weight 0.10000E+01 volume 0.51474E-02 ppm1 2.038 ppm2 3.133 CV 1 OR { 2340} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 157 and name HB1 )) ASSI { 2339} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 151 and name HD2 )) 2.700 0.900 1.100 peak 2339 weight 0.10000E+01 volume 0.21350E-02 ppm1 2.038 ppm2 3.301 CV 1 ASSI { 2667} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 136 and name HB1 )) 1.800 1.800 4.200 peak 2667 weight 0.10000E+01 volume 0.24977E-01 ppm1 2.040 ppm2 1.759 CV 1 ASSI { 2315} ( segid " " and resid 154 and name HE% ) ( segid " " and resid 150 and name HE% ) 2.200 0.600 0.800 peak 2315 weight 0.10000E+01 volume 0.43221E-02 ppm1 2.039 ppm2 7.032 CV 1 ASSI { 2360} ( segid " " and resid 154 and name HE% ) ( segid " " and resid 138 and name HD1%) 2.000 0.500 0.700 peak 2360 weight 0.10000E+01 volume 0.13857E-01 ppm1 2.039 ppm2 0.903 CV 1 ASSI { 2307} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 141 and name HE% ) 2.800 2.800 3.200 peak 2307 weight 0.10000E+01 volume 0.83401E-03 ppm1 0.746 ppm2 6.922 CV 1 ASSI { 2306} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 150 and name HE% ) 2.600 0.900 1.100 peak 2306 weight 0.10000E+01 volume 0.13488E-02 ppm1 0.745 ppm2 7.036 CV 1 ASSI { 2724} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 138 and name HD1%) 1.900 0.500 0.700 peak 2724 weight 0.10000E+01 volume 0.18418E-01 ppm1 0.746 ppm2 0.881 CV 1 ASSI { 2331} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 151 and name HD2 )) 3.100 1.200 1.400 peak 2331 weight 0.10000E+01 volume 0.92957E-03 ppm1 0.746 ppm2 3.313 CV 1 ASSI { 2336} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 139 and name HG2%) 2.900 2.900 3.100 peak 2336 weight 0.10000E+01 volume 0.14834E-02 ppm1 0.747 ppm2 -0.021 CV 1 ASSI { 2333} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HG11)) 2.100 0.600 0.800 peak 2333 weight 0.10000E+01 volume 0.94695E-02 ppm1 0.745 ppm2 1.596 CV 1 ASSI { 2327} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HA )) 2.100 0.500 0.700 peak 2327 weight 0.10000E+01 volume 0.11337E-01 ppm1 0.745 ppm2 4.160 CV 1 ASSI { 2330} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 151 and name HD1 )) 3.000 1.100 1.300 peak 2330 weight 0.10000E+01 volume 0.12445E-02 ppm1 0.745 ppm2 3.399 CV 1 ASSI { 2332} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HB )) 1.800 0.400 0.600 peak 2332 weight 0.10000E+01 volume 0.27366E-01 ppm1 0.745 ppm2 1.925 CV 1 ASSI { 2308} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 150 and name HD% ) 3.100 1.200 1.400 peak 2308 weight 0.10000E+01 volume 0.53646E-03 ppm1 0.743 ppm2 7.536 CV 1 ASSI { 2319} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 141 and name HA )) 3.000 3.000 3.000 peak 2319 weight 0.10000E+01 volume 0.11468E-02 ppm1 -0.025 ppm2 4.358 CV 1 ASSI { 2326} ( segid " " and resid 139 and name HG2%) ( segid " " and resid 209 and name HG2%) 2.900 1.100 1.300 peak 2326 weight 0.10000E+01 volume 0.14225E-02 ppm1 -0.025 ppm2 1.320 CV 1 ASSI { 2325} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 208 and name HB2 )) 2.500 0.800 1.000 peak 2325 weight 0.10000E+01 volume 0.33882E-02 ppm1 -0.025 ppm2 1.968 CV 1 ASSI { 2338} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 218 and name HB1 )) 3.200 1.300 1.500 peak 2338 weight 0.10000E+01 volume 0.89265E-03 ppm1 0.912 ppm2 3.122 CV 1 ASSI { 2395} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 139 and name HB )) 2.000 0.500 0.700 peak 2395 weight 0.10000E+01 volume 0.14508E-01 ppm1 -0.024 ppm2 0.879 CV 1 ASSI { 2394} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 208 and name HG1 )) 2.500 0.800 1.000 peak 2394 weight 0.10000E+01 volume 0.33230E-02 ppm1 -0.023 ppm2 1.793 CV 1 ASSI { 2396} ( segid " " and resid 139 and name HG2%) ( segid " " and resid 139 and name HD1%) 2.000 0.500 0.700 peak 2396 weight 0.10000E+01 volume 0.12314E-01 ppm1 -0.023 ppm2 0.479 CV 1 ASSI { 2393} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 208 and name HB1 )) 2.700 0.900 1.100 peak 2393 weight 0.10000E+01 volume 0.25194E-02 ppm1 -0.021 ppm2 2.106 CV 1 ASSI { 2363} ( segid " " and resid 139 and name HG2%) ( segid " " and resid 141 and name HE% ) 2.200 0.600 0.800 peak 2363 weight 0.10000E+01 volume 0.33882E-02 ppm1 -0.024 ppm2 6.900 CV 1 ASSI { 2378} ( segid " " and resid 129 and name HE% ) ( segid " " and resid 163 and name HE% ) 2.500 2.500 3.500 peak 2378 weight 0.10000E+01 volume 0.19829E-02 ppm1 2.004 ppm2 6.478 CV 1 ASSI { 2425} ( segid " " and resid 129 and name HE% ) (( segid " " and resid 130 and name HG )) 2.300 2.300 3.700 peak 2425 weight 0.10000E+01 volume 0.66460E-02 ppm1 2.003 ppm2 1.392 CV 1 ASSI { 2376} ( segid " " and resid 129 and name HE% ) ( segid " " and resid 163 and name HD% ) 2.800 2.800 3.200 peak 2376 weight 0.10000E+01 volume 0.87528E-03 ppm1 2.003 ppm2 6.995 CV 1 ASSI { 2649} ( segid " " and resid 129 and name HE% ) (( segid " " and resid 129 and name HG1 )) 2.300 0.600 0.800 peak 2649 weight 0.10000E+01 volume 0.69284E-02 ppm1 2.006 ppm2 2.217 CV 1 OR { 2649} ( segid " " and resid 129 and name HE% ) (( segid " " and resid 129 and name HG2 )) ASSI { 2401} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 219 and name HG2 )) 2.700 2.700 3.300 peak 2401 weight 0.10000E+01 volume 0.22370E-02 ppm1 0.911 ppm2 2.375 CV 1 ASSI { 2399} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 215 and name HA )) 2.200 0.600 0.800 peak 2399 weight 0.10000E+01 volume 0.78623E-02 ppm1 0.910 ppm2 3.590 CV 1 ASSI { 2416} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 225 and name HA )) 3.100 3.100 2.900 peak 2416 weight 0.10000E+01 volume 0.95998E-03 ppm1 1.609 ppm2 4.180 CV 1 ASSI { 2372} ( segid " " and resid 166 and name HE% ) ( segid " " and resid 225 and name HD% ) 2.200 2.200 3.800 peak 2372 weight 0.10000E+01 volume 0.42569E-02 ppm1 1.611 ppm2 6.693 CV 1 ASSI { 2373} ( segid " " and resid 166 and name HE% ) ( segid " " and resid 218 and name HE% ) 2.100 2.100 3.900 peak 2373 weight 0.10000E+01 volume 0.51474E-02 ppm1 1.612 ppm2 6.585 CV 1 ASSI { 2410} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 225 and name HB2 )) 2.600 0.900 1.100 peak 2410 weight 0.10000E+01 volume 0.26498E-02 ppm1 1.611 ppm2 2.856 CV 1 ASSI { 2414} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 219 and name HA )) 3.400 1.400 1.600 peak 2414 weight 0.10000E+01 volume 0.61899E-03 ppm1 1.612 ppm2 3.789 CV 1 ASSI { 2371} ( segid " " and resid 166 and name HE% ) ( segid " " and resid 226 and name HE% ) 2.400 2.400 3.600 peak 2371 weight 0.10000E+01 volume 0.24759E-02 ppm1 1.611 ppm2 6.825 CV 1 ASSI { 2397} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 216 and name HA )) 2.400 0.700 0.900 peak 2397 weight 0.10000E+01 volume 0.49519E-02 ppm1 0.911 ppm2 3.989 CV 1 ASSI { 2402} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 215 and name HB )) 1.900 0.500 0.700 peak 2402 weight 0.10000E+01 volume 0.17549E-01 ppm1 0.910 ppm2 2.027 CV 1 ASSI { 2375} ( segid " " and resid 166 and name HE% ) ( segid " " and resid 218 and name HD% ) 2.700 0.900 1.100 peak 2375 weight 0.10000E+01 volume 0.10534E-02 ppm1 1.609 ppm2 6.206 CV 1 ASSI { 2370} ( segid " " and resid 166 and name HE% ) ( segid " " and resid 175 and name HD% ) 2.500 2.500 3.500 peak 2370 weight 0.10000E+01 volume 0.16659E-02 ppm1 1.610 ppm2 7.312 CV 1 ASSI { 2398} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 185 and name HA )) 2.700 0.900 1.100 peak 2398 weight 0.10000E+01 volume 0.25194E-02 ppm1 0.892 ppm2 4.063 CV 1 ASSI { 2403} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 184 and name HB )) 1.900 0.500 0.700 peak 2403 weight 0.10000E+01 volume 0.17766E-01 ppm1 0.892 ppm2 2.083 CV 1 ASSI { 2406} ( segid " " and resid 184 and name HG2%) ( segid " " and resid 188 and name HG2%) 2.400 0.700 0.900 peak 2406 weight 0.10000E+01 volume 0.44307E-02 ppm1 0.890 ppm2 1.242 CV 1 ASSI { 2404} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 184 and name HG12)) 2.300 0.700 0.900 peak 2404 weight 0.10000E+01 volume 0.59076E-02 ppm1 0.891 ppm2 1.886 CV 1 ASSI { 2433} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 184 and name HA )) 2.100 0.600 0.800 peak 2433 weight 0.10000E+01 volume 0.94912E-02 ppm1 0.890 ppm2 3.693 CV 1 ASSI { 2432} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 203 and name HA )) 3.100 1.200 1.400 peak 2432 weight 0.10000E+01 volume 0.10686E-02 ppm1 0.890 ppm2 3.332 CV 1 ASSI { 2450} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 161 and name HA )) 2.900 2.900 3.100 peak 2450 weight 0.10000E+01 volume 0.14899E-02 ppm1 1.906 ppm2 4.955 CV 1 ASSI { 2449} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 160 and name HA )) 2.600 2.600 3.400 peak 2449 weight 0.10000E+01 volume 0.30406E-02 ppm1 1.906 ppm2 4.551 CV 1 ASSI { 2438} ( segid " " and resid 213 and name HE% ) ( segid " " and resid 183 and name HG2%) 2.400 0.700 0.900 peak 2438 weight 0.10000E+01 volume 0.48650E-02 ppm1 1.904 ppm2 1.507 CV 1 ASSI { 2444} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 210 and name HA )) 2.000 0.500 0.700 peak 2444 weight 0.10000E+01 volume 0.13705E-01 ppm1 1.906 ppm2 3.675 CV 1 ASSI { 2437} ( segid " " and resid 213 and name HE% ) ( segid " " and resid 209 and name HG1%) 1.900 0.400 0.600 peak 2437 weight 0.10000E+01 volume 0.19460E-01 ppm1 1.906 ppm2 1.302 CV 1 ASSI { 2445} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 137 and name HD2 )) 2.800 1.000 1.200 peak 2445 weight 0.10000E+01 volume 0.18939E-02 ppm1 1.906 ppm2 3.941 CV 1 OR { 2445} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 137 and name HD1 )) ASSI { 2443} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 157 and name HB1 )) 2.800 2.800 3.200 peak 2443 weight 0.10000E+01 volume 0.20828E-02 ppm1 1.907 ppm2 3.107 CV 1 ASSI { 2441} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 161 and name HB )) 2.900 2.900 3.100 peak 2441 weight 0.10000E+01 volume 0.13813E-02 ppm1 1.908 ppm2 2.598 CV 1 ASSI { 2461} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 206 and name HB2 )) 2.100 0.600 0.800 peak 2461 weight 0.10000E+01 volume 0.97953E-02 ppm1 1.354 ppm2 1.627 CV 1 ASSI { 2462} ( segid " " and resid 206 and name HE% ) ( segid " " and resid 184 and name HG2%) 1.900 0.500 0.700 peak 2462 weight 0.10000E+01 volume 0.17940E-01 ppm1 1.355 ppm2 0.902 CV 1 ASSI { 2476} ( segid " " and resid 206 and name HE% ) ( segid " " and resid 198 and name HD% ) 2.000 2.000 4.000 peak 2476 weight 0.10000E+01 volume 0.70152E-02 ppm1 1.355 ppm2 7.363 CV 1 ASSI { 2477} ( segid " " and resid 206 and name HE% ) ( segid " " and resid 198 and name HE% ) 2.300 2.300 3.700 peak 2477 weight 0.10000E+01 volume 0.26498E-02 ppm1 1.355 ppm2 7.463 CV 1 ASSI { 2459} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 203 and name HB )) 2.600 0.800 1.000 peak 2459 weight 0.10000E+01 volume 0.31492E-02 ppm1 1.355 ppm2 2.059 CV 1 ASSI { 2467} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 188 and name HA )) 2.900 1.100 1.300 peak 2467 weight 0.10000E+01 volume 0.14030E-02 ppm1 1.355 ppm2 4.114 CV 1 ASSI { 2463} ( segid " " and resid 206 and name HE% ) ( segid " " and resid 203 and name HG1%) 2.000 0.500 0.700 peak 2463 weight 0.10000E+01 volume 0.15204E-01 ppm1 1.355 ppm2 0.993 CV 1 ASSI { 2455} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 203 and name HA )) 2.000 0.500 0.700 peak 2455 weight 0.10000E+01 volume 0.14204E-01 ppm1 1.355 ppm2 3.320 CV 1 ASSI { 2456} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 198 and name HB1 )) 2.300 0.600 0.800 peak 2456 weight 0.10000E+01 volume 0.65157E-02 ppm1 1.355 ppm2 3.175 CV 1 ASSI { 2471} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 198 and name HA )) 3.000 3.000 3.000 peak 2471 weight 0.10000E+01 volume 0.13357E-02 ppm1 1.355 ppm2 5.318 CV 1 ASSI { 2460} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 206 and name HB1 )) 1.900 0.500 0.700 peak 2460 weight 0.10000E+01 volume 0.17006E-01 ppm1 1.355 ppm2 1.943 CV 1 OR { 2460} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 206 and name HG1 )) ASSI { 2469} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 188 and name HB )) 3.200 1.300 1.500 peak 2469 weight 0.10000E+01 volume 0.86224E-03 ppm1 1.355 ppm2 4.468 CV 1 ASSI { 2457} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 198 and name HB2 )) 2.600 2.600 3.400 peak 2457 weight 0.10000E+01 volume 0.27366E-02 ppm1 1.354 ppm2 2.952 CV 1 ASSI { 2464} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 184 and name HG11)) 2.200 0.600 0.800 peak 2464 weight 0.10000E+01 volume 0.73410E-02 ppm1 1.355 ppm2 1.140 CV 1 ASSI { 2474} ( segid " " and resid 206 and name HE% ) ( segid " " and resid 157 and name HD% ) 2.500 2.500 3.500 peak 2474 weight 0.10000E+01 volume 0.16746E-02 ppm1 1.356 ppm2 6.893 CV 1 ASSI { 2466} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 184 and name HA )) 2.600 0.900 1.100 peak 2466 weight 0.10000E+01 volume 0.27366E-02 ppm1 1.355 ppm2 3.694 CV 1 ASSI { 2472} ( segid " " and resid 206 and name HE% ) ( segid " " and resid 157 and name HE% ) 2.700 2.700 3.300 peak 2472 weight 0.10000E+01 volume 0.10773E-02 ppm1 1.354 ppm2 6.573 CV 1 ASSI { 2486} ( segid " " and resid 215 and name HD1%) (( segid " " and resid 215 and name HB )) 1.900 0.500 0.700 peak 2486 weight 0.10000E+01 volume 0.17201E-01 ppm1 0.861 ppm2 2.010 CV 1 OR { 2486} ( segid " " and resid 215 and name HD1%) (( segid " " and resid 215 and name HG11)) ASSI { 2485} ( segid " " and resid 215 and name HD1%) (( segid " " and resid 211 and name HG1 )) 2.200 0.600 0.800 peak 2485 weight 0.10000E+01 volume 0.87962E-02 ppm1 0.861 ppm2 2.133 CV 1 ASSI { 2487} ( segid " " and resid 215 and name HD1%) ( segid " " and resid 176 and name HG1%) 2.200 2.200 3.800 peak 2487 weight 0.10000E+01 volume 0.84270E-02 ppm1 0.861 ppm2 1.071 CV 1 OR { 2487} ( segid " " and resid 215 and name HD1%) ( segid " " and resid 176 and name HG2%) ASSI { 2484} ( segid " " and resid 215 and name HD1%) (( segid " " and resid 212 and name HG2 )) 3.100 1.200 1.400 peak 2484 weight 0.10000E+01 volume 0.97518E-03 ppm1 0.863 ppm2 2.454 CV 1 ASSI { 2502} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 183 and name HB )) 3.100 1.200 1.400 peak 2502 weight 0.10000E+01 volume 0.94261E-03 ppm1 0.790 ppm2 4.489 CV 1 ASSI { 2492} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 206 and name HB2 )) 2.400 2.400 3.600 peak 2492 weight 0.10000E+01 volume 0.51040E-02 ppm1 0.790 ppm2 1.633 CV 1 OR { 2492} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 206 and name HG2 )) ASSI { 2489} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 207 and name HA )) 1.900 0.500 0.700 peak 2489 weight 0.10000E+01 volume 0.17027E-01 ppm1 0.788 ppm2 3.684 CV 1 ASSI { 2491} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 184 and name HG12)) 2.100 0.600 0.800 peak 2491 weight 0.10000E+01 volume 0.92523E-02 ppm1 0.789 ppm2 1.884 CV 1 ASSI { 2490} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 210 and name HB )) 2.400 0.700 0.900 peak 2490 weight 0.10000E+01 volume 0.45828E-02 ppm1 0.788 ppm2 2.260 CV 1 ASSI { 2493} ( segid " " and resid 184 and name HD1%) ( segid " " and resid 206 and name HE% ) 2.600 0.900 1.100 peak 2493 weight 0.10000E+01 volume 0.27583E-02 ppm1 0.788 ppm2 1.341 CV 1 ASSI { 2506} ( segid " " and resid 184 and name HD1%) ( segid " " and resid 183 and name HG2%) 2.900 1.000 1.200 peak 2506 weight 0.10000E+01 volume 0.16181E-02 ppm1 0.792 ppm2 1.502 CV 1 ASSI { 2499} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 203 and name HA )) 3.200 1.300 1.500 peak 2499 weight 0.10000E+01 volume 0.83618E-03 ppm1 0.788 ppm2 3.325 CV 1 ASSI { 2522} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 208 and name HA )) 3.000 1.200 1.400 peak 2522 weight 0.10000E+01 volume 0.11337E-02 ppm1 0.485 ppm2 4.248 CV 1 ASSI { 2511} ( segid " " and resid 139 and name HD1%) ( segid " " and resid 150 and name HE% ) 2.500 2.500 3.500 peak 2511 weight 0.10000E+01 volume 0.16442E-02 ppm1 0.488 ppm2 7.016 CV 1 ASSI { 2523} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 212 and name HG1 )) 2.200 0.600 0.800 peak 2523 weight 0.10000E+01 volume 0.70804E-02 ppm1 0.488 ppm2 2.457 CV 1 ASSI { 2527} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 137 and name HB2 )) 2.300 0.700 0.900 peak 2527 weight 0.10000E+01 volume 0.55166E-02 ppm1 0.488 ppm2 1.783 CV 1 ASSI { 2514} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 137 and name HA )) 3.500 1.300 1.500 peak 2514 weight 0.10000E+01 volume 0.86442E-03 ppm1 0.487 ppm2 4.433 CV 1 ASSI { 2524} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 208 and name HB1 )) 2.300 0.700 0.900 peak 2524 weight 0.10000E+01 volume 0.59076E-02 ppm1 0.488 ppm2 2.147 CV 1 ASSI { 2525} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 137 and name HB1 )) 2.500 0.800 1.000 peak 2525 weight 0.10000E+01 volume 0.39528E-02 ppm1 0.488 ppm2 2.275 CV 1 ASSI { 2528} ( segid " " and resid 139 and name HD1%) ( segid " " and resid 209 and name HG2%) 2.200 0.600 0.800 peak 2528 weight 0.10000E+01 volume 0.91654E-02 ppm1 0.488 ppm2 1.322 CV 1 ASSI { 2526} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 208 and name HB2 )) 2.200 0.600 0.800 peak 2526 weight 0.10000E+01 volume 0.73193E-02 ppm1 0.488 ppm2 1.979 CV 1 ASSI { 2517} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 209 and name HA )) 2.200 0.600 0.800 peak 2517 weight 0.10000E+01 volume 0.91654E-02 ppm1 0.488 ppm2 3.848 CV 1 ASSI { 2529} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 139 and name HG11)) 2.100 0.500 0.700 peak 2529 weight 0.10000E+01 volume 0.12162E-01 ppm1 0.486 ppm2 0.899 CV 1 ASSI { 2534} ( segid " " and resid 182 and name HD1%) ( segid " " and resid 162 and name HE% ) 2.600 2.600 3.400 peak 2534 weight 0.10000E+01 volume 0.15703E-02 ppm1 0.435 ppm2 6.792 CV 1 ASSI { 2553} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 162 and name HB2 )) 3.400 1.400 1.600 peak 2553 weight 0.10000E+01 volume 0.61248E-03 ppm1 0.440 ppm2 2.607 CV 1 OR { 2553} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 162 and name HB1 )) ASSI { 2556} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 182 and name HG12)) 1.900 0.400 0.600 peak 2556 weight 0.10000E+01 volume 0.21176E-01 ppm1 0.437 ppm2 0.893 CV 1 OR { 2556} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 182 and name HG11)) ASSI { 2546} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 179 and name HA )) 3.000 3.000 3.000 peak 2546 weight 0.10000E+01 volume 0.12423E-02 ppm1 0.438 ppm2 4.783 CV 1 ASSI { 2555} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 185 and name HD1 )) 2.100 0.600 0.800 peak 2555 weight 0.10000E+01 volume 0.96432E-02 ppm1 0.438 ppm2 1.614 CV 1 ASSI { 2554} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 185 and name HB1 )) 2.700 0.900 1.100 peak 2554 weight 0.10000E+01 volume 0.25845E-02 ppm1 0.438 ppm2 1.928 CV 1 OR { 2554} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 185 and name HB2 )) ASSI { 2552} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 185 and name HE2 )) 2.500 0.800 1.000 peak 2552 weight 0.10000E+01 volume 0.37139E-02 ppm1 0.437 ppm2 2.890 CV 1 OR { 2552} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 185 and name HE1 )) ASSI { 2558} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 139 and name HD1%) 2.700 2.700 3.300 peak 2558 weight 0.10000E+01 volume 0.21089E-02 ppm1 0.910 ppm2 0.456 CV 1 ASSI { 2536} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 150 and name HE% ) 2.500 0.800 1.000 peak 2536 weight 0.10000E+01 volume 0.17549E-02 ppm1 0.911 ppm2 7.025 CV 1 ASSI { 2544} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HG11)) 2.100 0.500 0.700 peak 2544 weight 0.10000E+01 volume 0.11185E-01 ppm1 0.910 ppm2 1.595 CV 1 ASSI { 2541} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 151 and name HD1 )) 3.000 1.100 1.300 peak 2541 weight 0.10000E+01 volume 0.12162E-02 ppm1 0.911 ppm2 3.395 CV 1 ASSI { 2538} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 137 and name HA )) 3.200 1.200 1.400 peak 2538 weight 0.10000E+01 volume 0.91437E-03 ppm1 0.913 ppm2 4.433 CV 1 ASSI { 2539} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HA )) 2.200 0.600 0.800 peak 2539 weight 0.10000E+01 volume 0.71456E-02 ppm1 0.910 ppm2 4.161 CV 1 ASSI { 2545} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HG12)) 2.100 0.600 0.800 peak 2545 weight 0.10000E+01 volume 0.10360E-01 ppm1 0.910 ppm2 1.397 CV 1 ASSI { 2573} (( segid " " and resid 183 and name HA )) (( segid " " and resid 186 and name HB1 )) 2.900 2.900 3.100 peak 2573 weight 0.10000E+01 volume 0.15116E-02 ppm1 4.081 ppm2 1.970 CV 1 ASSI { 2572} (( segid " " and resid 183 and name HA )) (( segid " " and resid 186 and name HB2 )) 2.900 1.100 1.300 peak 2572 weight 0.10000E+01 volume 0.15116E-02 ppm1 4.080 ppm2 1.905 CV 1 ASSI { 73} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HB1 )) 2.500 0.800 1.000 peak 73 weight 0.10000E+01 volume 0.40614E-02 ppm1 3.317 ppm2 1.953 CV 1 ASSI { 72} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HB2 )) 2.700 2.700 3.300 peak 72 weight 0.10000E+01 volume 0.22370E-02 ppm1 3.317 ppm2 1.628 CV 1 ASSI { 2570} (( segid " " and resid 176 and name HA )) (( segid " " and resid 179 and name HB2 )) 2.900 1.100 1.300 peak 2570 weight 0.10000E+01 volume 0.13944E-02 ppm1 3.513 ppm2 2.981 CV 1 ASSI { 64} (( segid " " and resid 176 and name HA )) (( segid " " and resid 179 and name HB1 )) 2.800 1.000 1.200 peak 64 weight 0.10000E+01 volume 0.18765E-02 ppm1 3.529 ppm2 3.392 CV 1 ASSI { 83} (( segid " " and resid 216 and name HA )) (( segid " " and resid 219 and name HB2 )) 2.700 0.900 1.100 peak 83 weight 0.10000E+01 volume 0.24542E-02 ppm1 3.968 ppm2 2.081 CV 1 ASSI { 84} (( segid " " and resid 216 and name HA )) (( segid " " and resid 219 and name HB1 )) 2.400 2.400 3.600 peak 84 weight 0.10000E+01 volume 0.47130E-02 ppm1 3.970 ppm2 2.369 CV 1 ASSI { 101} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HB1 )) 2.200 0.600 0.800 peak 101 weight 0.10000E+01 volume 0.85356E-02 ppm1 3.816 ppm2 1.975 CV 1 OR { 101} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HB2 )) ASSI { 2588} (( segid " " and resid 210 and name HA )) (( segid " " and resid 213 and name HB2 )) 2.400 0.700 0.900 peak 2588 weight 0.10000E+01 volume 0.48650E-02 ppm1 3.673 ppm2 2.162 CV 1 ASSI { 2587} (( segid " " and resid 210 and name HA )) (( segid " " and resid 213 and name HB1 )) 2.400 2.400 3.600 peak 2587 weight 0.10000E+01 volume 0.48650E-02 ppm1 3.673 ppm2 2.156 CV 1 ASSI { 2575} (( segid " " and resid 184 and name HA )) (( segid " " and resid 187 and name HB2 )) 2.800 1.000 1.200 peak 2575 weight 0.10000E+01 volume 0.18439E-02 ppm1 3.692 ppm2 3.195 CV 1 ASSI { 2585} (( segid " " and resid 209 and name HA )) (( segid " " and resid 212 and name HB2 )) 2.700 0.900 1.100 peak 2585 weight 0.10000E+01 volume 0.25412E-02 ppm1 3.833 ppm2 2.154 CV 1 ASSI { 2717} (( segid " " and resid 189 and name HA )) ( segid " " and resid 189 and name HG1%) 2.000 0.500 0.700 peak 2717 weight 0.10000E+01 volume 0.12727E-01 ppm1 3.963 ppm2 1.063 CV 1 ASSI { 2577} (( segid " " and resid 190 and name HA )) (( segid " " and resid 193 and name HB )) 2.000 2.000 4.000 peak 2577 weight 0.10000E+01 volume 0.15159E-01 ppm1 4.175 ppm2 4.318 CV 1 ASSI { 147} (( segid " " and resid 191 and name HA )) (( segid " " and resid 194 and name HB2 )) 2.500 0.800 1.000 peak 147 weight 0.10000E+01 volume 0.34967E-02 ppm1 4.151 ppm2 1.849 CV 1 ASSI { 148} (( segid " " and resid 191 and name HA )) (( segid " " and resid 194 and name HB1 )) 2.800 2.800 3.200 peak 148 weight 0.10000E+01 volume 0.18722E-02 ppm1 4.151 ppm2 1.996 CV 1 ASSI { 154} (( segid " " and resid 132 and name HB1 )) ( segid " " and resid 133 and name HB% ) 3.000 3.000 3.000 peak 154 weight 0.10000E+01 volume 0.13162E-02 ppm1 3.977 ppm2 1.299 CV 1 ASSI { 182} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HD1 )) 3.000 1.100 1.300 peak 182 weight 0.10000E+01 volume 0.11684E-02 ppm1 4.372 ppm2 3.180 CV 1 ASSI { 179} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB2 )) 2.500 0.800 1.000 peak 179 weight 0.10000E+01 volume 0.41918E-02 ppm1 4.368 ppm2 1.651 CV 1 ASSI { 180} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB1 )) 2.200 0.600 0.800 peak 180 weight 0.10000E+01 volume 0.73193E-02 ppm1 4.368 ppm2 2.438 CV 1 ASSI { 188} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 134 and name HA )) 3.200 3.200 2.800 peak 188 weight 0.10000E+01 volume 0.80578E-03 ppm1 3.753 ppm2 4.745 CV 1 ASSI { 199} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HB1 )) 2.800 1.000 1.200 peak 199 weight 0.10000E+01 volume 0.17245E-02 ppm1 4.130 ppm2 2.161 CV 1 ASSI { 2633} (( segid " " and resid 149 and name HA )) ( segid " " and resid 149 and name HE% ) 2.600 2.600 3.400 peak 2633 weight 0.10000E+01 volume 0.12706E-02 ppm1 3.839 ppm2 6.878 CV 1 ASSI { 273} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HB2 )) 2.400 2.400 3.600 peak 273 weight 0.10000E+01 volume 0.48868E-02 ppm1 4.213 ppm2 1.920 CV 1 ASSI { 2594} (( segid " " and resid 211 and name HA )) (( segid " " and resid 214 and name HB1 )) 2.100 2.100 3.900 peak 2594 weight 0.10000E+01 volume 0.10034E-01 ppm1 3.613 ppm2 3.550 CV 1 ASSI { 2592} (( segid " " and resid 211 and name HA )) (( segid " " and resid 214 and name HB2 )) 3.200 1.300 1.500 peak 2592 weight 0.10000E+01 volume 0.85790E-03 ppm1 3.609 ppm2 2.902 CV 1 ASSI { 261} (( segid " " and resid 222 and name HA )) (( segid " " and resid 225 and name HB1 )) 2.700 0.900 1.100 peak 261 weight 0.10000E+01 volume 0.25845E-02 ppm1 3.925 ppm2 3.025 CV 1 ASSI { 2582} (( segid " " and resid 207 and name HA )) (( segid " " and resid 210 and name HB )) 2.300 2.300 3.700 peak 2582 weight 0.10000E+01 volume 0.54080E-02 ppm1 3.677 ppm2 2.272 CV 1 ASSI { 2623} (( segid " " and resid 225 and name HA )) ( segid " " and resid 225 and name HE% ) 2.500 2.500 3.500 peak 2623 weight 0.10000E+01 volume 0.17158E-02 ppm1 4.187 ppm2 6.637 CV 1 ASSI { 301} (( segid " " and resid 205 and name HA )) ( segid " " and resid 141 and name HD% ) 2.400 2.400 3.600 peak 301 weight 0.10000E+01 volume 0.22588E-02 ppm1 4.182 ppm2 6.778 CV 1 ASSI { 2601} (( segid " " and resid 225 and name HA )) (( segid " " and resid 228 and name HB1 )) 2.800 1.000 1.200 peak 2601 weight 0.10000E+01 volume 0.20481E-02 ppm1 4.187 ppm2 1.853 CV 1 ASSI { 312} (( segid " " and resid 185 and name HA )) (( segid " " and resid 188 and name HB )) 2.500 2.500 3.500 peak 312 weight 0.10000E+01 volume 0.37139E-02 ppm1 4.063 ppm2 4.465 CV 1 ASSI { 2600} (( segid " " and resid 225 and name HA )) (( segid " " and resid 228 and name HB2 )) 2.700 0.900 1.100 peak 2600 weight 0.10000E+01 volume 0.23891E-02 ppm1 4.186 ppm2 1.819 CV 1 ASSI { 332} (( segid " " and resid 151 and name HA )) (( segid " " and resid 154 and name HB2 )) 3.200 1.300 1.500 peak 332 weight 0.10000E+01 volume 0.83401E-03 ppm1 3.941 ppm2 1.354 CV 1 ASSI { 2596} (( segid " " and resid 213 and name HA )) (( segid " " and resid 216 and name HB )) 2.300 0.700 0.900 peak 2596 weight 0.10000E+01 volume 0.59944E-02 ppm1 4.177 ppm2 4.319 CV 1 ASSI { 362} (( segid " " and resid 205 and name HA )) (( segid " " and resid 208 and name HB2 )) 2.300 0.700 0.900 peak 362 weight 0.10000E+01 volume 0.58641E-02 ppm1 4.158 ppm2 1.972 CV 1 ASSI { 2581} (( segid " " and resid 206 and name HA )) (( segid " " and resid 209 and name HB )) 2.600 0.800 1.000 peak 2581 weight 0.10000E+01 volume 0.31059E-02 ppm1 3.590 ppm2 2.331 CV 1 ASSI { 360} (( segid " " and resid 205 and name HA )) (( segid " " and resid 208 and name HB1 )) 2.200 2.200 3.800 peak 360 weight 0.10000E+01 volume 0.89265E-02 ppm1 4.166 ppm2 2.151 CV 1 ASSI { 2617} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HN )) 3.000 1.100 1.300 peak 2617 weight 0.10000E+01 volume 0.59293E-03 ppm1 4.328 ppm2 9.108 CV 1 ASSI { 345} (( segid " " and resid 219 and name HA )) (( segid " " and resid 222 and name HB2 )) 3.000 1.100 1.300 peak 345 weight 0.10000E+01 volume 0.12511E-02 ppm1 3.759 ppm2 3.418 CV 1 ASSI { 361} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HB )) 2.500 0.800 1.000 peak 361 weight 0.10000E+01 volume 0.37791E-02 ppm1 4.328 ppm2 2.187 CV 1 ASSI { 358} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB1 )) 2.200 0.600 0.800 peak 358 weight 0.10000E+01 volume 0.77971E-02 ppm1 4.332 ppm2 3.377 CV 1 ASSI { 356} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB2 )) 2.800 1.000 1.200 peak 356 weight 0.10000E+01 volume 0.19720E-02 ppm1 4.356 ppm2 2.820 CV 1 ASSI { 370} (( segid " " and resid 154 and name HA )) (( segid " " and resid 157 and name HB2 )) 2.700 2.700 3.300 peak 370 weight 0.10000E+01 volume 0.23456E-02 ppm1 3.446 ppm2 3.114 CV 1 ASSI { 379} (( segid " " and resid 226 and name HA )) ( segid " " and resid 225 and name HD% ) 2.900 2.900 3.100 peak 379 weight 0.10000E+01 volume 0.67546E-03 ppm1 4.385 ppm2 6.713 CV 1 ASSI { 395} (( segid " " and resid 226 and name HA )) (( segid " " and resid 226 and name HB1 )) 2.200 0.600 0.800 peak 395 weight 0.10000E+01 volume 0.89482E-02 ppm1 4.387 ppm2 3.170 CV 1 ASSI { 2579} (( segid " " and resid 204 and name HA )) (( segid " " and resid 207 and name HB1 )) 2.500 2.500 3.500 peak 2579 weight 0.10000E+01 volume 0.34967E-02 ppm1 4.117 ppm2 2.214 CV 1 ASSI { 2584} (( segid " " and resid 208 and name HA )) (( segid " " and resid 211 and name HB2 )) 2.300 2.300 3.700 peak 2584 weight 0.10000E+01 volume 0.64505E-02 ppm1 4.241 ppm2 2.174 CV 1 ASSI { 443} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB1 )) 3.200 1.300 1.500 peak 443 weight 0.10000E+01 volume 0.79709E-03 ppm1 4.693 ppm2 3.597 CV 1 ASSI { 442} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB2 )) 3.000 3.000 3.000 peak 442 weight 0.10000E+01 volume 0.12336E-02 ppm1 4.690 ppm2 3.277 CV 1 ASSI { 2583} (( segid " " and resid 208 and name HA )) (( segid " " and resid 211 and name HB1 )) 2.600 0.900 1.100 peak 2583 weight 0.10000E+01 volume 0.26498E-02 ppm1 4.241 ppm2 2.238 CV 1 ASSI { 486} (( segid " " and resid 202 and name HA )) (( segid " " and resid 205 and name HB2 )) 2.700 2.700 3.300 peak 486 weight 0.10000E+01 volume 0.21697E-02 ppm1 4.607 ppm2 1.963 CV 1 ASSI { 484} (( segid " " and resid 202 and name HA )) (( segid " " and resid 205 and name HB1 )) 2.700 2.700 3.300 peak 484 weight 0.10000E+01 volume 0.25628E-02 ppm1 4.609 ppm2 2.325 CV 1 ASSI { 2576} (( segid " " and resid 186 and name HA )) (( segid " " and resid 189 and name HB )) 2.100 2.100 3.900 peak 2576 weight 0.10000E+01 volume 0.10099E-01 ppm1 4.045 ppm2 2.224 CV 1 ASSI { 2566} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HB2 )) 2.200 0.600 0.800 peak 2566 weight 0.10000E+01 volume 0.74496E-02 ppm1 4.504 ppm2 2.876 CV 1 ASSI { 510} (( segid " " and resid 162 and name HA )) ( segid " " and resid 162 and name HE% ) 2.600 2.600 3.400 peak 510 weight 0.10000E+01 volume 0.14704E-02 ppm1 5.555 ppm2 6.925 CV 1 ASSI { 552} (( segid " " and resid 181 and name HA )) (( segid " " and resid 184 and name HB )) 2.600 0.900 1.100 peak 552 weight 0.10000E+01 volume 0.26280E-02 ppm1 4.328 ppm2 2.091 CV 1 ASSI { 2567} (( segid " " and resid 173 and name HA )) (( segid " " and resid 176 and name HB )) 2.400 2.400 3.600 peak 2567 weight 0.10000E+01 volume 0.42352E-02 ppm1 4.249 ppm2 2.241 CV 1 ASSI { 2569} (( segid " " and resid 174 and name HA )) (( segid " " and resid 177 and name HB1 )) 2.400 2.400 3.600 peak 2569 weight 0.10000E+01 volume 0.49303E-02 ppm1 4.557 ppm2 3.390 CV 1 ASSI { 2568} (( segid " " and resid 174 and name HA )) (( segid " " and resid 177 and name HB2 )) 2.400 0.700 0.900 peak 2568 weight 0.10000E+01 volume 0.49303E-02 ppm1 4.560 ppm2 3.346 CV 1 ASSI { 599} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HB2 )) 3.200 1.300 1.500 peak 599 weight 0.10000E+01 volume 0.77971E-03 ppm1 4.403 ppm2 2.874 CV 1 ASSI { 2598} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HB2 )) 2.500 2.500 3.500 peak 2598 weight 0.10000E+01 volume 0.39095E-02 ppm1 4.180 ppm2 2.063 CV 1 ASSI { 2599} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HB1 )) 2.500 2.500 3.500 peak 2599 weight 0.10000E+01 volume 0.35836E-02 ppm1 4.181 ppm2 2.136 CV 1 ASSI { 655} (( segid " " and resid 130 and name HA )) ( segid " " and resid 130 and name HD1%) 2.800 1.000 1.200 peak 655 weight 0.10000E+01 volume 0.17027E-02 ppm1 4.520 ppm2 0.620 CV 1 ASSI { 666} (( segid " " and resid 133 and name HA )) (( segid " " and resid 160 and name HB2 )) 2.700 2.700 3.300 peak 666 weight 0.10000E+01 volume 0.24542E-02 ppm1 4.453 ppm2 1.722 CV 1 ASSI { 2642} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB1 )) 2.600 0.800 1.000 peak 2642 weight 0.10000E+01 volume 0.31059E-02 ppm1 4.522 ppm2 1.608 CV 1 ASSI { 668} (( segid " " and resid 133 and name HA )) (( segid " " and resid 160 and name HG1 )) 2.200 2.200 3.800 peak 668 weight 0.10000E+01 volume 0.72107E-02 ppm1 4.452 ppm2 2.174 CV 1 ASSI { 692} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB2 )) 2.300 0.700 0.900 peak 692 weight 0.10000E+01 volume 0.58424E-02 ppm1 4.712 ppm2 2.460 CV 1 ASSI { 696} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB1 )) 2.300 0.700 0.900 peak 696 weight 0.10000E+01 volume 0.54515E-02 ppm1 4.711 ppm2 3.636 CV 1 ASSI { 754} (( segid " " and resid 158 and name HD1 )) ( segid " " and resid 157 and name HD% ) 3.100 3.100 2.900 peak 754 weight 0.10000E+01 volume 0.52560E-03 ppm1 3.179 ppm2 6.884 CV 1 ASSI { 767} (( segid " " and resid 158 and name HD1 )) (( segid " " and resid 158 and name HB2 )) 2.900 1.100 1.300 peak 767 weight 0.10000E+01 volume 0.14834E-02 ppm1 3.179 ppm2 1.652 CV 1 ASSI { 763} (( segid " " and resid 158 and name HD1 )) (( segid " " and resid 158 and name HB1 )) 3.500 1.500 1.700 peak 763 weight 0.10000E+01 volume 0.52343E-03 ppm1 3.176 ppm2 2.445 CV 1 ASSI { 755} (( segid " " and resid 158 and name HD1 )) (( segid " " and resid 157 and name HA )) 2.700 0.900 1.100 peak 755 weight 0.10000E+01 volume 0.21067E-02 ppm1 3.185 ppm2 5.013 CV 1 ASSI { 766} (( segid " " and resid 158 and name HD2 )) (( segid " " and resid 158 and name HB2 )) 2.900 1.000 1.200 peak 766 weight 0.10000E+01 volume 0.16138E-02 ppm1 3.069 ppm2 1.651 CV 1 ASSI { 756} (( segid " " and resid 158 and name HD2 )) (( segid " " and resid 157 and name HA )) 2.800 1.000 1.200 peak 756 weight 0.10000E+01 volume 0.18526E-02 ppm1 3.073 ppm2 5.016 CV 1 ASSI { 770} (( segid " " and resid 158 and name HD2 )) (( segid " " and resid 158 and name HG2 )) 2.800 1.000 1.200 peak 770 weight 0.10000E+01 volume 0.18070E-02 ppm1 3.072 ppm2 1.251 CV 1 ASSI { 2628} (( segid " " and resid 162 and name HB1 )) ( segid " " and resid 162 and name HE% ) 2.700 2.700 3.300 peak 2628 weight 0.10000E+01 volume 0.12185E-02 ppm1 2.612 ppm2 6.917 CV 1 ASSI { 918} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 141 and name HZ )) 2.700 2.700 3.300 peak 918 weight 0.10000E+01 volume 0.11641E-02 ppm1 3.369 ppm2 7.344 CV 1 ASSI { 976} (( segid " " and resid 225 and name HB1 )) ( segid " " and resid 225 and name HE% ) 2.700 2.700 3.300 peak 976 weight 0.10000E+01 volume 0.11316E-02 ppm1 3.032 ppm2 6.603 CV 1 ASSI { 2624} (( segid " " and resid 225 and name HB2 )) ( segid " " and resid 225 and name HE% ) 2.700 2.700 3.300 peak 2624 weight 0.10000E+01 volume 0.10968E-02 ppm1 2.837 ppm2 6.607 CV 1 ASSI { 979} (( segid " " and resid 225 and name HB2 )) ( segid " " and resid 225 and name HD% ) 2.500 0.800 1.000 peak 979 weight 0.10000E+01 volume 0.18483E-02 ppm1 2.846 ppm2 6.698 CV 1 ASSI { 1657} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 177 and name HA )) 2.400 0.700 0.900 peak 1657 weight 0.10000E+01 volume 0.49085E-02 ppm1 3.405 ppm2 4.329 CV 1 ASSI { 1658} (( segid " " and resid 177 and name HB2 )) (( segid " " and resid 177 and name HA )) 2.400 0.700 0.900 peak 1658 weight 0.10000E+01 volume 0.44524E-02 ppm1 3.346 ppm2 4.331 CV 1 ASSI { 1698} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HB1 )) 2.300 0.700 0.900 peak 1698 weight 0.10000E+01 volume 0.58858E-02 ppm1 3.033 ppm2 3.286 CV 1 ASSI { 1763} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 157 and name HA )) 3.400 1.500 1.700 peak 1763 weight 0.10000E+01 volume 0.56687E-03 ppm1 1.250 ppm2 5.015 CV 1 ASSI { 1762} (( segid " " and resid 158 and name HG2 )) (( segid " " and resid 158 and name HA )) 3.100 1.200 1.400 peak 1762 weight 0.10000E+01 volume 0.99039E-03 ppm1 1.250 ppm2 4.369 CV 1 ASSI { 2214} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 209 and name HB )) 2.100 0.500 0.700 peak 2214 weight 0.10000E+01 volume 0.11989E-01 ppm1 1.299 ppm2 2.345 CV 1 ASSI { 2273} ( segid " " and resid 133 and name HB% ) (( segid " " and resid 160 and name HG1 )) 2.400 0.700 0.900 peak 2273 weight 0.10000E+01 volume 0.42352E-02 ppm1 1.295 ppm2 2.173 CV 1 ASSI { 2275} ( segid " " and resid 133 and name HB% ) (( segid " " and resid 132 and name HB2 )) 2.800 1.000 1.200 peak 2275 weight 0.10000E+01 volume 0.18657E-02 ppm1 1.299 ppm2 3.928 CV 1 ASSI { 2281} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 205 and name HA )) 2.400 2.400 3.600 peak 2281 weight 0.10000E+01 volume 0.49303E-02 ppm1 1.489 ppm2 4.160 CV 1 ASSI { 2674} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 134 and name HA )) 2.800 2.800 3.200 peak 2674 weight 0.10000E+01 volume 0.20198E-02 ppm1 2.169 ppm2 4.743 CV 1 ASSI { 2341} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 154 and name HA )) 2.600 2.600 3.400 peak 2341 weight 0.10000E+01 volume 0.27800E-02 ppm1 2.038 ppm2 3.430 CV 1 ASSI { 2419} ( segid " " and resid 129 and name HE% ) (( segid " " and resid 129 and name HA )) 2.300 0.600 0.800 peak 2419 weight 0.10000E+01 volume 0.66677E-02 ppm1 2.004 ppm2 4.545 CV 1 ASSI { 2442} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 213 and name HG1 )) 2.400 0.700 0.900 peak 2442 weight 0.10000E+01 volume 0.51691E-02 ppm1 1.907 ppm2 2.842 CV 1 ASSI { 2446} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 213 and name HA )) 2.700 2.700 3.300 peak 2446 weight 0.10000E+01 volume 0.24759E-02 ppm1 1.906 ppm2 4.175 CV 1 ASSI { 2440} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 213 and name HB2 )) 2.000 0.500 0.700 peak 2440 weight 0.10000E+01 volume 0.15464E-01 ppm1 1.907 ppm2 2.161 CV 1 ASSI { 2465} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 206 and name HA )) 2.900 2.900 3.100 peak 2465 weight 0.10000E+01 volume 0.16029E-02 ppm1 1.355 ppm2 3.575 CV 1 ASSI { 9} (( segid " " and resid 139 and name HN )) ( segid " " and resid 150 and name HD% ) 3.100 1.200 1.400 peak 9 weight 0.10000E+01 volume 0.10496E-02 ppm1 6.437 ppm2 7.526 CV 1 ASSI { 11} (( segid " " and resid 139 and name HN )) ( segid " " and resid 141 and name HE% ) 3.400 1.500 1.700 peak 11 weight 0.10000E+01 volume 0.54953E-03 ppm1 6.437 ppm2 6.870 CV 1 ASSI { 10} (( segid " " and resid 139 and name HN )) ( segid " " and resid 150 and name HE% ) 2.500 0.800 1.000 peak 10 weight 0.10000E+01 volume 0.35546E-02 ppm1 6.437 ppm2 7.001 CV 1 ASSI { 20} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG2%) 3.000 1.100 1.300 peak 20 weight 0.10000E+01 volume 0.11139E-02 ppm1 6.439 ppm2 -0.053 CV 1 ASSI { 14} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB )) 3.200 1.200 1.400 peak 14 weight 0.10000E+01 volume 0.81687E-03 ppm1 6.440 ppm2 1.921 CV 1 ASSI { 19} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HD1%) 3.300 1.300 1.500 peak 19 weight 0.10000E+01 volume 0.65844E-03 ppm1 6.437 ppm2 0.464 CV 1 ASSI { 18} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB )) 2.400 0.700 0.900 peak 18 weight 0.10000E+01 volume 0.45250E-02 ppm1 6.437 ppm2 0.871 CV 1 OR { 18} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HG11)) ASSI { 16} (( segid " " and resid 139 and name HN )) ( segid " " and resid 209 and name HG1%) 3.400 3.400 2.600 peak 16 weight 0.10000E+01 volume 0.55448E-03 ppm1 6.442 ppm2 1.346 CV 1 ASSI { 23} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG11)) 3.600 3.600 2.400 peak 23 weight 0.10000E+01 volume 0.36932E-03 ppm1 6.440 ppm2 1.581 CV 1 ASSI { 25} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HN )) 3.200 1.100 1.500 peak 25 weight 0.10000E+01 volume 0.11486E-02 ppm1 8.649 ppm2 8.436 CV 1 ASSI { 31} (( segid " " and resid 136 and name HN )) (( segid " " and resid 159 and name HB1 )) 3.100 1.200 1.400 peak 31 weight 0.10000E+01 volume 0.85152E-03 ppm1 8.649 ppm2 3.602 CV 1 ASSI { 30} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) 2.600 0.900 1.100 peak 30 weight 0.10000E+01 volume 0.23070E-02 ppm1 8.651 ppm2 3.782 CV 1 ASSI { 52} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB2 )) 2.300 0.700 0.900 peak 52 weight 0.10000E+01 volume 0.50992E-02 ppm1 8.765 ppm2 3.935 CV 1 ASSI { 58} (( segid " " and resid 133 and name HN )) (( segid " " and resid 160 and name HB2 )) 3.700 1.700 1.700 peak 58 weight 0.10000E+01 volume 0.33269E-03 ppm1 8.765 ppm2 1.699 CV 1 ASSI { 57} (( segid " " and resid 133 and name HN )) (( segid " " and resid 160 and name HG2 )) 3.000 1.100 1.300 peak 57 weight 0.10000E+01 volume 0.10347E-02 ppm1 8.765 ppm2 2.006 CV 1 ASSI { 56} (( segid " " and resid 133 and name HN )) (( segid " " and resid 160 and name HG1 )) 3.000 1.200 1.400 peak 56 weight 0.10000E+01 volume 0.10149E-02 ppm1 8.765 ppm2 2.157 CV 1 ASSI { 59} (( segid " " and resid 133 and name HN )) ( segid " " and resid 133 and name HB% ) 2.000 0.500 0.700 peak 59 weight 0.10000E+01 volume 0.11832E-01 ppm1 8.765 ppm2 1.274 CV 1 ASSI { 53} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HN )) 3.100 3.100 2.900 peak 53 weight 0.10000E+01 volume 0.10298E-02 ppm1 8.766 ppm2 8.389 CV 1 ASSI { 1885} (( segid " " and resid 180 and name HN )) ( segid " " and resid 180 and name HG2%) 2.800 1.000 1.200 peak 1885 weight 0.10000E+01 volume 0.18169E-02 ppm1 9.151 ppm2 0.969 CV 1 ASSI { 72} (( segid " " and resid 180 and name HN )) ( segid " " and resid 210 and name HG1%) 3.200 1.300 1.500 peak 72 weight 0.10000E+01 volume 0.70795E-03 ppm1 9.150 ppm2 1.213 CV 1 ASSI { 63} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HA )) 3.200 1.300 1.500 peak 63 weight 0.10000E+01 volume 0.68320E-03 ppm1 9.147 ppm2 4.741 CV 1 ASSI { 70} (( segid " " and resid 180 and name HN )) (( segid " " and resid 180 and name HB )) 2.500 0.800 1.000 peak 70 weight 0.10000E+01 volume 0.36684E-02 ppm1 9.148 ppm2 2.165 CV 1 ASSI { 67} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HB1 )) 3.000 1.100 1.300 peak 67 weight 0.10000E+01 volume 0.11486E-02 ppm1 9.148 ppm2 3.358 CV 1 ASSI { 94} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HN )) 2.500 0.800 1.000 peak 94 weight 0.10000E+01 volume 0.32526E-02 ppm1 9.042 ppm2 8.579 CV 1 ASSI { 92} (( segid " " and resid 144 and name HN )) (( segid " " and resid 146 and name HN )) 3.600 1.600 1.600 peak 92 weight 0.10000E+01 volume 0.42527E-03 ppm1 9.042 ppm2 7.724 CV 1 ASSI { 86} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.600 1.500 1.800 peak 86 weight 0.10000E+01 volume 0.49507E-03 ppm1 9.042 ppm2 3.239 CV 1 ASSI { 85} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB2 )) 2.100 0.600 0.800 peak 85 weight 0.10000E+01 volume 0.87132E-02 ppm1 9.042 ppm2 2.746 CV 1 OR { 85} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB1 )) ASSI { 87} (( segid " " and resid 144 and name HN )) (( segid " " and resid 147 and name HB1 )) 3.700 3.700 2.300 peak 87 weight 0.10000E+01 volume 0.33021E-03 ppm1 9.045 ppm2 3.024 CV 1 ASSI { 98} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HN )) 3.200 1.300 1.500 peak 98 weight 0.10000E+01 volume 0.87132E-03 ppm1 9.044 ppm2 7.319 CV 1 ASSI { 99} (( segid " " and resid 215 and name HN )) (( segid " " and resid 214 and name HA )) 2.000 2.000 4.000 peak 99 weight 0.10000E+01 volume 0.11931E-01 ppm1 8.328 ppm2 4.431 CV 1 ASSI { 105} (( segid " " and resid 215 and name HN )) (( segid " " and resid 213 and name HA )) 3.400 1.400 1.600 peak 105 weight 0.10000E+01 volume 0.56438E-03 ppm1 8.334 ppm2 4.183 CV 1 ASSI { 131} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 2.900 1.000 1.200 peak 131 weight 0.10000E+01 volume 0.14802E-02 ppm1 10.297 ppm2 9.003 CV 1 ASSI { 121} (( segid " " and resid 141 and name HN )) ( segid " " and resid 139 and name HG2%) 3.900 1.900 1.900 peak 121 weight 0.10000E+01 volume 0.22576E-03 ppm1 10.303 ppm2 -0.054 CV 1 ASSI { 123} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.700 1.700 1.700 peak 123 weight 0.10000E+01 volume 0.30843E-03 ppm1 10.294 ppm2 3.815 CV 1 ASSI { 118} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 2.800 1.000 1.200 peak 118 weight 0.10000E+01 volume 0.16733E-02 ppm1 10.297 ppm2 2.789 CV 1 ASSI { 129} (( segid " " and resid 141 and name HN )) ( segid " " and resid 141 and name HD% ) 2.600 0.800 1.000 peak 129 weight 0.10000E+01 volume 0.30447E-02 ppm1 10.297 ppm2 7.315 CV 1 ASSI { 128} (( segid " " and resid 141 and name HN )) ( segid " " and resid 141 and name HE% ) 3.600 1.600 1.600 peak 128 weight 0.10000E+01 volume 0.41636E-03 ppm1 10.297 ppm2 6.879 CV 1 ASSI { 110} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HB )) 2.300 0.700 0.900 peak 110 weight 0.10000E+01 volume 0.51983E-02 ppm1 8.338 ppm2 2.002 CV 1 OR { 110} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HG11)) ASSI { 117} (( segid " " and resid 215 and name HN )) ( segid " " and resid 176 and name HG1%) 2.800 1.000 1.200 peak 117 weight 0.10000E+01 volume 0.15397E-02 ppm1 8.339 ppm2 1.048 CV 1 ASSI { 120} (( segid " " and resid 141 and name HN )) (( segid " " and resid 146 and name HB1 )) 3.800 1.800 1.800 peak 120 weight 0.10000E+01 volume 0.26486E-03 ppm1 10.305 ppm2 1.942 CV 1 ASSI { 116} (( segid " " and resid 215 and name HN )) ( segid " " and resid 215 and name HD1%) 2.400 0.700 0.900 peak 116 weight 0.10000E+01 volume 0.45893E-02 ppm1 8.338 ppm2 0.856 CV 1 OR { 116} (( segid " " and resid 215 and name HN )) ( segid " " and resid 215 and name HG2%) ASSI { 109} (( segid " " and resid 215 and name HN )) (( segid " " and resid 214 and name HB2 )) 3.200 1.300 1.500 peak 109 weight 0.10000E+01 volume 0.70300E-03 ppm1 8.337 ppm2 2.883 CV 1 ASSI { 148} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HG1 )) 2.800 2.800 3.200 peak 148 weight 0.10000E+01 volume 0.16932E-02 ppm1 8.056 ppm2 1.372 CV 1 ASSI { 150} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HB2 )) 2.200 0.600 0.800 peak 150 weight 0.10000E+01 volume 0.63369E-02 ppm1 8.054 ppm2 1.904 CV 1 OR { 150} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HB1 )) ASSI { 151} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HB )) 2.600 0.800 1.000 peak 151 weight 0.10000E+01 volume 0.26090E-02 ppm1 8.055 ppm2 2.047 CV 1 ASSI { 166} (( segid " " and resid 189 and name HN )) (( segid " " and resid 186 and name HA )) 2.400 2.400 3.600 peak 166 weight 0.10000E+01 volume 0.42923E-02 ppm1 8.047 ppm2 4.069 CV 1 ASSI { 165} (( segid " " and resid 189 and name HN )) (( segid " " and resid 187 and name HB2 )) 3.600 1.600 1.600 peak 165 weight 0.10000E+01 volume 0.35348E-03 ppm1 8.040 ppm2 3.153 CV 1 ASSI { 183} (( segid " " and resid 189 and name HN )) (( segid " " and resid 187 and name HA )) 3.500 1.500 1.700 peak 183 weight 0.10000E+01 volume 0.45052E-03 ppm1 8.042 ppm2 4.601 CV 1 ASSI { 171} (( segid " " and resid 189 and name HN )) ( segid " " and resid 189 and name HG1%) 2.200 2.200 3.800 peak 171 weight 0.10000E+01 volume 0.65844E-02 ppm1 8.044 ppm2 1.042 CV 1 ASSI { 172} (( segid " " and resid 189 and name HN )) ( segid " " and resid 188 and name HG2%) 2.600 2.600 3.400 peak 172 weight 0.10000E+01 volume 0.23169E-02 ppm1 8.044 ppm2 1.251 CV 1 ASSI { 180} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HB )) 2.500 2.500 3.500 peak 180 weight 0.10000E+01 volume 0.32873E-02 ppm1 8.043 ppm2 4.453 CV 1 ASSI { 179} (( segid " " and resid 189 and name HN )) (( segid " " and resid 189 and name HA )) 2.400 0.700 0.900 peak 179 weight 0.10000E+01 volume 0.38516E-02 ppm1 8.044 ppm2 3.932 CV 1 ASSI { 176} (( segid " " and resid 189 and name HN )) (( segid " " and resid 189 and name HB )) 2.200 0.600 0.800 peak 176 weight 0.10000E+01 volume 0.71290E-02 ppm1 8.044 ppm2 2.222 CV 1 ASSI { 199} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HN )) 2.400 0.700 0.900 peak 199 weight 0.10000E+01 volume 0.42328E-02 ppm1 8.043 ppm2 8.349 CV 1 ASSI { 178} (( segid " " and resid 189 and name HN )) (( segid " " and resid 187 and name HB1 )) 3.800 1.800 1.800 peak 178 weight 0.10000E+01 volume 0.25744E-03 ppm1 8.045 ppm2 3.352 CV 1 ASSI { 198} (( segid " " and resid 138 and name HN )) ( segid " " and resid 150 and name HE% ) 3.600 1.600 1.600 peak 198 weight 0.10000E+01 volume 0.41734E-03 ppm1 8.651 ppm2 6.993 CV 1 ASSI { 206} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HG12)) 2.600 0.800 1.000 peak 206 weight 0.10000E+01 volume 0.26387E-02 ppm1 8.654 ppm2 1.379 CV 1 ASSI { 209} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HN )) 3.300 1.400 1.600 peak 209 weight 0.10000E+01 volume 0.65844E-03 ppm1 8.656 ppm2 6.434 CV 1 ASSI { 203} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB )) 2.200 0.600 0.800 peak 203 weight 0.10000E+01 volume 0.73765E-02 ppm1 8.654 ppm2 1.906 CV 1 ASSI { 207} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HD1%) 2.800 1.000 1.200 peak 207 weight 0.10000E+01 volume 0.16535E-02 ppm1 8.656 ppm2 0.883 CV 1 ASSI { 208} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HG2%) 2.600 2.600 3.400 peak 208 weight 0.10000E+01 volume 0.25150E-02 ppm1 8.655 ppm2 0.729 CV 1 ASSI { 201} (( segid " " and resid 138 and name HN )) (( segid " " and resid 212 and name HB1 )) 2.600 2.600 3.400 peak 201 weight 0.10000E+01 volume 0.26536E-02 ppm1 8.655 ppm2 2.243 CV 1 ASSI { 232} (( segid " " and resid 217 and name HN )) (( segid " " and resid 217 and name HB2 )) 2.600 0.800 1.000 peak 232 weight 0.10000E+01 volume 0.25892E-02 ppm1 8.696 ppm2 2.272 CV 1 ASSI { 233} (( segid " " and resid 217 and name HN )) (( segid " " and resid 219 and name HB2 )) 2.500 2.500 3.500 peak 233 weight 0.10000E+01 volume 0.31388E-02 ppm1 8.696 ppm2 2.109 CV 1 ASSI { 237} (( segid " " and resid 217 and name HN )) ( segid " " and resid 161 and name HG2%) 3.100 1.200 1.400 peak 237 weight 0.10000E+01 volume 0.93568E-03 ppm1 8.696 ppm2 0.758 CV 1 ASSI { 234} (( segid " " and resid 217 and name HN )) (( segid " " and resid 220 and name HG2 )) 3.000 3.000 3.000 peak 234 weight 0.10000E+01 volume 0.10000E-02 ppm1 8.696 ppm2 1.657 CV 1 ASSI { 235} (( segid " " and resid 217 and name HN )) ( segid " " and resid 216 and name HG2%) 2.800 1.000 1.200 peak 235 weight 0.10000E+01 volume 0.18070E-02 ppm1 8.696 ppm2 1.236 CV 1 ASSI { 212} (( segid " " and resid 217 and name HN )) ( segid " " and resid 175 and name HE% ) 3.800 1.800 1.800 peak 212 weight 0.10000E+01 volume 0.27279E-03 ppm1 8.703 ppm2 7.644 CV 1 ASSI { 1923} (( segid " " and resid 198 and name HN )) (( segid " " and resid 202 and name HB1 )) 3.500 3.500 2.500 peak 1923 weight 0.10000E+01 volume 0.44012E-03 ppm1 8.698 ppm2 3.436 CV 1 ASSI { 263} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HA )) 2.800 1.000 1.200 peak 263 weight 0.10000E+01 volume 0.16337E-02 ppm1 8.231 ppm2 4.790 CV 1 ASSI { 243} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HD2 )) 3.300 1.300 1.500 peak 243 weight 0.10000E+01 volume 0.70795E-03 ppm1 8.239 ppm2 7.221 CV 1 ASSI { 251} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB )) 2.800 1.000 1.200 peak 251 weight 0.10000E+01 volume 0.17971E-02 ppm1 8.234 ppm2 0.851 CV 1 ASSI { 249} (( segid " " and resid 140 and name HN )) ( segid " " and resid 139 and name HD1%) 3.200 1.300 1.500 peak 249 weight 0.10000E+01 volume 0.72775E-03 ppm1 8.235 ppm2 0.467 CV 1 ASSI { 248} (( segid " " and resid 140 and name HN )) ( segid " " and resid 139 and name HG2%) 2.400 0.700 0.900 peak 248 weight 0.10000E+01 volume 0.42428E-02 ppm1 8.235 ppm2 -0.052 CV 1 ASSI { 255} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) 2.400 0.700 0.900 peak 255 weight 0.10000E+01 volume 0.42378E-02 ppm1 8.236 ppm2 2.932 CV 1 ASSI { 282} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HB1 )) 2.400 2.400 3.600 peak 282 weight 0.10000E+01 volume 0.38170E-02 ppm1 8.697 ppm2 2.619 CV 1 OR { 282} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HB2 )) ASSI { 270} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HD22)) 3.600 1.600 1.600 peak 270 weight 0.10000E+01 volume 0.40793E-03 ppm1 8.695 ppm2 7.536 CV 1 ASSI { 293} (( segid " " and resid 210 and name HN )) ( segid " " and resid 183 and name HG2%) 3.900 1.900 1.900 peak 293 weight 0.10000E+01 volume 0.23317E-03 ppm1 9.099 ppm2 1.464 CV 1 ASSI { 284} (( segid " " and resid 210 and name HN )) (( segid " " and resid 211 and name HN )) 2.800 1.000 1.200 peak 284 weight 0.10000E+01 volume 0.17476E-02 ppm1 9.099 ppm2 7.983 CV 1 ASSI { 296} (( segid " " and resid 210 and name HN )) ( segid " " and resid 184 and name HD1%) 3.300 1.300 1.500 peak 296 weight 0.10000E+01 volume 0.63864E-03 ppm1 9.100 ppm2 0.787 CV 1 ASSI { 1922} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HA )) 2.600 0.900 1.100 peak 1922 weight 0.10000E+01 volume 0.24209E-02 ppm1 9.102 ppm2 3.648 CV 1 ASSI { 295} (( segid " " and resid 210 and name HN )) ( segid " " and resid 210 and name HG2%) 2.400 0.700 0.900 peak 295 weight 0.10000E+01 volume 0.38962E-02 ppm1 9.101 ppm2 0.937 CV 1 ASSI { 318} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HB1 )) 3.600 3.600 2.400 peak 318 weight 0.10000E+01 volume 0.37032E-03 ppm1 8.069 ppm2 2.851 CV 1 OR { 318} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HB2 )) ASSI { 302} (( segid " " and resid 218 and name HN )) (( segid " " and resid 221 and name HB2 )) 3.800 1.800 1.800 peak 302 weight 0.10000E+01 volume 0.26882E-03 ppm1 8.585 ppm2 1.687 CV 1 ASSI { 289} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HB )) 2.400 0.700 0.900 peak 289 weight 0.10000E+01 volume 0.39903E-02 ppm1 9.101 ppm2 2.276 CV 1 ASSI { 312} (( segid " " and resid 130 and name HN )) ( segid " " and resid 162 and name HE% ) 3.600 3.600 2.400 peak 312 weight 0.10000E+01 volume 0.38516E-03 ppm1 8.078 ppm2 6.752 CV 1 ASSI { 317} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HG1 )) 3.200 1.000 1.200 peak 317 weight 0.10000E+01 volume 0.14159E-02 ppm1 8.078 ppm2 2.209 CV 1 OR { 317} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HG2 )) ASSI { 315} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB2 )) 2.400 0.700 0.900 peak 315 weight 0.10000E+01 volume 0.38566E-02 ppm1 8.079 ppm2 0.941 CV 1 ASSI { 340} (( segid " " and resid 130 and name HN )) ( segid " " and resid 162 and name HD% ) 3.600 1.600 1.600 peak 340 weight 0.10000E+01 volume 0.42180E-03 ppm1 8.079 ppm2 6.892 CV 1 ASSI { 1924} (( segid " " and resid 219 and name HN )) (( segid " " and resid 216 and name HB )) 3.500 3.500 2.500 peak 1924 weight 0.10000E+01 volume 0.41586E-03 ppm1 8.303 ppm2 4.314 CV 1 ASSI { 367} (( segid " " and resid 130 and name HN )) ( segid " " and resid 130 and name HD1%) 2.900 2.900 3.100 peak 367 weight 0.10000E+01 volume 0.12872E-02 ppm1 8.082 ppm2 0.608 CV 1 ASSI { 368} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HG )) 2.900 2.900 3.100 peak 368 weight 0.10000E+01 volume 0.13218E-02 ppm1 8.080 ppm2 1.373 CV 1 ASSI { 326} (( segid " " and resid 157 and name HN )) ( segid " " and resid 150 and name HE% ) 3.500 3.500 2.500 peak 326 weight 0.10000E+01 volume 0.44111E-03 ppm1 7.464 ppm2 6.980 CV 1 ASSI { 363} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.300 0.700 0.900 peak 363 weight 0.10000E+01 volume 0.50002E-02 ppm1 8.328 ppm2 1.903 CV 1 ASSI { 359} (( segid " " and resid 149 and name HN )) (( segid " " and resid 145 and name HA )) 3.200 1.200 1.400 peak 359 weight 0.10000E+01 volume 0.80696E-03 ppm1 8.328 ppm2 4.179 CV 1 ASSI { 333} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HN )) 2.600 0.900 1.100 peak 333 weight 0.10000E+01 volume 0.26387E-02 ppm1 8.327 ppm2 8.975 CV 1 ASSI { 365} (( segid " " and resid 149 and name HN )) ( segid " " and resid 205 and name HE% ) 2.900 2.900 3.100 peak 365 weight 0.10000E+01 volume 0.13615E-02 ppm1 8.328 ppm2 1.504 CV 1 ASSI { 348} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HB2 )) 2.300 0.600 0.800 peak 348 weight 0.10000E+01 volume 0.57923E-02 ppm1 7.462 ppm2 3.092 CV 1 ASSI { 366} (( segid " " and resid 219 and name HN )) ( segid " " and resid 215 and name HG2%) 3.200 1.300 1.500 peak 366 weight 0.10000E+01 volume 0.78221E-03 ppm1 8.298 ppm2 0.889 CV 1 ASSI { 384} (( segid " " and resid 184 and name HN )) ( segid " " and resid 182 and name HG2%) 3.500 1.500 1.700 peak 384 weight 0.10000E+01 volume 0.42625E-03 ppm1 8.486 ppm2 0.295 CV 1 ASSI { 380} (( segid " " and resid 184 and name HN )) (( segid " " and resid 182 and name HN )) 3.600 1.600 1.600 peak 380 weight 0.10000E+01 volume 0.38863E-03 ppm1 8.471 ppm2 8.724 CV 1 ASSI { 379} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HN )) 2.800 1.000 1.200 peak 379 weight 0.10000E+01 volume 0.17674E-02 ppm1 8.299 ppm2 8.587 CV 1 ASSI { 402} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HB2 )) 3.000 1.100 1.300 peak 402 weight 0.10000E+01 volume 0.10991E-02 ppm1 8.299 ppm2 2.752 CV 1 ASSI { 401} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HB1 )) 2.300 0.700 0.900 peak 401 weight 0.10000E+01 volume 0.51488E-02 ppm1 8.298 ppm2 2.330 CV 1 OR { 401} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HG2 )) ASSI { 400} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HB2 )) 2.600 0.800 1.000 peak 400 weight 0.10000E+01 volume 0.27426E-02 ppm1 8.298 ppm2 2.050 CV 1 ASSI { 378} (( segid " " and resid 219 and name HN )) (( segid " " and resid 220 and name HN )) 2.900 1.000 1.200 peak 378 weight 0.10000E+01 volume 0.16089E-02 ppm1 8.298 ppm2 7.922 CV 1 ASSI { 377} (( segid " " and resid 219 and name HN )) ( segid " " and resid 175 and name HE% ) 3.700 1.700 1.700 peak 377 weight 0.10000E+01 volume 0.35249E-03 ppm1 8.304 ppm2 7.687 CV 1 ASSI { 389} (( segid " " and resid 184 and name HN )) (( segid " " and resid 210 and name HB )) 3.700 1.700 1.700 peak 389 weight 0.10000E+01 volume 0.31338E-03 ppm1 8.484 ppm2 2.254 CV 1 ASSI { 387} (( segid " " and resid 184 and name HN )) ( segid " " and resid 184 and name HG2%) 2.500 2.500 3.500 peak 387 weight 0.10000E+01 volume 0.31189E-02 ppm1 8.487 ppm2 0.894 CV 1 ASSI { 381} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HN )) 2.700 0.900 1.100 peak 381 weight 0.10000E+01 volume 0.23417E-02 ppm1 8.486 ppm2 8.197 CV 1 ASSI { 385} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HG11)) 2.700 0.900 1.100 peak 385 weight 0.10000E+01 volume 0.21981E-02 ppm1 8.485 ppm2 1.097 CV 1 ASSI { 386} (( segid " " and resid 184 and name HN )) ( segid " " and resid 210 and name HG1%) 3.000 1.100 1.300 peak 386 weight 0.10000E+01 volume 0.11931E-02 ppm1 8.487 ppm2 1.231 CV 1 ASSI { 383} (( segid " " and resid 184 and name HN )) ( segid " " and resid 184 and name HD1%) 2.700 0.900 1.100 peak 383 weight 0.10000E+01 volume 0.20793E-02 ppm1 8.486 ppm2 0.798 CV 1 ASSI { 399} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 2.800 1.000 1.200 peak 399 weight 0.10000E+01 volume 0.15743E-02 ppm1 9.023 ppm2 0.889 CV 1 ASSI { 390} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HA )) 2.500 0.800 1.000 peak 390 weight 0.10000E+01 volume 0.31635E-02 ppm1 8.486 ppm2 3.669 CV 1 ASSI { 398} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB1 )) 3.100 1.200 1.400 peak 398 weight 0.10000E+01 volume 0.97033E-03 ppm1 9.023 ppm2 1.553 CV 1 ASSI { 395} (( segid " " and resid 129 and name HN )) (( segid " " and resid 162 and name HB2 )) 3.700 1.700 1.700 peak 395 weight 0.10000E+01 volume 0.32972E-03 ppm1 9.023 ppm2 2.548 CV 1 ASSI { 375} (( segid " " and resid 134 and name HN )) (( segid " " and resid 159 and name HD22)) 3.600 3.600 2.400 peak 375 weight 0.10000E+01 volume 0.41933E-03 ppm1 8.708 ppm2 6.790 CV 1 ASSI { 372} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HD% ) 3.200 1.300 1.500 peak 372 weight 0.10000E+01 volume 0.84656E-03 ppm1 9.021 ppm2 6.816 CV 1 ASSI { 374} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HN )) 3.100 1.200 1.400 peak 374 weight 0.10000E+01 volume 0.96539E-03 ppm1 8.711 ppm2 8.449 CV 1 ASSI { 388} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HB )) 2.300 0.700 0.900 peak 388 weight 0.10000E+01 volume 0.52972E-02 ppm1 8.486 ppm2 2.054 CV 1 ASSI { 394} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB1 )) 2.700 0.900 1.100 peak 394 weight 0.10000E+01 volume 0.21189E-02 ppm1 9.023 ppm2 2.849 CV 1 ASSI { 446} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HB2 )) 2.600 0.800 1.000 peak 446 weight 0.10000E+01 volume 0.27724E-02 ppm1 8.974 ppm2 1.829 CV 1 ASSI { 413} (( segid " " and resid 134 and name HN )) (( segid " " and resid 159 and name HD21)) 3.600 1.600 1.600 peak 413 weight 0.10000E+01 volume 0.39903E-03 ppm1 8.709 ppm2 7.474 CV 1 ASSI { 414} (( segid " " and resid 184 and name HN )) (( segid " " and resid 185 and name HN )) 2.700 0.900 1.100 peak 414 weight 0.10000E+01 volume 0.25001E-02 ppm1 8.487 ppm2 8.053 CV 1 ASSI { 436} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB1 )) 2.400 2.400 3.600 peak 436 weight 0.10000E+01 volume 0.38814E-02 ppm1 8.709 ppm2 1.994 CV 1 OR { 436} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB2 )) ASSI { 435} (( segid " " and resid 134 and name HN )) ( segid " " and resid 133 and name HB% ) 2.300 0.700 0.900 peak 435 weight 0.10000E+01 volume 0.50002E-02 ppm1 8.709 ppm2 1.272 CV 1 ASSI { 439} (( segid " " and resid 134 and name HN )) (( segid " " and resid 159 and name HB1 )) 2.900 1.100 1.300 peak 439 weight 0.10000E+01 volume 0.13119E-02 ppm1 8.710 ppm2 3.600 CV 1 ASSI { 422} (( segid " " and resid 224 and name HN )) (( segid " " and resid 227 and name HG2 )) 3.500 1.500 1.700 peak 422 weight 0.10000E+01 volume 0.45250E-03 ppm1 7.515 ppm2 2.363 CV 1 OR { 422} (( segid " " and resid 224 and name HN )) (( segid " " and resid 227 and name HG1 )) ASSI { 409} (( segid " " and resid 228 and name HN )) (( segid " " and resid 224 and name HN )) 3.800 3.800 2.200 peak 409 weight 0.10000E+01 volume 0.27823E-03 ppm1 7.961 ppm2 7.503 CV 1 ASSI { 427} (( segid " " and resid 228 and name HN )) (( segid " " and resid 228 and name HB2 )) 2.200 0.600 0.800 peak 427 weight 0.10000E+01 volume 0.71290E-02 ppm1 7.957 ppm2 1.814 CV 1 OR { 427} (( segid " " and resid 228 and name HN )) (( segid " " and resid 228 and name HB1 )) ASSI { 426} (( segid " " and resid 228 and name HN )) (( segid " " and resid 228 and name HG1 )) 2.800 1.000 1.200 peak 426 weight 0.10000E+01 volume 0.29159E-02 ppm1 7.957 ppm2 1.660 CV 1 OR { 426} (( segid " " and resid 228 and name HN )) (( segid " " and resid 228 and name HG2 )) ASSI { 407} (( segid " " and resid 228 and name HN )) (( segid " " and resid 229 and name HN )) 2.600 0.800 1.000 peak 407 weight 0.10000E+01 volume 0.28269E-02 ppm1 7.956 ppm2 8.252 CV 1 ASSI { 417} (( segid " " and resid 166 and name HN )) ( segid " " and resid 175 and name HE% ) 3.400 1.500 1.700 peak 417 weight 0.10000E+01 volume 0.54953E-03 ppm1 8.975 ppm2 7.694 CV 1 ASSI { 1927} (( segid " " and resid 224 and name HN )) (( segid " " and resid 221 and name HA )) 2.700 0.900 1.100 peak 1927 weight 0.10000E+01 volume 0.22328E-02 ppm1 7.523 ppm2 4.054 CV 1 ASSI { 424} (( segid " " and resid 211 and name HN )) ( segid " " and resid 184 and name HD1%) 3.600 1.600 1.600 peak 424 weight 0.10000E+01 volume 0.39408E-03 ppm1 7.984 ppm2 0.783 CV 1 ASSI { 428} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HG2 )) 3.200 1.300 1.500 peak 428 weight 0.10000E+01 volume 0.72775E-03 ppm1 7.960 ppm2 2.361 CV 1 ASSI { 410} (( segid " " and resid 211 and name HN )) (( segid " " and resid 208 and name HN )) 4.000 2.000 2.000 peak 410 weight 0.10000E+01 volume 0.22625E-03 ppm1 7.987 ppm2 7.320 CV 1 ASSI { 408} (( segid " " and resid 228 and name HN )) (( segid " " and resid 225 and name HN )) 2.800 2.800 3.200 peak 408 weight 0.10000E+01 volume 0.17872E-02 ppm1 7.955 ppm2 8.102 CV 1 ASSI { 430} (( segid " " and resid 228 and name HN )) (( segid " " and resid 226 and name HB2 )) 3.900 1.900 1.900 peak 430 weight 0.10000E+01 volume 0.24506E-03 ppm1 7.966 ppm2 2.941 CV 1 ASSI { 472} (( segid " " and resid 228 and name HN )) ( segid " " and resid 224 and name HB% ) 3.800 1.800 1.800 peak 472 weight 0.10000E+01 volume 0.26338E-03 ppm1 7.963 ppm2 1.416 CV 1 ASSI { 471} (( segid " " and resid 211 and name HN )) ( segid " " and resid 210 and name HG1%) 3.100 1.200 1.400 peak 471 weight 0.10000E+01 volume 0.92578E-03 ppm1 7.986 ppm2 1.241 CV 1 ASSI { 476} (( segid " " and resid 228 and name HN )) (( segid " " and resid 229 and name HA1 )) 3.800 1.800 1.800 peak 476 weight 0.10000E+01 volume 0.26882E-03 ppm1 7.962 ppm2 3.973 CV 1 OR { 476} (( segid " " and resid 228 and name HN )) (( segid " " and resid 229 and name HA2 )) ASSI { 474} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HB1 )) 2.400 0.700 0.900 peak 474 weight 0.10000E+01 volume 0.36981E-02 ppm1 7.987 ppm2 2.233 CV 1 ASSI { 479} (( segid " " and resid 224 and name HN )) (( segid " " and resid 223 and name HG2 )) 3.800 1.800 1.800 peak 479 weight 0.10000E+01 volume 0.25447E-03 ppm1 7.535 ppm2 2.448 CV 1 ASSI { 462} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HB2 )) 3.400 3.400 2.600 peak 462 weight 0.10000E+01 volume 0.48864E-03 ppm1 8.202 ppm2 2.635 CV 1 ASSI { 492} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HE )) 3.700 1.700 1.700 peak 492 weight 0.10000E+01 volume 0.31536E-03 ppm1 8.197 ppm2 7.523 CV 1 ASSI { 465} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 2.400 0.700 0.900 peak 465 weight 0.10000E+01 volume 0.40942E-02 ppm1 8.201 ppm2 4.005 CV 1 ASSI { 461} (( segid " " and resid 148 and name HN )) (( segid " " and resid 151 and name HG1 )) 3.000 3.000 3.000 peak 461 weight 0.10000E+01 volume 0.10347E-02 ppm1 8.202 ppm2 2.026 CV 1 ASSI { 464} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HA )) 3.500 3.500 2.500 peak 464 weight 0.10000E+01 volume 0.45150E-03 ppm1 8.200 ppm2 3.871 CV 1 ASSI { 499} (( segid " " and resid 202 and name HN )) (( segid " " and resid 200 and name HN )) 3.500 1.500 1.700 peak 499 weight 0.10000E+01 volume 0.50497E-03 ppm1 7.542 ppm2 8.976 CV 1 ASSI { 460} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.000 0.500 0.700 peak 460 weight 0.10000E+01 volume 0.10842E-01 ppm1 8.201 ppm2 1.902 CV 1 ASSI { 459} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HG1 )) 3.000 1.000 1.200 peak 459 weight 0.10000E+01 volume 0.19555E-02 ppm1 8.201 ppm2 1.741 CV 1 ASSI { 463} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HD1 )) 2.900 2.900 3.100 peak 463 weight 0.10000E+01 volume 0.14456E-02 ppm1 8.202 ppm2 3.211 CV 1 OR { 463} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HD2 )) ASSI { 483} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HB1 )) 2.600 2.600 3.400 peak 483 weight 0.10000E+01 volume 0.24011E-02 ppm1 7.543 ppm2 3.384 CV 1 ASSI { 477} (( segid " " and resid 202 and name HN )) ( segid " " and resid 201 and name HG2%) 2.900 1.000 1.200 peak 477 weight 0.10000E+01 volume 0.14357E-02 ppm1 7.543 ppm2 0.706 CV 1 ASSI { 501} (( segid " " and resid 202 and name HN )) (( segid " " and resid 199 and name HN )) 3.000 1.100 1.300 peak 501 weight 0.10000E+01 volume 0.12872E-02 ppm1 7.542 ppm2 9.595 CV 1 ASSI { 498} (( segid " " and resid 202 and name HN )) (( segid " " and resid 203 and name HN )) 2.600 0.800 1.000 peak 498 weight 0.10000E+01 volume 0.28417E-02 ppm1 7.543 ppm2 8.199 CV 1 ASSI { 484} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HA )) 2.600 0.900 1.100 peak 484 weight 0.10000E+01 volume 0.23368E-02 ppm1 7.543 ppm2 4.599 CV 1 ASSI { 478} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HB2 )) 2.800 1.000 1.200 peak 478 weight 0.10000E+01 volume 0.17327E-02 ppm1 7.544 ppm2 2.646 CV 1 ASSI { 521} (( segid " " and resid 202 and name HN )) (( segid " " and resid 201 and name HB )) 2.500 0.800 1.000 peak 521 weight 0.10000E+01 volume 0.35694E-02 ppm1 7.545 ppm2 3.724 CV 1 ASSI { 506} (( segid " " and resid 202 and name HN )) ( segid " " and resid 149 and name HE% ) 3.400 1.400 1.600 peak 506 weight 0.10000E+01 volume 0.59408E-03 ppm1 7.552 ppm2 6.859 CV 1 ASSI { 513} (( segid " " and resid 202 and name HN )) ( segid " " and resid 203 and name HG1%) 3.000 1.200 1.400 peak 513 weight 0.10000E+01 volume 0.10099E-02 ppm1 7.546 ppm2 0.961 CV 1 ASSI { 517} (( segid " " and resid 223 and name HN )) (( segid " " and resid 223 and name HB2 )) 2.300 0.700 0.900 peak 517 weight 0.10000E+01 volume 0.48121E-02 ppm1 7.610 ppm2 2.112 CV 1 ASSI { 503} (( segid " " and resid 172 and name HN )) (( segid " " and resid 173 and name HN )) 2.700 0.900 1.100 peak 503 weight 0.10000E+01 volume 0.24308E-02 ppm1 8.677 ppm2 8.376 CV 1 ASSI { 536} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HB1 )) 2.900 1.000 1.200 peak 536 weight 0.10000E+01 volume 0.14159E-02 ppm1 8.677 ppm2 2.913 CV 1 OR { 536} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HB2 )) ASSI { 540} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HG2 )) 2.700 0.900 1.100 peak 540 weight 0.10000E+01 volume 0.20100E-02 ppm1 8.211 ppm2 1.526 CV 1 ASSI { 504} (( segid " " and resid 172 and name HN )) ( segid " " and resid 218 and name HE% ) 3.400 1.500 1.700 peak 504 weight 0.10000E+01 volume 0.52972E-03 ppm1 8.678 ppm2 6.546 CV 1 ASSI { 535} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HB2 )) 2.400 2.400 3.600 peak 535 weight 0.10000E+01 volume 0.39457E-02 ppm1 8.677 ppm2 3.069 CV 1 ASSI { 512} (( segid " " and resid 223 and name HN )) (( segid " " and resid 222 and name HN )) 2.800 1.000 1.200 peak 512 weight 0.10000E+01 volume 0.17427E-02 ppm1 7.608 ppm2 8.474 CV 1 ASSI { 533} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HB )) 2.600 2.600 3.400 peak 533 weight 0.10000E+01 volume 0.23219E-02 ppm1 8.957 ppm2 2.244 CV 1 ASSI { 511} (( segid " " and resid 223 and name HN )) (( segid " " and resid 227 and name HN )) 2.600 2.600 3.400 peak 511 weight 0.10000E+01 volume 0.27823E-02 ppm1 7.620 ppm2 7.843 CV 1 ASSI { 510} (( segid " " and resid 194 and name HN )) (( segid " " and resid 195 and name HN )) 2.500 0.800 1.000 peak 510 weight 0.10000E+01 volume 0.37229E-02 ppm1 7.621 ppm2 7.991 CV 1 ASSI { 529} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HA )) 3.600 1.600 1.600 peak 529 weight 0.10000E+01 volume 0.37576E-03 ppm1 7.812 ppm2 4.555 CV 1 ASSI { 516} (( segid " " and resid 194 and name HN )) (( segid " " and resid 194 and name HB2 )) 2.500 0.800 1.000 peak 516 weight 0.10000E+01 volume 0.29061E-02 ppm1 7.621 ppm2 1.835 CV 1 ASSI { 532} (( segid " " and resid 176 and name HN )) ( segid " " and resid 176 and name HG1%) 2.600 0.800 1.000 peak 532 weight 0.10000E+01 volume 0.27328E-02 ppm1 8.955 ppm2 1.055 CV 1 OR { 532} (( segid " " and resid 176 and name HN )) ( segid " " and resid 176 and name HG2%) ASSI { 1908} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HB1 )) 3.800 1.800 1.800 peak 1908 weight 0.10000E+01 volume 0.24803E-03 ppm1 7.808 ppm2 1.610 CV 1 ASSI { 550} (( segid " " and resid 196 and name HN )) (( segid " " and resid 192 and name HA )) 2.500 0.800 1.000 peak 550 weight 0.10000E+01 volume 0.31635E-02 ppm1 7.568 ppm2 4.354 CV 1 ASSI { 554} (( segid " " and resid 196 and name HN )) ( segid " " and resid 192 and name HG2%) 3.200 1.200 1.400 peak 554 weight 0.10000E+01 volume 0.81687E-03 ppm1 7.564 ppm2 1.318 CV 1 ASSI { 546} (( segid " " and resid 196 and name HN )) (( segid " " and resid 197 and name HN )) 2.900 2.900 3.100 peak 546 weight 0.10000E+01 volume 0.13862E-02 ppm1 7.568 ppm2 8.489 CV 1 ASSI { 551} (( segid " " and resid 196 and name HN )) (( segid " " and resid 191 and name HA )) 2.500 2.500 3.500 peak 551 weight 0.10000E+01 volume 0.34853E-02 ppm1 7.568 ppm2 4.171 CV 1 ! ASSI { 545} ! (( segid " " and resid 194 and name HN )) ! (( segid " " and resid 190 and name HN )) ! 3.200 3.200 2.800 peak 545 weight 0.10000E+01 volume 0.86142E-03 ppm1 7.622 ppm2 8.162 CV 1 ASSI { 553} (( segid " " and resid 196 and name HN )) (( segid " " and resid 196 and name HB2 )) 2.200 0.600 0.800 peak 553 weight 0.10000E+01 volume 0.73765E-02 ppm1 7.567 ppm2 1.581 CV 1 ASSI { 552} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HA2 )) 2.600 0.800 1.000 peak 552 weight 0.10000E+01 volume 0.27625E-02 ppm1 7.566 ppm2 3.797 CV 1 ASSI { 548} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB1 )) 2.300 2.300 3.700 peak 548 weight 0.10000E+01 volume 0.50992E-02 ppm1 8.218 ppm2 3.020 CV 1 ASSI { 571} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 2.400 0.700 0.900 peak 571 weight 0.10000E+01 volume 0.37229E-02 ppm1 8.220 ppm2 4.666 CV 1 ASSI { 569} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB2 )) 2.700 0.900 1.100 peak 569 weight 0.10000E+01 volume 0.19357E-02 ppm1 8.217 ppm2 1.537 CV 1 ASSI { 561} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HN )) 2.500 0.800 1.000 peak 561 weight 0.10000E+01 volume 0.37328E-02 ppm1 8.219 ppm2 7.738 CV 1 ASSI { 570} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 2.300 0.700 0.900 peak 570 weight 0.10000E+01 volume 0.55448E-02 ppm1 8.218 ppm2 2.852 CV 1 ASSI { 1901} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 2.800 1.000 1.200 peak 1901 weight 0.10000E+01 volume 0.16635E-02 ppm1 8.224 ppm2 3.580 CV 1 ASSI { 1880} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HA )) 2.200 2.200 3.800 peak 1880 weight 0.10000E+01 volume 0.78221E-02 ppm1 8.494 ppm2 4.654 CV 1 ASSI { 580} (( segid " " and resid 147 and name HN )) (( segid " " and resid 143 and name HA )) 3.300 3.300 2.700 peak 580 weight 0.10000E+01 volume 0.60398E-03 ppm1 8.218 ppm2 4.836 CV 1 ASSI { 1881} (( segid " " and resid 197 and name HN )) (( segid " " and resid 196 and name HA )) 1.800 1.800 4.200 peak 1881 weight 0.10000E+01 volume 0.21288E-01 ppm1 8.494 ppm2 4.232 CV 1 ASSI { 587} (( segid " " and resid 227 and name HN )) (( segid " " and resid 225 and name HN )) 2.800 1.000 1.200 peak 587 weight 0.10000E+01 volume 0.17030E-02 ppm1 7.869 ppm2 8.126 CV 1 ASSI { 608} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HB2 )) 2.300 0.600 0.800 peak 608 weight 0.10000E+01 volume 0.58914E-02 ppm1 8.497 ppm2 2.616 CV 1 OR { 608} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HB1 )) ASSI { 595} (( segid " " and resid 214 and name HN )) (( segid " " and resid 161 and name HB )) 3.800 1.800 1.800 peak 595 weight 0.10000E+01 volume 0.28218E-03 ppm1 9.219 ppm2 2.631 CV 1 ASSI { 611} (( segid " " and resid 197 and name HN )) ( segid " " and resid 191 and name HG2%) 3.400 1.400 1.600 peak 611 weight 0.10000E+01 volume 0.51983E-03 ppm1 8.498 ppm2 0.958 CV 1 ASSI { 604} (( segid " " and resid 200 and name HN )) (( segid " " and resid 200 and name HB2 )) 2.300 0.700 0.900 peak 604 weight 0.10000E+01 volume 0.50497E-02 ppm1 8.972 ppm2 1.896 CV 1 OR { 604} (( segid " " and resid 200 and name HN )) (( segid " " and resid 200 and name HB1 )) ASSI { 582} (( segid " " and resid 214 and name HN )) (( segid " " and resid 211 and name HN )) 3.700 1.800 1.800 peak 582 weight 0.10000E+01 volume 0.31783E-03 ppm1 9.216 ppm2 8.032 CV 1 ASSI { 606} (( segid " " and resid 200 and name HN )) ( segid " " and resid 199 and name HG2%) 2.600 0.800 1.000 peak 606 weight 0.10000E+01 volume 0.26387E-02 ppm1 8.972 ppm2 1.445 CV 1 ASSI { 593} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HB2 )) 2.300 2.300 3.700 peak 593 weight 0.10000E+01 volume 0.57428E-02 ppm1 7.870 ppm2 2.067 CV 1 ASSI { 594} (( segid " " and resid 214 and name HN )) ( segid " " and resid 176 and name HG1%) 2.800 2.800 3.200 peak 594 weight 0.10000E+01 volume 0.16040E-02 ppm1 9.218 ppm2 1.050 CV 1 OR { 594} (( segid " " and resid 214 and name HN )) ( segid " " and resid 176 and name HG2%) ASSI { 624} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HN )) 3.600 1.600 1.600 peak 624 weight 0.10000E+01 volume 0.41586E-03 ppm1 8.971 ppm2 9.592 CV 1 ASSI { 621} (( segid " " and resid 214 and name HN )) (( segid " " and resid 215 and name HN )) 2.700 0.900 1.100 peak 621 weight 0.10000E+01 volume 0.21387E-02 ppm1 9.218 ppm2 8.331 CV 1 ASSI { 639} (( segid " " and resid 214 and name HN )) ( segid " " and resid 161 and name HG1%) 2.800 0.900 1.100 peak 639 weight 0.10000E+01 volume 0.18318E-02 ppm1 9.218 ppm2 0.921 CV 1 ASSI { 635} (( segid " " and resid 227 and name HN )) ( segid " " and resid 226 and name HD% ) 3.300 1.300 1.500 peak 635 weight 0.10000E+01 volume 0.72280E-03 ppm1 7.869 ppm2 7.186 CV 1 ASSI { 666} (( segid " " and resid 213 and name HN )) (( segid " " and resid 210 and name HA )) 2.800 0.900 1.100 peak 666 weight 0.10000E+01 volume 0.18268E-02 ppm1 8.212 ppm2 3.635 CV 1 ASSI { 641} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HB2 )) 2.500 0.800 1.000 peak 641 weight 0.10000E+01 volume 0.33764E-02 ppm1 9.219 ppm2 2.140 CV 1 OR { 641} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HB1 )) ASSI { 620} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HN )) 2.600 0.900 1.100 peak 620 weight 0.10000E+01 volume 0.25694E-02 ppm1 9.218 ppm2 8.204 CV 1 ASSI { 642} (( segid " " and resid 214 and name HN )) (( segid " " and resid 212 and name HG2 )) 3.200 3.200 2.800 peak 642 weight 0.10000E+01 volume 0.69805E-03 ppm1 9.218 ppm2 2.462 CV 1 OR { 642} (( segid " " and resid 214 and name HN )) (( segid " " and resid 212 and name HG1 )) ASSI { 619} (( segid " " and resid 214 and name HN )) (( segid " " and resid 212 and name HN )) 3.500 1.500 1.700 peak 619 weight 0.10000E+01 volume 0.46734E-03 ppm1 9.218 ppm2 7.151 CV 1 ASSI { 640} (( segid " " and resid 214 and name HN )) ( segid " " and resid 210 and name HG1%) 3.100 1.200 1.400 peak 640 weight 0.10000E+01 volume 0.85647E-03 ppm1 9.219 ppm2 1.225 CV 1 ASSI { 638} (( segid " " and resid 214 and name HN )) ( segid " " and resid 161 and name HG2%) 3.200 1.200 1.400 peak 638 weight 0.10000E+01 volume 0.80696E-03 ppm1 9.218 ppm2 0.788 CV 1 ASSI { 673} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HG2 )) 2.500 0.800 1.000 peak 673 weight 0.10000E+01 volume 0.34853E-02 ppm1 7.871 ppm2 2.376 CV 1 OR { 673} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HG1 )) ASSI { 674} (( segid " " and resid 227 and name HN )) ( segid " " and resid 224 and name HB% ) 3.400 1.400 1.600 peak 674 weight 0.10000E+01 volume 0.52478E-03 ppm1 7.871 ppm2 1.421 CV 1 ASSI { 672} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HB2 )) 2.800 1.000 1.200 peak 672 weight 0.10000E+01 volume 0.14951E-02 ppm1 7.871 ppm2 2.952 CV 1 ASSI { 671} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HB1 )) 2.800 1.000 1.200 peak 671 weight 0.10000E+01 volume 0.15645E-02 ppm1 7.871 ppm2 3.144 CV 1 ASSI { 622} (( segid " " and resid 214 and name HN )) (( segid " " and resid 217 and name HN )) 3.900 1.900 1.900 peak 622 weight 0.10000E+01 volume 0.23169E-03 ppm1 9.220 ppm2 8.697 CV 1 ASSI { 633} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HN )) 2.400 0.700 0.900 peak 633 weight 0.10000E+01 volume 0.44704E-02 ppm1 8.050 ppm2 7.569 CV 1 ASSI { 650} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB2 )) 2.600 0.800 1.000 peak 650 weight 0.10000E+01 volume 0.28021E-02 ppm1 8.049 ppm2 1.326 CV 1 ASSI { 661} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 3.000 1.100 1.300 peak 661 weight 0.10000E+01 volume 0.11040E-02 ppm1 8.051 ppm2 4.338 CV 1 ASSI { 630} (( segid " " and resid 154 and name HN )) ( segid " " and resid 157 and name HD% ) 3.200 1.300 1.500 peak 630 weight 0.10000E+01 volume 0.81191E-03 ppm1 8.052 ppm2 6.841 CV 1 ASSI { 655} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HG1 )) 2.600 0.900 1.100 peak 655 weight 0.10000E+01 volume 0.24457E-02 ppm1 8.050 ppm2 2.541 CV 1 ASSI { 651} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB1 )) 2.700 0.900 1.100 peak 651 weight 0.10000E+01 volume 0.20397E-02 ppm1 8.050 ppm2 1.646 CV 1 ASSI { 631} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HN )) 2.800 1.000 1.200 peak 631 weight 0.10000E+01 volume 0.18268E-02 ppm1 8.209 ppm2 7.163 CV 1 ASSI { 652} (( segid " " and resid 154 and name HN )) (( segid " " and resid 152 and name HB2 )) 3.300 1.400 1.600 peak 652 weight 0.10000E+01 volume 0.62874E-03 ppm1 8.055 ppm2 1.866 CV 1 OR { 652} (( segid " " and resid 154 and name HN )) (( segid " " and resid 152 and name HB1 )) ASSI { 678} (( segid " " and resid 204 and name HN )) ( segid " " and resid 203 and name HG2%) 2.700 0.900 1.100 peak 678 weight 0.10000E+01 volume 0.22080E-02 ppm1 7.567 ppm2 0.916 CV 1 ASSI { 665} (( segid " " and resid 203 and name HN )) (( segid " " and resid 202 and name HB2 )) 2.800 1.000 1.200 peak 665 weight 0.10000E+01 volume 0.16635E-02 ppm1 8.208 ppm2 2.655 CV 1 ASSI { 676} (( segid " " and resid 227 and name HN )) (( segid " " and resid 228 and name HB2 )) 3.200 1.300 1.500 peak 676 weight 0.10000E+01 volume 0.71290E-03 ppm1 7.877 ppm2 1.832 CV 1 OR { 676} (( segid " " and resid 227 and name HN )) (( segid " " and resid 228 and name HB1 )) ASSI { 1886} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 2.500 0.800 1.000 peak 1886 weight 0.10000E+01 volume 0.32675E-02 ppm1 8.051 ppm2 3.435 CV 1 ASSI { 648} (( segid " " and resid 221 and name HN )) (( segid " " and resid 219 and name HB1 )) 2.900 2.900 3.100 peak 648 weight 0.10000E+01 volume 0.14555E-02 ppm1 8.459 ppm2 2.361 CV 1 OR { 648} (( segid " " and resid 221 and name HN )) (( segid " " and resid 219 and name HG2 )) ASSI { 625} (( segid " " and resid 221 and name HN )) (( segid " " and resid 220 and name HN )) 3.100 1.200 1.400 peak 625 weight 0.10000E+01 volume 0.10693E-02 ppm1 8.461 ppm2 7.925 CV 1 ASSI { 679} (( segid " " and resid 204 and name HN )) (( segid " " and resid 204 and name HB1 )) 2.100 0.600 0.800 peak 679 weight 0.10000E+01 volume 0.81191E-02 ppm1 7.567 ppm2 1.954 CV 1 OR { 679} (( segid " " and resid 204 and name HN )) (( segid " " and resid 204 and name HB2 )) ASSI { 656} (( segid " " and resid 225 and name HN )) (( segid " " and resid 225 and name HB2 )) 2.400 0.700 0.900 peak 656 weight 0.10000E+01 volume 0.46487E-02 ppm1 8.077 ppm2 2.834 CV 1 ASSI { 658} (( segid " " and resid 179 and name HN )) (( segid " " and resid 179 and name HB1 )) 2.500 0.800 1.000 peak 658 weight 0.10000E+01 volume 0.36487E-02 ppm1 8.066 ppm2 3.370 CV 1 ASSI { 704} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HN )) 2.800 1.000 1.200 peak 704 weight 0.10000E+01 volume 0.19506E-02 ppm1 8.068 ppm2 7.724 CV 1 ASSI { 693} (( segid " " and resid 179 and name HN )) (( segid " " and resid 180 and name HN )) 2.700 0.900 1.100 peak 693 weight 0.10000E+01 volume 0.22179E-02 ppm1 8.067 ppm2 9.149 CV 1 ASSI { 706} (( segid " " and resid 204 and name HN )) ( segid " " and resid 201 and name HG2%) 3.500 1.600 1.600 peak 706 weight 0.10000E+01 volume 0.40150E-03 ppm1 7.564 ppm2 0.717 CV 1 ASSI { 747} (( segid " " and resid 213 and name HN )) (( segid " " and resid 216 and name HB )) 3.800 1.600 1.600 peak 747 weight 0.10000E+01 volume 0.38319E-03 ppm1 8.197 ppm2 4.363 CV 1 ASSI { 738} (( segid " " and resid 179 and name HN )) ( segid " " and resid 176 and name HG2%) 3.000 3.000 3.000 peak 738 weight 0.10000E+01 volume 0.12031E-02 ppm1 8.067 ppm2 1.064 CV 1 OR { 738} (( segid " " and resid 179 and name HN )) ( segid " " and resid 176 and name HG1%) ASSI { 760} (( segid " " and resid 203 and name HN )) (( segid " " and resid 198 and name HA )) 3.800 1.800 1.800 peak 760 weight 0.10000E+01 volume 0.27774E-03 ppm1 8.204 ppm2 5.292 CV 1 ASSI { 737} (( segid " " and resid 203 and name HN )) ( segid " " and resid 203 and name HG1%) 2.200 0.600 0.800 peak 737 weight 0.10000E+01 volume 0.75251E-02 ppm1 8.206 ppm2 0.961 CV 1 ASSI { 751} (( segid " " and resid 179 and name HN )) (( segid " " and resid 179 and name HA )) 2.500 0.800 1.000 peak 751 weight 0.10000E+01 volume 0.30694E-02 ppm1 8.067 ppm2 4.746 CV 1 ASSI { 708} (( segid " " and resid 204 and name HN )) (( segid " " and resid 202 and name HA )) 3.900 1.900 1.900 peak 708 weight 0.10000E+01 volume 0.24308E-03 ppm1 7.565 ppm2 4.593 CV 1 ASSI { 758} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HG2 )) 3.400 1.400 1.600 peak 758 weight 0.10000E+01 volume 0.51488E-03 ppm1 7.921 ppm2 1.615 CV 1 ASSI { 756} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HB1 )) 3.000 1.100 1.300 peak 756 weight 0.10000E+01 volume 0.11238E-02 ppm1 7.922 ppm2 1.986 CV 1 ASSI { 750} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HA )) 3.000 1.100 1.300 peak 750 weight 0.10000E+01 volume 0.11139E-02 ppm1 8.067 ppm2 4.529 CV 1 ASSI { 703} (( segid " " and resid 179 and name HN )) ( segid " " and resid 175 and name HD% ) 3.600 1.700 1.700 peak 703 weight 0.10000E+01 volume 0.37229E-03 ppm1 8.068 ppm2 7.312 CV 1 ASSI { 734} (( segid " " and resid 209 and name HN )) ( segid " " and resid 139 and name HG2%) 3.600 1.600 1.600 peak 734 weight 0.10000E+01 volume 0.37032E-03 ppm1 8.317 ppm2 -0.051 CV 1 ASSI { 755} (( segid " " and resid 220 and name HN )) (( segid " " and resid 219 and name HB1 )) 3.100 1.200 1.400 peak 755 weight 0.10000E+01 volume 0.93568E-03 ppm1 7.921 ppm2 2.334 CV 1 ASSI { 686} (( segid " " and resid 209 and name HN )) ( segid " " and resid 150 and name HE% ) 3.800 1.800 1.800 peak 686 weight 0.10000E+01 volume 0.30001E-03 ppm1 8.308 ppm2 6.996 CV 1 ASSI { 710} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 2.800 1.000 1.200 peak 710 weight 0.10000E+01 volume 0.15149E-02 ppm1 7.740 ppm2 4.174 CV 1 ASSI { 705} (( segid " " and resid 203 and name HN )) (( segid " " and resid 201 and name HN )) 3.100 3.100 2.900 peak 705 weight 0.10000E+01 volume 0.91092E-03 ppm1 8.206 ppm2 7.954 CV 1 ASSI { 720} (( segid " " and resid 221 and name HN )) (( segid " " and resid 220 and name HD2 )) 3.300 3.300 2.700 peak 720 weight 0.10000E+01 volume 0.67329E-03 ppm1 8.447 ppm2 2.933 CV 1 ASSI { 757} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HB2 )) 2.800 1.000 1.200 peak 757 weight 0.10000E+01 volume 0.17427E-02 ppm1 7.921 ppm2 1.848 CV 1 OR { 757} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HG1 )) ASSI { 692} (( segid " " and resid 203 and name HN )) (( segid " " and resid 199 and name HN )) 3.400 1.400 1.600 peak 692 weight 0.10000E+01 volume 0.57428E-03 ppm1 8.206 ppm2 9.591 CV 1 ASSI { 689} (( segid " " and resid 209 and name HN )) (( segid " " and resid 211 and name HN )) 3.500 1.500 1.700 peak 689 weight 0.10000E+01 volume 0.50497E-03 ppm1 8.314 ppm2 7.990 CV 1 ASSI { 698} (( segid " " and resid 146 and name HN )) ( segid " " and resid 145 and name HD% ) 3.000 1.100 1.300 peak 698 weight 0.10000E+01 volume 0.12773E-02 ppm1 7.738 ppm2 7.057 CV 1 ASSI { 717} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB2 )) 2.600 0.900 1.100 peak 717 weight 0.10000E+01 volume 0.24209E-02 ppm1 7.740 ppm2 1.543 CV 1 ASSI { 697} (( segid " " and resid 146 and name HN )) (( segid " " and resid 143 and name HN )) 3.200 1.300 1.500 peak 697 weight 0.10000E+01 volume 0.84656E-03 ppm1 7.741 ppm2 7.323 CV 1 ASSI { 716} (( segid " " and resid 146 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.500 2.500 3.500 peak 716 weight 0.10000E+01 volume 0.34308E-02 ppm1 7.740 ppm2 1.935 CV 1 OR { 716} (( segid " " and resid 146 and name HN )) (( segid " " and resid 148 and name HB1 )) ASSI { 743} (( segid " " and resid 209 and name HN )) (( segid " " and resid 209 and name HB )) 2.400 0.700 0.900 peak 743 weight 0.10000E+01 volume 0.42625E-02 ppm1 8.315 ppm2 2.303 CV 1 ASSI { 733} (( segid " " and resid 209 and name HN )) ( segid " " and resid 139 and name HD1%) 3.100 1.200 1.400 peak 733 weight 0.10000E+01 volume 0.95054E-03 ppm1 8.314 ppm2 0.451 CV 1 ASSI { 691} (( segid " " and resid 209 and name HN )) (( segid " " and resid 210 and name HN )) 2.500 0.800 1.000 peak 691 weight 0.10000E+01 volume 0.33120E-02 ppm1 8.314 ppm2 9.098 CV 1 ASSI { 732} (( segid " " and resid 209 and name HN )) ( segid " " and resid 209 and name HG2%) 2.300 0.600 0.800 peak 732 weight 0.10000E+01 volume 0.60398E-02 ppm1 8.315 ppm2 1.282 CV 1 ASSI { 715} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HG1 )) 2.600 0.800 1.000 peak 715 weight 0.10000E+01 volume 0.26090E-02 ppm1 7.740 ppm2 2.240 CV 1 ASSI { 687} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HN )) 2.500 0.800 1.000 peak 687 weight 0.10000E+01 volume 0.33862E-02 ppm1 8.315 ppm2 7.313 CV 1 ASSI { 742} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HB1 )) 2.600 0.800 1.000 peak 742 weight 0.10000E+01 volume 0.28269E-02 ppm1 8.315 ppm2 2.116 CV 1 ASSI { 729} (( segid " " and resid 187 and name HN )) (( segid " " and resid 187 and name HB2 )) 2.500 0.800 1.000 peak 729 weight 0.10000E+01 volume 0.32626E-02 ppm1 8.368 ppm2 3.159 CV 1 ASSI { 740} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HB2 )) 2.600 0.800 1.000 peak 740 weight 0.10000E+01 volume 0.27130E-02 ppm1 8.316 ppm2 1.947 CV 1 ASSI { 724} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HA )) 2.900 1.100 1.300 peak 724 weight 0.10000E+01 volume 0.13318E-02 ppm1 8.369 ppm2 4.039 CV 1 ASSI { 713} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB1 )) 2.800 1.100 1.300 peak 713 weight 0.10000E+01 volume 0.23219E-02 ppm1 7.740 ppm2 3.270 CV 1 ASSI { 700} (( segid " " and resid 146 and name HN )) ( segid " " and resid 145 and name HE% ) 3.700 1.700 1.700 peak 700 weight 0.10000E+01 volume 0.32724E-03 ppm1 7.739 ppm2 6.761 CV 1 ASSI { 730} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HB2 )) 2.800 1.000 1.200 peak 730 weight 0.10000E+01 volume 0.17971E-02 ppm1 8.368 ppm2 1.912 CV 1 ASSI { 714} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HB1 )) 2.400 0.700 0.900 peak 714 weight 0.10000E+01 volume 0.41933E-02 ppm1 7.739 ppm2 2.834 CV 1 ASSI { 754} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HD2 )) 3.600 1.600 1.600 peak 754 weight 0.10000E+01 volume 0.37774E-03 ppm1 7.920 ppm2 2.935 CV 1 ASSI { 685} (( segid " " and resid 209 and name HN )) ( segid " " and resid 141 and name HE% ) 3.900 1.900 1.900 peak 685 weight 0.10000E+01 volume 0.25842E-03 ppm1 8.317 ppm2 6.890 CV 1 ASSI { 794} (( segid " " and resid 187 and name HN )) ( segid " " and resid 183 and name HG2%) 3.600 1.700 1.700 peak 794 weight 0.10000E+01 volume 0.34654E-03 ppm1 8.362 ppm2 1.463 CV 1 ASSI { 793} (( segid " " and resid 187 and name HN )) ( segid " " and resid 184 and name HG2%) 3.700 1.700 1.700 peak 793 weight 0.10000E+01 volume 0.33516E-03 ppm1 8.370 ppm2 0.911 CV 1 ASSI { 775} (( segid " " and resid 182 and name HN )) ( segid " " and resid 182 and name HG2%) 3.100 1.200 1.400 peak 775 weight 0.10000E+01 volume 0.93568E-03 ppm1 8.713 ppm2 0.283 CV 1 ASSI { 776} (( segid " " and resid 182 and name HN )) ( segid " " and resid 182 and name HD1%) 3.400 1.400 1.600 peak 776 weight 0.10000E+01 volume 0.52972E-03 ppm1 8.713 ppm2 0.414 CV 1 ASSI { 778} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HB2 )) 3.000 1.200 1.400 peak 778 weight 0.10000E+01 volume 0.10149E-02 ppm1 8.712 ppm2 2.815 CV 1 ASSI { 780} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HA )) 3.700 1.700 1.700 peak 780 weight 0.10000E+01 volume 0.30645E-03 ppm1 8.715 ppm2 4.299 CV 1 ASSI { 772} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 2.500 0.800 1.000 peak 772 weight 0.10000E+01 volume 0.36240E-02 ppm1 8.584 ppm2 7.737 CV 1 ASSI { 777} (( segid " " and resid 182 and name HN )) (( segid " " and resid 182 and name HG12)) 2.800 1.000 1.200 peak 777 weight 0.10000E+01 volume 0.16832E-02 ppm1 8.713 ppm2 0.870 CV 1 ASSI { 789} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HB1 )) 3.000 1.100 1.300 peak 789 weight 0.10000E+01 volume 0.10743E-02 ppm1 8.583 ppm2 3.925 CV 1 ASSI { 761} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HD21)) 3.200 1.300 1.500 peak 761 weight 0.10000E+01 volume 0.86637E-03 ppm1 8.714 ppm2 7.639 CV 1 OR { 761} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HN )) ASSI { 786} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB1 )) 2.200 0.600 0.800 peak 786 weight 0.10000E+01 volume 0.67329E-02 ppm1 8.583 ppm2 3.255 CV 1 ASSI { 787} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HA )) 3.300 3.300 2.700 peak 787 weight 0.10000E+01 volume 0.58914E-03 ppm1 8.585 ppm2 3.564 CV 1 ASSI { 783} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HG1 )) 3.400 3.400 2.600 peak 783 weight 0.10000E+01 volume 0.48071E-03 ppm1 8.584 ppm2 2.242 CV 1 ASSI { 810} (( segid " " and resid 216 and name HN )) (( segid " " and resid 214 and name HN )) 3.600 1.600 1.600 peak 810 weight 0.10000E+01 volume 0.38268E-03 ppm1 8.112 ppm2 9.205 CV 1 ASSI { 835} (( segid " " and resid 207 and name HN )) (( segid " " and resid 208 and name HG2 )) 3.400 1.400 1.600 peak 835 weight 0.10000E+01 volume 0.53467E-03 ppm1 8.493 ppm2 1.770 CV 1 ASSI { 799} (( segid " " and resid 207 and name HN )) (( segid " " and resid 205 and name HN )) 3.500 1.500 1.700 peak 799 weight 0.10000E+01 volume 0.48864E-03 ppm1 8.483 ppm2 8.169 CV 1 ASSI { 816} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HA )) 3.300 1.400 1.600 peak 816 weight 0.10000E+01 volume 0.59408E-03 ppm1 7.546 ppm2 3.425 CV 1 ASSI { 813} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB1 )) 2.700 2.700 3.300 peak 813 weight 0.10000E+01 volume 0.20496E-02 ppm1 7.543 ppm2 2.121 CV 1 ASSI { 830} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HG1 )) 2.500 0.800 1.000 peak 830 weight 0.10000E+01 volume 0.29358E-02 ppm1 8.490 ppm2 2.507 CV 1 ASSI { 809} (( segid " " and resid 216 and name HN )) (( segid " " and resid 219 and name HN )) 2.800 2.800 3.200 peak 809 weight 0.10000E+01 volume 0.19654E-02 ppm1 8.114 ppm2 8.302 CV 1 ASSI { 803} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HD2 )) 3.600 1.600 1.600 peak 803 weight 0.10000E+01 volume 0.39803E-03 ppm1 7.540 ppm2 7.177 CV 1 ASSI { 808} (( segid " " and resid 216 and name HN )) (( segid " " and resid 215 and name HN )) 2.600 0.900 1.100 peak 808 weight 0.10000E+01 volume 0.25347E-02 ppm1 8.117 ppm2 8.349 CV 1 ASSI { 831} (( segid " " and resid 207 and name HN )) ( segid " " and resid 184 and name HD1%) 2.800 1.000 1.200 peak 831 weight 0.10000E+01 volume 0.15941E-02 ppm1 8.489 ppm2 0.765 CV 1 ASSI { 798} (( segid " " and resid 207 and name HN )) (( segid " " and resid 208 and name HN )) 2.700 0.900 1.100 peak 798 weight 0.10000E+01 volume 0.25001E-02 ppm1 8.490 ppm2 7.310 CV 1 ASSI { 837} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HA )) 2.500 0.800 1.000 peak 837 weight 0.10000E+01 volume 0.36338E-02 ppm1 8.489 ppm2 3.644 CV 1 ASSI { 802} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HN )) 2.800 0.900 1.100 peak 802 weight 0.10000E+01 volume 0.20149E-02 ppm1 7.541 ppm2 8.031 CV 1 ASSI { 812} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) 2.400 0.700 0.900 peak 812 weight 0.10000E+01 volume 0.43120E-02 ppm1 7.542 ppm2 1.358 CV 1 OR { 812} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HG1 )) ASSI { 814} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HD2 )) 2.900 1.000 1.200 peak 814 weight 0.10000E+01 volume 0.14456E-02 ppm1 7.542 ppm2 3.072 CV 1 ASSI { 800} (( segid " " and resid 207 and name HN )) (( segid " " and resid 206 and name HN )) 2.700 0.900 1.100 peak 800 weight 0.10000E+01 volume 0.24407E-02 ppm1 8.488 ppm2 8.696 CV 1 ASSI { 825} (( segid " " and resid 216 and name HN )) (( segid " " and resid 215 and name HB )) 2.500 0.800 1.000 peak 825 weight 0.10000E+01 volume 0.35497E-02 ppm1 8.114 ppm2 2.001 CV 1 ASSI { 804} (( segid " " and resid 156 and name HN )) ( segid " " and resid 157 and name HD% ) 3.300 1.400 1.600 peak 804 weight 0.10000E+01 volume 0.66834E-03 ppm1 7.546 ppm2 6.842 CV 1 ASSI { 834} (( segid " " and resid 207 and name HN )) ( segid " " and resid 209 and name HG2%) 3.300 3.300 2.700 peak 834 weight 0.10000E+01 volume 0.64855E-03 ppm1 8.491 ppm2 1.287 CV 1 OR { 834} (( segid " " and resid 207 and name HN )) ( segid " " and resid 209 and name HG1%) ASSI { 806} (( segid " " and resid 216 and name HN )) (( segid " " and resid 217 and name HN )) 2.600 0.800 1.000 peak 806 weight 0.10000E+01 volume 0.28516E-02 ppm1 8.117 ppm2 8.696 CV 1 ASSI { 827} (( segid " " and resid 216 and name HN )) ( segid " " and resid 215 and name HG2%) 2.600 0.800 1.000 peak 827 weight 0.10000E+01 volume 0.26685E-02 ppm1 8.114 ppm2 0.885 CV 1 ASSI { 805} (( segid " " and resid 156 and name HN )) ( segid " " and resid 157 and name HE% ) 3.800 3.800 2.200 peak 805 weight 0.10000E+01 volume 0.27972E-03 ppm1 7.543 ppm2 6.533 CV 1 ASSI { 875} (( segid " " and resid 156 and name HN )) (( segid " " and resid 157 and name HA )) 3.800 1.800 1.800 peak 875 weight 0.10000E+01 volume 0.25050E-03 ppm1 7.546 ppm2 4.984 CV 1 ASSI { 840} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HD21)) 3.100 1.200 1.400 peak 840 weight 0.10000E+01 volume 0.91092E-03 ppm1 8.637 ppm2 7.721 CV 1 ASSI { 1876} (( segid " " and resid 174 and name HN )) (( segid " " and resid 171 and name HA )) 3.500 1.500 1.700 peak 1876 weight 0.10000E+01 volume 0.44111E-03 ppm1 8.633 ppm2 4.767 CV 1 ASSI { 844} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HN )) 2.600 0.800 1.000 peak 844 weight 0.10000E+01 volume 0.31685E-02 ppm1 8.635 ppm2 8.372 CV 1 ASSI { 859} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HB2 )) 2.500 0.800 1.000 peak 859 weight 0.10000E+01 volume 0.36735E-02 ppm1 8.636 ppm2 2.911 CV 1 ASSI { 858} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HB1 )) 2.600 2.600 3.400 peak 858 weight 0.10000E+01 volume 0.25694E-02 ppm1 8.636 ppm2 3.043 CV 1 ASSI { 842} (( segid " " and resid 174 and name HN )) (( segid " " and resid 171 and name HD22)) 3.700 1.700 1.700 peak 842 weight 0.10000E+01 volume 0.33714E-03 ppm1 8.635 ppm2 6.726 CV 1 ASSI { 841} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HD22)) 3.400 1.500 1.700 peak 841 weight 0.10000E+01 volume 0.53962E-03 ppm1 8.637 ppm2 7.124 CV 1 ASSI { 846} (( segid " " and resid 174 and name HN )) (( segid " " and resid 176 and name HN )) 3.600 1.600 1.600 peak 846 weight 0.10000E+01 volume 0.38814E-03 ppm1 8.634 ppm2 8.935 CV 1 ASSI { 871} (( segid " " and resid 205 and name HN )) (( segid " " and resid 206 and name HA )) 3.400 3.400 2.600 peak 871 weight 0.10000E+01 volume 0.49458E-03 ppm1 8.152 ppm2 3.580 CV 1 ASSI { 870} (( segid " " and resid 205 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.600 3.600 2.400 peak 870 weight 0.10000E+01 volume 0.35595E-03 ppm1 8.154 ppm2 3.270 CV 1 ASSI { 867} (( segid " " and resid 205 and name HN )) (( segid " " and resid 205 and name HG2 )) 2.600 0.800 1.000 peak 867 weight 0.10000E+01 volume 0.27526E-02 ppm1 8.156 ppm2 2.116 CV 1 ASSI { 852} (( segid " " and resid 205 and name HN )) (( segid " " and resid 204 and name HN )) 2.500 0.800 1.000 peak 852 weight 0.10000E+01 volume 0.33021E-02 ppm1 8.156 ppm2 7.563 CV 1 ASSI { 869} (( segid " " and resid 205 and name HN )) (( segid " " and resid 205 and name HG1 )) 2.400 0.700 0.900 peak 869 weight 0.10000E+01 volume 0.37328E-02 ppm1 8.156 ppm2 2.932 CV 1 ASSI { 864} (( segid " " and resid 205 and name HN )) ( segid " " and resid 201 and name HG2%) 3.100 1.200 1.400 peak 864 weight 0.10000E+01 volume 0.83172E-03 ppm1 8.156 ppm2 0.719 CV 1 ASSI { 847} (( segid " " and resid 205 and name HN )) (( segid " " and resid 206 and name HN )) 2.500 0.800 1.000 peak 847 weight 0.10000E+01 volume 0.35397E-02 ppm1 8.157 ppm2 8.699 CV 1 ASSI { 843} (( segid " " and resid 206 and name HN )) (( segid " " and resid 209 and name HN )) 3.500 1.500 1.700 peak 843 weight 0.10000E+01 volume 0.49061E-03 ppm1 8.695 ppm2 8.346 CV 1 ASSI { 849} (( segid " " and resid 205 and name HN )) ( segid " " and resid 157 and name HE% ) 3.700 1.700 1.700 peak 849 weight 0.10000E+01 volume 0.36883E-03 ppm1 8.156 ppm2 6.525 CV 1 ASSI { 904} (( segid " " and resid 183 and name HN )) (( segid " " and resid 162 and name HB2 )) 3.200 1.200 1.400 peak 904 weight 0.10000E+01 volume 0.81191E-03 ppm1 8.186 ppm2 2.587 CV 1 ASSI { 883} (( segid " " and resid 183 and name HN )) ( segid " " and resid 162 and name HD% ) 3.500 1.600 1.600 peak 883 weight 0.10000E+01 volume 0.45893E-03 ppm1 8.190 ppm2 6.879 CV 1 ASSI { 907} (( segid " " and resid 183 and name HN )) ( segid " " and resid 182 and name HG2%) 2.700 0.900 1.100 peak 907 weight 0.10000E+01 volume 0.20694E-02 ppm1 8.187 ppm2 0.281 CV 1 ASSI { 900} (( segid " " and resid 183 and name HN )) (( segid " " and resid 183 and name HB )) 2.500 0.800 1.000 peak 900 weight 0.10000E+01 volume 0.34011E-02 ppm1 8.188 ppm2 4.478 CV 1 ASSI { 879} (( segid " " and resid 206 and name HN )) (( segid " " and resid 204 and name HN )) 3.300 1.300 1.500 peak 879 weight 0.10000E+01 volume 0.72775E-03 ppm1 8.698 ppm2 7.543 CV 1 ASSI { 905} (( segid " " and resid 183 and name HN )) (( segid " " and resid 182 and name HB )) 2.700 0.900 1.100 peak 905 weight 0.10000E+01 volume 0.20546E-02 ppm1 8.187 ppm2 1.573 CV 1 ASSI { 887} (( segid " " and resid 206 and name HN )) (( segid " " and resid 206 and name HB2 )) 2.400 0.700 0.900 peak 887 weight 0.10000E+01 volume 0.39111E-02 ppm1 8.700 ppm2 1.609 CV 1 ASSI { 877} (( segid " " and resid 206 and name HN )) ( segid " " and resid 157 and name HD% ) 3.600 1.600 1.600 peak 877 weight 0.10000E+01 volume 0.40695E-03 ppm1 8.700 ppm2 6.849 CV 1 ASSI { 888} (( segid " " and resid 206 and name HN )) (( segid " " and resid 208 and name HG2 )) 3.400 3.400 2.600 peak 888 weight 0.10000E+01 volume 0.48715E-03 ppm1 8.700 ppm2 1.774 CV 1 ASSI { 893} (( segid " " and resid 206 and name HN )) (( segid " " and resid 207 and name HG1 )) 3.500 1.500 1.700 peak 893 weight 0.10000E+01 volume 0.43517E-03 ppm1 8.703 ppm2 2.507 CV 1 ASSI { 890} (( segid " " and resid 206 and name HN )) (( segid " " and resid 184 and name HG11)) 3.900 1.900 1.900 peak 890 weight 0.10000E+01 volume 0.23368E-03 ppm1 8.700 ppm2 1.101 CV 1 ASSI { 894} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HG1 )) 3.200 1.300 1.500 peak 894 weight 0.10000E+01 volume 0.76736E-03 ppm1 8.700 ppm2 2.931 CV 1 ASSI { 886} (( segid " " and resid 206 and name HN )) ( segid " " and resid 209 and name HG2%) 2.900 2.900 3.100 peak 886 weight 0.10000E+01 volume 0.13763E-02 ppm1 8.702 ppm2 1.295 CV 1 ASSI { 1744} (( segid " " and resid 206 and name HN )) (( segid " " and resid 204 and name HA )) 2.900 2.900 3.100 peak 1744 weight 0.10000E+01 volume 0.12624E-02 ppm1 8.704 ppm2 4.102 CV 1 ASSI { 892} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HB1 )) 2.600 2.600 3.400 peak 892 weight 0.10000E+01 volume 0.24110E-02 ppm1 8.701 ppm2 2.291 CV 1 ASSI { 885} (( segid " " and resid 183 and name HN )) (( segid " " and resid 182 and name HN )) 2.700 0.900 1.100 peak 885 weight 0.10000E+01 volume 0.22030E-02 ppm1 8.190 ppm2 8.710 CV 1 ASSI { 876} (( segid " " and resid 206 and name HN )) ( segid " " and resid 157 and name HE% ) 3.600 1.600 1.600 peak 876 weight 0.10000E+01 volume 0.39160E-03 ppm1 8.698 ppm2 6.522 CV 1 ASSI { 917} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 2.700 0.900 1.100 peak 917 weight 0.10000E+01 volume 0.21387E-02 ppm1 7.938 ppm2 8.977 CV 1 ASSI { 912} (( segid " " and resid 151 and name HN )) ( segid " " and resid 150 and name HD% ) 2.600 0.900 1.100 peak 912 weight 0.10000E+01 volume 0.26585E-02 ppm1 7.938 ppm2 7.523 CV 1 ASSI { 910} (( segid " " and resid 151 and name HN )) ( segid " " and resid 141 and name HE% ) 3.200 1.300 1.500 peak 910 weight 0.10000E+01 volume 0.77726E-03 ppm1 7.938 ppm2 6.910 CV 1 ASSI { 913} (( segid " " and resid 226 and name HN )) (( segid " " and resid 224 and name HN )) 3.200 1.300 1.500 peak 913 weight 0.10000E+01 volume 0.84161E-03 ppm1 7.972 ppm2 7.519 CV 1 ASSI { 919} (( segid " " and resid 151 and name HN )) ( segid " " and resid 205 and name HE% ) 3.500 1.500 1.700 peak 919 weight 0.10000E+01 volume 0.42180E-03 ppm1 7.940 ppm2 1.497 CV 1 ASSI { 929} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB1 )) 2.800 1.000 1.200 peak 929 weight 0.10000E+01 volume 0.16783E-02 ppm1 7.939 ppm2 3.552 CV 1 ASSI { 921} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG2 )) 2.800 1.000 1.200 peak 921 weight 0.10000E+01 volume 0.17327E-02 ppm1 7.939 ppm2 1.738 CV 1 ASSI { 914} (( segid " " and resid 226 and name HN )) (( segid " " and resid 223 and name HN )) 3.500 1.500 1.700 peak 914 weight 0.10000E+01 volume 0.47577E-03 ppm1 7.977 ppm2 7.657 CV 1 ASSI { 916} (( segid " " and resid 226 and name HN )) (( segid " " and resid 227 and name HN )) 2.300 0.700 0.900 peak 916 weight 0.10000E+01 volume 0.60893E-02 ppm1 7.975 ppm2 7.861 CV 1 ASSI { 922} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB1 )) 2.200 2.200 3.800 peak 922 weight 0.10000E+01 volume 0.62874E-02 ppm1 7.938 ppm2 2.051 CV 1 OR { 922} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG1 )) ASSI { 920} (( segid " " and resid 226 and name HN )) ( segid " " and resid 224 and name HB% ) 3.500 1.500 1.700 peak 920 weight 0.10000E+01 volume 0.42180E-03 ppm1 7.975 ppm2 1.418 CV 1 ASSI { 909} (( segid " " and resid 226 and name HN )) ( segid " " and resid 225 and name HE% ) 2.900 2.900 3.100 peak 909 weight 0.10000E+01 volume 0.14902E-02 ppm1 7.976 ppm2 6.657 CV 1 ASSI { 925} (( segid " " and resid 226 and name HN )) (( segid " " and resid 227 and name HG2 )) 3.500 1.500 1.700 peak 925 weight 0.10000E+01 volume 0.43517E-03 ppm1 7.977 ppm2 2.360 CV 1 OR { 925} (( segid " " and resid 226 and name HN )) (( segid " " and resid 227 and name HG1 )) ASSI { 934} (( segid " " and resid 151 and name HN )) (( segid " " and resid 147 and name HA )) 3.400 1.500 1.700 peak 934 weight 0.10000E+01 volume 0.47378E-03 ppm1 7.940 ppm2 4.678 CV 1 ASSI { 924} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HG2 )) 3.400 3.400 2.600 peak 924 weight 0.10000E+01 volume 0.48715E-03 ppm1 7.938 ppm2 2.407 CV 1 ASSI { 923} (( segid " " and resid 151 and name HN )) (( segid " " and resid 154 and name HG1 )) 3.600 1.600 1.600 peak 923 weight 0.10000E+01 volume 0.38071E-03 ppm1 7.938 ppm2 2.578 CV 1 ASSI { 939} (( segid " " and resid 192 and name HN )) (( segid " " and resid 196 and name HN )) 3.100 3.100 2.900 peak 939 weight 0.10000E+01 volume 0.10842E-02 ppm1 8.209 ppm2 7.580 CV 1 ASSI { 940} (( segid " " and resid 192 and name HN )) ( segid " " and resid 198 and name HD% ) 3.700 1.700 1.700 peak 940 weight 0.10000E+01 volume 0.36586E-03 ppm1 8.211 ppm2 7.357 CV 1 ASSI { 942} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HN )) 2.400 0.700 0.900 peak 942 weight 0.10000E+01 volume 0.49358E-02 ppm1 8.206 ppm2 8.027 CV 1 ASSI { 944} (( segid " " and resid 128 and name HN )) ( segid " " and resid 129 and name HE% ) 3.700 1.700 1.700 peak 944 weight 0.10000E+01 volume 0.31338E-03 ppm1 7.748 ppm2 1.981 CV 1 ASSI { 953} (( segid " " and resid 192 and name HN )) (( segid " " and resid 192 and name HB )) 2.500 0.500 0.700 peak 953 weight 0.10000E+01 volume 0.10693E-01 ppm1 8.206 ppm2 4.351 CV 1 OR { 953} (( segid " " and resid 192 and name HN )) (( segid " " and resid 192 and name HA )) ASSI { 941} (( segid " " and resid 192 and name HN )) (( segid " " and resid 193 and name HN )) 2.400 0.700 0.900 peak 941 weight 0.10000E+01 volume 0.47577E-02 ppm1 8.206 ppm2 7.848 CV 1 ASSI { 937} (( segid " " and resid 128 and name HN )) (( segid " " and resid 126 and name HN )) 3.500 1.500 1.700 peak 937 weight 0.10000E+01 volume 0.47577E-03 ppm1 7.746 ppm2 8.551 CV 1 ASSI { 945} (( segid " " and resid 128 and name HN )) (( segid " " and resid 162 and name HB1 )) 3.500 1.600 1.900 peak 945 weight 0.10000E+01 volume 0.39952E-03 ppm1 7.743 ppm2 2.572 CV 1 ASSI { 938} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 3.200 1.300 1.500 peak 938 weight 0.10000E+01 volume 0.78221E-03 ppm1 7.746 ppm2 9.019 CV 1 ASSI { 964} (( segid " " and resid 128 and name HN )) (( segid " " and resid 164 and name HG2 )) 3.900 1.900 1.900 peak 964 weight 0.10000E+01 volume 0.23812E-03 ppm1 7.743 ppm2 1.156 CV 1 OR { 964} (( segid " " and resid 128 and name HN )) (( segid " " and resid 164 and name HG1 )) ASSI { 956} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HE% ) 3.200 3.200 2.800 peak 956 weight 0.10000E+01 volume 0.82677E-03 ppm1 7.743 ppm2 6.655 CV 1 ASSI { 962} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 2.200 0.600 0.800 peak 962 weight 0.10000E+01 volume 0.68815E-02 ppm1 7.744 ppm2 2.856 CV 1 ASSI { 966} (( segid " " and resid 128 and name HN )) ( segid " " and resid 182 and name HG2%) 3.900 1.900 1.900 peak 966 weight 0.10000E+01 volume 0.22674E-03 ppm1 7.748 ppm2 0.282 CV 1 ASSI { 968} (( segid " " and resid 153 and name HD21)) (( segid " " and resid 153 and name HA )) 3.800 1.800 1.800 peak 968 weight 0.10000E+01 volume 0.27526E-03 ppm1 6.791 ppm2 4.319 CV 1 ASSI { 969} (( segid " " and resid 153 and name HD22)) (( segid " " and resid 153 and name HD21)) 2.500 0.800 1.000 peak 969 weight 0.10000E+01 volume 0.35447E-02 ppm1 6.572 ppm2 6.796 CV 1 ASSI { 971} (( segid " " and resid 153 and name HD22)) (( segid " " and resid 153 and name HB2 )) 2.800 1.000 1.200 peak 971 weight 0.10000E+01 volume 0.15645E-02 ppm1 6.573 ppm2 2.146 CV 1 OR { 971} (( segid " " and resid 153 and name HD22)) (( segid " " and resid 153 and name HB1 )) ASSI { 977} (( segid " " and resid 153 and name HD22)) (( segid " " and resid 153 and name HA )) 3.600 1.700 1.700 peak 977 weight 0.10000E+01 volume 0.34654E-03 ppm1 6.574 ppm2 4.337 CV 1 ASSI { 973} (( segid " " and resid 153 and name HD22)) (( segid " " and resid 152 and name HB2 )) 3.000 1.200 1.400 peak 973 weight 0.10000E+01 volume 0.10199E-02 ppm1 6.575 ppm2 1.869 CV 1 OR { 973} (( segid " " and resid 153 and name HD22)) (( segid " " and resid 152 and name HB1 )) ASSI { 980} (( segid " " and resid 153 and name HD22)) (( segid " " and resid 153 and name HN )) 3.200 1.300 1.500 peak 980 weight 0.10000E+01 volume 0.74756E-03 ppm1 6.575 ppm2 7.568 CV 1 ASSI { 976} (( segid " " and resid 153 and name HD22)) (( segid " " and resid 149 and name HA )) 3.300 1.400 1.600 peak 976 weight 0.10000E+01 volume 0.62379E-03 ppm1 6.575 ppm2 3.836 CV 1 ASSI { 979} (( segid " " and resid 153 and name HD22)) ( segid " " and resid 149 and name HD% ) 3.200 1.300 1.500 peak 979 weight 0.10000E+01 volume 0.86637E-03 ppm1 6.573 ppm2 6.922 CV 1 ASSI { 978} (( segid " " and resid 153 and name HD21)) ( segid " " and resid 157 and name HD% ) 3.300 3.300 2.700 peak 978 weight 0.10000E+01 volume 0.69310E-03 ppm1 6.791 ppm2 6.908 CV 1 ASSI { 975} (( segid " " and resid 153 and name HD21)) (( segid " " and resid 149 and name HA )) 3.500 1.500 1.700 peak 975 weight 0.10000E+01 volume 0.47031E-03 ppm1 6.793 ppm2 3.833 CV 1 ASSI { 974} (( segid " " and resid 153 and name HD21)) (( segid " " and resid 153 and name HB2 )) 2.900 1.000 1.200 peak 974 weight 0.10000E+01 volume 0.14704E-02 ppm1 6.789 ppm2 2.148 CV 1 ASSI { 988} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HD22)) 3.800 1.800 1.800 peak 988 weight 0.10000E+01 volume 0.27972E-03 ppm1 8.373 ppm2 6.735 CV 1 ASSI { 984} (( segid " " and resid 208 and name HN )) (( segid " " and resid 141 and name HZ )) 3.800 1.800 1.800 peak 984 weight 0.10000E+01 volume 0.30545E-03 ppm1 7.310 ppm2 6.697 CV 1 ASSI { 993} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HB1 )) 2.200 0.600 0.800 peak 993 weight 0.10000E+01 volume 0.63864E-02 ppm1 8.374 ppm2 2.718 CV 1 ASSI { 985} (( segid " " and resid 208 and name HN )) ( segid " " and resid 141 and name HE% ) 3.700 1.700 1.700 peak 985 weight 0.10000E+01 volume 0.32477E-03 ppm1 7.311 ppm2 6.876 CV 1 ASSI { 989} (( segid " " and resid 173 and name HN )) ( segid " " and resid 218 and name HE% ) 3.700 1.700 1.700 peak 989 weight 0.10000E+01 volume 0.31981E-03 ppm1 8.368 ppm2 6.545 CV 1 ASSI { 1028} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HA )) 2.400 0.700 0.900 peak 1028 weight 0.10000E+01 volume 0.45348E-02 ppm1 8.374 ppm2 4.240 CV 1 ASSI { 1051} (( segid " " and resid 208 and name HN )) ( segid " " and resid 184 and name HD1%) 3.500 1.500 1.700 peak 1051 weight 0.10000E+01 volume 0.43269E-03 ppm1 7.307 ppm2 0.776 CV 1 ASSI { 1921} (( segid " " and resid 208 and name HN )) (( segid " " and resid 205 and name HA )) 2.800 1.000 1.200 peak 1921 weight 0.10000E+01 volume 0.17030E-02 ppm1 7.311 ppm2 4.128 CV 1 ASSI { 1047} (( segid " " and resid 208 and name HN )) (( segid " " and resid 208 and name HB2 )) 2.300 0.700 0.900 peak 1047 weight 0.10000E+01 volume 0.52972E-02 ppm1 7.308 ppm2 1.943 CV 1 ASSI { 1048} (( segid " " and resid 208 and name HN )) (( segid " " and resid 208 and name HG2 )) 2.500 0.800 1.000 peak 1048 weight 0.10000E+01 volume 0.35348E-02 ppm1 7.309 ppm2 1.777 CV 1 ASSI { 1049} (( segid " " and resid 208 and name HN )) ( segid " " and resid 209 and name HG2%) 3.200 1.200 1.400 peak 1049 weight 0.10000E+01 volume 0.81191E-03 ppm1 7.309 ppm2 1.290 CV 1 ASSI { 1045} (( segid " " and resid 208 and name HN )) (( segid " " and resid 207 and name HG1 )) 3.400 1.400 1.600 peak 1045 weight 0.10000E+01 volume 0.56438E-03 ppm1 7.309 ppm2 2.506 CV 1 ASSI { 1052} (( segid " " and resid 208 and name HN )) ( segid " " and resid 139 and name HD1%) 3.600 1.600 1.600 peak 1052 weight 0.10000E+01 volume 0.38021E-03 ppm1 7.308 ppm2 0.448 CV 1 ASSI { 1000} (( segid " " and resid 208 and name HN )) (( segid " " and resid 210 and name HN )) 3.500 1.500 1.700 peak 1000 weight 0.10000E+01 volume 0.51488E-03 ppm1 7.309 ppm2 9.096 CV 1 ASSI { 1026} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HA )) 3.200 1.300 1.500 peak 1026 weight 0.10000E+01 volume 0.78221E-03 ppm1 8.356 ppm2 3.514 CV 1 ASSI { 999} (( segid " " and resid 208 and name HN )) (( segid " " and resid 206 and name HN )) 3.400 1.400 1.600 peak 999 weight 0.10000E+01 volume 0.58419E-03 ppm1 7.308 ppm2 8.673 CV 1 ASSI { 1031} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HA )) 2.900 1.100 1.300 peak 1031 weight 0.10000E+01 volume 0.12872E-02 ppm1 8.371 ppm2 4.763 CV 1 ASSI { 1020} (( segid " " and resid 177 and name HN )) ( segid " " and resid 176 and name HG2%) 2.600 2.600 3.400 peak 1020 weight 0.10000E+01 volume 0.25694E-02 ppm1 8.353 ppm2 1.044 CV 1 ASSI { 1009} (( segid " " and resid 177 and name HN )) (( segid " " and resid 179 and name HN )) 3.300 1.400 1.600 peak 1009 weight 0.10000E+01 volume 0.68320E-03 ppm1 8.369 ppm2 8.072 CV 1 ASSI { 1029} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HA )) 2.500 0.800 1.000 peak 1029 weight 0.10000E+01 volume 0.34853E-02 ppm1 8.352 ppm2 4.305 CV 1 ASSI { 1025} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HB2 )) 2.200 0.600 0.800 peak 1025 weight 0.10000E+01 volume 0.61884E-02 ppm1 8.352 ppm2 3.352 CV 1 ASSI { 1023} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HB )) 2.600 2.600 3.400 peak 1023 weight 0.10000E+01 volume 0.24555E-02 ppm1 8.352 ppm2 2.237 CV 1 ASSI { 1004} (( segid " " and resid 186 and name HN )) (( segid " " and resid 185 and name HN )) 2.600 0.800 1.000 peak 1004 weight 0.10000E+01 volume 0.29209E-02 ppm1 8.454 ppm2 8.054 CV 1 ASSI { 1053} (( segid " " and resid 208 and name HN )) ( segid " " and resid 139 and name HG2%) 3.700 1.800 1.800 peak 1053 weight 0.10000E+01 volume 0.28912E-03 ppm1 7.310 ppm2 -0.041 CV 1 ASSI { 1003} (( segid " " and resid 177 and name HN )) (( segid " " and resid 180 and name HN )) 3.800 1.800 1.800 peak 1003 weight 0.10000E+01 volume 0.28664E-03 ppm1 8.353 ppm2 9.141 CV 1 ASSI { 1016} (( segid " " and resid 186 and name HN )) (( segid " " and resid 186 and name HG2 )) 2.700 0.900 1.100 peak 1016 weight 0.10000E+01 volume 0.23020E-02 ppm1 8.454 ppm2 1.663 CV 1 ASSI { 1019} (( segid " " and resid 186 and name HN )) ( segid " " and resid 182 and name HG2%) 3.600 1.600 1.600 peak 1019 weight 0.10000E+01 volume 0.38764E-03 ppm1 8.453 ppm2 0.268 CV 1 ASSI { 1015} (( segid " " and resid 186 and name HN )) (( segid " " and resid 186 and name HB2 )) 2.100 0.600 0.800 peak 1015 weight 0.10000E+01 volume 0.81191E-02 ppm1 8.454 ppm2 1.908 CV 1 ASSI { 1018} (( segid " " and resid 186 and name HN )) ( segid " " and resid 184 and name HG2%) 3.200 1.300 1.500 peak 1018 weight 0.10000E+01 volume 0.78221E-03 ppm1 8.455 ppm2 0.887 CV 1 ASSI { 1002} (( segid " " and resid 201 and name HN )) (( segid " " and resid 199 and name HN )) 3.800 1.800 1.800 peak 1002 weight 0.10000E+01 volume 0.29159E-03 ppm1 7.921 ppm2 9.595 CV 1 ASSI { 1001} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HN )) 2.600 0.800 1.000 peak 1001 weight 0.10000E+01 volume 0.30199E-02 ppm1 7.922 ppm2 8.970 CV 1 ASSI { 1039} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HB2 )) 2.500 0.800 1.000 peak 1039 weight 0.10000E+01 volume 0.33516E-02 ppm1 7.922 ppm2 1.895 CV 1 OR { 1039} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HB1 )) ASSI { 1058} (( segid " " and resid 201 and name HN )) (( segid " " and resid 202 and name HN )) 2.400 0.700 0.900 peak 1058 weight 0.10000E+01 volume 0.43022E-02 ppm1 7.924 ppm2 7.544 CV 1 ASSI { 1072} (( segid " " and resid 201 and name HN )) (( segid " " and resid 202 and name HB2 )) 3.900 1.900 1.900 peak 1072 weight 0.10000E+01 volume 0.22427E-03 ppm1 7.919 ppm2 2.654 CV 1 ASSI { 1073} (( segid " " and resid 201 and name HN )) ( segid " " and resid 199 and name HG2%) 2.800 2.800 3.200 peak 1073 weight 0.10000E+01 volume 0.15050E-02 ppm1 7.923 ppm2 1.446 CV 1 ASSI { 1074} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HG2 )) 3.400 1.500 1.700 peak 1074 weight 0.10000E+01 volume 0.48715E-03 ppm1 7.922 ppm2 1.585 CV 1 ASSI { 1070} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HB )) 2.200 0.600 0.800 peak 1070 weight 0.10000E+01 volume 0.62379E-02 ppm1 7.923 ppm2 3.728 CV 1 ASSI { 1085} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HA )) 3.700 1.700 1.700 peak 1085 weight 0.10000E+01 volume 0.32922E-03 ppm1 8.081 ppm2 4.347 CV 1 ASSI { 1059} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HN )) 3.800 1.800 1.800 peak 1059 weight 0.10000E+01 volume 0.30645E-03 ppm1 8.083 ppm2 8.976 CV 1 ASSI { 1068} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HD22)) 3.800 1.800 1.800 peak 1068 weight 0.10000E+01 volume 0.30051E-03 ppm1 8.646 ppm2 6.793 CV 1 ASSI { 1064} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HN )) 2.300 0.600 0.800 peak 1064 weight 0.10000E+01 volume 0.64855E-02 ppm1 8.643 ppm2 7.303 CV 1 ASSI { 1087} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HA )) 3.200 3.200 2.800 peak 1087 weight 0.10000E+01 volume 0.68815E-03 ppm1 8.642 ppm2 4.513 CV 1 ASSI { 1076} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HG2 )) 3.100 3.100 2.900 peak 1076 weight 0.10000E+01 volume 0.88123E-03 ppm1 8.080 ppm2 1.749 CV 1 ASSI { 1063} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HD21)) 3.400 1.400 1.600 peak 1063 weight 0.10000E+01 volume 0.60398E-03 ppm1 8.080 ppm2 6.809 CV 1 ASSI { 1060} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HN )) 2.500 0.800 1.000 peak 1060 weight 0.10000E+01 volume 0.34457E-02 ppm1 8.081 ppm2 7.575 CV 1 ASSI { 1080} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HG2 )) 2.600 0.700 0.900 peak 1080 weight 0.10000E+01 volume 0.37476E-02 ppm1 8.080 ppm2 2.418 CV 1 ASSI { 1056} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB2 )) 2.900 1.100 1.300 peak 1056 weight 0.10000E+01 volume 0.13466E-02 ppm1 8.641 ppm2 1.644 CV 1 ASSI { 1097} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HG1 )) 3.500 1.500 1.700 peak 1097 weight 0.10000E+01 volume 0.43615E-03 ppm1 8.639 ppm2 2.161 CV 1 ASSI { 1078} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HG1 )) 2.600 2.600 3.400 peak 1078 weight 0.10000E+01 volume 0.25793E-02 ppm1 8.081 ppm2 2.034 CV 1 ASSI { 1077} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB2 )) 2.200 0.600 0.800 peak 1077 weight 0.10000E+01 volume 0.80201E-02 ppm1 8.080 ppm2 1.875 CV 1 ASSI { 1091} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB1 )) 3.200 1.300 1.500 peak 1091 weight 0.10000E+01 volume 0.78221E-03 ppm1 8.640 ppm2 3.598 CV 1 ASSI { 1054} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HG2 )) 3.400 3.400 2.600 peak 1054 weight 0.10000E+01 volume 0.50002E-03 ppm1 8.642 ppm2 1.244 CV 1 ASSI { 1055} (( segid " " and resid 159 and name HN )) ( segid " " and resid 183 and name HG2%) 3.600 3.600 2.400 peak 1055 weight 0.10000E+01 volume 0.35348E-03 ppm1 8.640 ppm2 1.462 CV 1 ASSI { 1094} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB2 )) 2.200 0.600 0.800 peak 1094 weight 0.10000E+01 volume 0.75251E-02 ppm1 8.445 ppm2 1.985 CV 1 ASSI { 1092} (( segid " " and resid 159 and name HN )) (( segid " " and resid 157 and name HB1 )) 3.700 3.700 2.300 peak 1092 weight 0.10000E+01 volume 0.32229E-03 ppm1 8.643 ppm2 3.107 CV 1 OR { 1092} (( segid " " and resid 159 and name HN )) (( segid " " and resid 157 and name HB2 )) ASSI { 1057} (( segid " " and resid 159 and name HN )) ( segid " " and resid 213 and name HE% ) 3.400 1.400 1.600 peak 1057 weight 0.10000E+01 volume 0.55943E-03 ppm1 8.644 ppm2 1.870 CV 1 ASSI { 1098} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HG2 )) 3.400 1.400 1.600 peak 1098 weight 0.10000E+01 volume 0.52478E-03 ppm1 8.641 ppm2 1.996 CV 1 OR { 1098} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HB1 )) ASSI { 1066} (( segid " " and resid 159 and name HN )) (( segid " " and resid 187 and name HE1 )) 3.700 1.700 1.700 peak 1066 weight 0.10000E+01 volume 0.32575E-03 ppm1 8.646 ppm2 7.911 CV 1 ASSI { 1897} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 2.200 2.200 3.800 peak 1897 weight 0.10000E+01 volume 0.77231E-02 ppm1 8.439 ppm2 3.777 CV 1 ASSI { 1126} (( segid " " and resid 135 and name HN )) ( segid " " and resid 216 and name HG2%) 3.400 3.400 2.600 peak 1126 weight 0.10000E+01 volume 0.50002E-03 ppm1 8.440 ppm2 1.244 CV 1 ASSI { 1137} (( segid " " and resid 181 and name HN )) ( segid " " and resid 184 and name HD1%) 3.500 1.600 1.600 peak 1137 weight 0.10000E+01 volume 0.40051E-03 ppm1 7.640 ppm2 0.781 CV 1 ASSI { 1129} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HA )) 3.200 1.300 1.500 peak 1129 weight 0.10000E+01 volume 0.75746E-03 ppm1 7.640 ppm2 3.649 CV 1 ASSI { 1120} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HN )) 2.700 0.900 1.100 peak 1120 weight 0.10000E+01 volume 0.20694E-02 ppm1 7.640 ppm2 9.144 CV 1 ASSI { 1132} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HB )) 2.500 0.800 1.000 peak 1132 weight 0.10000E+01 volume 0.34506E-02 ppm1 7.640 ppm2 2.165 CV 1 ASSI { 1135} (( segid " " and resid 181 and name HN )) ( segid " " and resid 180 and name HG1%) 2.900 1.000 1.200 peak 1135 weight 0.10000E+01 volume 0.14357E-02 ppm1 7.639 ppm2 1.051 CV 1 ASSI { 1136} (( segid " " and resid 181 and name HN )) ( segid " " and resid 180 and name HG2%) 2.700 2.700 3.300 peak 1136 weight 0.10000E+01 volume 0.20546E-02 ppm1 7.640 ppm2 0.943 CV 1 ASSI { 1119} (( segid " " and resid 181 and name HN )) (( segid " " and resid 182 and name HN )) 2.900 1.000 1.200 peak 1119 weight 0.10000E+01 volume 0.15792E-02 ppm1 7.640 ppm2 8.706 CV 1 ASSI { 1122} (( segid " " and resid 193 and name HN )) ( segid " " and resid 198 and name HD% ) 3.800 3.800 2.200 peak 1122 weight 0.10000E+01 volume 0.28863E-03 ppm1 7.857 ppm2 7.333 CV 1 ASSI { 1131} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HB2 )) 2.300 2.300 3.700 peak 1131 weight 0.10000E+01 volume 0.52972E-02 ppm1 7.641 ppm2 2.830 CV 1 ASSI { 1128} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HA )) 2.400 0.700 0.900 peak 1128 weight 0.10000E+01 volume 0.39358E-02 ppm1 7.640 ppm2 4.312 CV 1 ASSI { 1133} (( segid " " and resid 181 and name HN )) (( segid " " and resid 182 and name HB )) 3.700 1.700 1.700 peak 1133 weight 0.10000E+01 volume 0.32626E-03 ppm1 7.641 ppm2 1.576 CV 1 ASSI { 1138} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HD22)) 3.900 1.900 1.900 peak 1138 weight 0.10000E+01 volume 0.24160E-03 ppm1 7.641 ppm2 6.785 CV 1 ASSI { 1113} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HN )) 3.600 1.600 1.600 peak 1113 weight 0.10000E+01 volume 0.43615E-03 ppm1 9.595 ppm2 8.691 CV 1 ASSI { 1117} (( segid " " and resid 181 and name HN )) (( segid " " and resid 179 and name HN )) 3.500 1.500 1.700 peak 1117 weight 0.10000E+01 volume 0.49507E-03 ppm1 7.633 ppm2 8.086 CV 1 ASSI { 1102} (( segid " " and resid 199 and name HN )) (( segid " " and resid 202 and name HB2 )) 2.900 2.900 3.100 peak 1102 weight 0.10000E+01 volume 0.14357E-02 ppm1 9.594 ppm2 2.648 CV 1 ASSI { 1108} (( segid " " and resid 199 and name HN )) ( segid " " and resid 198 and name HD% ) 2.900 1.100 1.300 peak 1108 weight 0.10000E+01 volume 0.14308E-02 ppm1 9.593 ppm2 7.336 CV 1 ASSI { 1100} (( segid " " and resid 199 and name HN )) ( segid " " and resid 199 and name HG2%) 2.400 2.400 3.600 peak 1100 weight 0.10000E+01 volume 0.39754E-02 ppm1 9.594 ppm2 1.434 CV 1 ASSI { 1134} (( segid " " and resid 181 and name HN )) ( segid " " and resid 210 and name HG1%) 3.800 1.800 1.800 peak 1134 weight 0.10000E+01 volume 0.28714E-03 ppm1 7.643 ppm2 1.226 CV 1 ASSI { 1139} (( segid " " and resid 199 and name HN )) ( segid " " and resid 203 and name HG1%) 3.600 1.600 1.600 peak 1139 weight 0.10000E+01 volume 0.36041E-03 ppm1 9.591 ppm2 0.959 CV 1 ASSI { 1150} (( segid " " and resid 193 and name HN )) (( segid " " and resid 194 and name HB2 )) 3.500 1.500 1.700 peak 1150 weight 0.10000E+01 volume 0.45447E-03 ppm1 7.851 ppm2 1.841 CV 1 ASSI { 1143} (( segid " " and resid 193 and name HN )) (( segid " " and resid 194 and name HN )) 2.400 0.700 0.900 peak 1143 weight 0.10000E+01 volume 0.47577E-02 ppm1 7.850 ppm2 7.618 CV 1 ASSI { 1148} (( segid " " and resid 193 and name HN )) (( segid " " and resid 194 and name HG1 )) 3.300 1.300 1.500 peak 1148 weight 0.10000E+01 volume 0.63864E-03 ppm1 7.851 ppm2 1.498 CV 1 OR { 1148} (( segid " " and resid 193 and name HN )) (( segid " " and resid 194 and name HG2 )) ASSI { 1146} (( segid " " and resid 193 and name HN )) ( segid " " and resid 191 and name HG2%) 3.000 3.000 3.000 peak 1146 weight 0.10000E+01 volume 0.10149E-02 ppm1 7.851 ppm2 0.956 CV 1 ASSI { 1160} (( segid " " and resid 222 and name HN )) (( segid " " and resid 219 and name HB1 )) 3.300 1.400 1.600 peak 1160 weight 0.10000E+01 volume 0.59408E-03 ppm1 8.464 ppm2 2.357 CV 1 OR { 1160} (( segid " " and resid 222 and name HN )) (( segid " " and resid 219 and name HG2 )) ASSI { 1162} (( segid " " and resid 222 and name HN )) (( segid " " and resid 220 and name HN )) 3.800 1.800 1.800 peak 1162 weight 0.10000E+01 volume 0.30942E-03 ppm1 8.460 ppm2 7.908 CV 1 ASSI { 1157} (( segid " " and resid 222 and name HN )) (( segid " " and resid 222 and name HB1 )) 2.900 1.000 1.200 peak 1157 weight 0.10000E+01 volume 0.13664E-02 ppm1 8.464 ppm2 3.594 CV 1 ASSI { 1163} (( segid " " and resid 212 and name HE22)) (( segid " " and resid 139 and name HN )) 3.900 1.900 1.900 peak 1163 weight 0.10000E+01 volume 0.26931E-03 ppm1 6.873 ppm2 6.465 CV 1 ASSI { 1172} (( segid " " and resid 212 and name HE21)) (( segid " " and resid 139 and name HN )) 3.600 1.700 1.700 peak 1172 weight 0.10000E+01 volume 0.37675E-03 ppm1 7.261 ppm2 6.449 CV 1 ASSI { 1185} (( segid " " and resid 212 and name HE22)) (( segid " " and resid 212 and name HA )) 3.900 1.900 1.900 peak 1185 weight 0.10000E+01 volume 0.24407E-03 ppm1 6.878 ppm2 4.004 CV 1 ASSI { 1174} (( segid " " and resid 212 and name HE21)) (( segid " " and resid 212 and name HE22)) 2.400 0.700 0.900 peak 1174 weight 0.10000E+01 volume 0.42527E-02 ppm1 7.262 ppm2 6.865 CV 1 ASSI { 1192} (( segid " " and resid 212 and name HE21)) (( segid " " and resid 212 and name HB2 )) 3.600 1.600 1.600 peak 1192 weight 0.10000E+01 volume 0.37279E-03 ppm1 7.265 ppm2 2.165 CV 1 ASSI { 1206} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB2 )) 3.200 1.200 1.400 peak 1206 weight 0.10000E+01 volume 0.81687E-03 ppm1 8.026 ppm2 1.339 CV 1 ASSI { 1200} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB2 )) 2.500 0.800 1.000 peak 1200 weight 0.10000E+01 volume 0.31288E-02 ppm1 8.027 ppm2 2.987 CV 1 ASSI { 1205} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB1 )) 3.500 1.600 1.600 peak 1205 weight 0.10000E+01 volume 0.40497E-03 ppm1 8.027 ppm2 1.672 CV 1 ASSI { 1199} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB1 )) 2.600 2.600 3.400 peak 1199 weight 0.10000E+01 volume 0.27575E-02 ppm1 8.027 ppm2 3.238 CV 1 ASSI { 1202} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HG1 )) 2.900 1.000 1.200 peak 1202 weight 0.10000E+01 volume 0.14407E-02 ppm1 8.028 ppm2 2.537 CV 1 ASSI { 1178} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HD2 )) 3.000 1.100 1.300 peak 1178 weight 0.10000E+01 volume 0.11683E-02 ppm1 8.027 ppm2 7.176 CV 1 ASSI { 1196} (( segid " " and resid 155 and name HN )) (( segid " " and resid 153 and name HA )) 3.400 1.400 1.600 peak 1196 weight 0.10000E+01 volume 0.52972E-03 ppm1 8.030 ppm2 4.341 CV 1 ASSI { 1188} (( segid " " and resid 212 and name HE21)) (( segid " " and resid 137 and name HA )) 3.700 1.700 1.700 peak 1188 weight 0.10000E+01 volume 0.29308E-03 ppm1 7.258 ppm2 4.419 CV 1 ASSI { 1182} (( segid " " and resid 212 and name HE22)) (( segid " " and resid 212 and name HB2 )) 3.800 1.800 1.800 peak 1182 weight 0.10000E+01 volume 0.28269E-03 ppm1 6.876 ppm2 2.172 CV 1 ASSI { 1189} (( segid " " and resid 212 and name HE21)) (( segid " " and resid 212 and name HA )) 3.600 1.600 1.600 peak 1189 weight 0.10000E+01 volume 0.34803E-03 ppm1 7.265 ppm2 4.000 CV 1 ASSI { 1216} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HD1 )) 2.500 0.800 1.000 peak 1216 weight 0.10000E+01 volume 0.32477E-02 ppm1 7.497 ppm2 3.209 CV 1 OR { 1216} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HD2 )) ASSI { 1218} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HG2 )) 3.100 1.200 1.400 peak 1218 weight 0.10000E+01 volume 0.74756E-03 ppm1 7.494 ppm2 1.530 CV 1 ASSI { 1217} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HG1 )) 3.200 1.200 1.400 peak 1217 weight 0.10000E+01 volume 0.72775E-03 ppm1 7.496 ppm2 1.719 CV 1 ASSI { 1224} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HB1 )) 3.100 1.200 1.400 peak 1224 weight 0.10000E+01 volume 0.87132E-03 ppm1 7.497 ppm2 1.896 CV 1 OR { 1224} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HB2 )) ASSI { 1221} (( segid " " and resid 190 and name HN )) ( segid " " and resid 189 and name HG2%) 2.500 2.500 3.500 peak 1221 weight 0.10000E+01 volume 0.35249E-02 ppm1 8.129 ppm2 0.970 CV 1 ASSI { 1222} (( segid " " and resid 190 and name HN )) ( segid " " and resid 190 and name HG2%) 2.400 0.700 0.900 peak 1222 weight 0.10000E+01 volume 0.45844E-02 ppm1 8.129 ppm2 1.286 CV 1 ASSI { 1226} (( segid " " and resid 190 and name HN )) (( segid " " and resid 189 and name HB )) 2.300 0.700 0.900 peak 1226 weight 0.10000E+01 volume 0.51983E-02 ppm1 8.129 ppm2 2.222 CV 1 ASSI { 1249} (( segid " " and resid 212 and name HN )) (( segid " " and resid 210 and name HN )) 3.600 1.700 1.700 peak 1249 weight 0.10000E+01 volume 0.37873E-03 ppm1 7.155 ppm2 9.130 CV 1 ASSI { 1246} (( segid " " and resid 131 and name HN )) ( segid " " and resid 161 and name HG2%) 3.500 1.600 1.600 peak 1246 weight 0.10000E+01 volume 0.40349E-03 ppm1 9.367 ppm2 0.763 CV 1 ASSI { 1235} (( segid " " and resid 131 and name HN )) ( segid " " and resid 163 and name HD% ) 3.400 1.400 1.600 peak 1235 weight 0.10000E+01 volume 0.56933E-03 ppm1 9.373 ppm2 6.986 CV 1 ASSI { 1261} (( segid " " and resid 212 and name HN )) (( segid " " and resid 212 and name HG2 )) 2.500 0.800 1.000 peak 1261 weight 0.10000E+01 volume 0.31635E-02 ppm1 7.157 ppm2 2.441 CV 1 OR { 1261} (( segid " " and resid 212 and name HN )) (( segid " " and resid 212 and name HG1 )) ASSI { 1259} (( segid " " and resid 136 and name HE )) (( segid " " and resid 154 and name HB1 )) 3.000 1.200 1.400 peak 1259 weight 0.10000E+01 volume 0.92083E-03 ppm1 7.066 ppm2 1.641 CV 1 ASSI { 1244} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HG )) 3.500 1.500 1.700 peak 1244 weight 0.10000E+01 volume 0.46487E-03 ppm1 9.372 ppm2 1.370 CV 1 ASSI { 1252} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HN )) 2.800 1.000 1.200 peak 1252 weight 0.10000E+01 volume 0.17872E-02 ppm1 7.157 ppm2 7.988 CV 1 ASSI { 1236} (( segid " " and resid 131 and name HN )) ( segid " " and resid 163 and name HE% ) 3.100 1.200 1.400 peak 1236 weight 0.10000E+01 volume 0.94558E-03 ppm1 9.371 ppm2 6.444 CV 1 ASSI { 1247} (( segid " " and resid 131 and name HN )) ( segid " " and resid 130 and name HD1%) 3.600 1.600 1.600 peak 1247 weight 0.10000E+01 volume 0.35100E-03 ppm1 9.373 ppm2 0.597 CV 1 ASSI { 1243} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB1 )) 3.500 1.500 1.700 peak 1243 weight 0.10000E+01 volume 0.43912E-03 ppm1 9.374 ppm2 1.579 CV 1 ASSI { 1242} (( segid " " and resid 131 and name HN )) (( segid " " and resid 160 and name HB1 )) 3.800 1.800 1.800 peak 1242 weight 0.10000E+01 volume 0.24655E-03 ppm1 9.378 ppm2 1.985 CV 1 ASSI { 1262} (( segid " " and resid 212 and name HN )) (( segid " " and resid 213 and name HG1 )) 3.200 1.300 1.500 peak 1262 weight 0.10000E+01 volume 0.70795E-03 ppm1 7.157 ppm2 2.842 CV 1 ASSI { 1254} (( segid " " and resid 212 and name HN )) ( segid " " and resid 139 and name HD1%) 3.400 1.500 1.700 peak 1254 weight 0.10000E+01 volume 0.48517E-03 ppm1 7.159 ppm2 0.455 CV 1 ASSI { 1255} (( segid " " and resid 212 and name HN )) ( segid " " and resid 215 and name HD1%) 3.100 1.200 1.400 peak 1255 weight 0.10000E+01 volume 0.84656E-03 ppm1 7.159 ppm2 0.861 CV 1 ASSI { 1268} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HB1 )) 3.300 3.300 2.700 peak 1268 weight 0.10000E+01 volume 0.56933E-03 ppm1 7.577 ppm2 1.666 CV 1 ASSI { 1273} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HD21)) 2.900 1.000 1.200 peak 1273 weight 0.10000E+01 volume 0.15842E-02 ppm1 7.577 ppm2 6.786 CV 1 ASSI { 1279} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HG1 )) 3.300 1.400 1.600 peak 1279 weight 0.10000E+01 volume 0.58419E-03 ppm1 7.577 ppm2 2.540 CV 1 ASSI { 1277} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB2 )) 2.600 0.900 1.100 peak 1277 weight 0.10000E+01 volume 0.24209E-02 ppm1 7.576 ppm2 1.877 CV 1 ASSI { 1287} (( segid " " and resid 228 and name HE )) (( segid " " and resid 228 and name HG2 )) 3.000 1.200 1.400 peak 1287 weight 0.10000E+01 volume 0.92578E-03 ppm1 7.167 ppm2 1.658 CV 1 OR { 1287} (( segid " " and resid 228 and name HE )) (( segid " " and resid 228 and name HG1 )) ASSI { 1280} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HA )) 3.200 3.200 2.800 peak 1280 weight 0.10000E+01 volume 0.69310E-03 ppm1 7.578 ppm2 3.423 CV 1 ASSI { 1286} (( segid " " and resid 228 and name HE )) (( segid " " and resid 228 and name HB1 )) 3.200 1.300 1.500 peak 1286 weight 0.10000E+01 volume 0.72280E-03 ppm1 7.164 ppm2 1.835 CV 1 OR { 1286} (( segid " " and resid 228 and name HE )) (( segid " " and resid 228 and name HB2 )) ASSI { 1278} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 2.400 0.700 0.900 peak 1278 weight 0.10000E+01 volume 0.44903E-02 ppm1 7.575 ppm2 2.148 CV 1 ASSI { 1285} (( segid " " and resid 228 and name HE )) (( segid " " and resid 228 and name HD1 )) 2.600 0.900 1.100 peak 1285 weight 0.10000E+01 volume 0.21387E-02 ppm1 7.176 ppm2 3.143 CV 1 OR { 1285} (( segid " " and resid 228 and name HE )) (( segid " " and resid 228 and name HD2 )) ASSI { 1297} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HB2 )) 3.100 3.100 2.900 peak 1297 weight 0.10000E+01 volume 0.94063E-03 ppm1 7.573 ppm2 1.345 CV 1 ASSI { 1305} (( segid " " and resid 191 and name HN )) (( segid " " and resid 189 and name HA )) 3.300 3.300 2.700 peak 1305 weight 0.10000E+01 volume 0.64359E-03 ppm1 8.022 ppm2 3.949 CV 1 ASSI { 1295} (( segid " " and resid 191 and name HN )) (( segid " " and resid 193 and name HN )) 2.900 1.100 1.300 peak 1295 weight 0.10000E+01 volume 0.14208E-02 ppm1 8.017 ppm2 7.882 CV 1 ASSI { 1306} (( segid " " and resid 191 and name HN )) (( segid " " and resid 189 and name HB )) 3.600 1.700 1.700 peak 1306 weight 0.10000E+01 volume 0.34308E-03 ppm1 8.012 ppm2 2.220 CV 1 ASSI { 1304} (( segid " " and resid 191 and name HN )) (( segid " " and resid 191 and name HB )) 2.100 0.500 0.700 peak 1304 weight 0.10000E+01 volume 0.95549E-02 ppm1 8.017 ppm2 4.117 CV 1 OR { 1304} (( segid " " and resid 191 and name HN )) (( segid " " and resid 191 and name HA )) ASSI { 1291} (( segid " " and resid 191 and name HN )) (( segid " " and resid 190 and name HN )) 2.300 0.700 0.900 peak 1291 weight 0.10000E+01 volume 0.53962E-02 ppm1 8.019 ppm2 8.169 CV 1 ASSI { 1300} (( segid " " and resid 228 and name HE )) (( segid " " and resid 228 and name HG2 )) 3.100 1.200 1.400 peak 1300 weight 0.10000E+01 volume 0.81191E-03 ppm1 7.200 ppm2 1.631 CV 1 ASSI { 1309} (( segid " " and resid 191 and name HN )) ( segid " " and resid 191 and name HG2%) 2.300 2.300 3.700 peak 1309 weight 0.10000E+01 volume 0.52972E-02 ppm1 8.018 ppm2 0.950 CV 1 ASSI { 1308} (( segid " " and resid 191 and name HN )) ( segid " " and resid 190 and name HG2%) 2.600 2.600 3.400 peak 1308 weight 0.10000E+01 volume 0.27724E-02 ppm1 8.019 ppm2 1.287 CV 1 ASSI { 1917} (( segid " " and resid 191 and name HN )) (( segid " " and resid 190 and name HB )) 2.400 2.400 3.600 peak 1917 weight 0.10000E+01 volume 0.39308E-02 ppm1 8.018 ppm2 4.260 CV 1 ASSI { 1293} (( segid " " and resid 191 and name HN )) (( segid " " and resid 194 and name HN )) 3.600 1.600 1.600 peak 1293 weight 0.10000E+01 volume 0.38268E-03 ppm1 8.018 ppm2 7.640 CV 1 ASSI { 1294} (( segid " " and resid 191 and name HN )) ( segid " " and resid 198 and name HD% ) 3.700 1.700 1.700 peak 1294 weight 0.10000E+01 volume 0.34952E-03 ppm1 8.017 ppm2 7.330 CV 1 ASSI { 1289} (( segid " " and resid 151 and name HE )) (( segid " " and resid 139 and name HN )) 3.000 3.000 3.000 peak 1289 weight 0.10000E+01 volume 0.10396E-02 ppm1 7.531 ppm2 6.464 CV 1 ASSI { 1298} (( segid " " and resid 156 and name HE )) (( segid " " and resid 156 and name HG1 )) 2.800 1.000 1.200 peak 1298 weight 0.10000E+01 volume 0.13961E-02 ppm1 7.532 ppm2 1.360 CV 1 OR { 1298} (( segid " " and resid 156 and name HE )) (( segid " " and resid 156 and name HB2 )) ASSI { 1296} (( segid " " and resid 156 and name HE )) (( segid " " and resid 156 and name HG2 )) 3.300 1.400 1.600 peak 1296 weight 0.10000E+01 volume 0.52478E-03 ppm1 7.537 ppm2 0.259 CV 1 ASSI { 1299} (( segid " " and resid 156 and name HE )) (( segid " " and resid 156 and name HD2 )) 3.200 1.200 1.400 peak 1299 weight 0.10000E+01 volume 0.72775E-03 ppm1 7.530 ppm2 3.066 CV 1 ASSI { 1340} (( segid " " and resid 220 and name HE )) (( segid " " and resid 220 and name HD2 )) 3.100 1.200 1.400 peak 1340 weight 0.10000E+01 volume 0.84161E-03 ppm1 7.248 ppm2 2.932 CV 1 ASSI { 1354} (( segid " " and resid 151 and name HE )) (( segid " " and resid 151 and name HD2 )) 2.700 0.900 1.100 peak 1354 weight 0.10000E+01 volume 0.18169E-02 ppm1 7.499 ppm2 3.283 CV 1 ASSI { 1353} (( segid " " and resid 151 and name HE )) (( segid " " and resid 151 and name HG1 )) 3.300 1.300 1.500 peak 1353 weight 0.10000E+01 volume 0.60398E-03 ppm1 7.495 ppm2 2.025 CV 1 ASSI { 1333} (( segid " " and resid 220 and name HE )) (( segid " " and resid 220 and name HG2 )) 2.900 1.000 1.200 peak 1333 weight 0.10000E+01 volume 0.12278E-02 ppm1 7.251 ppm2 1.625 CV 1 ASSI { 1316} (( segid " " and resid 188 and name HN )) (( segid " " and resid 189 and name HB )) 3.600 1.600 1.600 peak 1316 weight 0.10000E+01 volume 0.38913E-03 ppm1 8.357 ppm2 2.225 CV 1 ASSI { 1341} (( segid " " and resid 220 and name HE )) (( segid " " and resid 220 and name HD1 )) 3.000 1.100 1.300 peak 1341 weight 0.10000E+01 volume 0.10298E-02 ppm1 7.250 ppm2 3.077 CV 1 ASSI { 1314} (( segid " " and resid 188 and name HN )) (( segid " " and resid 187 and name HB1 )) 3.000 1.100 1.300 peak 1314 weight 0.10000E+01 volume 0.11734E-02 ppm1 8.355 ppm2 3.333 CV 1 ASSI { 1321} (( segid " " and resid 188 and name HN )) ( segid " " and resid 189 and name HG1%) 3.400 3.400 2.600 peak 1321 weight 0.10000E+01 volume 0.55943E-03 ppm1 8.355 ppm2 1.042 CV 1 ASSI { 1352} (( segid " " and resid 151 and name HE )) (( segid " " and resid 151 and name HG2 )) 3.600 1.600 1.600 peak 1352 weight 0.10000E+01 volume 0.34259E-03 ppm1 7.496 ppm2 1.727 CV 1 ASSI { 1322} (( segid " " and resid 188 and name HN )) ( segid " " and resid 188 and name HG2%) 2.700 0.900 1.100 peak 1322 weight 0.10000E+01 volume 0.20941E-02 ppm1 8.354 ppm2 1.257 CV 1 ASSI { 1323} (( segid " " and resid 188 and name HN )) ( segid " " and resid 183 and name HG2%) 3.900 1.900 1.900 peak 1323 weight 0.10000E+01 volume 0.21635E-03 ppm1 8.357 ppm2 1.449 CV 1 ASSI { 1315} (( segid " " and resid 188 and name HN )) (( segid " " and resid 187 and name HB2 )) 2.900 1.000 1.200 peak 1315 weight 0.10000E+01 volume 0.14159E-02 ppm1 8.355 ppm2 3.156 CV 1 ASSI { 1320} (( segid " " and resid 188 and name HN )) ( segid " " and resid 184 and name HG2%) 3.600 1.600 1.600 peak 1320 weight 0.10000E+01 volume 0.39854E-03 ppm1 8.358 ppm2 0.918 CV 1 ASSI { 1338} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HG1 )) 2.900 1.000 1.200 peak 1338 weight 0.10000E+01 volume 0.14605E-02 ppm1 7.305 ppm2 2.166 CV 1 ASSI { 1343} (( segid " " and resid 160 and name HN )) (( segid " " and resid 158 and name HA )) 2.500 2.500 3.500 peak 1343 weight 0.10000E+01 volume 0.35200E-02 ppm1 7.307 ppm2 4.341 CV 1 ASSI { 1334} (( segid " " and resid 160 and name HN )) ( segid " " and resid 183 and name HG2%) 3.200 3.200 2.800 peak 1334 weight 0.10000E+01 volume 0.70795E-03 ppm1 7.308 ppm2 1.464 CV 1 ASSI { 1344} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 2.500 0.800 1.000 peak 1344 weight 0.10000E+01 volume 0.30001E-02 ppm1 7.305 ppm2 4.513 CV 1 ASSI { 1329} (( segid " " and resid 160 and name HN )) ( segid " " and resid 130 and name HD2%) 3.700 1.700 1.700 peak 1329 weight 0.10000E+01 volume 0.30150E-03 ppm1 7.304 ppm2 -0.003 CV 1 ASSI { 1330} (( segid " " and resid 160 and name HN )) ( segid " " and resid 161 and name HG1%) 3.300 1.400 1.600 peak 1330 weight 0.10000E+01 volume 0.62874E-03 ppm1 7.306 ppm2 0.930 CV 1 ASSI { 1910} (( segid " " and resid 188 and name HN )) (( segid " " and resid 187 and name HA )) 3.000 1.100 1.300 peak 1910 weight 0.10000E+01 volume 0.11337E-02 ppm1 8.365 ppm2 4.576 CV 1 ASSI { 1365} (( segid " " and resid 132 and name HN )) (( segid " " and resid 160 and name HB1 )) 3.600 1.600 1.600 peak 1365 weight 0.10000E+01 volume 0.36833E-03 ppm1 8.377 ppm2 1.975 CV 1 ASSI { 1911} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB1 )) 2.200 0.600 0.800 peak 1911 weight 0.10000E+01 volume 0.76736E-02 ppm1 8.380 ppm2 3.964 CV 1 ASSI { 1360} (( segid " " and resid 132 and name HN )) ( segid " " and resid 163 and name HE% ) 2.900 2.900 3.100 peak 1360 weight 0.10000E+01 volume 0.13763E-02 ppm1 8.381 ppm2 6.446 CV 1 ASSI { 1367} (( segid " " and resid 132 and name HN )) ( segid " " and resid 161 and name HG2%) 3.800 3.800 2.200 peak 1367 weight 0.10000E+01 volume 0.24753E-03 ppm1 8.378 ppm2 0.755 CV 1 ASSI { 1387} (( segid " " and resid 208 and name HE )) ( segid " " and resid 139 and name HG2%) 3.400 1.500 1.700 peak 1387 weight 0.10000E+01 volume 0.45942E-03 ppm1 7.288 ppm2 -0.059 CV 1 ASSI { 1386} (( segid " " and resid 208 and name HE )) (( segid " " and resid 208 and name HG2 )) 3.000 1.100 1.300 peak 1386 weight 0.10000E+01 volume 0.10298E-02 ppm1 7.285 ppm2 1.769 CV 1 ASSI { 1385} (( segid " " and resid 208 and name HE )) (( segid " " and resid 208 and name HD1 )) 2.700 0.900 1.100 peak 1385 weight 0.10000E+01 volume 0.18714E-02 ppm1 7.286 ppm2 3.244 CV 1 ASSI { 1398} (( segid " " and resid 208 and name HE )) ( segid " " and resid 139 and name HD1%) 3.800 3.800 2.200 peak 1398 weight 0.10000E+01 volume 0.24753E-03 ppm1 7.294 ppm2 0.445 CV 1 ASSI { 1399} (( segid " " and resid 208 and name HE )) (( segid " " and resid 208 and name HA )) 3.400 1.500 1.700 peak 1399 weight 0.10000E+01 volume 0.45002E-03 ppm1 7.287 ppm2 4.233 CV 1 ASSI { 1403} (( segid " " and resid 171 and name HD22)) (( segid " " and resid 171 and name HA )) 3.500 1.600 1.600 peak 1403 weight 0.10000E+01 volume 0.40398E-03 ppm1 6.718 ppm2 4.771 CV 1 ASSI { 1389} (( segid " " and resid 171 and name HD22)) (( segid " " and resid 171 and name HD21)) 2.100 2.100 3.900 peak 1389 weight 0.10000E+01 volume 0.10347E-01 ppm1 6.722 ppm2 7.559 CV 1 ASSI { 1404} (( segid " " and resid 171 and name HD22)) (( segid " " and resid 171 and name HB2 )) 2.800 1.000 1.200 peak 1404 weight 0.10000E+01 volume 0.16337E-02 ppm1 6.723 ppm2 3.078 CV 1 ASSI { 1408} (( segid " " and resid 197 and name HD21)) ( segid " " and resid 192 and name HG2%) 3.900 1.900 1.900 peak 1408 weight 0.10000E+01 volume 0.23219E-03 ppm1 6.794 ppm2 1.295 CV 1 ASSI { 1390} (( segid " " and resid 171 and name HD22)) (( segid " " and resid 174 and name HD22)) 3.600 1.600 1.600 peak 1390 weight 0.10000E+01 volume 0.40942E-03 ppm1 6.723 ppm2 7.128 CV 1 ASSI { 1394} (( segid " " and resid 171 and name HD21)) (( segid " " and resid 171 and name HB2 )) 2.800 1.000 1.200 peak 1394 weight 0.10000E+01 volume 0.15842E-02 ppm1 7.561 ppm2 3.080 CV 1 ASSI { 1406} (( segid " " and resid 217 and name HE22)) (( segid " " and resid 134 and name HG2 )) 2.700 2.700 3.300 peak 1406 weight 0.10000E+01 volume 0.21981E-02 ppm1 6.888 ppm2 2.442 CV 1 ASSI { 1407} (( segid " " and resid 197 and name HD21)) ( segid " " and resid 199 and name HG2%) 3.400 1.400 1.600 peak 1407 weight 0.10000E+01 volume 0.55943E-03 ppm1 6.794 ppm2 1.438 CV 1 ASSI { 1410} (( segid " " and resid 197 and name HD21)) (( segid " " and resid 197 and name HD22)) 1.600 0.300 0.800 peak 1410 weight 0.10000E+01 volume 0.47081E-01 ppm1 6.792 ppm2 7.544 CV 1 ASSI { 1418} (( segid " " and resid 217 and name HE21)) ( segid " " and resid 134 and name HE% ) 3.000 1.200 1.400 peak 1418 weight 0.10000E+01 volume 0.10199E-02 ppm1 7.562 ppm2 2.139 CV 1 ASSI { 1417} (( segid " " and resid 197 and name HD21)) (( segid " " and resid 197 and name HB1 )) 2.900 1.000 1.200 peak 1417 weight 0.10000E+01 volume 0.13813E-02 ppm1 6.793 ppm2 2.615 CV 1 OR { 1417} (( segid " " and resid 197 and name HD21)) (( segid " " and resid 197 and name HB2 )) ASSI { 1416} (( segid " " and resid 217 and name HE22)) (( segid " " and resid 213 and name HB1 )) 3.400 1.400 1.600 peak 1416 weight 0.10000E+01 volume 0.53962E-03 ppm1 6.890 ppm2 2.120 CV 1 ASSI { 1420} (( segid " " and resid 217 and name HE21)) (( segid " " and resid 134 and name HG2 )) 2.400 2.400 3.600 peak 1420 weight 0.10000E+01 volume 0.42180E-02 ppm1 7.561 ppm2 2.440 CV 1 ASSI { 1411} (( segid " " and resid 197 and name HD21)) (( segid " " and resid 197 and name HA )) 3.500 1.500 1.700 peak 1411 weight 0.10000E+01 volume 0.42031E-03 ppm1 6.791 ppm2 4.639 CV 1 ASSI { 1412} (( segid " " and resid 171 and name HD21)) (( segid " " and resid 171 and name HA )) 3.300 1.400 1.600 peak 1412 weight 0.10000E+01 volume 0.59408E-03 ppm1 7.555 ppm2 4.776 CV 1 ASSI { 1413} (( segid " " and resid 197 and name HD22)) (( segid " " and resid 197 and name HA )) 3.600 1.600 1.600 peak 1413 weight 0.10000E+01 volume 0.35892E-03 ppm1 7.545 ppm2 4.634 CV 1 ASSI { 1429} (( segid " " and resid 161 and name HN )) (( segid " " and resid 131 and name HA1 )) 3.400 1.500 1.700 peak 1429 weight 0.10000E+01 volume 0.50002E-03 ppm1 8.509 ppm2 3.990 CV 1 ASSI { 1444} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB )) 3.200 1.300 1.500 peak 1444 weight 0.10000E+01 volume 0.69805E-03 ppm1 8.508 ppm2 2.608 CV 1 ASSI { 1446} (( segid " " and resid 173 and name HD22)) (( segid " " and resid 173 and name HB2 )) 3.000 1.100 1.300 peak 1446 weight 0.10000E+01 volume 0.11585E-02 ppm1 6.952 ppm2 2.711 CV 1 ASSI { 1432} (( segid " " and resid 227 and name HE22)) (( segid " " and resid 224 and name HA )) 3.600 1.600 1.600 peak 1432 weight 0.10000E+01 volume 0.39259E-03 ppm1 7.586 ppm2 4.220 CV 1 ASSI { 1441} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB2 )) 2.900 1.100 1.300 peak 1441 weight 0.10000E+01 volume 0.12971E-02 ppm1 8.507 ppm2 1.695 CV 1 ASSI { 1433} (( segid " " and resid 227 and name HE22)) (( segid " " and resid 227 and name HE21)) 1.600 0.300 0.800 peak 1433 weight 0.10000E+01 volume 0.52972E-01 ppm1 7.555 ppm2 6.835 CV 1 ASSI { 1442} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB1 )) 2.800 1.000 1.200 peak 1442 weight 0.10000E+01 volume 0.15348E-02 ppm1 8.506 ppm2 1.984 CV 1 ASSI { 1440} (( segid " " and resid 161 and name HN )) ( segid " " and resid 183 and name HG2%) 3.600 1.600 1.600 peak 1440 weight 0.10000E+01 volume 0.37476E-03 ppm1 8.507 ppm2 1.478 CV 1 ASSI { 1435} (( segid " " and resid 173 and name HD21)) (( segid " " and resid 174 and name HN )) 3.600 1.700 1.700 peak 1435 weight 0.10000E+01 volume 0.37328E-03 ppm1 7.581 ppm2 8.631 CV 1 ASSI { 1454} (( segid " " and resid 173 and name HD22)) (( segid " " and resid 173 and name HD21)) 1.700 0.300 0.700 peak 1454 weight 0.10000E+01 volume 0.40200E-01 ppm1 6.952 ppm2 7.587 CV 1 ASSI { 1451} (( segid " " and resid 173 and name HD21)) (( segid " " and resid 173 and name HN )) 3.500 1.500 1.700 peak 1451 weight 0.10000E+01 volume 0.49408E-03 ppm1 7.591 ppm2 8.362 CV 1 ASSI { 1463} (( segid " " and resid 173 and name HD21)) (( segid " " and resid 173 and name HB1 )) 2.600 2.600 3.400 peak 1463 weight 0.10000E+01 volume 0.27080E-02 ppm1 7.593 ppm2 2.746 CV 1 ASSI { 1464} (( segid " " and resid 160 and name HE22)) (( segid " " and resid 160 and name HG1 )) 3.000 1.100 1.300 peak 1464 weight 0.10000E+01 volume 0.11139E-02 ppm1 6.976 ppm2 2.156 CV 1 ASSI { 1465} (( segid " " and resid 160 and name HE22)) (( segid " " and resid 160 and name HB1 )) 2.900 1.000 1.200 peak 1465 weight 0.10000E+01 volume 0.13763E-02 ppm1 6.976 ppm2 2.001 CV 1 OR { 1465} (( segid " " and resid 160 and name HE22)) (( segid " " and resid 160 and name HG2 )) ASSI { 1466} (( segid " " and resid 160 and name HE22)) (( segid " " and resid 160 and name HB2 )) 3.200 1.300 1.500 peak 1466 weight 0.10000E+01 volume 0.70300E-03 ppm1 6.976 ppm2 1.687 CV 1 ASSI { 1453} (( segid " " and resid 160 and name HE22)) (( segid " " and resid 160 and name HE21)) 2.100 0.500 0.700 peak 1453 weight 0.10000E+01 volume 0.11535E-01 ppm1 6.975 ppm2 7.915 CV 1 ASSI { 1460} (( segid " " and resid 160 and name HE21)) (( segid " " and resid 160 and name HB2 )) 3.300 1.300 1.500 peak 1460 weight 0.10000E+01 volume 0.66834E-03 ppm1 7.915 ppm2 1.696 CV 1 ASSI { 1459} (( segid " " and resid 160 and name HE21)) (( segid " " and resid 130 and name HG )) 3.100 3.100 2.900 peak 1459 weight 0.10000E+01 volume 0.94063E-03 ppm1 7.916 ppm2 1.368 CV 1 ASSI { 1461} (( segid " " and resid 160 and name HE21)) (( segid " " and resid 160 and name HB1 )) 2.900 1.100 1.300 peak 1461 weight 0.10000E+01 volume 0.13416E-02 ppm1 7.915 ppm2 2.002 CV 1 OR { 1461} (( segid " " and resid 160 and name HE21)) (( segid " " and resid 160 and name HG2 )) ASSI { 1467} (( segid " " and resid 160 and name HE22)) (( segid " " and resid 130 and name HG )) 2.900 2.900 3.100 peak 1467 weight 0.10000E+01 volume 0.12426E-02 ppm1 6.976 ppm2 1.365 CV 1 ASSI { 1468} (( segid " " and resid 160 and name HE22)) ( segid " " and resid 130 and name HD1%) 2.800 1.000 1.200 peak 1468 weight 0.10000E+01 volume 0.16832E-02 ppm1 6.976 ppm2 0.603 CV 1 ASSI { 1447} (( segid " " and resid 160 and name HE21)) (( segid " " and resid 132 and name HA )) 3.000 3.000 3.000 peak 1447 weight 0.10000E+01 volume 0.10298E-02 ppm1 7.918 ppm2 4.406 CV 1 ASSI { 1462} (( segid " " and resid 160 and name HE21)) (( segid " " and resid 160 and name HG1 )) 3.100 1.200 1.400 peak 1462 weight 0.10000E+01 volume 0.96539E-03 ppm1 7.917 ppm2 2.159 CV 1 ASSI { 1479} (( segid " " and resid 181 and name HD22)) ( segid " " and resid 182 and name HD1%) 3.800 1.800 1.800 peak 1479 weight 0.10000E+01 volume 0.26190E-03 ppm1 6.772 ppm2 0.422 CV 1 ASSI { 1504} (( segid " " and resid 174 and name HD21)) (( segid " " and resid 166 and name HG2 )) 3.600 3.600 2.400 peak 1504 weight 0.10000E+01 volume 0.34754E-03 ppm1 7.687 ppm2 3.229 CV 1 ASSI { 1483} (( segid " " and resid 174 and name HD21)) (( segid " " and resid 174 and name HD22)) 2.000 0.500 0.700 peak 1483 weight 0.10000E+01 volume 0.15000E-01 ppm1 7.685 ppm2 7.122 CV 1 ASSI { 1508} (( segid " " and resid 174 and name HD22)) (( segid " " and resid 174 and name HB1 )) 3.000 1.200 1.400 peak 1508 weight 0.10000E+01 volume 0.10000E-02 ppm1 7.123 ppm2 3.041 CV 1 ASSI { 1507} (( segid " " and resid 174 and name HD22)) (( segid " " and resid 174 and name HB2 )) 3.100 1.200 1.400 peak 1507 weight 0.10000E+01 volume 0.98024E-03 ppm1 7.123 ppm2 2.923 CV 1 ASSI { 1495} (( segid " " and resid 174 and name HD22)) (( segid " " and resid 174 and name HA )) 3.200 3.200 2.800 peak 1495 weight 0.10000E+01 volume 0.73270E-03 ppm1 7.122 ppm2 4.576 CV 1 ASSI { 1490} (( segid " " and resid 181 and name HD21)) (( segid " " and resid 178 and name HA )) 3.100 1.200 1.400 peak 1490 weight 0.10000E+01 volume 0.85647E-03 ppm1 7.687 ppm2 4.571 CV 1 ASSI { 1502} (( segid " " and resid 174 and name HD21)) (( segid " " and resid 174 and name HB2 )) 2.800 1.000 1.200 peak 1502 weight 0.10000E+01 volume 0.15050E-02 ppm1 7.684 ppm2 2.913 CV 1 ASSI { 1503} (( segid " " and resid 174 and name HD21)) (( segid " " and resid 174 and name HB1 )) 2.900 1.000 1.200 peak 1503 weight 0.10000E+01 volume 0.14456E-02 ppm1 7.686 ppm2 3.044 CV 1 ASSI { 1496} (( segid " " and resid 174 and name HD22)) (( segid " " and resid 171 and name HA )) 3.500 3.500 2.500 peak 1496 weight 0.10000E+01 volume 0.46784E-03 ppm1 7.123 ppm2 4.781 CV 1 ASSI { 1498} (( segid " " and resid 181 and name HD22)) (( segid " " and resid 178 and name HA )) 3.400 1.400 1.600 peak 1498 weight 0.10000E+01 volume 0.55448E-03 ppm1 6.772 ppm2 4.530 CV 1 ASSI { 1497} (( segid " " and resid 181 and name HD22)) (( segid " " and resid 179 and name HA )) 3.700 3.700 2.300 peak 1497 weight 0.10000E+01 volume 0.31932E-03 ppm1 6.771 ppm2 4.775 CV 1 ASSI { 1510} (( segid " " and resid 181 and name HD22)) (( segid " " and resid 181 and name HB2 )) 3.100 1.000 1.200 peak 1510 weight 0.10000E+01 volume 0.14605E-02 ppm1 6.772 ppm2 2.835 CV 1 ASSI { 1499} (( segid " " and resid 181 and name HD21)) ( segid " " and resid 182 and name HD1%) 3.500 1.500 1.700 peak 1499 weight 0.10000E+01 volume 0.43417E-03 ppm1 7.657 ppm2 0.423 CV 1 ASSI { 1500} (( segid " " and resid 181 and name HD21)) (( segid " " and resid 182 and name HG12)) 3.800 1.800 1.800 peak 1500 weight 0.10000E+01 volume 0.25842E-03 ppm1 7.656 ppm2 0.887 CV 1 ASSI { 1509} (( segid " " and resid 181 and name HD22)) (( segid " " and resid 181 and name HA )) 3.600 1.600 1.600 peak 1509 weight 0.10000E+01 volume 0.35595E-03 ppm1 6.771 ppm2 4.314 CV 1 ASSI { 1501} (( segid " " and resid 181 and name HD21)) (( segid " " and resid 181 and name HB2 )) 2.700 0.900 1.100 peak 1501 weight 0.10000E+01 volume 0.20843E-02 ppm1 7.657 ppm2 2.832 CV 1 ASSI { 1512} (( segid " " and resid 181 and name HD22)) (( segid " " and resid 182 and name HG12)) 3.600 1.600 1.600 peak 1512 weight 0.10000E+01 volume 0.36536E-03 ppm1 6.771 ppm2 0.922 CV 1 ASSI { 1482} (( segid " " and resid 181 and name HD21)) (( segid " " and resid 181 and name HD22)) 1.800 0.400 0.600 peak 1482 weight 0.10000E+01 volume 0.29655E-01 ppm1 7.657 ppm2 6.773 CV 1 ASSI { 1505} (( segid " " and resid 181 and name HD21)) (( segid " " and resid 181 and name HA )) 3.500 1.500 1.700 peak 1505 weight 0.10000E+01 volume 0.44556E-03 ppm1 7.658 ppm2 4.323 CV 1 ASSI { 1525} (( segid " " and resid 223 and name HE21)) (( segid " " and resid 223 and name HG2 )) 2.600 0.900 1.100 peak 1525 weight 0.10000E+01 volume 0.23368E-02 ppm1 7.477 ppm2 2.381 CV 1 ASSI { 1528} (( segid " " and resid 223 and name HE21)) ( segid " " and resid 224 and name HB% ) 3.900 1.900 1.900 peak 1528 weight 0.10000E+01 volume 0.23268E-03 ppm1 7.477 ppm2 1.405 CV 1 ASSI { 1535} (( segid " " and resid 223 and name HE22)) (( segid " " and resid 223 and name HG2 )) 3.000 1.100 1.300 peak 1535 weight 0.10000E+01 volume 0.11188E-02 ppm1 6.826 ppm2 2.384 CV 1 ASSI { 1536} (( segid " " and resid 223 and name HE22)) (( segid " " and resid 223 and name HB1 )) 3.700 1.700 1.700 peak 1536 weight 0.10000E+01 volume 0.32378E-03 ppm1 6.826 ppm2 2.089 CV 1 OR { 1536} (( segid " " and resid 223 and name HE22)) (( segid " " and resid 223 and name HB2 )) ASSI { 1527} (( segid " " and resid 223 and name HE21)) (( segid " " and resid 223 and name HB1 )) 3.100 1.200 1.400 peak 1527 weight 0.10000E+01 volume 0.83172E-03 ppm1 7.483 ppm2 2.089 CV 1 OR { 1527} (( segid " " and resid 223 and name HE21)) (( segid " " and resid 223 and name HB2 )) ASSI { 1523} (( segid " " and resid 223 and name HE21)) (( segid " " and resid 224 and name HA )) 3.700 3.700 2.300 peak 1523 weight 0.10000E+01 volume 0.33070E-03 ppm1 7.477 ppm2 4.193 CV 1 ASSI { 1534} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA2 )) 2.600 2.600 3.400 peak 1534 weight 0.10000E+01 volume 0.24209E-02 ppm1 7.319 ppm2 3.813 CV 1 ASSI { 1524} (( segid " " and resid 181 and name HD21)) ( segid " " and resid 182 and name HG2%) 3.700 1.700 1.700 peak 1524 weight 0.10000E+01 volume 0.30694E-03 ppm1 7.662 ppm2 0.283 CV 1 ASSI { 1526} (( segid " " and resid 223 and name HE21)) (( segid " " and resid 223 and name HG1 )) 2.900 1.000 1.200 peak 1526 weight 0.10000E+01 volume 0.14555E-02 ppm1 7.488 ppm2 2.502 CV 1 ASSI { 1530} (( segid " " and resid 143 and name HN )) (( segid " " and resid 146 and name HB1 )) 2.800 2.800 3.200 peak 1530 weight 0.10000E+01 volume 0.16932E-02 ppm1 7.318 ppm2 1.950 CV 1 ASSI { 1520} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HA )) 3.400 3.400 2.600 peak 1520 weight 0.10000E+01 volume 0.49358E-03 ppm1 7.320 ppm2 4.515 CV 1 ASSI { 1531} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HB2 )) 2.700 2.700 3.300 peak 1531 weight 0.10000E+01 volume 0.21536E-02 ppm1 7.319 ppm2 2.800 CV 1 ASSI { 1533} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HB1 )) 2.700 2.700 3.300 peak 1533 weight 0.10000E+01 volume 0.18862E-02 ppm1 7.319 ppm2 3.329 CV 1 ASSI { 1515} (( segid " " and resid 143 and name HN )) (( segid " " and resid 147 and name HN )) 3.100 1.200 1.400 peak 1515 weight 0.10000E+01 volume 0.10050E-02 ppm1 7.319 ppm2 8.225 CV 1 ASSI { 1529} (( segid " " and resid 143 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.100 1.200 1.400 peak 1529 weight 0.10000E+01 volume 0.99014E-03 ppm1 7.319 ppm2 1.540 CV 1 ASSI { 1519} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.400 0.700 0.900 peak 1519 weight 0.10000E+01 volume 0.40051E-02 ppm1 7.322 ppm2 4.795 CV 1 ASSI { 1521} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA1 )) 2.500 0.800 1.000 peak 1521 weight 0.10000E+01 volume 0.36586E-02 ppm1 7.319 ppm2 4.156 CV 1 ASSI { 1538} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HN )) 3.000 3.000 3.000 peak 1538 weight 0.10000E+01 volume 0.12080E-02 ppm1 7.319 ppm2 10.298 CV 1 ASSI { 1542} (( segid " " and resid 143 and name HN )) (( segid " " and resid 146 and name HA )) 3.600 1.600 1.600 peak 1542 weight 0.10000E+01 volume 0.37130E-03 ppm1 7.321 ppm2 3.591 CV 1 ASSI { 1539} (( segid " " and resid 143 and name HN )) (( segid " " and resid 145 and name HN )) 3.500 1.500 1.700 peak 1539 weight 0.10000E+01 volume 0.51488E-03 ppm1 7.318 ppm2 8.565 CV 1 ASSI { 1548} (( segid " " and resid 163 and name HN )) ( segid " " and resid 163 and name HE% ) 3.700 1.700 1.700 peak 1548 weight 0.10000E+01 volume 0.35595E-03 ppm1 8.596 ppm2 6.446 CV 1 ASSI { 1554} (( segid " " and resid 163 and name HN )) (( segid " " and resid 129 and name HG2 )) 3.800 1.800 1.800 peak 1554 weight 0.10000E+01 volume 0.28071E-03 ppm1 8.594 ppm2 2.224 CV 1 OR { 1554} (( segid " " and resid 163 and name HN )) (( segid " " and resid 129 and name HG1 )) ASSI { 1556} (( segid " " and resid 163 and name HN )) (( segid " " and resid 129 and name HB1 )) 3.700 1.700 1.700 peak 1556 weight 0.10000E+01 volume 0.32922E-03 ppm1 8.591 ppm2 1.577 CV 1 ASSI { 1544} (( segid " " and resid 163 and name HN )) (( segid " " and resid 130 and name HN )) 3.600 1.600 1.600 peak 1544 weight 0.10000E+01 volume 0.39506E-03 ppm1 8.593 ppm2 8.059 CV 1 ASSI { 1557} (( segid " " and resid 163 and name HN )) (( segid " " and resid 129 and name HB2 )) 3.400 1.400 1.600 peak 1557 weight 0.10000E+01 volume 0.51983E-03 ppm1 8.592 ppm2 0.895 CV 1 ASSI { 1552} (( segid " " and resid 163 and name HN )) (( segid " " and resid 128 and name HB1 )) 3.100 1.200 1.400 peak 1552 weight 0.10000E+01 volume 0.87132E-03 ppm1 8.590 ppm2 2.842 CV 1 ASSI { 1546} (( segid " " and resid 163 and name HN )) ( segid " " and resid 128 and name HD% ) 3.100 1.200 1.400 peak 1546 weight 0.10000E+01 volume 0.91092E-03 ppm1 8.590 ppm2 6.846 CV 1 ASSI { 1871} (( segid " " and resid 163 and name HN )) (( segid " " and resid 130 and name HA )) 2.900 1.000 1.200 peak 1871 weight 0.10000E+01 volume 0.14208E-02 ppm1 8.591 ppm2 4.503 CV 1 ASSI { 1553} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB1 )) 2.800 1.000 1.200 peak 1553 weight 0.10000E+01 volume 0.17674E-02 ppm1 8.589 ppm2 2.568 CV 1 OR { 1553} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB2 )) ASSI { 1558} (( segid " " and resid 163 and name HN )) ( segid " " and resid 182 and name HG2%) 3.900 1.900 1.900 peak 1558 weight 0.10000E+01 volume 0.22773E-03 ppm1 8.593 ppm2 0.287 CV 1 ASSI { 1566} (( segid " " and resid 172 and name HE21)) (( segid " " and resid 215 and name HG11)) 3.700 1.700 1.700 peak 1566 weight 0.10000E+01 volume 0.31288E-03 ppm1 6.946 ppm2 2.005 CV 1 OR { 1566} (( segid " " and resid 172 and name HE22)) (( segid " " and resid 215 and name HG11)) ASSI { 1563} (( segid " " and resid 172 and name HE22)) ( segid " " and resid 218 and name HE% ) 3.600 1.600 1.600 peak 1563 weight 0.10000E+01 volume 0.40595E-03 ppm1 6.952 ppm2 6.567 CV 1 OR { 1563} (( segid " " and resid 172 and name HE21)) ( segid " " and resid 218 and name HE% ) ASSI { 1562} (( segid " " and resid 172 and name HE21)) ( segid " " and resid 218 and name HD% ) 3.800 1.800 1.800 peak 1562 weight 0.10000E+01 volume 0.28466E-03 ppm1 6.954 ppm2 6.220 CV 1 OR { 1562} (( segid " " and resid 172 and name HE22)) ( segid " " and resid 218 and name HD% ) ASSI { 1561} (( segid " " and resid 172 and name HE21)) ( segid " " and resid 176 and name HG1%) 3.200 1.300 1.500 peak 1561 weight 0.10000E+01 volume 0.77726E-03 ppm1 6.950 ppm2 1.096 CV 1 OR { 1561} (( segid " " and resid 172 and name HE22)) ( segid " " and resid 176 and name HG1%) ASSI { 1560} (( segid " " and resid 172 and name HE21)) (( segid " " and resid 215 and name HG12)) 2.700 0.900 1.100 peak 1560 weight 0.10000E+01 volume 0.22228E-02 ppm1 6.950 ppm2 0.863 CV 1 OR { 1560} (( segid " " and resid 172 and name HE22)) (( segid " " and resid 215 and name HG12)) OR { 1560} (( segid " " and resid 172 and name HE21)) ( segid " " and resid 215 and name HG2%) OR { 1560} (( segid " " and resid 172 and name HE22)) ( segid " " and resid 215 and name HG2%) ASSI { 1596} (( segid " " and resid 186 and name HE21)) (( segid " " and resid 187 and name HN )) 3.900 1.900 2.100 peak 1596 weight 0.10000E+01 volume 0.24011E-03 ppm1 6.812 ppm2 8.401 CV 1 ASSI { 1584} (( segid " " and resid 126 and name HN )) ( segid " " and resid 129 and name HE% ) 3.900 1.900 1.900 peak 1584 weight 0.10000E+01 volume 0.23714E-03 ppm1 8.524 ppm2 1.984 CV 1 ASSI { 1595} (( segid " " and resid 186 and name HE21)) (( segid " " and resid 185 and name HG2 )) 3.800 1.800 1.800 peak 1595 weight 0.10000E+01 volume 0.25694E-03 ppm1 6.818 ppm2 1.494 CV 1 ASSI { 1571} (( segid " " and resid 186 and name HE21)) (( segid " " and resid 186 and name HA )) 3.500 1.600 1.600 peak 1571 weight 0.10000E+01 volume 0.40793E-03 ppm1 6.804 ppm2 4.018 CV 1 ASSI { 1819} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA1 )) 2.100 2.100 3.900 peak 1819 weight 0.10000E+01 volume 0.85152E-02 ppm1 8.531 ppm2 3.958 CV 1 ASSI { 1570} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB1 )) 2.700 2.700 3.300 peak 1570 weight 0.10000E+01 volume 0.22476E-02 ppm1 8.524 ppm2 1.574 CV 1 ASSI { 1592} (( segid " " and resid 186 and name HE21)) ( segid " " and resid 125 and name HD2%) 4.000 2.000 2.000 peak 1592 weight 0.10000E+01 volume 0.20198E-03 ppm1 6.814 ppm2 0.637 CV 1 ASSI { 1585} (( segid " " and resid 126 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.700 1.700 1.700 peak 1585 weight 0.10000E+01 volume 0.32922E-03 ppm1 8.522 ppm2 2.853 CV 1 ASSI { 1568} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HD1%) 3.100 1.200 1.400 peak 1568 weight 0.10000E+01 volume 0.91092E-03 ppm1 8.523 ppm2 0.682 CV 1 ASSI { 1567} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HD2%) 3.300 1.100 1.300 peak 1567 weight 0.10000E+01 volume 0.10298E-02 ppm1 8.524 ppm2 0.577 CV 1 ASSI { 1575} (( segid " " and resid 126 and name HN )) ( segid " " and resid 128 and name HD% ) 3.500 1.500 1.700 peak 1575 weight 0.10000E+01 volume 0.51983E-03 ppm1 8.524 ppm2 6.810 CV 1 ASSI { 1594} (( segid " " and resid 186 and name HE22)) (( segid " " and resid 186 and name HG1 )) 3.000 1.200 1.400 peak 1594 weight 0.10000E+01 volume 0.10000E-02 ppm1 6.709 ppm2 2.039 CV 1 ASSI { 1607} (( segid " " and resid 186 and name HE22)) (( segid " " and resid 189 and name HB )) 3.900 1.900 1.900 peak 1607 weight 0.10000E+01 volume 0.22872E-03 ppm1 6.708 ppm2 2.214 CV 1 ASSI { 1598} (( segid " " and resid 186 and name HE22)) (( segid " " and resid 186 and name HE21)) 1.900 0.400 0.600 peak 1598 weight 0.10000E+01 volume 0.19159E-01 ppm1 6.709 ppm2 6.816 CV 1 ASSI { 1608} (( segid " " and resid 186 and name HE22)) (( segid " " and resid 186 and name HA )) 3.500 1.500 1.700 peak 1608 weight 0.10000E+01 volume 0.46982E-03 ppm1 6.709 ppm2 4.051 CV 1 ASSI { 1597} (( segid " " and resid 186 and name HE22)) ( segid " " and resid 125 and name HD2%) 3.800 1.800 1.800 peak 1597 weight 0.10000E+01 volume 0.27724E-03 ppm1 6.708 ppm2 0.620 CV 1 ASSI { 1604} (( segid " " and resid 186 and name HE21)) (( segid " " and resid 186 and name HG2 )) 2.800 1.000 1.200 peak 1604 weight 0.10000E+01 volume 0.15694E-02 ppm1 6.820 ppm2 1.653 CV 1 ASSI { 1606} (( segid " " and resid 186 and name HE21)) (( segid " " and resid 186 and name HG1 )) 2.900 1.000 1.200 peak 1606 weight 0.10000E+01 volume 0.14010E-02 ppm1 6.821 ppm2 2.042 CV 1 ASSI { 1600} (( segid " " and resid 186 and name HE21)) (( segid " " and resid 182 and name HG11)) 3.500 1.600 1.600 peak 1600 weight 0.10000E+01 volume 0.40349E-03 ppm1 6.819 ppm2 0.923 CV 1 OR { 1600} (( segid " " and resid 186 and name HE21)) (( segid " " and resid 182 and name HG12)) ASSI { 1603} (( segid " " and resid 186 and name HE22)) ( segid " " and resid 190 and name HG2%) 3.300 3.300 2.700 peak 1603 weight 0.10000E+01 volume 0.65844E-03 ppm1 6.709 ppm2 1.302 CV 1 ASSI { 1601} (( segid " " and resid 186 and name HE22)) (( segid " " and resid 182 and name HG11)) 3.200 3.200 2.800 peak 1601 weight 0.10000E+01 volume 0.67824E-03 ppm1 6.708 ppm2 0.919 CV 1 OR { 1601} (( segid " " and resid 186 and name HE22)) (( segid " " and resid 182 and name HG12)) ASSI { 1602} (( segid " " and resid 186 and name HE22)) ( segid " " and resid 189 and name HG2%) 3.200 1.300 1.500 peak 1602 weight 0.10000E+01 volume 0.78221E-03 ppm1 6.708 ppm2 0.971 CV 1 ASSI { 1625} (( segid " " and resid 159 and name HD22)) (( segid " " and resid 159 and name HA )) 3.700 1.700 1.700 peak 1625 weight 0.10000E+01 volume 0.32477E-03 ppm1 6.782 ppm2 4.693 CV 1 ASSI { 1620} (( segid " " and resid 159 and name HD21)) (( segid " " and resid 133 and name HA )) 3.700 1.700 1.700 peak 1620 weight 0.10000E+01 volume 0.31586E-03 ppm1 7.473 ppm2 4.405 CV 1 ASSI { 1609} (( segid " " and resid 229 and name HN )) (( segid " " and resid 228 and name HG2 )) 3.100 3.100 2.900 peak 1609 weight 0.10000E+01 volume 0.84656E-03 ppm1 8.244 ppm2 1.652 CV 1 OR { 1609} (( segid " " and resid 229 and name HN )) (( segid " " and resid 228 and name HG1 )) ASSI { 1611} (( segid " " and resid 229 and name HN )) (( segid " " and resid 227 and name HB2 )) 3.800 1.800 1.800 peak 1611 weight 0.10000E+01 volume 0.27080E-03 ppm1 8.245 ppm2 2.091 CV 1 ASSI { 1627} (( segid " " and resid 159 and name HD22)) (( segid " " and resid 159 and name HB1 )) 2.900 2.900 3.100 peak 1627 weight 0.10000E+01 volume 0.12327E-02 ppm1 6.786 ppm2 3.598 CV 1 ASSI { 1624} (( segid " " and resid 159 and name HD22)) (( segid " " and resid 159 and name HD21)) 2.000 0.500 0.700 peak 1624 weight 0.10000E+01 volume 0.12327E-01 ppm1 6.785 ppm2 7.475 CV 1 ASSI { 1628} (( segid " " and resid 159 and name HD22)) (( segid " " and resid 159 and name HB2 )) 2.900 1.100 1.300 peak 1628 weight 0.10000E+01 volume 0.12129E-02 ppm1 6.784 ppm2 2.458 CV 1 ASSI { 1610} (( segid " " and resid 229 and name HN )) (( segid " " and resid 228 and name HB1 )) 2.600 0.900 1.100 peak 1610 weight 0.10000E+01 volume 0.23219E-02 ppm1 8.246 ppm2 1.816 CV 1 OR { 1610} (( segid " " and resid 229 and name HN )) (( segid " " and resid 228 and name HB2 )) ASSI { 1622} (( segid " " and resid 159 and name HD21)) (( segid " " and resid 159 and name HN )) 3.700 1.700 1.700 peak 1622 weight 0.10000E+01 volume 0.36437E-03 ppm1 7.475 ppm2 8.668 CV 1 ASSI { 1632} (( segid " " and resid 159 and name HD21)) (( segid " " and resid 159 and name HA )) 3.400 1.500 1.700 peak 1632 weight 0.10000E+01 volume 0.47675E-03 ppm1 7.478 ppm2 4.712 CV 1 ASSI { 1631} (( segid " " and resid 159 and name HD21)) (( segid " " and resid 159 and name HB1 )) 2.900 1.000 1.200 peak 1631 weight 0.10000E+01 volume 0.14407E-02 ppm1 7.478 ppm2 3.602 CV 1 ASSI { 1630} (( segid " " and resid 159 and name HD21)) (( segid " " and resid 159 and name HB2 )) 2.900 1.100 1.300 peak 1630 weight 0.10000E+01 volume 0.13070E-02 ppm1 7.479 ppm2 2.459 CV 1 ASSI { 1637} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.300 1.300 1.500 peak 1637 weight 0.10000E+01 volume 0.67329E-03 ppm1 8.341 ppm2 2.863 CV 1 OR { 1637} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HB1 )) ASSI { 1638} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) 2.400 0.700 0.900 peak 1638 weight 0.10000E+01 volume 0.51488E-02 ppm1 8.340 ppm2 7.747 CV 1 ASSI { 1633} (( segid " " and resid 127 and name HN )) ( segid " " and resid 128 and name HD% ) 3.100 1.200 1.400 peak 1633 weight 0.10000E+01 volume 0.10891E-02 ppm1 8.340 ppm2 6.822 CV 1 ASSI { 1642} (( segid " " and resid 127 and name HN )) ( segid " " and resid 128 and name HE% ) 3.700 1.700 1.700 peak 1642 weight 0.10000E+01 volume 0.36536E-03 ppm1 8.330 ppm2 6.656 CV 1 ASSI { 1644} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HA )) 3.100 3.100 2.900 peak 1644 weight 0.10000E+01 volume 0.82677E-03 ppm1 8.338 ppm2 4.464 CV 1 ASSI { 1647} (( segid " " and resid 127 and name HN )) (( segid " " and resid 182 and name HG11)) 3.300 3.300 2.700 peak 1647 weight 0.10000E+01 volume 0.57428E-03 ppm1 8.342 ppm2 0.875 CV 1 OR { 1647} (( segid " " and resid 127 and name HN )) (( segid " " and resid 182 and name HG12)) ASSI { 1646} (( segid " " and resid 127 and name HN )) (( segid " " and resid 125 and name HB1 )) 3.300 3.300 2.700 peak 1646 weight 0.10000E+01 volume 0.57428E-03 ppm1 8.336 ppm2 1.579 CV 1 ASSI { 1651} (( segid " " and resid 142 and name HN )) (( segid " " and resid 204 and name HE1 )) 3.400 1.400 1.600 peak 1651 weight 0.10000E+01 volume 0.53962E-03 ppm1 9.006 ppm2 2.954 CV 1 OR { 1651} (( segid " " and resid 142 and name HN )) (( segid " " and resid 204 and name HE2 )) ASSI { 1654} (( segid " " and resid 142 and name HN )) (( segid " " and resid 146 and name HA )) 3.800 1.800 1.800 peak 1654 weight 0.10000E+01 volume 0.28714E-03 ppm1 9.005 ppm2 3.594 CV 1 ASSI { 1657} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 2.600 0.800 1.000 peak 1657 weight 0.10000E+01 volume 0.27674E-02 ppm1 9.008 ppm2 4.325 CV 1 ASSI { 1652} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB1 )) 2.600 0.900 1.100 peak 1652 weight 0.10000E+01 volume 0.24357E-02 ppm1 9.008 ppm2 3.323 CV 1 ASSI { 1650} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB2 )) 2.400 1.000 1.200 peak 1650 weight 0.10000E+01 volume 0.15991E-02 ppm1 9.008 ppm2 2.791 CV 1 ASSI { 1660} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) 2.000 0.600 0.800 peak 1660 weight 0.10000E+01 volume 0.66339E-02 ppm1 9.008 ppm2 7.318 CV 1 ASSI { 1655} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA2 )) 2.300 0.600 0.800 peak 1655 weight 0.10000E+01 volume 0.57923E-02 ppm1 9.008 ppm2 3.808 CV 1 ASSI { 1648} (( segid " " and resid 142 and name HN )) ( segid " " and resid 205 and name HE% ) 3.600 1.600 1.600 peak 1648 weight 0.10000E+01 volume 0.39854E-03 ppm1 9.011 ppm2 1.525 CV 1 ASSI { 1649} (( segid " " and resid 142 and name HN )) (( segid " " and resid 146 and name HB1 )) 3.500 1.500 1.700 peak 1649 weight 0.10000E+01 volume 0.47081E-03 ppm1 9.009 ppm2 1.944 CV 1 ASSI { 1656} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA1 )) 2.300 0.600 0.800 peak 1656 weight 0.10000E+01 volume 0.58419E-02 ppm1 9.008 ppm2 4.182 CV 1 ASSI { 1659} (( segid " " and resid 142 and name HN )) ( segid " " and resid 141 and name HE% ) 3.900 3.900 2.100 peak 1659 weight 0.10000E+01 volume 0.26437E-03 ppm1 9.006 ppm2 6.896 CV 1 ASSI { 1672} (( segid " " and resid 195 and name HN )) ( segid " " and resid 191 and name HG2%) 3.700 1.700 1.700 peak 1672 weight 0.10000E+01 volume 0.29358E-03 ppm1 7.984 ppm2 0.944 CV 1 ASSI { 1690} (( segid " " and resid 195 and name HN )) (( segid " " and resid 193 and name HN )) 2.800 2.800 3.200 peak 1690 weight 0.10000E+01 volume 0.17922E-02 ppm1 7.990 ppm2 7.877 CV 1 ASSI { 1681} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HB2 )) 3.000 1.100 1.300 peak 1681 weight 0.10000E+01 volume 0.11436E-02 ppm1 7.989 ppm2 1.834 CV 1 ASSI { 1680} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HG2 )) 3.000 3.000 3.000 peak 1680 weight 0.10000E+01 volume 0.11090E-02 ppm1 7.991 ppm2 1.492 CV 1 OR { 1680} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HG1 )) ASSI { 1682} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HB1 )) 3.000 1.100 1.300 peak 1682 weight 0.10000E+01 volume 0.10298E-02 ppm1 7.990 ppm2 1.991 CV 1 ASSI { 1686} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HA1 )) 2.300 2.300 3.700 peak 1686 weight 0.10000E+01 volume 0.58914E-02 ppm1 7.990 ppm2 4.123 CV 1 ASSI { 1684} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HA2 )) 2.100 0.600 0.800 peak 1684 weight 0.10000E+01 volume 0.87627E-02 ppm1 7.990 ppm2 3.808 CV 1 ASSI { 1700} (( segid " " and resid 195 and name HN )) (( segid " " and resid 196 and name HN )) 2.200 0.600 0.800 peak 1700 weight 0.10000E+01 volume 0.82677E-02 ppm1 7.990 ppm2 7.594 CV 1 ASSI { 13} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.700 0.900 1.100 peak 13 weight 0.10000E+01 volume 0.19555E-02 ppm1 6.437 ppm2 3.915 CV 1 ASSI { 22} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA )) 2.200 0.600 0.800 peak 22 weight 0.10000E+01 volume 0.76736E-02 ppm1 6.437 ppm2 4.137 CV 1 ASSI { 1898} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 2.800 1.000 1.200 peak 1898 weight 0.10000E+01 volume 0.15149E-02 ppm1 8.655 ppm2 4.454 CV 1 ASSI { 29} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 2.000 0.500 0.700 peak 29 weight 0.10000E+01 volume 0.12723E-01 ppm1 8.650 ppm2 4.345 CV 1 ASSI { 50} (( segid " " and resid 133 and name HN )) (( segid " " and resid 160 and name HE22)) 3.200 1.200 1.400 peak 50 weight 0.10000E+01 volume 0.88123E-03 ppm1 8.764 ppm2 6.964 CV 1 ASSI { 49} (( segid " " and resid 133 and name HN )) (( segid " " and resid 160 and name HE21)) 3.100 1.200 1.400 peak 49 weight 0.10000E+01 volume 0.10396E-02 ppm1 8.765 ppm2 7.916 CV 1 ASSI { 89} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.500 0.800 1.000 peak 89 weight 0.10000E+01 volume 0.31981E-02 ppm1 9.043 ppm2 4.119 CV 1 ASSI { 90} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 2.400 0.700 0.900 peak 90 weight 0.10000E+01 volume 0.38764E-02 ppm1 9.042 ppm2 4.486 CV 1 ASSI { 88} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB1 )) 2.600 2.600 3.400 peak 88 weight 0.10000E+01 volume 0.23466E-02 ppm1 9.042 ppm2 3.936 CV 1 ASSI { 91} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 2.200 2.200 3.800 peak 91 weight 0.10000E+01 volume 0.72775E-02 ppm1 9.043 ppm2 4.794 CV 1 ASSI { 125} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.900 1.100 1.300 peak 125 weight 0.10000E+01 volume 0.12426E-02 ppm1 10.298 ppm2 4.332 CV 1 ASSI { 127} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 2.600 0.700 0.900 peak 127 weight 0.10000E+01 volume 0.50002E-02 ppm1 10.298 ppm2 4.916 CV 1 ASSI { 1762} (( segid " " and resid 215 and name HN )) (( segid " " and resid 211 and name HA )) 2.600 2.600 3.400 peak 1762 weight 0.10000E+01 volume 0.23516E-02 ppm1 8.341 ppm2 3.616 CV 1 ASSI { 108} (( segid " " and resid 215 and name HN )) (( segid " " and resid 214 and name HB1 )) 2.600 2.600 3.400 peak 108 weight 0.10000E+01 volume 0.27823E-02 ppm1 8.337 ppm2 3.567 CV 1 ASSI { 152} (( segid " " and resid 185 and name HN )) (( segid " " and resid 182 and name HA )) 2.900 1.100 1.300 peak 152 weight 0.10000E+01 volume 0.13466E-02 ppm1 8.055 ppm2 3.738 CV 1 ASSI { 168} (( segid " " and resid 231 and name HN )) (( segid " " and resid 231 and name HA )) 2.900 1.100 1.300 peak 168 weight 0.10000E+01 volume 0.13169E-02 ppm1 8.006 ppm2 4.299 CV 1 ASSI { 196} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 2.600 0.900 1.100 peak 196 weight 0.10000E+01 volume 0.24060E-02 ppm1 8.654 ppm2 4.132 CV 1 ASSI { 197} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.000 0.500 0.700 peak 197 weight 0.10000E+01 volume 0.11882E-01 ppm1 8.653 ppm2 4.418 CV 1 ASSI { 1767} (( segid " " and resid 217 and name HN )) (( segid " " and resid 214 and name HA )) 2.700 0.900 1.100 peak 1767 weight 0.10000E+01 volume 0.19754E-02 ppm1 8.702 ppm2 4.421 CV 1 ASSI { 228} (( segid " " and resid 217 and name HN )) (( segid " " and resid 217 and name HA )) 2.700 0.900 1.100 peak 228 weight 0.10000E+01 volume 0.19011E-02 ppm1 8.696 ppm2 3.633 CV 1 ASSI { 230} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HB )) 2.600 0.800 1.000 peak 230 weight 0.10000E+01 volume 0.25892E-02 ppm1 8.696 ppm2 4.331 CV 1 ASSI { 229} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HA )) 3.100 1.200 1.400 peak 229 weight 0.10000E+01 volume 0.95549E-03 ppm1 8.697 ppm2 3.963 CV 1 ASSI { 1764} (( segid " " and resid 217 and name HN )) (( segid " " and resid 213 and name HA )) 3.100 1.200 1.400 peak 1764 weight 0.10000E+01 volume 0.82677E-03 ppm1 8.696 ppm2 4.136 CV 1 ASSI { 211} (( segid " " and resid 217 and name HN )) (( segid " " and resid 215 and name HN )) 3.400 1.400 1.600 peak 211 weight 0.10000E+01 volume 0.58914E-03 ppm1 8.696 ppm2 8.355 CV 1 ASSI { 239} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HN )) 3.300 1.400 1.600 peak 239 weight 0.10000E+01 volume 0.68815E-03 ppm1 8.235 ppm2 10.294 CV 1 ASSI { 1882} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HN )) 3.300 1.300 1.500 peak 1882 weight 0.10000E+01 volume 0.69805E-03 ppm1 8.234 ppm2 6.438 CV 1 ASSI { 261} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 2.600 0.800 1.000 peak 261 weight 0.10000E+01 volume 0.25842E-02 ppm1 8.236 ppm2 4.920 CV 1 ASSI { 268} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HB1 )) 2.500 2.500 3.500 peak 268 weight 0.10000E+01 volume 0.33269E-02 ppm1 8.696 ppm2 3.130 CV 1 ASSI { 267} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HB2 )) 2.300 0.700 0.900 peak 267 weight 0.10000E+01 volume 0.54457E-02 ppm1 8.696 ppm2 2.933 CV 1 ASSI { 257} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.000 0.500 0.700 peak 257 weight 0.10000E+01 volume 0.11783E-01 ppm1 8.234 ppm2 3.918 CV 1 ASSI { 241} (( segid " " and resid 198 and name HN )) ( segid " " and resid 198 and name HD% ) 2.600 2.600 3.400 peak 241 weight 0.10000E+01 volume 0.29159E-02 ppm1 8.695 ppm2 7.329 CV 1 ASSI { 271} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HA )) 2.600 0.800 1.000 peak 271 weight 0.10000E+01 volume 0.27031E-02 ppm1 8.696 ppm2 5.292 CV 1 ASSI { 281} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HA )) 2.000 0.500 0.700 peak 281 weight 0.10000E+01 volume 0.13218E-01 ppm1 8.697 ppm2 4.644 CV 1 ASSI { 1836} (( segid " " and resid 218 and name HN )) (( segid " " and resid 217 and name HN )) 2.900 1.000 1.200 peak 1836 weight 0.10000E+01 volume 0.15496E-02 ppm1 8.588 ppm2 8.700 CV 1 ASSI { 309} (( segid " " and resid 218 and name HN )) ( segid " " and resid 175 and name HD% ) 3.700 1.700 1.700 peak 309 weight 0.10000E+01 volume 0.32773E-03 ppm1 8.591 ppm2 7.312 CV 1 ASSI { 287} (( segid " " and resid 210 and name HN )) (( segid " " and resid 209 and name HA )) 3.300 1.400 1.600 peak 287 weight 0.10000E+01 volume 0.59408E-03 ppm1 9.100 ppm2 3.809 CV 1 ASSI { 1748} (( segid " " and resid 210 and name HN )) (( segid " " and resid 206 and name HA )) 2.700 0.900 1.100 peak 1748 weight 0.10000E+01 volume 0.21189E-02 ppm1 9.105 ppm2 3.573 CV 1 ASSI { 298} (( segid " " and resid 218 and name HN )) (( segid " " and resid 217 and name HB2 )) 3.200 1.300 1.500 peak 298 weight 0.10000E+01 volume 0.67824E-03 ppm1 8.588 ppm2 2.296 CV 1 ASSI { 1856} (( segid " " and resid 218 and name HN )) ( segid " " and resid 176 and name HG1%) 3.700 1.700 1.700 peak 1856 weight 0.10000E+01 volume 0.33070E-03 ppm1 8.589 ppm2 1.068 CV 1 ASSI { 320} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) 2.500 0.800 1.000 peak 320 weight 0.10000E+01 volume 0.32626E-02 ppm1 8.501 ppm2 4.919 CV 1 ASSI { 297} (( segid " " and resid 218 and name HN )) (( segid " " and resid 219 and name HB2 )) 3.200 1.300 1.500 peak 297 weight 0.10000E+01 volume 0.72775E-03 ppm1 8.587 ppm2 2.078 CV 1 ASSI { 301} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HB1 )) 2.900 1.000 1.200 peak 301 weight 0.10000E+01 volume 0.14110E-02 ppm1 8.587 ppm2 3.093 CV 1 ASSI { 299} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HB2 )) 2.900 1.100 1.300 peak 299 weight 0.10000E+01 volume 0.12575E-02 ppm1 8.584 ppm2 2.733 CV 1 ASSI { 303} (( segid " " and resid 218 and name HN )) (( segid " " and resid 215 and name HA )) 3.200 1.300 1.500 peak 303 weight 0.10000E+01 volume 0.75746E-03 ppm1 8.587 ppm2 3.580 CV 1 ASSI { 308} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD% ) 2.900 2.900 3.100 peak 308 weight 0.10000E+01 volume 0.14308E-02 ppm1 8.502 ppm2 6.892 CV 1 ASSI { 306} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA )) 3.300 1.300 1.500 peak 306 weight 0.10000E+01 volume 0.66834E-03 ppm1 8.503 ppm2 5.520 CV 1 ASSI { 310} (( segid " " and resid 218 and name HN )) ( segid " " and resid 175 and name HE% ) 3.200 1.300 1.500 peak 310 weight 0.10000E+01 volume 0.84161E-03 ppm1 8.584 ppm2 7.654 CV 1 ASSI { 305} (( segid " " and resid 218 and name HN )) ( segid " " and resid 218 and name HD% ) 3.500 1.500 1.700 peak 305 weight 0.10000E+01 volume 0.49458E-03 ppm1 8.586 ppm2 6.212 CV 1 ASSI { 1851} (( segid " " and resid 130 and name HN )) (( segid " " and resid 162 and name HA )) 3.800 1.800 1.800 peak 1851 weight 0.10000E+01 volume 0.27477E-03 ppm1 8.078 ppm2 5.526 CV 1 ASSI { 332} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HN )) 3.400 1.500 1.700 peak 332 weight 0.10000E+01 volume 0.52478E-03 ppm1 8.081 ppm2 9.375 CV 1 ASSI { 360} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 2.600 0.800 1.000 peak 360 weight 0.10000E+01 volume 0.28664E-02 ppm1 8.327 ppm2 3.826 CV 1 ASSI { 1904} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HD1 )) 3.000 3.000 3.000 peak 1904 weight 0.10000E+01 volume 0.10396E-02 ppm1 8.324 ppm2 3.224 CV 1 OR { 1904} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HD2 )) ASSI { 356} (( segid " " and resid 218 and name HN )) (( segid " " and resid 214 and name HA )) 3.600 1.600 1.600 peak 356 weight 0.10000E+01 volume 0.39308E-03 ppm1 8.590 ppm2 4.413 CV 1 ASSI { 342} (( segid " " and resid 149 and name HN )) ( segid " " and resid 149 and name HD% ) 2.700 2.700 3.300 peak 342 weight 0.10000E+01 volume 0.21486E-02 ppm1 8.326 ppm2 6.922 CV 1 ASSI { 1903} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 2.900 1.100 1.300 peak 1903 weight 0.10000E+01 volume 0.13070E-02 ppm1 8.328 ppm2 4.023 CV 1 ASSI { 349} (( segid " " and resid 157 and name HN )) (( segid " " and resid 154 and name HA )) 3.000 1.100 1.300 peak 349 weight 0.10000E+01 volume 0.10941E-02 ppm1 7.461 ppm2 3.421 CV 1 ASSI { 322} (( segid " " and resid 157 and name HN )) ( segid " " and resid 157 and name HE% ) 3.300 3.300 2.700 peak 322 weight 0.10000E+01 volume 0.62379E-03 ppm1 7.462 ppm2 6.536 CV 1 ASSI { 328} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA )) 2.700 0.900 1.100 peak 328 weight 0.10000E+01 volume 0.19703E-02 ppm1 7.461 ppm2 4.984 CV 1 ASSI { 324} (( segid " " and resid 157 and name HN )) ( segid " " and resid 157 and name HD% ) 2.700 2.700 3.300 peak 324 weight 0.10000E+01 volume 0.23665E-02 ppm1 7.461 ppm2 6.848 CV 1 ASSI { 350} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA )) 2.800 1.000 1.200 peak 350 weight 0.10000E+01 volume 0.15297E-02 ppm1 7.462 ppm2 4.127 CV 1 ASSI { 376} (( segid " " and resid 219 and name HN )) ( segid " " and resid 218 and name HE% ) 3.800 1.800 1.800 peak 376 weight 0.10000E+01 volume 0.28912E-03 ppm1 8.301 ppm2 6.545 CV 1 ASSI { 404} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HA )) 2.600 0.900 1.100 peak 404 weight 0.10000E+01 volume 0.25150E-02 ppm1 8.298 ppm2 3.734 CV 1 ASSI { 405} (( segid " " and resid 219 and name HN )) (( segid " " and resid 216 and name HA )) 2.800 1.000 1.200 peak 405 weight 0.10000E+01 volume 0.17575E-02 ppm1 8.298 ppm2 3.954 CV 1 ASSI { 370} (( segid " " and resid 219 and name HN )) ( segid " " and resid 218 and name HD% ) 3.100 1.200 1.400 peak 370 weight 0.10000E+01 volume 0.10644E-02 ppm1 8.298 ppm2 6.211 CV 1 ASSI { 1771} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HA )) 3.300 1.400 1.600 peak 1771 weight 0.10000E+01 volume 0.60398E-03 ppm1 8.304 ppm2 4.731 CV 1 ASSI { 1770} (( segid " " and resid 219 and name HN )) (( segid " " and resid 215 and name HA )) 3.100 1.200 1.400 peak 1770 weight 0.10000E+01 volume 0.91588E-03 ppm1 8.300 ppm2 3.580 CV 1 ASSI { 1725} (( segid " " and resid 184 and name HN )) (( segid " " and resid 181 and name HA )) 3.100 1.200 1.400 peak 1725 weight 0.10000E+01 volume 0.89113E-03 ppm1 8.493 ppm2 4.321 CV 1 ASSI { 391} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HA )) 3.000 1.100 1.300 peak 391 weight 0.10000E+01 volume 0.11188E-02 ppm1 8.487 ppm2 4.073 CV 1 ASSI { 392} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HB )) 2.700 0.900 1.100 peak 392 weight 0.10000E+01 volume 0.22823E-02 ppm1 8.489 ppm2 4.479 CV 1 ASSI { 373} (( segid " " and resid 129 and name HN )) (( segid " " and resid 130 and name HN )) 3.600 1.600 1.600 peak 373 weight 0.10000E+01 volume 0.43566E-03 ppm1 9.016 ppm2 8.081 CV 1 ASSI { 1892} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HA )) 2.400 0.700 0.900 peak 1892 weight 0.10000E+01 volume 0.46784E-02 ppm1 9.021 ppm2 4.498 CV 1 ASSI { 371} (( segid " " and resid 129 and name HN )) (( segid " " and resid 162 and name HA )) 3.600 1.600 1.600 peak 371 weight 0.10000E+01 volume 0.39556E-03 ppm1 9.024 ppm2 5.530 CV 1 ASSI { 419} (( segid " " and resid 129 and name HN )) (( segid " " and resid 163 and name HN )) 3.000 1.100 1.300 peak 419 weight 0.10000E+01 volume 0.12426E-02 ppm1 9.021 ppm2 8.593 CV 1 ASSI { 441} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.100 0.500 0.700 peak 441 weight 0.10000E+01 volume 0.10298E-01 ppm1 8.708 ppm2 4.430 CV 1 ASSI { 442} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA )) 2.500 0.800 1.000 peak 442 weight 0.10000E+01 volume 0.33764E-02 ppm1 8.707 ppm2 4.730 CV 1 ASSI { 1755} (( segid " " and resid 211 and name HN )) (( segid " " and resid 210 and name HA )) 2.900 1.000 1.200 peak 1755 weight 0.10000E+01 volume 0.14505E-02 ppm1 7.994 ppm2 3.672 CV 1 ASSI { 423} (( segid " " and resid 224 and name HN )) (( segid " " and resid 223 and name HB2 )) 2.500 0.800 1.000 peak 423 weight 0.10000E+01 volume 0.29061E-02 ppm1 7.518 ppm2 2.108 CV 1 OR { 423} (( segid " " and resid 224 and name HN )) (( segid " " and resid 223 and name HB1 )) ASSI { 1926} (( segid " " and resid 224 and name HN )) (( segid " " and resid 220 and name HA )) 3.100 3.100 2.900 peak 1926 weight 0.10000E+01 volume 0.84161E-03 ppm1 7.522 ppm2 3.985 CV 1 ASSI { 475} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HA )) 2.600 0.900 1.100 peak 475 weight 0.10000E+01 volume 0.23615E-02 ppm1 7.988 ppm2 3.602 CV 1 ASSI { 486} (( segid " " and resid 150 and name HN )) ( segid " " and resid 149 and name HD% ) 2.700 0.900 1.100 peak 486 weight 0.10000E+01 volume 0.21733E-02 ppm1 8.977 ppm2 6.917 CV 1 ASSI { 1902} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA )) 2.800 1.000 1.200 peak 1902 weight 0.10000E+01 volume 0.16733E-02 ppm1 8.199 ppm2 4.684 CV 1 ASSI { 1739} (( segid " " and resid 202 and name HN )) (( segid " " and resid 201 and name HA )) 2.700 0.900 1.100 peak 1739 weight 0.10000E+01 volume 0.20347E-02 ppm1 7.547 ppm2 3.807 CV 1 ASSI { 1704} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HA )) 3.100 1.200 1.400 peak 1704 weight 0.10000E+01 volume 0.89113E-03 ppm1 8.206 ppm2 4.212 CV 1 ASSI { 452} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HA )) 3.100 1.200 1.400 peak 452 weight 0.10000E+01 volume 0.89113E-03 ppm1 8.977 ppm2 3.854 CV 1 ASSI { 488} (( segid " " and resid 150 and name HN )) ( segid " " and resid 150 and name HD% ) 2.800 2.800 3.200 peak 488 weight 0.10000E+01 volume 0.17624E-02 ppm1 8.977 ppm2 7.524 CV 1 ASSI { 453} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 2.700 0.900 1.100 peak 453 weight 0.10000E+01 volume 0.21041E-02 ppm1 8.977 ppm2 4.114 CV 1 ASSI { 448} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB1 )) 2.600 0.900 1.100 peak 448 weight 0.10000E+01 volume 0.24060E-02 ppm1 8.977 ppm2 2.869 CV 1 ASSI { 451} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB1 )) 2.400 0.700 0.900 peak 451 weight 0.10000E+01 volume 0.39854E-02 ppm1 8.976 ppm2 3.551 CV 1 ASSI { 447} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB2 )) 2.800 1.000 1.200 peak 447 weight 0.10000E+01 volume 0.15100E-02 ppm1 8.977 ppm2 2.594 CV 1 ASSI { 454} (( segid " " and resid 150 and name HN )) (( segid " " and resid 147 and name HA )) 3.200 1.300 1.500 peak 454 weight 0.10000E+01 volume 0.78716E-03 ppm1 8.976 ppm2 4.700 CV 1 ASSI { 450} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) 2.500 0.800 1.000 peak 450 weight 0.10000E+01 volume 0.34853E-02 ppm1 8.975 ppm2 3.248 CV 1 ASSI { 487} (( segid " " and resid 176 and name HN )) ( segid " " and resid 175 and name HD% ) 3.200 1.300 1.500 peak 487 weight 0.10000E+01 volume 0.78716E-03 ppm1 8.971 ppm2 7.306 CV 1 ASSI { 528} (( segid " " and resid 202 and name HN )) (( segid " " and resid 198 and name HA )) 3.100 3.100 2.900 peak 528 weight 0.10000E+01 volume 0.93073E-03 ppm1 7.543 ppm2 5.280 CV 1 ASSI { 534} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HA )) 2.300 0.600 0.800 peak 534 weight 0.10000E+01 volume 0.58419E-02 ppm1 8.677 ppm2 4.764 CV 1 ASSI { 519} (( segid " " and resid 223 and name HN )) (( segid " " and resid 222 and name HB2 )) 3.200 1.300 1.500 peak 519 weight 0.10000E+01 volume 0.68815E-03 ppm1 7.612 ppm2 3.394 CV 1 ASSI { 1718} (( segid " " and resid 176 and name HN )) (( segid " " and resid 177 and name HN )) 2.800 1.000 1.200 peak 1718 weight 0.10000E+01 volume 0.17674E-02 ppm1 8.949 ppm2 8.342 CV 1 ASSI { 525} (( segid " " and resid 223 and name HN )) (( segid " " and resid 223 and name HA )) 2.400 0.700 0.900 peak 525 weight 0.10000E+01 volume 0.40843E-02 ppm1 7.614 ppm2 4.134 CV 1 ASSI { 520} (( segid " " and resid 223 and name HN )) (( segid " " and resid 222 and name HB1 )) 3.200 1.300 1.500 peak 520 weight 0.10000E+01 volume 0.69805E-03 ppm1 7.610 ppm2 3.620 CV 1 ASSI { 1778} (( segid " " and resid 223 and name HN )) (( segid " " and resid 219 and name HA )) 3.200 1.300 1.500 peak 1778 weight 0.10000E+01 volume 0.76736E-03 ppm1 7.618 ppm2 3.776 CV 1 ASSI { 1713} (( segid " " and resid 176 and name HN )) (( segid " " and resid 173 and name HA )) 3.600 1.600 1.600 peak 1713 weight 0.10000E+01 volume 0.37378E-03 ppm1 8.957 ppm2 4.248 CV 1 ASSI { 549} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HA )) 3.700 1.700 1.700 peak 549 weight 0.10000E+01 volume 0.30199E-03 ppm1 7.813 ppm2 4.388 CV 1 ASSI { 572} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HA )) 2.600 0.900 1.100 peak 572 weight 0.10000E+01 volume 0.23169E-02 ppm1 8.219 ppm2 4.496 CV 1 ASSI { 1737} (( segid " " and resid 200 and name HN )) (( segid " " and resid 201 and name HB )) 3.600 1.600 1.600 peak 1737 weight 0.10000E+01 volume 0.38913E-03 ppm1 8.976 ppm2 3.718 CV 1 ASSI { 1760} (( segid " " and resid 214 and name HN )) (( segid " " and resid 211 and name HA )) 2.600 0.900 1.100 peak 1760 weight 0.10000E+01 volume 0.23812E-02 ppm1 9.222 ppm2 3.606 CV 1 ASSI { 1759} (( segid " " and resid 214 and name HN )) (( segid " " and resid 210 and name HA )) 2.900 2.900 3.100 peak 1759 weight 0.10000E+01 volume 0.14258E-02 ppm1 9.222 ppm2 3.678 CV 1 ASSI { 601} (( segid " " and resid 200 and name HN )) (( segid " " and resid 200 and name HA )) 2.600 0.800 1.000 peak 601 weight 0.10000E+01 volume 0.28764E-02 ppm1 8.972 ppm2 4.035 CV 1 ASSI { 599} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HB )) 2.200 0.600 0.800 peak 599 weight 0.10000E+01 volume 0.65844E-02 ppm1 8.972 ppm2 4.828 CV 1 ASSI { 596} (( segid " " and resid 214 and name HN )) (( segid " " and resid 179 and name HB1 )) 3.500 3.500 2.500 peak 596 weight 0.10000E+01 volume 0.42873E-03 ppm1 9.219 ppm2 3.362 CV 1 ASSI { 598} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HA )) 2.300 0.700 0.900 peak 598 weight 0.10000E+01 volume 0.51983E-02 ppm1 8.972 ppm2 4.606 CV 1 ASSI { 597} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HA )) 3.100 1.200 1.400 peak 597 weight 0.10000E+01 volume 0.93073E-03 ppm1 9.219 ppm2 4.152 CV 1 ASSI { 670} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HA )) 2.500 2.500 3.500 peak 670 weight 0.10000E+01 volume 0.29655E-02 ppm1 7.871 ppm2 4.360 CV 1 ASSI { 643} (( segid " " and resid 214 and name HN )) (( segid " " and resid 214 and name HB2 )) 2.700 0.900 1.100 peak 643 weight 0.10000E+01 volume 0.22476E-02 ppm1 9.218 ppm2 2.873 CV 1 ASSI { 644} (( segid " " and resid 214 and name HN )) (( segid " " and resid 214 and name HB1 )) 2.500 2.500 3.500 peak 644 weight 0.10000E+01 volume 0.36833E-02 ppm1 9.218 ppm2 3.538 CV 1 ASSI { 646} (( segid " " and resid 214 and name HN )) (( segid " " and resid 214 and name HA )) 2.600 0.900 1.100 peak 646 weight 0.10000E+01 volume 0.23219E-02 ppm1 9.218 ppm2 4.407 CV 1 ASSI { 667} (( segid " " and resid 213 and name HN )) (( segid " " and resid 209 and name HA )) 3.100 1.200 1.400 peak 667 weight 0.10000E+01 volume 0.83172E-03 ppm1 8.210 ppm2 3.832 CV 1 ASSI { 668} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HA )) 2.700 0.900 1.100 peak 668 weight 0.10000E+01 volume 0.21784E-02 ppm1 8.211 ppm2 4.147 CV 1 ASSI { 1784} (( segid " " and resid 225 and name HN )) (( segid " " and resid 222 and name HA )) 3.100 1.200 1.400 peak 1784 weight 0.10000E+01 volume 0.95054E-03 ppm1 8.090 ppm2 3.929 CV 1 ASSI { 1772} (( segid " " and resid 221 and name HN )) (( segid " " and resid 217 and name HA )) 3.300 1.300 1.500 peak 1772 weight 0.10000E+01 volume 0.65350E-03 ppm1 8.463 ppm2 3.661 CV 1 ASSI { 1757} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HA )) 2.700 0.900 1.100 peak 1757 weight 0.10000E+01 volume 0.21932E-02 ppm1 8.218 ppm2 3.998 CV 1 ASSI { 1742} (( segid " " and resid 204 and name HN )) (( segid " " and resid 201 and name HA )) 2.800 1.000 1.200 peak 1742 weight 0.10000E+01 volume 0.16238E-02 ppm1 7.574 ppm2 3.800 CV 1 ASSI { 1723} (( segid " " and resid 179 and name HN )) (( segid " " and resid 176 and name HA )) 2.800 1.000 1.200 peak 1723 weight 0.10000E+01 volume 0.16486E-02 ppm1 8.073 ppm2 3.518 CV 1 ASSI { 1861} (( segid " " and resid 225 and name HN )) (( segid " " and resid 224 and name HN )) 2.600 0.800 1.000 peak 1861 weight 0.10000E+01 volume 0.29506E-02 ppm1 8.080 ppm2 7.535 CV 1 ASSI { 1741} (( segid " " and resid 204 and name HN )) (( segid " " and resid 200 and name HA )) 2.400 2.400 3.600 peak 1741 weight 0.10000E+01 volume 0.40793E-02 ppm1 7.572 ppm2 4.053 CV 1 ASSI { 629} (( segid " " and resid 225 and name HN )) ( segid " " and resid 225 and name HD% ) 3.000 3.000 3.000 peak 629 weight 0.10000E+01 volume 0.12971E-02 ppm1 8.084 ppm2 6.660 CV 1 ASSI { 660} (( segid " " and resid 154 and name HN )) (( segid " " and resid 151 and name HA )) 3.100 1.200 1.400 peak 660 weight 0.10000E+01 volume 0.82677E-03 ppm1 8.055 ppm2 3.926 CV 1 ASSI { 659} (( segid " " and resid 225 and name HN )) (( segid " " and resid 225 and name HA )) 2.400 0.700 0.900 peak 659 weight 0.10000E+01 volume 0.44903E-02 ppm1 8.084 ppm2 4.158 CV 1 ASSI { 682} (( segid " " and resid 204 and name HN )) (( segid " " and resid 204 and name HA )) 2.400 0.700 0.900 peak 682 weight 0.10000E+01 volume 0.40793E-02 ppm1 7.567 ppm2 4.105 CV 1 ASSI { 681} (( segid " " and resid 204 and name HN )) (( segid " " and resid 204 and name HE2 )) 3.500 3.500 2.500 peak 681 weight 0.10000E+01 volume 0.45992E-03 ppm1 7.565 ppm2 2.930 CV 1 OR { 681} (( segid " " and resid 204 and name HN )) (( segid " " and resid 204 and name HE1 )) ASSI { 744} (( segid " " and resid 203 and name HN )) (( segid " " and resid 198 and name HB1 )) 3.100 1.200 1.400 peak 744 weight 0.10000E+01 volume 0.85647E-03 ppm1 8.203 ppm2 3.138 CV 1 ASSI { 707} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HA )) 3.000 1.100 1.300 peak 707 weight 0.10000E+01 volume 0.10446E-02 ppm1 7.566 ppm2 3.297 CV 1 ASSI { 745} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HA )) 2.500 0.800 1.000 peak 745 weight 0.10000E+01 volume 0.33962E-02 ppm1 8.206 ppm2 3.301 CV 1 ASSI { 1740} (( segid " " and resid 203 and name HN )) (( segid " " and resid 202 and name HA )) 3.000 1.100 1.300 peak 1740 weight 0.10000E+01 volume 0.10396E-02 ppm1 8.212 ppm2 4.602 CV 1 ASSI { 712} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 2.600 0.900 1.100 peak 712 weight 0.10000E+01 volume 0.23120E-02 ppm1 7.740 ppm2 3.566 CV 1 ASSI { 723} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HA )) 2.900 1.100 1.300 peak 723 weight 0.10000E+01 volume 0.12377E-02 ppm1 8.317 ppm2 4.227 CV 1 ASSI { 719} (( segid " " and resid 182 and name HN )) (( segid " " and resid 179 and name HA )) 3.800 1.800 1.800 peak 719 weight 0.10000E+01 volume 0.28071E-03 ppm1 8.712 ppm2 4.729 CV 1 ASSI { 725} (( segid " " and resid 209 and name HN )) (( segid " " and resid 209 and name HA )) 2.600 0.900 1.100 peak 725 weight 0.10000E+01 volume 0.24605E-02 ppm1 8.314 ppm2 3.815 CV 1 ASSI { 726} (( segid " " and resid 209 and name HN )) (( segid " " and resid 206 and name HA )) 2.900 1.000 1.200 peak 726 weight 0.10000E+01 volume 0.13713E-02 ppm1 8.316 ppm2 3.602 CV 1 ASSI { 709} (( segid " " and resid 146 and name HN )) (( segid " " and resid 143 and name HA )) 2.900 2.900 3.100 peak 709 weight 0.10000E+01 volume 0.14902E-02 ppm1 7.740 ppm2 4.793 CV 1 ASSI { 684} (( segid " " and resid 187 and name HN )) (( segid " " and resid 187 and name HD2 )) 3.500 1.500 1.700 peak 684 weight 0.10000E+01 volume 0.47626E-03 ppm1 8.372 ppm2 6.963 CV 1 ASSI { 1747} (( segid " " and resid 209 and name HN )) (( segid " " and resid 205 and name HA )) 3.100 1.200 1.400 peak 1747 weight 0.10000E+01 volume 0.95054E-03 ppm1 8.320 ppm2 4.142 CV 1 ASSI { 711} (( segid " " and resid 146 and name HN )) (( segid " " and resid 143 and name HB1 )) 3.200 3.200 2.800 peak 711 weight 0.10000E+01 volume 0.71785E-03 ppm1 7.739 ppm2 3.925 CV 1 ASSI { 727} (( segid " " and resid 187 and name HN )) (( segid " " and resid 184 and name HA )) 3.100 1.200 1.400 peak 727 weight 0.10000E+01 volume 0.94558E-03 ppm1 8.368 ppm2 3.670 CV 1 ASSI { 762} (( segid " " and resid 145 and name HN )) ( segid " " and resid 145 and name HD% ) 2.800 2.800 3.200 peak 762 weight 0.10000E+01 volume 0.17327E-02 ppm1 8.583 ppm2 7.052 CV 1 ASSI { 788} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA )) 2.300 0.700 0.900 peak 788 weight 0.10000E+01 volume 0.53467E-02 ppm1 8.583 ppm2 4.179 CV 1 ASSI { 790} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 2.800 1.000 1.200 peak 790 weight 0.10000E+01 volume 0.15297E-02 ppm1 8.583 ppm2 4.501 CV 1 ASSI { 1905} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 2.700 0.900 1.100 peak 1905 weight 0.10000E+01 volume 0.22625E-02 ppm1 7.536 ppm2 4.128 CV 1 ASSI { 838} (( segid " " and resid 207 and name HN )) (( segid " " and resid 204 and name HA )) 2.900 1.000 1.200 peak 838 weight 0.10000E+01 volume 0.13763E-02 ppm1 8.489 ppm2 4.104 CV 1 ASSI { 1722} (( segid " " and resid 178 and name HN )) (( segid " " and resid 175 and name HA )) 2.800 2.800 3.200 peak 1722 weight 0.10000E+01 volume 0.17278E-02 ppm1 7.740 ppm2 2.988 CV 1 ASSI { 818} (( segid " " and resid 178 and name HN )) (( segid " " and resid 177 and name HA )) 3.500 1.500 1.700 peak 818 weight 0.10000E+01 volume 0.46685E-03 ppm1 7.741 ppm2 4.337 CV 1 ASSI { 817} (( segid " " and resid 156 and name HN )) (( segid " " and resid 153 and name HA )) 3.500 1.500 1.700 peak 817 weight 0.10000E+01 volume 0.45250E-03 ppm1 7.538 ppm2 4.330 CV 1 ASSI { 836} (( segid " " and resid 207 and name HN )) (( segid " " and resid 203 and name HA )) 3.200 1.300 1.500 peak 836 weight 0.10000E+01 volume 0.79211E-03 ppm1 8.490 ppm2 3.301 CV 1 ASSI { 821} (( segid " " and resid 216 and name HN )) (( segid " " and resid 213 and name HA )) 2.600 0.800 1.000 peak 821 weight 0.10000E+01 volume 0.25991E-02 ppm1 8.116 ppm2 4.154 CV 1 ASSI { 823} (( segid " " and resid 216 and name HN )) (( segid " " and resid 215 and name HA )) 2.900 1.100 1.300 peak 823 weight 0.10000E+01 volume 0.12129E-02 ppm1 8.116 ppm2 3.586 CV 1 ASSI { 822} (( segid " " and resid 216 and name HN )) (( segid " " and resid 216 and name HA )) 2.500 0.800 1.000 peak 822 weight 0.10000E+01 volume 0.35942E-02 ppm1 8.115 ppm2 3.961 CV 1 ASSI { 820} (( segid " " and resid 216 and name HN )) (( segid " " and resid 216 and name HB )) 2.300 0.700 0.900 peak 820 weight 0.10000E+01 volume 0.53467E-02 ppm1 8.115 ppm2 4.307 CV 1 ASSI { 853} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HA )) 2.600 0.800 1.000 peak 853 weight 0.10000E+01 volume 0.27674E-02 ppm1 8.637 ppm2 4.548 CV 1 ASSI { 856} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HA )) 2.900 1.100 1.300 peak 856 weight 0.10000E+01 volume 0.12773E-02 ppm1 8.638 ppm2 4.235 CV 1 ASSI { 1724} (( segid " " and resid 183 and name HN )) (( segid " " and resid 180 and name HA )) 3.300 1.300 1.500 peak 1724 weight 0.10000E+01 volume 0.67329E-03 ppm1 8.195 ppm2 3.662 CV 1 ASSI { 874} (( segid " " and resid 205 and name HN )) (( segid " " and resid 202 and name HA )) 3.000 1.100 1.300 peak 874 weight 0.10000E+01 volume 0.12080E-02 ppm1 8.156 ppm2 4.578 CV 1 ASSI { 872} (( segid " " and resid 205 and name HN )) (( segid " " and resid 201 and name HA )) 3.200 1.300 1.500 peak 872 weight 0.10000E+01 volume 0.79211E-03 ppm1 8.156 ppm2 3.782 CV 1 ASSI { 899} (( segid " " and resid 206 and name HN )) (( segid " " and resid 202 and name HA )) 3.200 1.300 1.500 peak 899 weight 0.10000E+01 volume 0.78221E-03 ppm1 8.697 ppm2 4.593 CV 1 ASSI { 897} (( segid " " and resid 206 and name HN )) (( segid " " and resid 206 and name HA )) 2.600 0.800 1.000 peak 897 weight 0.10000E+01 volume 0.25744E-02 ppm1 8.700 ppm2 3.569 CV 1 ASSI { 1743} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HA )) 2.900 1.100 1.300 peak 1743 weight 0.10000E+01 volume 0.12624E-02 ppm1 8.705 ppm2 4.154 CV 1 ASSI { 896} (( segid " " and resid 206 and name HN )) (( segid " " and resid 203 and name HA )) 2.900 1.100 1.300 peak 896 weight 0.10000E+01 volume 0.12129E-02 ppm1 8.700 ppm2 3.295 CV 1 ASSI { 931} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA )) 2.800 1.000 1.200 peak 931 weight 0.10000E+01 volume 0.14951E-02 ppm1 7.940 ppm2 4.102 CV 1 ASSI { 926} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HB2 )) 2.400 0.700 0.900 peak 926 weight 0.10000E+01 volume 0.45695E-02 ppm1 7.976 ppm2 2.953 CV 1 ASSI { 911} (( segid " " and resid 226 and name HN )) ( segid " " and resid 226 and name HD% ) 2.800 1.000 1.200 peak 911 weight 0.10000E+01 volume 0.17773E-02 ppm1 7.976 ppm2 7.198 CV 1 ASSI { 927} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HB1 )) 2.500 2.500 3.500 peak 927 weight 0.10000E+01 volume 0.31189E-02 ppm1 7.976 ppm2 3.151 CV 1 ASSI { 930} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 2.400 0.700 0.900 peak 930 weight 0.10000E+01 volume 0.37229E-02 ppm1 7.938 ppm2 3.947 CV 1 ASSI { 1859} (( segid " " and resid 226 and name HN )) (( segid " " and resid 225 and name HB2 )) 2.600 2.600 3.400 peak 1859 weight 0.10000E+01 volume 0.27477E-02 ppm1 7.975 ppm2 2.840 CV 1 ASSI { 1785} (( segid " " and resid 226 and name HN )) (( segid " " and resid 222 and name HA )) 3.200 1.300 1.500 peak 1785 weight 0.10000E+01 volume 0.73270E-03 ppm1 7.982 ppm2 3.915 CV 1 ASSI { 951} (( segid " " and resid 192 and name HN )) (( segid " " and resid 189 and name HA )) 3.000 3.000 3.000 peak 951 weight 0.10000E+01 volume 0.10199E-02 ppm1 8.207 ppm2 3.935 CV 1 ASSI { 955} (( segid " " and resid 128 and name HN )) ( segid " " and resid 128 and name HD% ) 2.400 0.700 0.900 peak 955 weight 0.10000E+01 volume 0.48021E-02 ppm1 7.745 ppm2 6.811 CV 1 ASSI { 960} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA1 )) 2.500 2.500 3.500 peak 960 weight 0.10000E+01 volume 0.36536E-02 ppm1 7.744 ppm2 3.895 CV 1 ASSI { 959} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.600 0.900 1.100 peak 959 weight 0.10000E+01 volume 0.25398E-02 ppm1 7.744 ppm2 4.493 CV 1 ASSI { 961} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA2 )) 2.600 0.800 1.000 peak 961 weight 0.10000E+01 volume 0.27774E-02 ppm1 7.743 ppm2 3.733 CV 1 ASSI { 1044} (( segid " " and resid 208 and name HN )) (( segid " " and resid 208 and name HD2 )) 3.500 1.500 1.700 peak 1044 weight 0.10000E+01 volume 0.43368E-03 ppm1 7.310 ppm2 3.187 CV 1 ASSI { 1042} (( segid " " and resid 208 and name HN )) (( segid " " and resid 208 and name HA )) 2.500 0.800 1.000 peak 1042 weight 0.10000E+01 volume 0.31040E-02 ppm1 7.309 ppm2 4.227 CV 1 ASSI { 1719} (( segid " " and resid 177 and name HN )) (( segid " " and resid 174 and name HA )) 2.900 1.100 1.300 peak 1719 weight 0.10000E+01 volume 0.13416E-02 ppm1 8.361 ppm2 4.560 CV 1 ASSI { 1005} (( segid " " and resid 177 and name HN )) (( segid " " and resid 178 and name HN )) 2.700 0.900 1.100 peak 1005 weight 0.10000E+01 volume 0.20644E-02 ppm1 8.352 ppm2 7.733 CV 1 ASSI { 1726} (( segid " " and resid 186 and name HN )) (( segid " " and resid 183 and name HA )) 2.500 2.500 3.500 peak 1726 weight 0.10000E+01 volume 0.31437E-02 ppm1 8.465 ppm2 4.089 CV 1 ASSI { 1035} (( segid " " and resid 201 and name HN )) (( segid " " and resid 199 and name HA )) 2.800 2.800 3.200 peak 1035 weight 0.10000E+01 volume 0.15694E-02 ppm1 7.922 ppm2 4.613 CV 1 ASSI { 1036} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HA )) 2.900 1.000 1.200 peak 1036 weight 0.10000E+01 volume 0.14654E-02 ppm1 7.922 ppm2 4.032 CV 1 ASSI { 1879} (( segid " " and resid 201 and name HN )) (( segid " " and resid 199 and name HB )) 2.300 0.600 0.800 peak 1879 weight 0.10000E+01 volume 0.60893E-02 ppm1 7.924 ppm2 4.832 CV 1 ASSI { 1086} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) 2.200 0.600 0.800 peak 1086 weight 0.10000E+01 volume 0.80201E-02 ppm1 8.642 ppm2 4.339 CV 1 ASSI { 1084} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.400 0.700 0.900 peak 1084 weight 0.10000E+01 volume 0.37873E-02 ppm1 8.080 ppm2 4.056 CV 1 ASSI { 1850} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HA )) 2.700 0.900 1.100 peak 1850 weight 0.10000E+01 volume 0.20397E-02 ppm1 8.650 ppm2 4.701 CV 1 ASSI { 1900} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 1.900 1.900 4.100 peak 1900 weight 0.10000E+01 volume 0.15348E-01 ppm1 8.439 ppm2 4.742 CV 1 ASSI { 1834} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.300 0.700 0.900 peak 1834 weight 0.10000E+01 volume 0.50992E-02 ppm1 8.448 ppm2 4.362 CV 1 ASSI { 1127} (( segid " " and resid 181 and name HN )) (( segid " " and resid 178 and name HA )) 3.000 1.100 1.300 peak 1127 weight 0.10000E+01 volume 0.11535E-02 ppm1 7.640 ppm2 4.530 CV 1 ASSI { 1103} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HB2 )) 3.100 3.100 2.900 peak 1103 weight 0.10000E+01 volume 0.93073E-03 ppm1 9.595 ppm2 2.933 CV 1 ASSI { 1104} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HB1 )) 2.900 1.100 1.300 peak 1104 weight 0.10000E+01 volume 0.13318E-02 ppm1 9.595 ppm2 3.137 CV 1 ASSI { 1106} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HA )) 2.800 1.000 1.200 peak 1106 weight 0.10000E+01 volume 0.17922E-02 ppm1 9.595 ppm2 4.611 CV 1 ASSI { 1105} (( segid " " and resid 199 and name HN )) (( segid " " and resid 202 and name HB1 )) 2.800 1.000 1.200 peak 1105 weight 0.10000E+01 volume 0.17822E-02 ppm1 9.594 ppm2 3.396 CV 1 ASSI { 1141} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HA )) 2.300 0.700 0.900 peak 1141 weight 0.10000E+01 volume 0.48418E-02 ppm1 9.595 ppm2 5.292 CV 1 ASSI { 1140} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HB )) 3.000 1.100 1.300 peak 1140 weight 0.10000E+01 volume 0.10842E-02 ppm1 9.595 ppm2 4.810 CV 1 ASSI { 1775} (( segid " " and resid 222 and name HN )) (( segid " " and resid 222 and name HA )) 2.800 1.000 1.200 peak 1775 weight 0.10000E+01 volume 0.16337E-02 ppm1 8.473 ppm2 3.909 CV 1 ASSI { 1158} (( segid " " and resid 222 and name HN )) (( segid " " and resid 222 and name HB2 )) 2.800 1.000 1.200 peak 1158 weight 0.10000E+01 volume 0.15348E-02 ppm1 8.467 ppm2 3.409 CV 1 ASSI { 1776} (( segid " " and resid 222 and name HN )) (( segid " " and resid 219 and name HA )) 3.100 1.200 1.400 peak 1776 weight 0.10000E+01 volume 0.93568E-03 ppm1 8.471 ppm2 3.750 CV 1 ASSI { 1774} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HA )) 3.200 1.300 1.500 peak 1774 weight 0.10000E+01 volume 0.76736E-03 ppm1 8.470 ppm2 4.050 CV 1 ASSI { 1773} (( segid " " and resid 222 and name HN )) (( segid " " and resid 218 and name HA )) 2.600 2.600 3.400 peak 1773 weight 0.10000E+01 volume 0.25298E-02 ppm1 8.468 ppm2 4.744 CV 1 ASSI { 1208} (( segid " " and resid 230 and name HN )) (( segid " " and resid 229 and name HA2 )) 2.300 0.600 0.800 peak 1208 weight 0.10000E+01 volume 0.61388E-02 ppm1 8.139 ppm2 3.960 CV 1 OR { 1208} (( segid " " and resid 230 and name HN )) (( segid " " and resid 229 and name HA1 )) ASSI { 1197} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 2.500 0.800 1.000 peak 1197 weight 0.10000E+01 volume 0.33170E-02 ppm1 8.027 ppm2 4.213 CV 1 ASSI { 1198} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 3.100 1.200 1.400 peak 1198 weight 0.10000E+01 volume 0.86142E-03 ppm1 8.027 ppm2 3.428 CV 1 ASSI { 1209} (( segid " " and resid 230 and name HN )) (( segid " " and resid 230 and name HA )) 2.600 0.900 1.100 peak 1209 weight 0.10000E+01 volume 0.24011E-02 ppm1 8.143 ppm2 4.487 CV 1 ASSI { 1730} (( segid " " and resid 190 and name HN )) (( segid " " and resid 187 and name HA )) 2.800 1.000 1.200 peak 1730 weight 0.10000E+01 volume 0.16486E-02 ppm1 8.127 ppm2 4.583 CV 1 ASSI { 1731} (( segid " " and resid 190 and name HN )) (( segid " " and resid 186 and name HA )) 2.500 2.500 3.500 peak 1731 weight 0.10000E+01 volume 0.34803E-02 ppm1 8.133 ppm2 4.052 CV 1 ASSI { 1227} (( segid " " and resid 190 and name HN )) (( segid " " and resid 190 and name HA )) 2.300 0.600 0.800 peak 1227 weight 0.10000E+01 volume 0.57428E-02 ppm1 8.132 ppm2 4.161 CV 1 ASSI { 1240} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA1 )) 2.800 1.000 1.200 peak 1240 weight 0.10000E+01 volume 0.15297E-02 ppm1 9.372 ppm2 4.008 CV 1 ASSI { 1233} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 3.500 1.600 1.600 peak 1233 weight 0.10000E+01 volume 0.44160E-03 ppm1 9.369 ppm2 8.392 CV 1 ASSI { 1854} (( segid " " and resid 131 and name HN )) (( segid " " and resid 162 and name HA )) 3.500 1.500 1.700 peak 1854 weight 0.10000E+01 volume 0.44952E-03 ppm1 9.369 ppm2 5.527 CV 1 ASSI { 1894} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.500 0.800 1.000 peak 1894 weight 0.10000E+01 volume 0.31091E-02 ppm1 9.373 ppm2 4.497 CV 1 ASSI { 1756} (( segid " " and resid 212 and name HN )) (( segid " " and resid 212 and name HA )) 2.600 0.900 1.100 peak 1756 weight 0.10000E+01 volume 0.24110E-02 ppm1 7.163 ppm2 3.995 CV 1 ASSI { 1264} (( segid " " and resid 212 and name HN )) (( segid " " and resid 209 and name HA )) 3.000 1.100 1.300 peak 1264 weight 0.10000E+01 volume 0.11288E-02 ppm1 7.158 ppm2 3.815 CV 1 ASSI { 1266} (( segid " " and resid 212 and name HN )) (( segid " " and resid 208 and name HA )) 3.500 1.600 1.600 peak 1266 weight 0.10000E+01 volume 0.41636E-03 ppm1 7.160 ppm2 4.215 CV 1 ASSI { 1263} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HA )) 3.000 1.100 1.300 peak 1263 weight 0.10000E+01 volume 0.11486E-02 ppm1 7.158 ppm2 3.605 CV 1 ASSI { 1283} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 2.700 0.900 1.100 peak 1283 weight 0.10000E+01 volume 0.19209E-02 ppm1 7.576 ppm2 4.333 CV 1 ASSI { 1282} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 2.900 1.000 1.200 peak 1282 weight 0.10000E+01 volume 0.14258E-02 ppm1 7.574 ppm2 4.078 CV 1 ASSI { 1709} (( segid " " and resid 153 and name HN )) (( segid " " and resid 150 and name HA )) 2.900 1.100 1.300 peak 1709 weight 0.10000E+01 volume 0.12674E-02 ppm1 7.582 ppm2 4.127 CV 1 ASSI { 1302} (( segid " " and resid 191 and name HN )) (( segid " " and resid 187 and name HA )) 3.000 1.200 1.400 peak 1302 weight 0.10000E+01 volume 0.10099E-02 ppm1 8.018 ppm2 4.603 CV 1 ASSI { 1313} (( segid " " and resid 188 and name HN )) (( segid " " and resid 184 and name HA )) 3.800 1.800 1.800 peak 1313 weight 0.10000E+01 volume 0.26931E-03 ppm1 8.356 ppm2 3.676 CV 1 ASSI { 1342} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB1 )) 3.300 1.400 1.600 peak 1342 weight 0.10000E+01 volume 0.59903E-03 ppm1 7.308 ppm2 3.601 CV 1 ASSI { 1345} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) 2.600 0.800 1.000 peak 1345 weight 0.10000E+01 volume 0.25942E-02 ppm1 7.305 ppm2 4.699 CV 1 ASSI { 1727} (( segid " " and resid 188 and name HN )) (( segid " " and resid 185 and name HA )) 2.600 2.600 3.400 peak 1727 weight 0.10000E+01 volume 0.26139E-02 ppm1 8.361 ppm2 4.068 CV 1 ASSI { 1826} (( segid " " and resid 132 and name HN )) (( segid " " and resid 160 and name HA )) 3.100 3.100 2.900 peak 1826 weight 0.10000E+01 volume 0.94063E-03 ppm1 8.376 ppm2 4.559 CV 1 ASSI { 1867} (( segid " " and resid 161 and name HN )) (( segid " " and resid 132 and name HA )) 2.900 2.900 3.100 peak 1867 weight 0.10000E+01 volume 0.14605E-02 ppm1 8.512 ppm2 4.409 CV 1 ASSI { 1422} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HN )) 3.600 1.600 1.600 peak 1422 weight 0.10000E+01 volume 0.41438E-03 ppm1 8.503 ppm2 7.294 CV 1 ASSI { 1839} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HA )) 2.300 0.600 0.800 peak 1839 weight 0.10000E+01 volume 0.57923E-02 ppm1 8.512 ppm2 4.550 CV 1 ASSI { 1425} (( segid " " and resid 161 and name HN )) (( segid " " and resid 131 and name HN )) 3.300 1.300 1.500 peak 1425 weight 0.10000E+01 volume 0.70300E-03 ppm1 8.509 ppm2 9.381 CV 1 ASSI { 1549} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA )) 2.400 0.700 0.900 peak 1549 weight 0.10000E+01 volume 0.43220E-02 ppm1 8.590 ppm2 5.527 CV 1 ASSI { 1550} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA )) 3.000 1.200 1.400 peak 1550 weight 0.10000E+01 volume 0.10000E-02 ppm1 8.593 ppm2 4.764 CV 1 ASSI { 1586} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA2 )) 2.100 0.500 0.700 peak 1586 weight 0.10000E+01 volume 0.10644E-01 ppm1 8.525 ppm2 3.867 CV 1 OR { 1586} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA1 )) ASSI { 1589} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.500 0.500 0.700 peak 1589 weight 0.10000E+01 volume 0.10743E-01 ppm1 8.525 ppm2 4.386 CV 1 ASSI { 1794} (( segid " " and resid 229 and name HN )) (( segid " " and resid 228 and name HA )) 2.200 2.200 3.800 peak 1794 weight 0.10000E+01 volume 0.61884E-02 ppm1 8.247 ppm2 4.249 CV 1 ASSI { 1613} (( segid " " and resid 229 and name HN )) (( segid " " and resid 229 and name HA1 )) 2.000 0.500 0.700 peak 1613 weight 0.10000E+01 volume 0.12921E-01 ppm1 8.247 ppm2 3.964 CV 1 OR { 1613} (( segid " " and resid 229 and name HN )) (( segid " " and resid 229 and name HA2 )) ASSI { 1821} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA1 )) 2.200 0.500 1.400 peak 1821 weight 0.10000E+01 volume 0.11734E-01 ppm1 8.345 ppm2 3.867 CV 1 ASSI { 1636} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA2 )) 2.200 2.200 3.800 peak 1636 weight 0.10000E+01 volume 0.72775E-02 ppm1 8.340 ppm2 3.727 CV 1 ASSI { 1820} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA1 )) 2.000 0.500 0.700 peak 1820 weight 0.10000E+01 volume 0.13119E-01 ppm1 8.345 ppm2 3.912 CV 1 ASSI { 412} (( segid " " and resid 160 and name HG2 )) (( segid " " and resid 160 and name HA )) 2.700 0.900 1.100 peak 412 weight 0.10000E+01 volume 0.77010E-02 ppm1 2.022 ppm2 4.532 CV 1 ASSI { 1019} (( segid " " and resid 160 and name HG2 )) (( segid " " and resid 160 and name HB2 )) 2.300 2.300 3.700 peak 1019 weight 0.10000E+01 volume 0.22129E-01 ppm1 2.028 ppm2 1.709 CV 1 ASSI { 537} (( segid " " and resid 223 and name HG1 )) (( segid " " and resid 223 and name HB2 )) 2.100 0.600 0.600 peak 537 weight 0.10000E+01 volume 0.76778E-01 ppm1 2.502 ppm2 2.126 CV 1 ASSI { 753} (( segid " " and resid 212 and name HG1 )) ( segid " " and resid 139 and name HG2%) 2.900 1.000 1.200 peak 753 weight 0.10000E+01 volume 0.59381E-02 ppm1 2.426 ppm2 -0.045 CV 1 OR { 753} (( segid " " and resid 212 and name HG2 )) ( segid " " and resid 139 and name HG2%) ASSI { 1252} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 151 and name HG2 )) 6.000 6.000 0.000 peak 1252 weight 0.10000E+01 volume -0.70978E-02 ppm1 0.897 ppm2 1.747 CV 1 ASSI { 934} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB1 )) 6.000 6.000 0.000 peak 934 weight 0.10000E+01 volume -0.15333E-01 ppm1 4.332 ppm2 2.154 CV 1 ASSI { 122} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HD2%) 6.000 6.000 0.000 peak 122 weight 0.10000E+01 volume -0.29458E-01 ppm1 4.392 ppm2 0.594 CV 1 ASSI { 1221} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HA )) 2.400 0.700 0.900 peak 1221 weight 0.10000E+01 volume 0.16330E-01 ppm1 1.752 ppm2 4.431 CV 1 ASSI { 731} (( segid " " and resid 213 and name HG1 )) (( segid " " and resid 213 and name HB1 )) 2.700 0.900 1.100 peak 731 weight 0.10000E+01 volume 0.83968E-02 ppm1 2.829 ppm2 2.150 CV 1 ASSI { 1336} (( segid " " and resid 158 and name HB2 )) ( segid " " and resid 191 and name HG2%) 2.800 2.800 3.200 peak 1336 weight 0.10000E+01 volume 0.61933E-02 ppm1 1.662 ppm2 0.958 CV 1 ASSI { 1001} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 158 and name HG1 )) 2.000 2.000 4.000 peak 1001 weight 0.10000E+01 volume 0.44536E-01 ppm1 1.656 ppm2 1.522 CV 1 ASSI { 205} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 158 and name HB1 )) 2.000 0.500 0.700 peak 205 weight 0.10000E+01 volume 0.43376E-01 ppm1 1.648 ppm2 2.430 CV 1 ASSI { 1196} (( segid " " and resid 134 and name HA )) ( segid " " and resid 133 and name HB% ) 6.000 6.000 0.000 peak 1196 weight 0.10000E+01 volume -0.52190E-02 ppm1 4.753 ppm2 1.310 CV 1 ASSI { 1203} (( segid " " and resid 134 and name HG1 )) (( segid " " and resid 134 and name HB1 )) 2.200 2.200 3.800 peak 1203 weight 0.10000E+01 volume 0.30155E-01 ppm1 2.497 ppm2 2.039 CV 1 ASSI { 1039} (( segid " " and resid 164 and name HA )) (( segid " " and resid 165 and name HD1 )) 6.000 6.000 0.000 peak 1039 weight 0.10000E+01 volume -0.17930E-01 ppm1 4.617 ppm2 3.631 CV 1 ASSI { 706} (( segid " " and resid 215 and name HG12)) (( segid " " and resid 215 and name HA )) 2.800 1.000 1.200 peak 706 weight 0.10000E+01 volume 0.63092E-02 ppm1 0.855 ppm2 3.572 CV 1 ASSI { 704} (( segid " " and resid 215 and name HG12)) ( segid " " and resid 176 and name HG1%) 2.600 0.800 1.000 peak 704 weight 0.10000E+01 volume 0.10647E-01 ppm1 0.849 ppm2 1.072 CV 1 ASSI { 565} (( segid " " and resid 228 and name HB2 )) (( segid " " and resid 228 and name HD1 )) 2.500 0.800 1.000 peak 565 weight 0.10000E+01 volume 0.12711E-01 ppm1 1.825 ppm2 3.147 CV 1 OR { 565} (( segid " " and resid 228 and name HB2 )) (( segid " " and resid 228 and name HD2 )) ASSI { 1035} ( segid " " and resid 162 and name HE% ) (( segid " " and resid 125 and name HB2 )) 3.100 3.100 2.900 peak 1035 weight 0.10000E+01 volume 0.62861E-02 ppm1 6.768 ppm2 1.629 CV 1 ASSI { 368} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HG1 )) 2.100 0.500 0.700 peak 368 weight 0.10000E+01 volume 0.39200E-01 ppm1 2.164 ppm2 2.551 CV 1 ASSI { 1166} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 182 and name HG11)) 2.900 1.000 1.200 peak 1166 weight 0.10000E+01 volume 0.89072E-02 ppm1 6.670 ppm2 0.884 CV 1 OR { 1166} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 182 and name HG12)) ASSI { 944} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB2 )) 2.300 0.700 0.900 peak 944 weight 0.10000E+01 volume 0.20366E-01 ppm1 2.153 ppm2 1.354 CV 1 ASSI { 373} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 154 and name HB1 )) 2.700 0.900 1.100 peak 373 weight 0.10000E+01 volume 0.80953E-02 ppm1 2.548 ppm2 1.666 CV 1 ASSI { 371} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 154 and name HB2 )) 2.600 0.800 1.000 peak 371 weight 0.10000E+01 volume 0.10762E-01 ppm1 2.553 ppm2 1.335 CV 1 ASSI { 372} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB1 )) 2.600 0.800 1.000 peak 372 weight 0.10000E+01 volume 0.11413E-01 ppm1 2.159 ppm2 1.641 CV 1 ASSI { 1167} ( segid " " and resid 128 and name HE% ) ( segid " " and resid 182 and name HD1%) 3.000 1.100 1.300 peak 1167 weight 0.10000E+01 volume 0.73298E-02 ppm1 6.668 ppm2 0.423 CV 1 ASSI { 876} ( segid " " and resid 145 and name HE% ) ( segid " " and resid 145 and name HD% ) 2.000 0.500 0.700 peak 876 weight 0.10000E+01 volume 0.14056E+00 ppm1 6.771 ppm2 7.067 CV 1 ASSI { 1315} (( segid " " and resid 184 and name HG12)) (( segid " " and resid 184 and name HG11)) 2.100 0.600 0.800 peak 1315 weight 0.10000E+01 volume 0.36649E-01 ppm1 1.864 ppm2 1.128 CV 1 ASSI { 599} ( segid " " and resid 226 and name HE% ) (( segid " " and resid 226 and name HB2 )) 3.000 3.000 3.000 peak 599 weight 0.10000E+01 volume 0.74226E-02 ppm1 6.867 ppm2 2.937 CV 1 ASSI { 1303} ( segid " " and resid 150 and name HE% ) (( segid " " and resid 151 and name HD1 )) 3.200 1.300 1.500 peak 1303 weight 0.10000E+01 volume 0.48711E-02 ppm1 7.002 ppm2 3.365 CV 1 ASSI { 598} ( segid " " and resid 226 and name HE% ) ( segid " " and resid 226 and name HD% ) 2.000 0.500 0.700 peak 598 weight 0.10000E+01 volume 0.13082E+00 ppm1 6.860 ppm2 7.204 CV 1 ASSI { 681} ( segid " " and resid 218 and name HE% ) (( segid " " and resid 172 and name HB1 )) 3.000 3.000 3.000 peak 681 weight 0.10000E+01 volume 0.72603E-02 ppm1 6.579 ppm2 2.930 CV 1 ASSI { 921} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 151 and name HB2 )) 1.800 0.400 0.600 peak 921 weight 0.10000E+01 volume 0.10252E+00 ppm1 2.087 ppm2 1.965 CV 1 ASSI { 919} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 151 and name HD2 )) 3.200 0.900 1.100 peak 919 weight 0.10000E+01 volume 0.73298E-02 ppm1 1.965 ppm2 3.291 CV 1 ASSI { 918} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 151 and name HA )) 2.500 0.800 1.000 peak 918 weight 0.10000E+01 volume 0.12641E-01 ppm1 1.969 ppm2 3.942 CV 1 ASSI { 316} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 149 and name HA )) 2.700 0.900 1.100 peak 316 weight 0.10000E+01 volume 0.79097E-02 ppm1 1.895 ppm2 3.841 CV 1 ASSI { 987} ( segid " " and resid 157 and name HE% ) (( segid " " and resid 157 and name HB2 )) 3.200 1.300 1.500 peak 987 weight 0.10000E+01 volume 0.50335E-02 ppm1 6.554 ppm2 3.115 CV 1 OR { 987} ( segid " " and resid 157 and name HE% ) (( segid " " and resid 157 and name HB1 )) ASSI { 986} ( segid " " and resid 157 and name HE% ) (( segid " " and resid 205 and name HB2 )) 3.000 1.100 1.300 peak 986 weight 0.10000E+01 volume 0.68196E-02 ppm1 6.553 ppm2 1.959 CV 1 ASSI { 985} ( segid " " and resid 157 and name HE% ) (( segid " " and resid 205 and name HB1 )) 3.100 3.100 2.900 peak 985 weight 0.10000E+01 volume 0.55206E-02 ppm1 6.553 ppm2 2.301 CV 1 ASSI { 635} (( segid " " and resid 221 and name HB1 )) (( segid " " and resid 221 and name HB2 )) 2.200 0.600 0.800 peak 635 weight 0.10000E+01 volume 0.31314E-01 ppm1 2.038 ppm2 1.708 CV 1 ASSI { 838} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 207 and name HG1 )) 2.500 0.800 1.000 peak 838 weight 0.10000E+01 volume 0.12479E-01 ppm1 2.213 ppm2 2.527 CV 1 ASSI { 581} (( segid " " and resid 227 and name HB2 )) (( segid " " and resid 227 and name HG1 )) 1.800 1.800 4.200 peak 581 weight 0.10000E+01 volume 0.10508E+00 ppm1 2.067 ppm2 2.371 CV 1 OR { 581} (( segid " " and resid 227 and name HB2 )) (( segid " " and resid 227 and name HG2 )) ASSI { 1239} (( segid " " and resid 137 and name HD1 )) (( segid " " and resid 134 and name HB2 )) 6.000 6.000 0.000 peak 1239 weight 0.10000E+01 volume -0.64716E-02 ppm1 3.942 ppm2 1.992 CV 1 ASSI { 352} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HD2 )) 2.600 0.800 1.000 peak 352 weight 0.10000E+01 volume 0.11111E-01 ppm1 2.045 ppm2 3.300 CV 1 ASSI { 349} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 151 and name HD2 )) 2.500 0.800 1.000 peak 349 weight 0.10000E+01 volume 0.12688E-01 ppm1 1.748 ppm2 3.305 CV 1 ASSI { 1308} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HA )) 2.600 2.600 3.400 peak 1308 weight 0.10000E+01 volume 0.99741E-02 ppm1 2.064 ppm2 3.958 CV 1 ASSI { 1040} (( segid " " and resid 165 and name HD2 )) (( segid " " and resid 165 and name HD1 )) 6.000 6.000 0.000 peak 1040 weight 0.10000E+01 volume -0.10415E+00 ppm1 3.492 ppm2 3.586 CV 1 ASSI { 621} (( segid " " and resid 223 and name HB2 )) (( segid " " and resid 220 and name HA )) 2.500 0.800 1.000 peak 621 weight 0.10000E+01 volume 0.14567E-01 ppm1 2.123 ppm2 3.979 CV 1 ASSI { 1081} (( segid " " and resid 186 and name HB2 )) (( segid " " and resid 186 and name HA )) 2.500 0.800 1.000 peak 1081 weight 0.10000E+01 volume 0.12317E-01 ppm1 1.893 ppm2 4.049 CV 1 ASSI { 744} (( segid " " and resid 212 and name HB2 )) (( segid " " and resid 212 and name HA )) 2.500 0.800 1.000 peak 744 weight 0.10000E+01 volume 0.12503E-01 ppm1 2.150 ppm2 3.990 CV 1 ASSI { 321} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HA )) 2.600 2.600 3.400 peak 321 weight 0.10000E+01 volume 0.10160E-01 ppm1 1.749 ppm2 4.014 CV 1 ASSI { 902} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HG2 )) 1.900 0.400 0.600 peak 902 weight 0.10000E+01 volume 0.72834E-01 ppm1 1.748 ppm2 1.541 CV 1 ASSI { 1230} (( segid " " and resid 137 and name HG2 )) ( segid " " and resid 139 and name HD1%) 2.800 1.000 1.200 peak 1230 weight 0.10000E+01 volume 0.64484E-02 ppm1 2.025 ppm2 0.473 CV 1 ASSI { 1226} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HA )) 2.600 2.600 3.400 peak 1226 weight 0.10000E+01 volume 0.11320E-01 ppm1 2.027 ppm2 4.433 CV 1 ASSI { 1228} (( segid " " and resid 137 and name HG2 )) ( segid " " and resid 209 and name HG1%) 2.600 0.800 1.000 peak 1228 weight 0.10000E+01 volume 0.10925E-01 ppm1 2.028 ppm2 1.312 CV 1 ASSI { 973} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name HG1 )) 2.400 0.700 0.900 peak 973 weight 0.10000E+01 volume 0.18348E-01 ppm1 0.286 ppm2 1.385 CV 1 ASSI { 1002} (( segid " " and resid 158 and name HG1 )) (( segid " " and resid 158 and name HD1 )) 2.700 0.900 1.100 peak 1002 weight 0.10000E+01 volume 0.85128E-02 ppm1 1.515 ppm2 3.176 CV 1 ASSI { 231} (( segid " " and resid 138 and name HG12)) (( segid " " and resid 138 and name HG11)) 1.800 0.400 0.600 peak 231 weight 0.10000E+01 volume 0.10345E+00 ppm1 1.393 ppm2 1.599 CV 1 ASSI { 229} (( segid " " and resid 158 and name HG1 )) ( segid " " and resid 210 and name HG2%) 2.500 2.500 3.500 peak 229 weight 0.10000E+01 volume 0.11830E-01 ppm1 1.520 ppm2 0.947 CV 1 ASSI { 976} (( segid " " and resid 138 and name HG12)) (( segid " " and resid 138 and name HA )) 2.600 0.800 1.000 peak 976 weight 0.10000E+01 volume 0.10392E-01 ppm1 1.389 ppm2 4.147 CV 1 ASSI { 648} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 220 and name HG2 )) 1.900 0.400 0.600 peak 648 weight 0.10000E+01 volume 0.69819E-01 ppm1 1.842 ppm2 1.624 CV 1 ASSI { 642} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 220 and name HA )) 2.600 0.900 1.100 peak 642 weight 0.10000E+01 volume 0.98350E-02 ppm1 1.848 ppm2 3.988 CV 1 ASSI { 863} (( segid " " and resid 139 and name HG11)) (( segid " " and resid 139 and name HG12)) 1.900 0.400 0.600 peak 863 weight 0.10000E+01 volume 0.79561E-01 ppm1 0.907 ppm2 0.786 CV 1 ASSI { 452} (( segid " " and resid 165 and name HG1 )) (( segid " " and resid 165 and name HB2 )) 2.900 1.100 1.300 peak 452 weight 0.10000E+01 volume 0.51959E-02 ppm1 1.953 ppm2 2.150 CV 1 ASSI { 451} (( segid " " and resid 165 and name HG1 )) (( segid " " and resid 165 and name HG2 )) 1.900 0.400 0.600 peak 451 weight 0.10000E+01 volume 0.68891E-01 ppm1 1.953 ppm2 1.847 CV 1 ASSI { 138} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HB2 )) 2.400 0.700 0.900 peak 138 weight 0.10000E+01 volume 0.17930E-01 ppm1 0.696 ppm2 1.624 CV 1 ASSI { 776} ( segid " " and resid 210 and name HG2%) ( segid " " and resid 213 and name HE% ) 2.300 0.600 0.800 peak 776 weight 0.10000E+01 volume 0.24587E-01 ppm1 0.957 ppm2 1.897 CV 1 ASSI { 774} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 210 and name HA )) 2.100 0.500 0.700 peak 774 weight 0.10000E+01 volume 0.39200E-01 ppm1 0.957 ppm2 3.667 CV 1 ASSI { 778} ( segid " " and resid 210 and name HG2%) ( segid " " and resid 183 and name HG2%) 2.100 0.600 0.800 peak 778 weight 0.10000E+01 volume 0.35954E-01 ppm1 0.959 ppm2 1.494 CV 1 ASSI { 803} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 157 and name HD% ) 3.000 3.000 3.000 peak 803 weight 0.10000E+01 volume 0.75387E-02 ppm1 1.323 ppm2 6.872 CV 1 ASSI { 1302} ( segid " " and resid 150 and name HD% ) (( segid " " and resid 151 and name HB2 )) 6.000 6.000 0.000 peak 1302 weight 0.10000E+01 volume -0.51959E-02 ppm1 7.521 ppm2 1.994 CV 1 ASSI { 1339} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 134 and name HG1 )) 2.700 2.700 3.300 peak 1339 weight 0.10000E+01 volume 0.76778E-02 ppm1 0.937 ppm2 2.490 CV 1 ASSI { 1028} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 183 and name HB )) 2.800 1.000 1.200 peak 1028 weight 0.10000E+01 volume 0.62628E-02 ppm1 0.951 ppm2 4.504 CV 1 ASSI { 423} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 213 and name HB1 )) 2.200 0.600 0.800 peak 423 weight 0.10000E+01 volume 0.31314E-01 ppm1 0.950 ppm2 2.158 CV 1 ASSI { 422} ( segid " " and resid 161 and name HG1%) ( segid " " and resid 183 and name HG2%) 2.300 0.600 0.800 peak 422 weight 0.10000E+01 volume 0.24356E-01 ppm1 0.950 ppm2 1.479 CV 1 ASSI { 1027} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 210 and name HA )) 2.700 0.900 1.100 peak 1027 weight 0.10000E+01 volume 0.74226E-02 ppm1 0.947 ppm2 3.662 CV 1 ASSI { 144} ( segid " " and resid 125 and name HD2%) (( segid " " and resid 125 and name HG )) 2.300 0.700 0.900 peak 144 weight 0.10000E+01 volume 0.19693E-01 ppm1 0.595 ppm2 1.515 CV 1 ASSI { 1340} ( segid " " and resid 161 and name HG1%) ( segid " " and resid 210 and name HG1%) 2.300 0.700 0.900 peak 1340 weight 0.10000E+01 volume 0.20667E-01 ppm1 0.948 ppm2 1.232 CV 1 ASSI { 427} ( segid " " and resid 162 and name HD% ) (( segid " " and resid 162 and name HB1 )) 6.000 6.000 0.000 peak 427 weight 0.10000E+01 volume -0.76778E-02 ppm1 6.930 ppm2 2.598 CV 1 ASSI { 765} (( segid " " and resid 210 and name HA )) (( segid " " and resid 210 and name HB )) 2.500 0.800 1.000 peak 765 weight 0.10000E+01 volume 0.12851E-01 ppm1 3.669 ppm2 2.245 CV 1 ASSI { 523} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 183 and name HB )) 2.100 0.500 0.700 peak 523 weight 0.10000E+01 volume 0.40128E-01 ppm1 1.480 ppm2 4.498 CV 1 ASSI { 977} (( segid " " and resid 156 and name HD1 )) (( segid " " and resid 156 and name HG1 )) 6.000 6.000 0.000 peak 977 weight 0.10000E+01 volume -0.89304E-02 ppm1 3.258 ppm2 1.383 CV 1 ASSI { 658} (( segid " " and resid 220 and name HD1 )) (( segid " " and resid 220 and name HD2 )) 6.000 6.000 0.000 peak 658 weight 0.10000E+01 volume -0.13059E+00 ppm1 3.089 ppm2 2.947 CV 1 ASSI { 693} ( segid " " and resid 216 and name HG2%) (( segid " " and resid 216 and name HA )) 2.100 0.500 0.700 peak 693 weight 0.10000E+01 volume 0.39897E-01 ppm1 1.235 ppm2 3.961 CV 1 ASSI { 657} (( segid " " and resid 220 and name HD1 )) ( segid " " and resid 134 and name HE% ) 6.000 6.000 0.000 peak 657 weight 0.10000E+01 volume -0.79097E-02 ppm1 3.078 ppm2 2.157 CV 1 ASSI { 1312} (( segid " " and resid 151 and name HD2 )) (( segid " " and resid 148 and name HA )) 6.000 6.000 0.000 peak 1312 weight 0.10000E+01 volume -0.65644E-02 ppm1 3.293 ppm2 4.027 CV 1 ASSI { 926} (( segid " " and resid 151 and name HD1 )) (( segid " " and resid 151 and name HA )) 6.000 6.000 0.000 peak 926 weight 0.10000E+01 volume -0.98814E-02 ppm1 3.389 ppm2 3.916 CV 1 ASSI { 441} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 127 and name HA1 )) 6.000 6.000 0.000 peak 441 weight 0.10000E+01 volume -0.73298E-02 ppm1 2.885 ppm2 3.903 CV 1 OR { 441} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 127 and name HA1 )) ASSI { 132} (( segid " " and resid 125 and name HB1 )) ( segid " " and resid 125 and name HD2%) 6.000 6.000 0.000 peak 132 weight 0.10000E+01 volume -0.76546E-02 ppm1 1.550 ppm2 0.598 CV 1 ASSI { 831} (( segid " " and resid 208 and name HD1 )) (( segid " " and resid 208 and name HB1 )) 6.000 6.000 0.000 peak 831 weight 0.10000E+01 volume -0.51263E-02 ppm1 3.255 ppm2 2.124 CV 1 ASSI { 1155} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 170 and name HA )) 2.300 0.700 0.900 peak 1155 weight 0.10000E+01 volume 0.20575E-01 ppm1 3.858 ppm2 4.480 CV 1 ASSI { 719} (( segid " " and resid 214 and name HB2 )) ( segid " " and resid 176 and name HG2%) 6.000 6.000 0.000 peak 719 weight 0.10000E+01 volume -0.18650E-01 ppm1 2.907 ppm2 1.052 CV 1 ASSI { 990} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HD2 )) 2.900 1.100 1.300 peak 990 weight 0.10000E+01 volume 0.52190E-02 ppm1 4.351 ppm2 3.066 CV 1 ASSI { 489} (( segid " " and resid 178 and name HB1 )) (( segid " " and resid 178 and name HA )) 6.000 6.000 0.000 peak 489 weight 0.10000E+01 volume -0.14544E-01 ppm1 2.861 ppm2 4.561 CV 1 ASSI { 1153} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HA )) 2.200 0.600 0.800 peak 1153 weight 0.10000E+01 volume 0.30386E-01 ppm1 3.823 ppm2 4.353 CV 1 ASSI { 907} (( segid " " and resid 150 and name HA )) (( segid " " and resid 154 and name HG2 )) 2.900 2.900 3.100 peak 907 weight 0.10000E+01 volume 0.52422E-02 ppm1 4.134 ppm2 2.159 CV 1 ASSI { 286} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 197 and name HA )) 6.000 6.000 0.000 peak 286 weight 0.10000E+01 volume -0.31083E-01 ppm1 2.608 ppm2 4.660 CV 1 ASSI { 52} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 213 and name HB1 )) 2.300 0.700 0.900 peak 52 weight 0.10000E+01 volume 0.20806E-01 ppm1 0.768 ppm2 2.153 CV 1 ASSI { 77} (( segid " " and resid 137 and name HA )) ( segid " " and resid 209 and name HG2%) 2.200 2.200 3.800 peak 77 weight 0.10000E+01 volume 0.25979E-01 ppm1 4.445 ppm2 1.290 CV 1 ASSI { 891} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 147 and name HB2 )) 6.000 6.000 0.000 peak 891 weight 0.10000E+01 volume -0.56134E-01 ppm1 3.033 ppm2 2.879 CV 1 ASSI { 1288} (( segid " " and resid 175 and name HA )) (( segid " " and resid 166 and name HG2 )) 6.000 6.000 0.000 peak 1288 weight 0.10000E+01 volume -0.14474E-01 ppm1 2.982 ppm2 3.199 CV 1 ASSI { 1067} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 216 and name HA )) 2.800 2.800 3.200 peak 1067 weight 0.10000E+01 volume 0.62397E-02 ppm1 2.164 ppm2 3.984 CV 1 ASSI { 1214} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 220 and name HG2 )) 2.400 2.400 3.600 peak 1214 weight 0.10000E+01 volume 0.15146E-01 ppm1 2.163 ppm2 1.624 CV 1 ASSI { 1061} ( segid " " and resid 134 and name HE% ) ( segid " " and resid 216 and name HG2%) 1.900 0.400 0.600 peak 1061 weight 0.10000E+01 volume 0.73995E-01 ppm1 2.162 ppm2 1.239 CV 1 ASSI { 1063} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 134 and name HG2 )) 1.900 0.500 0.700 peak 1063 weight 0.10000E+01 volume 0.65876E-01 ppm1 2.162 ppm2 2.454 CV 1 ASSI { 945} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 151 and name HA )) 2.200 2.200 3.800 peak 945 weight 0.10000E+01 volume 0.29227E-01 ppm1 2.031 ppm2 3.941 CV 1 ASSI { 1325} ( segid " " and resid 154 and name HE% ) ( segid " " and resid 150 and name HD% ) 3.200 1.300 1.500 peak 1325 weight 0.10000E+01 volume 0.50103E-02 ppm1 2.033 ppm2 7.547 CV 1 ASSI { 1253} (( segid " " and resid 139 and name HB )) ( segid " " and resid 150 and name HE% ) 6.000 6.000 0.000 peak 1253 weight 0.10000E+01 volume -0.50335E-02 ppm1 0.858 ppm2 7.012 CV 1 ASSI { 239} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HB )) 2.000 2.000 4.000 peak 239 weight 0.10000E+01 volume 0.53814E-01 ppm1 0.735 ppm2 0.875 CV 1 ASSI { 859} (( segid " " and resid 139 and name HB )) ( segid " " and resid 141 and name HE% ) 6.000 6.000 0.000 peak 859 weight 0.10000E+01 volume -0.79330E-02 ppm1 0.856 ppm2 6.885 CV 1 ASSI { 256} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 141 and name HZ )) 2.900 1.000 1.200 peak 256 weight 0.10000E+01 volume 0.87216E-02 ppm1 -0.034 ppm2 6.745 CV 1 ASSI { 253} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 205 and name HG2 )) 2.700 2.700 3.300 peak 253 weight 0.10000E+01 volume 0.84665E-02 ppm1 -0.035 ppm2 2.151 CV 1 ASSI { 171} ( segid " " and resid 129 and name HE% ) (( segid " " and resid 129 and name HB1 )) 2.200 0.600 0.800 peak 171 weight 0.10000E+01 volume 0.32011E-01 ppm1 1.997 ppm2 1.557 CV 1 ASSI { 462} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 222 and name HA )) 2.000 0.500 0.700 peak 462 weight 0.10000E+01 volume 0.45927E-01 ppm1 1.605 ppm2 3.935 CV 1 ASSI { 1129} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 166 and name HB2 )) 2.000 2.000 4.000 peak 1129 weight 0.10000E+01 volume 0.44999E-01 ppm1 1.606 ppm2 1.795 CV 1 ASSI { 459} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 225 and name HB1 )) 2.400 0.700 0.900 peak 459 weight 0.10000E+01 volume 0.16353E-01 ppm1 1.603 ppm2 3.015 CV 1 ASSI { 27} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB )) 2.700 0.900 1.100 peak 27 weight 0.10000E+01 volume 0.92551E-02 ppm1 4.156 ppm2 1.922 CV 1 ASSI { 739} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 159 and name HA )) 2.200 0.600 0.800 peak 739 weight 0.10000E+01 volume 0.30155E-01 ppm1 1.897 ppm2 4.706 CV 1 ASSI { 552} (( segid " " and resid 231 and name HA )) (( segid " " and resid 231 and name HB1 )) 2.400 0.700 0.900 peak 552 weight 0.10000E+01 volume 0.16422E-01 ppm1 4.303 ppm2 3.862 CV 1 OR { 552} (( segid " " and resid 231 and name HA )) (( segid " " and resid 231 and name HB2 )) ASSI { 1147} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HB2 )) 2.600 0.900 1.100 peak 1147 weight 0.10000E+01 volume 0.96494E-02 ppm1 3.576 ppm2 2.606 CV 1 ASSI { 722} (( segid " " and resid 213 and name HA )) (( segid " " and resid 213 and name HG1 )) 2.500 0.800 1.000 peak 722 weight 0.10000E+01 volume 0.12851E-01 ppm1 4.159 ppm2 2.850 CV 1 ASSI { 344} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HD2 )) 2.800 1.000 1.200 peak 344 weight 0.10000E+01 volume 0.70747E-02 ppm1 3.949 ppm2 3.305 CV 1 ASSI { 713} (( segid " " and resid 214 and name HA )) (( segid " " and resid 214 and name HB2 )) 2.600 0.900 1.100 peak 713 weight 0.10000E+01 volume 0.10160E-01 ppm1 4.417 ppm2 2.896 CV 1 ASSI { 881} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB1 )) 2.300 0.700 0.900 peak 881 weight 0.10000E+01 volume 0.20993E-01 ppm1 3.585 ppm2 1.976 CV 1 ASSI { 723} (( segid " " and resid 213 and name HA )) (( segid " " and resid 213 and name HB1 )) 2.100 0.600 0.800 peak 723 weight 0.10000E+01 volume 0.33634E-01 ppm1 4.159 ppm2 2.147 CV 1 ASSI { 882} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HB2 )) 2.200 2.200 3.800 peak 882 weight 0.10000E+01 volume 0.25979E-01 ppm1 3.577 ppm2 1.619 CV 1 ASSI { 346} (( segid " " and resid 151 and name HA )) (( segid " " and resid 154 and name HG1 )) 2.800 1.000 1.200 peak 346 weight 0.10000E+01 volume 0.67268E-02 ppm1 3.931 ppm2 2.553 CV 1 ASSI { 721} (( segid " " and resid 213 and name HA )) (( segid " " and resid 213 and name HG2 )) 2.400 0.700 0.900 peak 721 weight 0.10000E+01 volume 0.15796E-01 ppm1 4.165 ppm2 2.488 CV 1 ASSI { 897} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB1 )) 2.000 0.500 0.700 peak 897 weight 0.10000E+01 volume 0.49407E-01 ppm1 4.020 ppm2 1.920 CV 1 OR { 897} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB2 )) ASSI { 1267} (( segid " " and resid 141 and name HA )) ( segid " " and resid 141 and name HD% ) 3.100 3.100 2.900 peak 1267 weight 0.10000E+01 volume 0.57062E-02 ppm1 4.355 ppm2 7.329 CV 1 ASSI { 586} (( segid " " and resid 226 and name HA )) (( segid " " and resid 226 and name HB2 )) 2.300 0.700 0.900 peak 586 weight 0.10000E+01 volume 0.20621E-01 ppm1 4.380 ppm2 2.943 CV 1 ASSI { 493} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name HB2 )) 2.400 0.700 0.900 peak 493 weight 0.10000E+01 volume 0.16863E-01 ppm1 4.753 ppm2 2.995 CV 1 ASSI { 492} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name HB1 )) 2.700 0.900 1.100 peak 492 weight 0.10000E+01 volume 0.85824E-02 ppm1 4.741 ppm2 3.368 CV 1 ASSI { 216} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 159 and name HB2 )) 6.000 6.000 0.000 peak 216 weight 0.10000E+01 volume -0.16399E-01 ppm1 1.996 ppm2 2.468 CV 1 ASSI { 1201} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HG2 )) 6.000 6.000 0.000 peak 1201 weight 0.10000E+01 volume -0.18904E-01 ppm1 2.037 ppm2 2.423 CV 1 ASSI { 308} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB1 )) 2.600 0.800 1.000 peak 308 weight 0.10000E+01 volume 0.11459E-01 ppm1 4.690 ppm2 3.034 CV 1 ASSI { 307} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB2 )) 2.400 0.700 0.900 peak 307 weight 0.10000E+01 volume 0.16956E-01 ppm1 4.690 ppm2 2.872 CV 1 ASSI { 819} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HB1 )) 2.200 0.600 0.800 peak 819 weight 0.10000E+01 volume 0.32242E-01 ppm1 4.237 ppm2 2.123 CV 1 ASSI { 1247} (( segid " " and resid 138 and name HB )) (( segid " " and resid 138 and name HG11)) 6.000 6.000 0.000 peak 1247 weight 0.10000E+01 volume -0.12851E-01 ppm1 1.914 ppm2 1.591 CV 1 ASSI { 555} (( segid " " and resid 128 and name HA )) (( segid " " and resid 127 and name HA1 )) 2.200 2.200 3.800 peak 555 weight 0.10000E+01 volume 0.32242E-01 ppm1 4.500 ppm2 3.891 CV 1 ASSI { 146} (( segid " " and resid 128 and name HA )) (( segid " " and resid 164 and name HG2 )) 2.700 0.900 1.100 peak 146 weight 0.10000E+01 volume 0.92551E-02 ppm1 4.497 ppm2 1.175 CV 1 OR { 146} (( segid " " and resid 128 and name HA )) (( segid " " and resid 164 and name HG1 )) ASSI { 761} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 211 and name HA )) 6.000 6.000 0.000 peak 761 weight 0.10000E+01 volume -0.15471E-01 ppm1 2.130 ppm2 3.635 CV 1 OR { 761} (( segid " " and resid 211 and name HG2 )) (( segid " " and resid 211 and name HA )) ASSI { 1} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB1 )) 2.200 0.600 0.800 peak 1 weight 0.10000E+01 volume 0.24820E-01 ppm1 4.505 ppm2 2.866 CV 1 OR { 1} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB2 )) ASSI { 80} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB1 )) 1.900 0.500 0.700 peak 80 weight 0.10000E+01 volume 0.60077E-01 ppm1 4.066 ppm2 1.892 CV 1 OR { 80} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB2 )) ASSI { 928} (( segid " " and resid 221 and name HA )) (( segid " " and resid 221 and name HG2 )) 2.100 0.500 0.700 peak 928 weight 0.10000E+01 volume 0.40592E-01 ppm1 4.066 ppm2 2.218 CV 1 ASSI { 85} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HB2 )) 2.400 0.700 0.900 peak 85 weight 0.10000E+01 volume 0.15843E-01 ppm1 4.597 ppm2 2.660 CV 1 ASSI { 3} ( segid " " and resid 215 and name HD1%) (( segid " " and resid 215 and name HA )) 2.500 2.500 3.500 peak 3 weight 0.10000E+01 volume 0.12294E-01 ppm1 0.851 ppm2 3.576 CV 1 ASSI { 380} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB2 )) 2.400 0.700 0.900 peak 380 weight 0.10000E+01 volume 0.18696E-01 ppm1 4.224 ppm2 3.027 CV 1 ASSI { 675} (( segid " " and resid 219 and name HG2 )) (( segid " " and resid 219 and name HB2 )) 6.000 6.000 0.000 peak 675 weight 0.10000E+01 volume -0.39200E-01 ppm1 2.366 ppm2 2.081 CV 1 ASSI { 97} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HG1 )) 2.400 0.600 1.000 peak 97 weight 0.10000E+01 volume 0.28530E-01 ppm1 4.684 ppm2 3.304 CV 1 ASSI { 96} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HG2 )) 2.000 0.500 0.700 peak 96 weight 0.10000E+01 volume 0.43376E-01 ppm1 4.684 ppm2 3.203 CV 1 ASSI { 425} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB1 )) 2.400 0.700 0.900 peak 425 weight 0.10000E+01 volume 0.15471E-01 ppm1 5.547 ppm2 2.602 CV 1 ASSI { 22} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB2 )) 2.400 0.700 0.900 peak 22 weight 0.10000E+01 volume 0.15471E-01 ppm1 5.544 ppm2 2.573 CV 1 ASSI { 978} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 158 and name HG1 )) 6.000 6.000 0.000 peak 978 weight 0.10000E+01 volume -0.53350E-02 ppm1 3.120 ppm2 1.506 CV 1 OR { 978} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 158 and name HG1 )) ASSI { 278} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HB1 )) 2.100 0.500 0.700 peak 278 weight 0.10000E+01 volume 0.39433E-01 ppm1 4.806 ppm2 3.930 CV 1 ASSI { 277} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HB2 )) 2.000 0.500 0.700 peak 277 weight 0.10000E+01 volume 0.44072E-01 ppm1 4.807 ppm2 4.126 CV 1 ASSI { 1276} (( segid " " and resid 143 and name HA )) (( segid " " and resid 142 and name HA2 )) 2.800 2.800 3.200 peak 1276 weight 0.10000E+01 volume 0.70978E-02 ppm1 4.789 ppm2 3.807 CV 1 ASSI { 1262} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 141 and name HZ )) 2.900 2.900 3.100 peak 1262 weight 0.10000E+01 volume 0.88144E-02 ppm1 0.474 ppm2 6.760 CV 1 ASSI { 104} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 139 and name HG12)) 2.100 0.500 0.700 peak 104 weight 0.10000E+01 volume 0.43144E-01 ppm1 0.478 ppm2 0.773 CV 1 ASSI { 386} (( segid " " and resid 227 and name HA )) (( segid " " and resid 227 and name HB1 )) 2.100 0.500 0.700 peak 386 weight 0.10000E+01 volume 0.40825E-01 ppm1 4.238 ppm2 2.127 CV 1 ASSI { 387} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HG1 )) 2.300 0.700 0.900 peak 387 weight 0.10000E+01 volume 0.20134E-01 ppm1 4.137 ppm2 1.386 CV 1 ASSI { 928} (( segid " " and resid 182 and name HB )) (( segid " " and resid 182 and name HN )) 2.600 0.900 1.100 peak 928 weight 0.10000E+01 volume 0.10054E-01 ppm1 1.600 ppm2 8.750 CV 1 ASSI { 882} (( segid " " and resid 178 and name HA )) (( segid " " and resid 178 and name HN )) 6.000 6.000 0.000 peak 882 weight 0.10000E+01 volume -0.11595E-01 ppm1 4.564 ppm2 7.735 CV 1 ASSI { 346} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HN )) 3.100 1.200 1.400 peak 346 weight 0.10000E+01 volume 0.37864E-02 ppm1 2.033 ppm2 8.728 CV 1 ASSI { 345} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HN )) 3.100 1.200 1.400 peak 345 weight 0.10000E+01 volume 0.34540E-02 ppm1 1.985 ppm2 8.719 CV 1 ASSI { 932} (( segid " " and resid 182 and name HB )) ( segid " " and resid 182 and name HD1%) 2.500 0.800 1.000 peak 932 weight 0.10000E+01 volume 0.85944E-02 ppm1 1.602 ppm2 0.435 CV 1 ASSI { 1605} (( segid " " and resid 221 and name HG2 )) (( segid " " and resid 221 and name HN )) 2.900 1.100 1.300 peak 1605 weight 0.10000E+01 volume 0.54566E-02 ppm1 2.202 ppm2 8.462 CV 1 ASSI { 1606} (( segid " " and resid 221 and name HG1 )) (( segid " " and resid 221 and name HN )) 3.000 1.100 1.300 peak 1606 weight 0.10000E+01 volume 0.44107E-02 ppm1 2.395 ppm2 8.459 CV 1 ASSI { 1286} (( segid " " and resid 207 and name HG1 )) (( segid " " and resid 204 and name HA )) 2.800 1.000 1.200 peak 1286 weight 0.10000E+01 volume 0.42405E-02 ppm1 2.519 ppm2 4.128 CV 1 ASSI { 43} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 187 and name HD2 )) 6.000 6.000 0.000 peak 43 weight 0.10000E+01 volume -0.70944E-02 ppm1 1.343 ppm2 6.961 CV 1 ASSI { 200} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 203 and name HN )) 6.000 6.000 0.000 peak 200 weight 0.10000E+01 volume -0.71106E-02 ppm1 1.347 ppm2 8.216 CV 1 ASSI { 199} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 206 and name HN )) 6.000 6.000 0.000 peak 199 weight 0.10000E+01 volume -0.90809E-02 ppm1 1.345 ppm2 8.713 CV 1 ASSI { 647} (( segid " " and resid 152 and name HG1 )) (( segid " " and resid 152 and name HB2 )) 2.100 0.500 0.700 peak 647 weight 0.10000E+01 volume 0.27000E-01 ppm1 2.221 ppm2 1.900 CV 1 OR { 647} (( segid " " and resid 152 and name HG1 )) (( segid " " and resid 152 and name HB1 )) ASSI { 411} (( segid " " and resid 138 and name HB )) ( segid " " and resid 138 and name HD1%) 2.600 0.800 1.000 peak 411 weight 0.10000E+01 volume 0.65026E-02 ppm1 1.923 ppm2 0.902 CV 1 ASSI { 1699} (( segid " " and resid 228 and name HA )) (( segid " " and resid 228 and name HN )) 6.000 6.000 0.000 peak 1699 weight 0.10000E+01 volume -0.24405E-01 ppm1 4.277 ppm2 7.976 CV 1 ASSI { 1405} (( segid " " and resid 211 and name HG2 )) (( segid " " and resid 211 and name HN )) 2.800 1.000 1.200 peak 1405 weight 0.10000E+01 volume 0.72890E-02 ppm1 2.117 ppm2 8.025 CV 1 ASSI { 1406} (( segid " " and resid 211 and name HG2 )) (( segid " " and resid 212 and name HN )) 3.000 1.200 1.400 peak 1406 weight 0.10000E+01 volume 0.42891E-02 ppm1 2.120 ppm2 7.175 CV 1 ASSI { 1113} (( segid " " and resid 196 and name HG2 )) (( segid " " and resid 196 and name HN )) 2.900 2.900 3.100 peak 1113 weight 0.10000E+01 volume 0.52539E-02 ppm1 1.951 ppm2 7.583 CV 1 ASSI { 1115} (( segid " " and resid 196 and name HG2 )) (( segid " " and resid 197 and name HN )) 3.000 1.200 1.400 peak 1115 weight 0.10000E+01 volume 0.42729E-02 ppm1 1.961 ppm2 8.487 CV 1 ASSI { 1689} (( segid " " and resid 227 and name HA )) (( segid " " and resid 227 and name HN )) 6.000 6.000 0.000 peak 1689 weight 0.10000E+01 volume -0.14594E-01 ppm1 4.244 ppm2 7.873 CV 1 ASSI { 1114} (( segid " " and resid 196 and name HG1 )) (( segid " " and resid 196 and name HN )) 3.000 3.000 3.000 peak 1114 weight 0.10000E+01 volume 0.49377E-02 ppm1 2.076 ppm2 7.570 CV 1 ASSI { 1116} (( segid " " and resid 196 and name HG1 )) (( segid " " and resid 197 and name HN )) 2.700 0.900 1.100 peak 1116 weight 0.10000E+01 volume 0.81890E-02 ppm1 2.087 ppm2 8.473 CV 1 ASSI { 1556} (( segid " " and resid 219 and name HG2 )) (( segid " " and resid 216 and name HA )) 2.900 2.900 3.100 peak 1556 weight 0.10000E+01 volume 0.36891E-02 ppm1 2.345 ppm2 3.972 CV 1 ASSI { 1554} (( segid " " and resid 219 and name HG2 )) (( segid " " and resid 219 and name HA )) 2.400 0.700 0.900 peak 1554 weight 0.10000E+01 volume 0.98106E-02 ppm1 2.343 ppm2 3.752 CV 1 ASSI { 1559} (( segid " " and resid 219 and name HG1 )) ( segid " " and resid 215 and name HG2%) 2.800 1.000 1.200 peak 1559 weight 0.10000E+01 volume 0.43053E-02 ppm1 2.605 ppm2 0.915 CV 1 ASSI { 1560} (( segid " " and resid 219 and name HG1 )) (( segid " " and resid 219 and name HB2 )) 2.200 0.600 0.800 peak 1560 weight 0.10000E+01 volume 0.16135E-01 ppm1 2.614 ppm2 2.080 CV 1 ASSI { 1552} (( segid " " and resid 219 and name HG2 )) (( segid " " and resid 219 and name HN )) 2.600 0.900 1.100 peak 1552 weight 0.10000E+01 volume 0.10134E-01 ppm1 2.346 ppm2 8.319 CV 1 ASSI { 1553} (( segid " " and resid 219 and name HG1 )) (( segid " " and resid 219 and name HN )) 2.600 2.600 3.400 peak 1553 weight 0.10000E+01 volume 0.10378E-01 ppm1 2.616 ppm2 8.318 CV 1 ASSI { 1076} (( segid " " and resid 194 and name HA )) (( segid " " and resid 194 and name HN )) 6.000 6.000 0.000 peak 1076 weight 0.10000E+01 volume -0.13864E-01 ppm1 4.404 ppm2 7.643 CV 1 ASSI { 1075} (( segid " " and resid 194 and name HA )) (( segid " " and resid 195 and name HN )) 6.000 6.000 0.000 peak 1075 weight 0.10000E+01 volume -0.11837E-01 ppm1 4.408 ppm2 8.006 CV 1 ASSI { 696} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HD2 )) 6.000 6.000 0.000 peak 696 weight 0.10000E+01 volume -0.31945E-02 ppm1 4.138 ppm2 3.099 CV 1 ASSI { 845} (( segid " " and resid 174 and name HA )) (( segid " " and resid 178 and name HN )) 6.000 6.000 0.000 peak 845 weight 0.10000E+01 volume -0.32593E-02 ppm1 4.570 ppm2 7.732 CV 1 ASSI { 1102} (( segid " " and resid 196 and name HA )) (( segid " " and resid 197 and name HB1 )) 6.000 6.000 0.000 peak 1102 weight 0.10000E+01 volume -0.44674E-02 ppm1 4.261 ppm2 2.656 CV 1 ASSI { 1099} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HN )) 6.000 6.000 0.000 peak 1099 weight 0.10000E+01 volume -0.15567E-01 ppm1 4.254 ppm2 7.583 CV 1 ASSI { 1488} ( segid " " and resid 215 and name HD1%) (( segid " " and resid 216 and name HN )) 6.000 6.000 0.000 peak 1488 weight 0.10000E+01 volume -0.33242E-02 ppm1 0.861 ppm2 8.147 CV 1 ASSI { 1487} ( segid " " and resid 215 and name HD1%) (( segid " " and resid 215 and name HN )) 6.000 6.000 0.000 peak 1487 weight 0.10000E+01 volume -0.91620E-02 ppm1 0.858 ppm2 8.358 CV 1 ASSI { 1489} ( segid " " and resid 215 and name HD1%) (( segid " " and resid 212 and name HE22)) 6.000 6.000 0.000 peak 1489 weight 0.10000E+01 volume -0.67296E-02 ppm1 0.857 ppm2 6.910 CV 1 ASSI { 279} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 130 and name HN )) 2.900 1.000 1.200 peak 279 weight 0.10000E+01 volume 0.57972E-02 ppm1 1.565 ppm2 8.080 CV 1 ASSI { 778} (( segid " " and resid 160 and name HG2 )) ( segid " " and resid 130 and name HD2%) 2.900 1.000 1.200 peak 778 weight 0.10000E+01 volume 0.35269E-02 ppm1 2.035 ppm2 0.038 CV 1 ASSI { 1248} (( segid " " and resid 205 and name HG1 )) (( segid " " and resid 205 and name HB2 )) 2.600 0.800 1.000 peak 1248 weight 0.10000E+01 volume 0.72323E-02 ppm1 2.944 ppm2 1.964 CV 1 ASSI { 777} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 205 and name HA )) 2.500 0.800 1.000 peak 777 weight 0.10000E+01 volume 0.74268E-02 ppm1 2.163 ppm2 4.159 CV 1 ASSI { 771} (( segid " " and resid 160 and name HG2 )) (( segid " " and resid 160 and name HE21)) 3.200 1.200 1.400 peak 771 weight 0.10000E+01 volume 0.33972E-02 ppm1 2.041 ppm2 7.901 CV 1 ASSI { 1646} (( segid " " and resid 223 and name HG1 )) (( segid " " and resid 223 and name HA )) 2.700 0.700 0.900 peak 1646 weight 0.10000E+01 volume 0.10864E-01 ppm1 2.518 ppm2 4.140 CV 1 ASSI { 1641} (( segid " " and resid 223 and name HG1 )) (( segid " " and resid 223 and name HN )) 2.600 0.900 1.100 peak 1641 weight 0.10000E+01 volume 0.10216E-01 ppm1 2.515 ppm2 7.616 CV 1 ASSI { 1645} (( segid " " and resid 223 and name HG1 )) (( segid " " and resid 223 and name HE22)) 3.300 1.300 1.500 peak 1645 weight 0.10000E+01 volume 0.27810E-02 ppm1 2.508 ppm2 6.821 CV 1 ASSI { 1640} (( segid " " and resid 223 and name HG2 )) (( segid " " and resid 223 and name HN )) 2.600 2.600 3.400 peak 1640 weight 0.10000E+01 volume 0.10622E-01 ppm1 2.416 ppm2 7.599 CV 1 ASSI { 764} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 184 and name HA )) 6.000 6.000 0.000 peak 764 weight 0.10000E+01 volume -0.29351E-01 ppm1 0.786 ppm2 3.677 CV 1 ASSI { 1422} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 212 and name HE22)) 2.900 1.000 1.200 peak 1422 weight 0.10000E+01 volume 0.59837E-02 ppm1 2.453 ppm2 6.895 CV 1 OR { 1422} (( segid " " and resid 212 and name HG2 )) (( segid " " and resid 212 and name HE22)) ASSI { 1425} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 213 and name HN )) 3.100 1.200 1.400 peak 1425 weight 0.10000E+01 volume 0.36729E-02 ppm1 2.445 ppm2 8.229 CV 1 OR { 1425} (( segid " " and resid 212 and name HG2 )) (( segid " " and resid 213 and name HN )) ASSI { 1429} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 139 and name HG11)) 2.600 2.600 3.400 peak 1429 weight 0.10000E+01 volume 0.61134E-02 ppm1 2.451 ppm2 0.887 CV 1 ASSI { 1427} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 209 and name HA )) 2.800 1.000 1.200 peak 1427 weight 0.10000E+01 volume 0.42405E-02 ppm1 2.458 ppm2 3.834 CV 1 ASSI { 478} (( segid " " and resid 140 and name HA )) (( segid " " and resid 142 and name HN )) 6.000 6.000 0.000 peak 478 weight 0.10000E+01 volume -0.57972E-02 ppm1 4.934 ppm2 9.047 CV 1 ASSI { 759} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HE22)) 6.000 6.000 0.000 peak 759 weight 0.10000E+01 volume -0.28053E-02 ppm1 4.560 ppm2 6.982 CV 1 ASSI { 1016} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 186 and name HA )) 2.700 0.900 1.100 peak 1016 weight 0.10000E+01 volume 0.49701E-02 ppm1 1.670 ppm2 4.062 CV 1 ASSI { 1015} (( segid " " and resid 186 and name HG1 )) (( segid " " and resid 186 and name HN )) 2.800 2.800 3.200 peak 1015 weight 0.10000E+01 volume 0.74836E-02 ppm1 2.082 ppm2 8.471 CV 1 ASSI { 1652} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HN )) 6.000 6.000 0.000 peak 1652 weight 0.10000E+01 volume -0.50594E-02 ppm1 4.191 ppm2 7.908 CV 1 ASSI { 1651} (( segid " " and resid 224 and name HA )) (( segid " " and resid 224 and name HN )) 6.000 6.000 0.000 peak 1651 weight 0.10000E+01 volume -0.18891E-01 ppm1 4.187 ppm2 7.544 CV 1 ASSI { 1653} (( segid " " and resid 224 and name HA )) (( segid " " and resid 225 and name HN )) 6.000 6.000 0.000 peak 1653 weight 0.10000E+01 volume -0.73215E-02 ppm1 4.191 ppm2 8.073 CV 1 ASSI { 767} (( segid " " and resid 160 and name HB1 )) (( segid " " and resid 160 and name HN )) 3.300 1.400 1.600 peak 767 weight 0.10000E+01 volume 0.24729E-02 ppm1 1.996 ppm2 7.332 CV 1 ASSI { 766} (( segid " " and resid 160 and name HB1 )) (( segid " " and resid 160 and name HE21)) 3.300 1.400 1.600 peak 766 weight 0.10000E+01 volume 0.25459E-02 ppm1 1.989 ppm2 7.902 CV 1 ASSI { 269} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HN )) 6.000 6.000 0.000 peak 269 weight 0.10000E+01 volume -0.40702E-02 ppm1 4.550 ppm2 9.029 CV 1 ASSI { 270} (( segid " " and resid 129 and name HA )) (( segid " " and resid 130 and name HN )) 6.000 6.000 0.000 peak 270 weight 0.10000E+01 volume -0.24973E-01 ppm1 4.554 ppm2 8.079 CV 1 ASSI { 1236} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 205 and name HN )) 3.200 1.300 1.500 peak 1236 weight 0.10000E+01 volume 0.28783E-02 ppm1 2.323 ppm2 8.188 CV 1 ASSI { 1256} (( segid " " and resid 206 and name HB1 )) (( segid " " and resid 206 and name HN )) 3.000 1.100 1.300 peak 1256 weight 0.10000E+01 volume 0.47026E-02 ppm1 1.941 ppm2 8.717 CV 1 ASSI { 1260} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 206 and name HA )) 2.700 0.900 1.100 peak 1260 weight 0.10000E+01 volume 0.50918E-02 ppm1 1.939 ppm2 3.591 CV 1 ASSI { 1082} (( segid " " and resid 194 and name HB1 )) (( segid " " and resid 194 and name HN )) 2.800 1.000 1.200 peak 1082 weight 0.10000E+01 volume 0.68106E-02 ppm1 2.010 ppm2 7.653 CV 1 ASSI { 1433} (( segid " " and resid 213 and name HG2 )) (( segid " " and resid 213 and name HN )) 3.200 1.300 1.500 peak 1433 weight 0.10000E+01 volume 0.30648E-02 ppm1 2.491 ppm2 8.246 CV 1 ASSI { 1443} (( segid " " and resid 213 and name HG1 )) (( segid " " and resid 213 and name HB2 )) 2.600 0.900 1.100 peak 1443 weight 0.10000E+01 volume 0.64539E-02 ppm1 2.834 ppm2 2.171 CV 1 ASSI { 1434} (( segid " " and resid 213 and name HG1 )) (( segid " " and resid 213 and name HN )) 3.100 1.200 1.400 peak 1434 weight 0.10000E+01 volume 0.35269E-02 ppm1 2.842 ppm2 8.225 CV 1 ASSI { 392} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 138 and name HN )) 3.000 1.100 1.300 peak 392 weight 0.10000E+01 volume 0.47756E-02 ppm1 1.759 ppm2 8.657 CV 1 ASSI { 1339} (( segid " " and resid 209 and name HB )) (( segid " " and resid 141 and name HZ )) 3.100 3.100 2.900 peak 1339 weight 0.10000E+01 volume 0.39729E-02 ppm1 2.337 ppm2 6.697 CV 1 ASSI { 1009} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HN )) 2.900 1.100 1.300 peak 1009 weight 0.10000E+01 volume 0.56431E-02 ppm1 1.909 ppm2 8.492 CV 1 OR { 1009} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 186 and name HN )) ASSI { 1338} (( segid " " and resid 209 and name HB )) (( segid " " and resid 210 and name HN )) 3.000 1.100 1.300 peak 1338 weight 0.10000E+01 volume 0.46134E-02 ppm1 2.336 ppm2 9.107 CV 1 ASSI { 959} ( segid " " and resid 182 and name HD1%) ( segid " " and resid 128 and name HD% ) 6.000 6.000 0.000 peak 959 weight 0.10000E+01 volume -0.56269E-02 ppm1 0.435 ppm2 6.829 CV 1 ASSI { 957} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 183 and name HN )) 6.000 6.000 0.000 peak 957 weight 0.10000E+01 volume -0.29027E-02 ppm1 0.437 ppm2 8.193 CV 1 ASSI { 727} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 159 and name HN )) 3.100 1.200 1.400 peak 727 weight 0.10000E+01 volume 0.39405E-02 ppm1 2.426 ppm2 8.654 CV 1 ASSI { 282} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 129 and name HN )) 2.700 0.900 1.100 peak 282 weight 0.10000E+01 volume 0.92430E-02 ppm1 2.236 ppm2 9.016 CV 1 OR { 282} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 129 and name HN )) ASSI { 724} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 160 and name HN )) 3.100 1.200 1.400 peak 724 weight 0.10000E+01 volume 0.38350E-02 ppm1 1.642 ppm2 7.323 CV 1 ASSI { 725} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 160 and name HN )) 2.900 1.000 1.200 peak 725 weight 0.10000E+01 volume 0.57404E-02 ppm1 2.430 ppm2 7.328 CV 1 ASSI { 729} (( segid " " and resid 158 and name HB1 )) ( segid " " and resid 191 and name HG2%) 2.700 2.700 3.300 peak 729 weight 0.10000E+01 volume 0.51080E-02 ppm1 2.432 ppm2 0.975 CV 1 ASSI { 710} (( segid " " and resid 157 and name HA )) ( segid " " and resid 157 and name HE% ) 6.000 6.000 0.000 peak 710 weight 0.10000E+01 volume -0.38918E-02 ppm1 5.000 ppm2 6.549 CV 1 ASSI { 864} (( segid " " and resid 189 and name HB )) (( segid " " and resid 189 and name HA )) 2.400 0.700 0.900 peak 864 weight 0.10000E+01 volume 0.95674E-02 ppm1 2.243 ppm2 3.968 CV 1 ASSI { 817} (( segid " " and resid 204 and name HB1 )) (( segid " " and resid 205 and name HN )) 2.700 0.900 1.100 peak 817 weight 0.10000E+01 volume 0.82701E-02 ppm1 1.973 ppm2 8.180 CV 1 ASSI { 424} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 150 and name HD% ) 6.000 6.000 0.000 peak 424 weight 0.10000E+01 volume -0.24405E-02 ppm1 0.913 ppm2 7.530 CV 1 ASSI { 426} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 139 and name HN )) 6.000 6.000 0.000 peak 426 weight 0.10000E+01 volume -0.30648E-02 ppm1 0.905 ppm2 6.443 CV 1 ASSI { 1026} (( segid " " and resid 187 and name HB2 )) ( segid " " and resid 188 and name HG2%) 3.100 1.200 1.400 peak 1026 weight 0.10000E+01 volume 0.24648E-02 ppm1 3.187 ppm2 1.271 CV 1 ASSI { 1191} (( segid " " and resid 203 and name HB )) (( segid " " and resid 204 and name HN )) 2.900 2.900 3.100 peak 1191 weight 0.10000E+01 volume 0.62350E-02 ppm1 2.073 ppm2 7.584 CV 1 ASSI { 1192} (( segid " " and resid 203 and name HB )) (( segid " " and resid 203 and name HN )) 2.700 2.700 3.300 peak 1192 weight 0.10000E+01 volume 0.85134E-02 ppm1 2.084 ppm2 8.230 CV 1 ASSI { 1020} (( segid " " and resid 187 and name HB1 )) (( segid " " and resid 187 and name HN )) 3.000 1.100 1.300 peak 1020 weight 0.10000E+01 volume 0.48729E-02 ppm1 3.373 ppm2 8.385 CV 1 ASSI { 353} (( segid " " and resid 134 and name HG1 )) (( segid " " and resid 134 and name HN )) 2.900 1.100 1.300 peak 353 weight 0.10000E+01 volume 0.53674E-02 ppm1 2.500 ppm2 8.724 CV 1 ASSI { 352} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HN )) 2.900 1.100 1.300 peak 352 weight 0.10000E+01 volume 0.53593E-02 ppm1 2.442 ppm2 8.717 CV 1 ASSI { 354} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 135 and name HN )) 3.300 1.400 1.600 peak 354 weight 0.10000E+01 volume 0.26513E-02 ppm1 2.453 ppm2 8.436 CV 1 ASSI { 1104} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 197 and name HN )) 2.800 1.000 1.200 peak 1104 weight 0.10000E+01 volume 0.63566E-02 ppm1 1.590 ppm2 8.487 CV 1 ASSI { 1475} (( segid " " and resid 215 and name HG11)) (( segid " " and resid 215 and name HN )) 3.100 1.200 1.400 peak 1475 weight 0.10000E+01 volume 0.36729E-02 ppm1 2.001 ppm2 8.359 CV 1 ASSI { 1476} (( segid " " and resid 215 and name HG12)) (( segid " " and resid 215 and name HN )) 3.100 1.200 1.400 peak 1476 weight 0.10000E+01 volume 0.34783E-02 ppm1 0.858 ppm2 8.363 CV 1 ASSI { 1711} (( segid " " and resid 228 and name HB2 )) (( segid " " and resid 229 and name HN )) 3.300 1.400 1.600 peak 1711 weight 0.10000E+01 volume 0.26270E-02 ppm1 1.833 ppm2 8.273 CV 1 ASSI { 1714} (( segid " " and resid 228 and name HB2 )) (( segid " " and resid 228 and name HA )) 2.400 0.700 0.900 peak 1714 weight 0.10000E+01 volume 0.11513E-01 ppm1 1.829 ppm2 4.276 CV 1 ASSI { 1715} (( segid " " and resid 228 and name HB1 )) (( segid " " and resid 228 and name HA )) 2.400 0.700 0.900 peak 1715 weight 0.10000E+01 volume 0.11189E-01 ppm1 1.859 ppm2 4.266 CV 1 ASSI { 1709} (( segid " " and resid 228 and name HB1 )) (( segid " " and resid 228 and name HN )) 2.600 0.800 1.000 peak 1709 weight 0.10000E+01 volume 0.11919E-01 ppm1 1.854 ppm2 7.983 CV 1 ASSI { 1710} (( segid " " and resid 228 and name HB2 )) (( segid " " and resid 228 and name HN )) 2.600 0.900 1.100 peak 1710 weight 0.10000E+01 volume 0.10460E-01 ppm1 1.821 ppm2 7.968 CV 1 ASSI { 676} (( segid " " and resid 154 and name HG1 )) (( segid " " and resid 154 and name HA )) 3.000 1.100 1.300 peak 676 weight 0.10000E+01 volume 0.26756E-02 ppm1 2.565 ppm2 3.441 CV 1 ASSI { 682} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 151 and name HA )) 3.000 1.100 1.300 peak 682 weight 0.10000E+01 volume 0.28945E-02 ppm1 2.164 ppm2 3.951 CV 1 ASSI { 639} (( segid " " and resid 184 and name HG12)) (( segid " " and resid 184 and name HN )) 2.900 2.900 3.100 peak 639 weight 0.10000E+01 volume 0.58539E-02 ppm1 1.867 ppm2 8.497 CV 1 ASSI { 988} (( segid " " and resid 184 and name HG11)) ( segid " " and resid 184 and name HD1%) 2.500 0.800 1.000 peak 988 weight 0.10000E+01 volume 0.81079E-02 ppm1 1.128 ppm2 0.794 CV 1 ASSI { 989} (( segid " " and resid 184 and name HG11)) ( segid " " and resid 184 and name HG2%) 2.500 0.800 1.000 peak 989 weight 0.10000E+01 volume 0.87565E-02 ppm1 1.123 ppm2 0.899 CV 1 ASSI { 546} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 146 and name HN )) 3.000 1.200 1.400 peak 546 weight 0.10000E+01 volume 0.41756E-02 ppm1 1.984 ppm2 7.752 CV 1 ASSI { 986} (( segid " " and resid 184 and name HG12)) (( segid " " and resid 184 and name HA )) 2.500 0.800 1.000 peak 986 weight 0.10000E+01 volume 0.79781E-02 ppm1 1.869 ppm2 3.676 CV 1 ASSI { 1295} (( segid " " and resid 208 and name HB1 )) (( segid " " and resid 208 and name HN )) 2.700 0.900 1.100 peak 1295 weight 0.10000E+01 volume 0.84322E-02 ppm1 2.121 ppm2 7.330 CV 1 ASSI { 572} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 153 and name HD21)) 3.000 1.100 1.300 peak 572 weight 0.10000E+01 volume 0.49053E-02 ppm1 1.893 ppm2 6.806 CV 1 ASSI { 623} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 151 and name HN )) 3.100 1.200 1.400 peak 623 weight 0.10000E+01 volume 0.41432E-02 ppm1 2.084 ppm2 7.955 CV 1 ASSI { 377} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 136 and name HN )) 3.000 1.100 1.300 peak 377 weight 0.10000E+01 volume 0.46296E-02 ppm1 1.752 ppm2 8.652 CV 1 ASSI { 483} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 140 and name HN )) 2.900 1.100 1.300 peak 483 weight 0.10000E+01 volume 0.51323E-02 ppm1 3.318 ppm2 8.233 CV 1 ASSI { 1146} (( segid " " and resid 221 and name HB2 )) (( segid " " and resid 221 and name HN )) 2.700 0.900 1.100 peak 1146 weight 0.10000E+01 volume 0.81890E-02 ppm1 1.730 ppm2 8.449 CV 1 ASSI { 1091} (( segid " " and resid 200 and name HD1 )) (( segid " " and resid 204 and name HN )) 3.200 3.200 2.800 peak 1091 weight 0.10000E+01 volume 0.28865E-02 ppm1 1.688 ppm2 7.623 CV 1 OR { 1091} (( segid " " and resid 200 and name HD2 )) (( segid " " and resid 204 and name HN )) ASSI { 741} (( segid " " and resid 158 and name HD2 )) ( segid " " and resid 157 and name HD% ) 6.000 6.000 0.000 peak 741 weight 0.10000E+01 volume -0.25377E-02 ppm1 3.065 ppm2 6.887 CV 1 ASSI { 742} (( segid " " and resid 158 and name HD2 )) ( segid " " and resid 191 and name HG2%) 6.000 6.000 0.000 peak 742 weight 0.10000E+01 volume -0.30162E-02 ppm1 3.067 ppm2 0.948 CV 1 ASSI { 502} (( segid " " and resid 207 and name HB2 )) (( segid " " and resid 208 and name HN )) 3.000 1.200 1.400 peak 502 weight 0.10000E+01 volume 0.41837E-02 ppm1 2.006 ppm2 7.329 CV 1 ASSI { 1401} (( segid " " and resid 211 and name HB2 )) (( segid " " and resid 211 and name HN )) 3.000 1.100 1.300 peak 1401 weight 0.10000E+01 volume 0.48404E-02 ppm1 2.158 ppm2 8.017 CV 1 ASSI { 1279} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 208 and name HN )) 3.100 1.200 1.400 peak 1279 weight 0.10000E+01 volume 0.40458E-02 ppm1 2.230 ppm2 7.331 CV 1 ASSI { 1282} (( segid " " and resid 207 and name HB2 )) (( segid " " and resid 204 and name HA )) 3.000 1.200 1.200 peak 1282 weight 0.10000E+01 volume 0.45485E-02 ppm1 1.990 ppm2 4.137 CV 1 ASSI { 1277} (( segid " " and resid 207 and name HB2 )) (( segid " " and resid 207 and name HN )) 2.800 1.000 1.200 peak 1277 weight 0.10000E+01 volume 0.70458E-02 ppm1 1.998 ppm2 8.506 CV 1 ASSI { 1278} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 207 and name HN )) 2.800 1.000 1.200 peak 1278 weight 0.10000E+01 volume 0.67539E-02 ppm1 2.227 ppm2 8.510 CV 1 ASSI { 1544} (( segid " " and resid 227 and name HB1 )) (( segid " " and resid 227 and name HN )) 2.600 0.900 1.100 peak 1544 weight 0.10000E+01 volume 0.10134E-01 ppm1 2.150 ppm2 7.892 CV 1 ASSI { 1542} (( segid " " and resid 219 and name HB1 )) (( segid " " and resid 219 and name HN )) 2.900 1.000 1.200 peak 1542 weight 0.10000E+01 volume 0.56999E-02 ppm1 2.359 ppm2 8.312 CV 1 ASSI { 876} (( segid " " and resid 177 and name HB2 )) (( segid " " and resid 178 and name HN )) 3.100 1.200 1.400 peak 876 weight 0.10000E+01 volume 0.36972E-02 ppm1 3.351 ppm2 7.742 CV 1 ASSI { 875} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 177 and name HN )) 2.800 1.000 1.200 peak 875 weight 0.10000E+01 volume 0.74836E-02 ppm1 3.385 ppm2 8.370 CV 1 ASSI { 877} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 178 and name HN )) 3.400 1.100 1.300 peak 877 weight 0.10000E+01 volume 0.46377E-02 ppm1 3.387 ppm2 7.743 CV 1 ASSI { 626} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HN )) 3.000 1.100 1.300 peak 626 weight 0.10000E+01 volume 0.49863E-02 ppm1 2.042 ppm2 7.942 CV 1 ASSI { 1012} (( segid " " and resid 186 and name HB1 )) (( segid " " and resid 186 and name HN )) 2.800 1.000 1.200 peak 1012 weight 0.10000E+01 volume 0.65755E-02 ppm1 1.988 ppm2 8.465 CV 1 ASSI { 1529} (( segid " " and resid 217 and name HB2 )) ( segid " " and resid 161 and name HG2%) 2.900 1.000 1.200 peak 1529 weight 0.10000E+01 volume 0.34783E-02 ppm1 2.303 ppm2 0.774 CV 1 ASSI { 1048} (( segid " " and resid 190 and name HB )) ( segid " " and resid 189 and name HG2%) 2.600 2.600 3.400 peak 1048 weight 0.10000E+01 volume 0.59269E-02 ppm1 4.286 ppm2 0.975 CV 1 ASSI { 1046} (( segid " " and resid 190 and name HB )) (( segid " " and resid 190 and name HN )) 2.500 0.800 1.000 peak 1046 weight 0.10000E+01 volume 0.12973E-01 ppm1 4.285 ppm2 8.103 CV 1 ASSI { 1414} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 212 and name HN )) 2.800 1.000 1.200 peak 1414 weight 0.10000E+01 volume 0.66647E-02 ppm1 2.226 ppm2 7.180 CV 1 ASSI { 1417} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 213 and name HN )) 3.100 1.200 1.400 peak 1417 weight 0.10000E+01 volume 0.35351E-02 ppm1 2.232 ppm2 8.230 CV 1 ASSI { 1416} (( segid " " and resid 212 and name HB2 )) (( segid " " and resid 213 and name HN )) 3.200 1.300 1.500 peak 1416 weight 0.10000E+01 volume 0.32189E-02 ppm1 2.153 ppm2 8.227 CV 1 ASSI { 1073} (( segid " " and resid 193 and name HB )) (( segid " " and resid 194 and name HN )) 2.700 0.900 1.100 peak 1073 weight 0.10000E+01 volume 0.85134E-02 ppm1 4.327 ppm2 7.646 CV 1 ASSI { 1062} (( segid " " and resid 192 and name HB )) (( segid " " and resid 193 and name HN )) 2.700 0.900 1.100 peak 1062 weight 0.10000E+01 volume 0.82701E-02 ppm1 4.376 ppm2 7.861 CV 1 ASSI { 1072} (( segid " " and resid 193 and name HB )) (( segid " " and resid 193 and name HN )) 2.500 0.800 1.000 peak 1072 weight 0.10000E+01 volume 0.13784E-01 ppm1 4.330 ppm2 7.858 CV 1 ASSI { 1415} (( segid " " and resid 212 and name HB2 )) (( segid " " and resid 212 and name HN )) 2.900 1.000 1.200 peak 1415 weight 0.10000E+01 volume 0.56837E-02 ppm1 2.166 ppm2 7.174 CV 1 ASSI { 1031} (( segid " " and resid 188 and name HB )) (( segid " " and resid 188 and name HN )) 2.700 2.700 3.300 peak 1031 weight 0.10000E+01 volume 0.89997E-02 ppm1 4.473 ppm2 8.364 CV 1 ASSI { 1155} (( segid " " and resid 201 and name HB )) (( segid " " and resid 199 and name HB )) 2.600 2.600 3.400 peak 1155 weight 0.10000E+01 volume 0.62107E-02 ppm1 3.730 ppm2 4.789 CV 1 ASSI { 968} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HN )) 3.000 1.100 1.300 peak 968 weight 0.10000E+01 volume 0.50350E-02 ppm1 4.092 ppm2 8.215 CV 1 ASSI { 415} (( segid " " and resid 156 and name HG1 )) (( segid " " and resid 156 and name HN )) 3.200 1.200 1.400 peak 415 weight 0.10000E+01 volume 0.33972E-02 ppm1 1.394 ppm2 7.571 CV 1 ASSI { 414} (( segid " " and resid 138 and name HG11)) (( segid " " and resid 138 and name HN )) 2.900 1.100 1.300 peak 414 weight 0.10000E+01 volume 0.52377E-02 ppm1 1.597 ppm2 8.648 CV 1 ASSI { 1716} (( segid " " and resid 228 and name HG1 )) (( segid " " and resid 228 and name HN )) 2.900 1.000 1.200 peak 1716 weight 0.10000E+01 volume 0.57648E-02 ppm1 1.698 ppm2 7.977 CV 1 ASSI { 1570} (( segid " " and resid 228 and name HG2 )) (( segid " " and resid 228 and name HN )) 2.800 2.800 3.200 peak 1570 weight 0.10000E+01 volume 0.76215E-02 ppm1 1.641 ppm2 7.971 CV 1 ASSI { 1571} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 220 and name HN )) 3.000 1.100 1.300 peak 1571 weight 0.10000E+01 volume 0.48161E-02 ppm1 1.858 ppm2 7.950 CV 1 ASSI { 703} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name HN )) 3.200 1.300 1.500 peak 703 weight 0.10000E+01 volume 0.32593E-02 ppm1 0.276 ppm2 7.566 CV 1 ASSI { 735} (( segid " " and resid 125 and name HG )) (( segid " " and resid 125 and name HA )) 3.600 1.000 1.200 peak 735 weight 0.10000E+01 volume 0.36648E-02 ppm1 1.523 ppm2 4.377 CV 1 ASSI { 1569} (( segid " " and resid 220 and name HG1 )) (( segid " " and resid 220 and name HE )) 2.600 0.900 1.100 peak 1569 weight 0.10000E+01 volume 0.62026E-02 ppm1 1.842 ppm2 7.268 CV 1 ASSI { 1302} (( segid " " and resid 208 and name HG1 )) (( segid " " and resid 208 and name HN )) 2.700 2.700 3.300 peak 1302 weight 0.10000E+01 volume 0.93241E-02 ppm1 1.824 ppm2 7.325 CV 1 ASSI { 1307} (( segid " " and resid 208 and name HG2 )) (( segid " " and resid 208 and name HD1 )) 2.600 0.900 1.100 peak 1307 weight 0.10000E+01 volume 0.58863E-02 ppm1 1.775 ppm2 3.262 CV 1 ASSI { 1309} (( segid " " and resid 208 and name HG2 )) (( segid " " and resid 208 and name HD2 )) 2.600 0.800 1.000 peak 1309 weight 0.10000E+01 volume 0.71268E-02 ppm1 1.770 ppm2 3.174 CV 1 ASSI { 1311} (( segid " " and resid 208 and name HG2 )) ( segid " " and resid 139 and name HG2%) 2.900 1.100 1.300 peak 1311 weight 0.10000E+01 volume 0.32999E-02 ppm1 1.768 ppm2 -0.029 CV 1 ASSI { 442} (( segid " " and resid 139 and name HG11)) (( segid " " and resid 139 and name HN )) 3.000 1.100 1.300 peak 442 weight 0.10000E+01 volume 0.44270E-02 ppm1 0.913 ppm2 6.465 CV 1 ASSI { 862} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HB )) 2.900 1.000 1.200 peak 862 weight 0.10000E+01 volume 0.36161E-02 ppm1 3.532 ppm2 2.244 CV 1 ASSI { 858} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HN )) 3.200 1.300 1.500 peak 858 weight 0.10000E+01 volume 0.32999E-02 ppm1 3.523 ppm2 8.970 CV 1 ASSI { 443} (( segid " " and resid 139 and name HG12)) (( segid " " and resid 139 and name HN )) 3.300 1.400 1.600 peak 443 weight 0.10000E+01 volume 0.26513E-02 ppm1 0.793 ppm2 6.462 CV 1 ASSI { 861} (( segid " " and resid 176 and name HA )) (( segid " " and resid 214 and name HB2 )) 2.600 0.800 1.000 peak 861 weight 0.10000E+01 volume 0.67620E-02 ppm1 3.525 ppm2 2.901 CV 1 ASSI { 297} ( segid " " and resid 130 and name HD1%) (( segid " " and resid 160 and name HE21)) 3.000 1.100 1.300 peak 297 weight 0.10000E+01 volume 0.48404E-02 ppm1 0.623 ppm2 7.912 CV 1 ASSI { 1148} (( segid " " and resid 201 and name HA )) (( segid " " and resid 201 and name HN )) 2.800 1.000 1.200 peak 1148 weight 0.10000E+01 volume 0.72404E-02 ppm1 3.819 ppm2 7.930 CV 1 ASSI { 1470} (( segid " " and resid 215 and name HA )) (( segid " " and resid 218 and name HB1 )) 2.700 0.900 1.100 peak 1470 weight 0.10000E+01 volume 0.51648E-02 ppm1 3.586 ppm2 3.124 CV 1 ASSI { 1471} (( segid " " and resid 215 and name HA )) (( segid " " and resid 218 and name HB2 )) 2.800 1.000 1.200 peak 1471 weight 0.10000E+01 volume 0.44918E-02 ppm1 3.588 ppm2 2.734 CV 1 ASSI { 1467} (( segid " " and resid 215 and name HA )) (( segid " " and resid 215 and name HN )) 2.800 1.000 1.200 peak 1467 weight 0.10000E+01 volume 0.68593E-02 ppm1 3.590 ppm2 8.355 CV 1 ASSI { 1472} (( segid " " and resid 215 and name HA )) ( segid " " and resid 176 and name HG2%) 2.500 2.500 3.500 peak 1472 weight 0.10000E+01 volume 0.82701E-02 ppm1 3.588 ppm2 1.077 CV 1 ASSI { 248} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 126 and name HN )) 6.000 6.000 0.000 peak 248 weight 0.10000E+01 volume -0.23432E-01 ppm1 3.873 ppm2 8.525 CV 1 ASSI { 254} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 126 and name HA1 )) 6.000 6.000 0.000 peak 254 weight 0.10000E+01 volume -0.10298E+00 ppm1 3.866 ppm2 3.949 CV 1 ASSI { 250} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 127 and name HN )) 6.000 6.000 0.000 peak 250 weight 0.10000E+01 volume -0.16297E-01 ppm1 3.867 ppm2 8.346 CV 1 ASSI { 1140} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 200 and name HN )) 3.200 1.200 1.400 peak 1140 weight 0.10000E+01 volume 0.34054E-02 ppm1 1.521 ppm2 8.979 CV 1 ASSI { 892} (( segid " " and resid 180 and name HA )) (( segid " " and resid 180 and name HN )) 2.700 0.900 1.100 peak 892 weight 0.10000E+01 volume 0.90809E-02 ppm1 3.671 ppm2 9.134 CV 1 ASSI { 1090} (( segid " " and resid 194 and name HG1 )) (( segid " " and resid 194 and name HE2 )) 2.700 0.900 1.100 peak 1090 weight 0.10000E+01 volume 0.55945E-02 ppm1 1.488 ppm2 2.949 CV 1 OR { 1090} (( segid " " and resid 194 and name HG1 )) (( segid " " and resid 194 and name HE1 )) ASSI { 1378} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 162 and name HN )) 2.900 2.900 3.100 peak 1378 weight 0.10000E+01 volume 0.53350E-02 ppm1 1.239 ppm2 8.512 CV 1 ASSI { 1384} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 210 and name HA )) 2.000 2.000 4.000 peak 1384 weight 0.10000E+01 volume 0.33161E-01 ppm1 1.241 ppm2 3.673 CV 1 ASSI { 1377} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 210 and name HN )) 2.900 1.100 1.300 peak 1377 weight 0.10000E+01 volume 0.55701E-02 ppm1 1.242 ppm2 9.119 CV 1 ASSI { 1087} (( segid " " and resid 194 and name HG2 )) (( segid " " and resid 194 and name HN )) 3.100 1.200 1.400 peak 1087 weight 0.10000E+01 volume 0.38513E-02 ppm1 1.483 ppm2 7.627 CV 1 OR { 1087} (( segid " " and resid 194 and name HG1 )) (( segid " " and resid 194 and name HN )) ASSI { 1224} (( segid " " and resid 204 and name HG1 )) (( segid " " and resid 204 and name HA )) 2.700 0.900 1.100 peak 1224 weight 0.10000E+01 volume 0.54404E-02 ppm1 1.613 ppm2 4.119 CV 1 ASSI { 510} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HN )) 2.900 1.100 1.300 peak 510 weight 0.10000E+01 volume 0.55296E-02 ppm1 3.942 ppm2 7.339 CV 1 ASSI { 1096} (( segid " " and resid 195 and name HA1 )) (( segid " " and resid 196 and name HN )) 6.000 6.000 0.000 peak 1096 weight 0.10000E+01 volume -0.79944E-02 ppm1 4.140 ppm2 7.594 CV 1 ASSI { 1381} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 183 and name HN )) 3.000 1.100 1.300 peak 1381 weight 0.10000E+01 volume 0.44026E-02 ppm1 1.237 ppm2 8.223 CV 1 ASSI { 518} (( segid " " and resid 188 and name HA )) (( segid " " and resid 188 and name HN )) 2.700 0.900 1.100 peak 518 weight 0.10000E+01 volume 0.80187E-02 ppm1 4.129 ppm2 8.373 CV 1 ASSI { 511} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HN )) 2.600 2.600 3.400 peak 511 weight 0.10000E+01 volume 0.11432E-01 ppm1 4.135 ppm2 7.345 CV 1 ASSI { 519} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 145 and name HN )) 2.900 2.900 3.100 peak 519 weight 0.10000E+01 volume 0.59025E-02 ppm1 4.138 ppm2 8.574 CV 1 ASSI { 1227} (( segid " " and resid 204 and name HG2 )) (( segid " " and resid 204 and name HE2 )) 2.700 0.900 1.100 peak 1227 weight 0.10000E+01 volume 0.58782E-02 ppm1 1.458 ppm2 2.956 CV 1 OR { 1227} (( segid " " and resid 204 and name HG2 )) (( segid " " and resid 204 and name HE1 )) ASSI { 123} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 177 and name HN )) 2.900 1.000 1.200 peak 123 weight 0.10000E+01 volume 0.58458E-02 ppm1 1.085 ppm2 8.364 CV 1 ASSI { 121} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 176 and name HA )) 2.200 0.600 0.800 peak 121 weight 0.10000E+01 volume 0.18405E-01 ppm1 1.083 ppm2 3.554 CV 1 ASSI { 124} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 176 and name HN )) 2.600 0.800 1.000 peak 124 weight 0.10000E+01 volume 0.10946E-01 ppm1 1.085 ppm2 8.962 CV 1 ASSI { 120} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 214 and name HB2 )) 2.500 0.800 1.000 peak 120 weight 0.10000E+01 volume 0.77917E-02 ppm1 1.081 ppm2 2.934 CV 1 ASSI { 1334} (( segid " " and resid 209 and name HA )) (( segid " " and resid 139 and name HG11)) 2.700 0.900 1.100 peak 1334 weight 0.10000E+01 volume 0.51728E-02 ppm1 3.838 ppm2 0.886 CV 1 ASSI { 1395} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 184 and name HG12)) 2.200 2.200 3.800 peak 1395 weight 0.10000E+01 volume 0.16216E-01 ppm1 0.960 ppm2 1.906 CV 1 ASSI { 1387} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 211 and name HN )) 3.100 1.200 1.400 peak 1387 weight 0.10000E+01 volume 0.40782E-02 ppm1 0.958 ppm2 8.020 CV 1 ASSI { 314} (( segid " " and resid 131 and name HA1 )) (( segid " " and resid 132 and name HN )) 6.000 6.000 0.000 peak 314 weight 0.10000E+01 volume -0.81890E-02 ppm1 4.022 ppm2 8.387 CV 1 ASSI { 312} (( segid " " and resid 131 and name HA2 )) (( segid " " and resid 131 and name HN )) 6.000 6.000 0.000 peak 312 weight 0.10000E+01 volume -0.68593E-02 ppm1 4.436 ppm2 9.367 CV 1 ASSI { 313} (( segid " " and resid 131 and name HA2 )) (( segid " " and resid 132 and name HN )) 6.000 6.000 0.000 peak 313 weight 0.10000E+01 volume -0.10460E-01 ppm1 4.439 ppm2 8.381 CV 1 ASSI { 1351} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 208 and name HN )) 3.200 3.200 2.800 peak 1351 weight 0.10000E+01 volume 0.32756E-02 ppm1 1.322 ppm2 7.330 CV 1 ASSI { 1347} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 210 and name HN )) 3.000 1.100 1.300 peak 1347 weight 0.10000E+01 volume 0.43134E-02 ppm1 1.323 ppm2 9.117 CV 1 ASSI { 1355} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 159 and name HA )) 2.900 2.900 3.100 peak 1355 weight 0.10000E+01 volume 0.37864E-02 ppm1 1.322 ppm2 4.786 CV 1 ASSI { 1349} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 209 and name HN )) 2.500 2.500 3.500 peak 1349 weight 0.10000E+01 volume 0.15323E-01 ppm1 1.321 ppm2 8.316 CV 1 ASSI { 1060} (( segid " " and resid 192 and name HA )) (( segid " " and resid 192 and name HN )) 2.500 0.800 1.000 peak 1060 weight 0.10000E+01 volume 0.12243E-01 ppm1 4.377 ppm2 8.216 CV 1 ASSI { 1057} (( segid " " and resid 192 and name HA )) (( segid " " and resid 195 and name HN )) 2.900 2.900 3.100 peak 1057 weight 0.10000E+01 volume 0.55701E-02 ppm1 4.381 ppm2 8.016 CV 1 ASSI { 1058} (( segid " " and resid 192 and name HA )) (( segid " " and resid 193 and name HN )) 2.700 0.900 1.100 peak 1058 weight 0.10000E+01 volume 0.89997E-02 ppm1 4.380 ppm2 7.865 CV 1 ASSI { 795} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 213 and name HB2 )) 2.200 0.600 0.800 peak 795 weight 0.10000E+01 volume 0.20108E-01 ppm1 0.951 ppm2 2.160 CV 1 ASSI { 789} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 161 and name HN )) 2.500 0.800 1.000 peak 789 weight 0.10000E+01 volume 0.14513E-01 ppm1 0.950 ppm2 8.513 CV 1 ASSI { 796} ( segid " " and resid 161 and name HG1%) ( segid " " and resid 213 and name HE% ) 2.200 0.600 0.800 peak 796 weight 0.10000E+01 volume 0.15891E-01 ppm1 0.949 ppm2 1.904 CV 1 ASSI { 790} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 213 and name HN )) 3.100 1.200 1.400 peak 790 weight 0.10000E+01 volume 0.36972E-02 ppm1 0.952 ppm2 8.234 CV 1 ASSI { 895} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 211 and name HN )) 2.700 0.900 1.100 peak 895 weight 0.10000E+01 volume 0.81890E-02 ppm1 1.094 ppm2 8.032 CV 1 ASSI { 894} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 180 and name HN )) 2.300 2.300 3.700 peak 894 weight 0.10000E+01 volume 0.19864E-01 ppm1 1.093 ppm2 9.153 CV 1 ASSI { 900} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 214 and name HB2 )) 2.700 2.700 3.300 peak 900 weight 0.10000E+01 volume 0.49134E-02 ppm1 1.094 ppm2 2.886 CV 1 ASSI { 1069} (( segid " " and resid 193 and name HA )) (( segid " " and resid 192 and name HN )) 3.200 3.200 2.800 peak 1069 weight 0.10000E+01 volume 0.29918E-02 ppm1 4.225 ppm2 8.193 CV 1 ASSI { 1068} (( segid " " and resid 193 and name HA )) (( segid " " and resid 195 and name HN )) 3.000 1.100 1.300 peak 1068 weight 0.10000E+01 volume 0.49297E-02 ppm1 4.230 ppm2 8.004 CV 1 ASSI { 1066} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HN )) 2.400 0.700 0.900 peak 1066 weight 0.10000E+01 volume 0.16784E-01 ppm1 4.228 ppm2 7.859 CV 1 ASSI { 1067} (( segid " " and resid 193 and name HA )) (( segid " " and resid 194 and name HN )) 2.500 2.500 3.500 peak 1067 weight 0.10000E+01 volume 0.15161E-01 ppm1 4.230 ppm2 7.648 CV 1 ASSI { 288} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HN )) 6.000 6.000 0.000 peak 288 weight 0.10000E+01 volume -0.60647E-02 ppm1 1.608 ppm2 8.084 CV 1 ASSI { 328} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 133 and name HN )) 2.500 2.500 3.500 peak 328 weight 0.10000E+01 volume 0.15081E-01 ppm1 3.982 ppm2 8.761 CV 1 ASSI { 1732} (( segid " " and resid 230 and name HB2 )) (( segid " " and resid 230 and name HN )) 2.900 1.000 1.200 peak 1732 weight 0.10000E+01 volume 0.62026E-02 ppm1 3.880 ppm2 8.148 CV 1 OR { 1732} (( segid " " and resid 230 and name HB1 )) (( segid " " and resid 230 and name HN )) ASSI { 1723} (( segid " " and resid 228 and name HD1 )) ( segid " " and resid 225 and name HE% ) 6.000 6.000 0.000 peak 1723 weight 0.10000E+01 volume -0.50026E-02 ppm1 3.168 ppm2 6.673 CV 1 OR { 1723} (( segid " " and resid 228 and name HD2 )) ( segid " " and resid 225 and name HE% ) ASSI { 325} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HN )) 2.500 2.500 3.500 peak 325 weight 0.10000E+01 volume 0.13378E-01 ppm1 3.924 ppm2 8.381 CV 1 ASSI { 1197} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 198 and name HN )) 3.200 3.200 2.800 peak 1197 weight 0.10000E+01 volume 0.30648E-02 ppm1 0.995 ppm2 8.690 CV 1 ASSI { 1195} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 204 and name HN )) 2.700 2.700 3.300 peak 1195 weight 0.10000E+01 volume 0.94051E-02 ppm1 0.995 ppm2 7.580 CV 1 ASSI { 1200} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 198 and name HB1 )) 2.400 0.700 0.900 peak 1200 weight 0.10000E+01 volume 0.98916E-02 ppm1 0.995 ppm2 3.162 CV 1 ASSI { 633} (( segid " " and resid 151 and name HD1 )) (( segid " " and resid 151 and name HE )) 6.000 6.000 0.000 peak 633 weight 0.10000E+01 volume -0.58782E-02 ppm1 3.390 ppm2 7.506 CV 1 ASSI { 720} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HG1 )) 2.700 0.900 1.100 peak 720 weight 0.10000E+01 volume 0.58458E-02 ppm1 4.354 ppm2 1.523 CV 1 ASSI { 825} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 183 and name HN )) 2.800 1.000 1.200 peak 825 weight 0.10000E+01 volume 0.65268E-02 ppm1 1.481 ppm2 8.203 CV 1 ASSI { 822} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 184 and name HA )) 2.500 2.500 3.500 peak 822 weight 0.10000E+01 volume 0.78890E-02 ppm1 1.482 ppm2 3.680 CV 1 ASSI { 976} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 162 and name HN )) 2.500 0.800 1.000 peak 976 weight 0.10000E+01 volume 0.14189E-01 ppm1 1.482 ppm2 8.510 CV 1 ASSI { 1504} ( segid " " and resid 216 and name HG2%) (( segid " " and resid 219 and name HN )) 3.300 1.300 1.500 peak 1504 weight 0.10000E+01 volume 0.26675E-02 ppm1 1.243 ppm2 8.305 CV 1 ASSI { 1503} ( segid " " and resid 216 and name HG2%) (( segid " " and resid 216 and name HN )) 2.800 1.000 1.200 peak 1503 weight 0.10000E+01 volume 0.70701E-02 ppm1 1.246 ppm2 8.131 CV 1 ASSI { 1506} ( segid " " and resid 216 and name HG2%) (( segid " " and resid 220 and name HN )) 3.300 1.400 1.600 peak 1506 weight 0.10000E+01 volume 0.23675E-02 ppm1 1.250 ppm2 7.961 CV 1 ASSI { 1507} ( segid " " and resid 216 and name HG2%) (( segid " " and resid 220 and name HE )) 2.900 1.000 1.200 peak 1507 weight 0.10000E+01 volume 0.36486E-02 ppm1 1.248 ppm2 7.245 CV 1 ASSI { 366} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HN )) 2.300 2.300 3.700 peak 366 weight 0.10000E+01 volume 0.20918E-01 ppm1 3.839 ppm2 8.441 CV 1 ASSI { 1315} (( segid " " and resid 208 and name HD2 )) (( segid " " and resid 208 and name HE )) 6.000 6.000 0.000 peak 1315 weight 0.10000E+01 volume -0.93241E-02 ppm1 3.171 ppm2 7.316 CV 1 ASSI { 1327} (( segid " " and resid 208 and name HD1 )) (( segid " " and resid 208 and name HB2 )) 6.000 6.000 0.000 peak 1327 weight 0.10000E+01 volume -0.54404E-02 ppm1 3.274 ppm2 1.958 CV 1 ASSI { 371} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 134 and name HA )) 2.500 2.500 3.500 peak 371 weight 0.10000E+01 volume 0.83511E-02 ppm1 3.838 ppm2 4.788 CV 1 ASSI { 368} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 136 and name HN )) 2.700 2.700 3.300 peak 368 weight 0.10000E+01 volume 0.82701E-02 ppm1 3.841 ppm2 8.644 CV 1 ASSI { 1041} ( segid " " and resid 189 and name HG1%) (( segid " " and resid 189 and name HB )) 1.900 0.400 0.600 peak 1041 weight 0.10000E+01 volume 0.47836E-01 ppm1 1.063 ppm2 2.240 CV 1 ASSI { 868} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 176 and name HN )) 3.000 1.100 1.300 peak 868 weight 0.10000E+01 volume 0.43864E-02 ppm1 1.041 ppm2 8.965 CV 1 ASSI { 304} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 130 and name HN )) 3.100 1.200 1.400 peak 304 weight 0.10000E+01 volume 0.36891E-02 ppm1 0.035 ppm2 8.070 CV 1 ASSI { 302} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 131 and name HN )) 2.700 0.900 1.100 peak 302 weight 0.10000E+01 volume 0.95674E-02 ppm1 0.025 ppm2 9.370 CV 1 ASSI { 306} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 160 and name HE22)) 2.900 1.100 1.300 peak 306 weight 0.10000E+01 volume 0.54972E-02 ppm1 0.028 ppm2 6.964 CV 1 ASSI { 867} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 214 and name HN )) 3.300 3.300 2.700 peak 867 weight 0.10000E+01 volume 0.27080E-02 ppm1 1.037 ppm2 9.190 CV 1 ASSI { 303} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 161 and name HN )) 3.300 1.300 1.500 peak 303 weight 0.10000E+01 volume 0.27486E-02 ppm1 0.023 ppm2 8.505 CV 1 ASSI { 305} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 160 and name HE21)) 3.200 1.300 1.500 peak 305 weight 0.10000E+01 volume 0.29594E-02 ppm1 0.033 ppm2 7.947 CV 1 ASSI { 616} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB2 )) 2.500 0.800 1.000 peak 616 weight 0.10000E+01 volume 0.75404E-02 ppm1 4.135 ppm2 3.273 CV 1 ASSI { 611} (( segid " " and resid 150 and name HA )) (( segid " " and resid 154 and name HN )) 3.300 1.400 1.600 peak 611 weight 0.10000E+01 volume 0.24729E-02 ppm1 4.131 ppm2 8.065 CV 1 ASSI { 1134} ( segid " " and resid 199 and name HG2%) (( segid " " and resid 197 and name HD22)) 3.100 1.200 1.400 peak 1134 weight 0.10000E+01 volume 0.52458E-02 ppm1 1.456 ppm2 7.554 CV 1 ASSI { 1064} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 192 and name HN )) 2.600 2.600 3.400 peak 1064 weight 0.10000E+01 volume 0.11919E-01 ppm1 1.331 ppm2 8.220 CV 1 ASSI { 1056} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 192 and name HN )) 3.000 1.100 1.300 peak 1056 weight 0.10000E+01 volume 0.49053E-02 ppm1 0.977 ppm2 8.196 CV 1 ASSI { 1054} ( segid " " and resid 191 and name HG2%) ( segid " " and resid 198 and name HD% ) 2.900 2.900 3.100 peak 1054 weight 0.10000E+01 volume 0.58620E-02 ppm1 0.980 ppm2 7.365 CV 1 ASSI { 176} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 162 and name HN )) 6.000 6.000 0.000 peak 176 weight 0.10000E+01 volume -0.31459E-02 ppm1 2.600 ppm2 8.521 CV 1 ASSI { 1207} ( segid " " and resid 203 and name HG2%) (( segid " " and resid 203 and name HA )) 2.200 2.200 3.800 peak 1207 weight 0.10000E+01 volume 0.19297E-01 ppm1 0.913 ppm2 3.319 CV 1 ASSI { 1209} ( segid " " and resid 203 and name HG2%) (( segid " " and resid 203 and name HB )) 1.900 0.400 0.600 peak 1209 weight 0.10000E+01 volume 0.46459E-01 ppm1 0.912 ppm2 2.070 CV 1 ASSI { 1163} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 204 and name HB1 )) 2.500 0.800 1.000 peak 1163 weight 0.10000E+01 volume 0.77187E-02 ppm1 0.723 ppm2 1.958 CV 1 ASSI { 1162} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 205 and name HG1 )) 2.400 0.700 0.900 peak 1162 weight 0.10000E+01 volume 0.97295E-02 ppm1 0.728 ppm2 2.939 CV 1 ASSI { 1157} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 201 and name HN )) 3.000 1.100 1.300 peak 1157 weight 0.10000E+01 volume 0.46621E-02 ppm1 0.723 ppm2 7.932 CV 1 ASSI { 920} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HN )) 2.800 1.000 1.200 peak 920 weight 0.10000E+01 volume 0.68106E-02 ppm1 3.774 ppm2 8.743 CV 1 ASSI { 1203} ( segid " " and resid 203 and name HG2%) (( segid " " and resid 203 and name HN )) 2.700 0.900 1.100 peak 1203 weight 0.10000E+01 volume 0.82701E-02 ppm1 0.908 ppm2 8.241 CV 1 ASSI { 603} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB1 )) 2.400 0.700 0.900 peak 603 weight 0.10000E+01 volume 0.96484E-02 ppm1 3.840 ppm2 2.904 CV 1 ASSI { 389} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HD1 )) 2.700 0.900 1.100 peak 389 weight 0.10000E+01 volume 0.53674E-02 ppm1 4.444 ppm2 3.950 CV 1 OR { 389} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HD2 )) ASSI { 922} (( segid " " and resid 182 and name HA )) (( segid " " and resid 183 and name HN )) 3.000 1.100 1.300 peak 922 weight 0.10000E+01 volume 0.44270E-02 ppm1 3.783 ppm2 8.204 CV 1 ASSI { 601} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB2 )) 2.400 0.700 0.900 peak 601 weight 0.10000E+01 volume 0.11757E-01 ppm1 3.845 ppm2 2.611 CV 1 ASSI { 595} (( segid " " and resid 149 and name HA )) (( segid " " and resid 152 and name HN )) 3.000 1.100 1.300 peak 595 weight 0.10000E+01 volume 0.47594E-02 ppm1 3.841 ppm2 8.091 CV 1 ASSI { 1173} (( segid " " and resid 202 and name HB1 )) (( segid " " and resid 203 and name HN )) 6.000 6.000 0.000 peak 1173 weight 0.10000E+01 volume -0.25702E-02 ppm1 3.431 ppm2 8.219 CV 1 ASSI { 597} (( segid " " and resid 149 and name HA )) (( segid " " and resid 153 and name HN )) 3.300 1.300 1.500 peak 597 weight 0.10000E+01 volume 0.27324E-02 ppm1 3.842 ppm2 7.583 CV 1 ASSI { 1364} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 210 and name HN )) 2.500 2.500 3.500 peak 1364 weight 0.10000E+01 volume 0.12973E-01 ppm1 1.287 ppm2 9.108 CV 1 ASSI { 1368} ( segid " " and resid 209 and name HG2%) ( segid " " and resid 157 and name HD% ) 2.700 2.700 3.300 peak 1368 weight 0.10000E+01 volume 0.83511E-02 ppm1 1.286 ppm2 6.883 CV 1 ASSI { 107} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 179 and name HN )) 6.000 6.000 0.000 peak 107 weight 0.10000E+01 volume -0.54566E-02 ppm1 2.973 ppm2 8.089 CV 1 ASSI { 884} (( segid " " and resid 178 and name HB1 )) (( segid " " and resid 179 and name HN )) 6.000 6.000 0.000 peak 884 weight 0.10000E+01 volume -0.47836E-02 ppm1 2.864 ppm2 8.084 CV 1 ASSI { 106} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 178 and name HN )) 6.000 6.000 0.000 peak 106 weight 0.10000E+01 volume -0.85134E-02 ppm1 2.973 ppm2 7.753 CV 1 ASSI { 653} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 154 and name HN )) 6.000 6.000 0.000 peak 653 weight 0.10000E+01 volume -0.30242E-02 ppm1 2.158 ppm2 8.068 CV 1 ASSI { 652} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HN )) 6.000 6.000 0.000 peak 652 weight 0.10000E+01 volume -0.73053E-02 ppm1 2.168 ppm2 7.583 CV 1 ASSI { 654} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HD22)) 6.000 6.000 0.000 peak 654 weight 0.10000E+01 volume -0.60323E-02 ppm1 2.164 ppm2 6.553 CV 1 ASSI { 655} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HD21)) 6.000 6.000 0.000 peak 655 weight 0.10000E+01 volume -0.57728E-02 ppm1 2.175 ppm2 6.808 CV 1 ASSI { 1122} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 197 and name HD22)) 6.000 6.000 0.000 peak 1122 weight 0.10000E+01 volume -0.52377E-02 ppm1 2.668 ppm2 7.550 CV 1 ASSI { 1610} (( segid " " and resid 222 and name HA )) (( segid " " and resid 223 and name HN )) 3.000 1.100 1.300 peak 1610 weight 0.10000E+01 volume 0.43458E-02 ppm1 3.924 ppm2 7.609 CV 1 ASSI { 172} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 143 and name HA )) 6.000 6.000 0.000 peak 172 weight 0.10000E+01 volume -0.64458E-02 ppm1 2.762 ppm2 4.814 CV 1 OR { 172} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 143 and name HA )) ASSI { 167} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 197 and name HN )) 6.000 6.000 0.000 peak 167 weight 0.10000E+01 volume -0.10540E-01 ppm1 2.662 ppm2 8.491 CV 1 ASSI { 523} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 145 and name HN )) 6.000 6.000 0.000 peak 523 weight 0.10000E+01 volume -0.16054E-01 ppm1 2.765 ppm2 8.577 CV 1 OR { 523} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 145 and name HN )) ASSI { 166} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 198 and name HN )) 6.000 6.000 0.000 peak 166 weight 0.10000E+01 volume -0.60890E-02 ppm1 2.659 ppm2 8.689 CV 1 ASSI { 1120} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 198 and name HN )) 6.000 6.000 0.000 peak 1120 weight 0.10000E+01 volume -0.82701E-02 ppm1 2.622 ppm2 8.688 CV 1 ASSI { 1119} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 197 and name HN )) 6.000 6.000 0.000 peak 1119 weight 0.10000E+01 volume -0.99727E-02 ppm1 2.621 ppm2 8.492 CV 1 ASSI { 1123} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 197 and name HD21)) 6.000 6.000 0.000 peak 1123 weight 0.10000E+01 volume -0.23351E-02 ppm1 2.631 ppm2 6.806 CV 1 ASSI { 1121} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 197 and name HD22)) 6.000 6.000 0.000 peak 1121 weight 0.10000E+01 volume -0.53593E-02 ppm1 2.624 ppm2 7.546 CV 1 ASSI { 401} (( segid " " and resid 138 and name HA )) (( segid " " and resid 137 and name HA )) 2.900 2.900 3.100 peak 401 weight 0.10000E+01 volume 0.37378E-02 ppm1 4.170 ppm2 4.448 CV 1 ASSI { 398} (( segid " " and resid 138 and name HA )) ( segid " " and resid 150 and name HD% ) 3.200 1.300 1.500 peak 398 weight 0.10000E+01 volume 0.30162E-02 ppm1 4.168 ppm2 7.536 CV 1 ASSI { 1269} (( segid " " and resid 207 and name HA )) (( segid " " and resid 211 and name HN )) 3.200 1.300 1.500 peak 1269 weight 0.10000E+01 volume 0.30324E-02 ppm1 3.669 ppm2 8.025 CV 1 ASSI { 1268} (( segid " " and resid 207 and name HA )) (( segid " " and resid 208 and name HN )) 3.000 1.200 1.400 peak 1268 weight 0.10000E+01 volume 0.42567E-02 ppm1 3.672 ppm2 7.333 CV 1 ASSI { 1267} (( segid " " and resid 207 and name HA )) (( segid " " and resid 210 and name HN )) 3.200 1.300 1.500 peak 1267 weight 0.10000E+01 volume 0.33404E-02 ppm1 3.667 ppm2 9.128 CV 1 ASSI { 1274} (( segid " " and resid 207 and name HA )) (( segid " " and resid 203 and name HB )) 2.300 2.300 3.700 peak 1274 weight 0.10000E+01 volume 0.14513E-01 ppm1 3.673 ppm2 2.086 CV 1 ASSI { 1272} (( segid " " and resid 207 and name HA )) ( segid " " and resid 210 and name HG2%) 2.300 2.300 3.700 peak 1272 weight 0.10000E+01 volume 0.13216E-01 ppm1 3.676 ppm2 0.959 CV 1 ASSI { 1669} (( segid " " and resid 225 and name HA )) (( segid " " and resid 227 and name HG1 )) 3.000 3.000 3.000 peak 1669 weight 0.10000E+01 volume 0.27324E-02 ppm1 4.190 ppm2 2.363 CV 1 OR { 1669} (( segid " " and resid 225 and name HA )) (( segid " " and resid 227 and name HG2 )) ASSI { 1665} (( segid " " and resid 225 and name HA )) (( segid " " and resid 226 and name HN )) 2.600 2.600 3.400 peak 1665 weight 0.10000E+01 volume 0.10946E-01 ppm1 4.184 ppm2 7.976 CV 1 ASSI { 5} (( segid " " and resid 171 and name HB1 )) (( segid " " and resid 171 and name HD21)) 6.000 6.000 0.000 peak 5 weight 0.10000E+01 volume -0.58296E-02 ppm1 3.124 ppm2 7.574 CV 1 ASSI { 1004} (( segid " " and resid 185 and name HA )) ( segid " " and resid 188 and name HG2%) 2.700 0.900 1.100 peak 1004 weight 0.10000E+01 volume 0.48485E-02 ppm1 4.060 ppm2 1.257 CV 1 ASSI { 1002} (( segid " " and resid 185 and name HA )) (( segid " " and resid 185 and name HN )) 2.600 0.800 1.000 peak 1002 weight 0.10000E+01 volume 0.11432E-01 ppm1 4.063 ppm2 8.073 CV 1 ASSI { 1003} (( segid " " and resid 185 and name HA )) (( segid " " and resid 186 and name HN )) 3.000 1.200 1.400 peak 1003 weight 0.10000E+01 volume 0.42405E-02 ppm1 4.060 ppm2 8.474 CV 1 ASSI { 834} (( segid " " and resid 171 and name HB1 )) (( segid " " and resid 171 and name HD22)) 6.000 6.000 0.000 peak 834 weight 0.10000E+01 volume -0.37783E-02 ppm1 3.134 ppm2 6.739 CV 1 ASSI { 1005} (( segid " " and resid 185 and name HA )) (( segid " " and resid 185 and name HG2 )) 2.400 0.700 0.900 peak 1005 weight 0.10000E+01 volume 0.11757E-01 ppm1 4.064 ppm2 1.499 CV 1 ASSI { 1452} (( segid " " and resid 214 and name HA )) ( segid " " and resid 175 and name HE% ) 3.200 1.300 1.500 peak 1452 weight 0.10000E+01 volume 0.28945E-02 ppm1 4.428 ppm2 7.681 CV 1 ASSI { 543} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HB1 )) 2.500 0.800 1.000 peak 543 weight 0.10000E+01 volume 0.92430E-02 ppm1 3.590 ppm2 2.886 CV 1 ASSI { 1455} (( segid " " and resid 214 and name HA )) (( segid " " and resid 217 and name HB2 )) 2.700 0.900 1.100 peak 1455 weight 0.10000E+01 volume 0.56431E-02 ppm1 4.418 ppm2 2.271 CV 1 ASSI { 533} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HN )) 2.700 0.900 1.100 peak 533 weight 0.10000E+01 volume 0.87565E-02 ppm1 3.583 ppm2 8.321 CV 1 ASSI { 542} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HG1 )) 2.400 0.700 0.900 peak 542 weight 0.10000E+01 volume 0.11675E-01 ppm1 3.590 ppm2 2.280 CV 1 ASSI { 1451} (( segid " " and resid 214 and name HA )) (( segid " " and resid 216 and name HN )) 3.200 1.300 1.500 peak 1451 weight 0.10000E+01 volume 0.29269E-02 ppm1 4.415 ppm2 8.117 CV 1 ASSI { 1228} (( segid " " and resid 205 and name HA )) (( segid " " and resid 205 and name HN )) 2.500 0.800 1.000 peak 1228 weight 0.10000E+01 volume 0.12729E-01 ppm1 4.163 ppm2 8.180 CV 1 ASSI { 1453} (( segid " " and resid 214 and name HA )) (( segid " " and resid 214 and name HB1 )) 2.500 0.800 1.000 peak 1453 weight 0.10000E+01 volume 0.83511E-02 ppm1 4.427 ppm2 3.556 CV 1 ASSI { 437} (( segid " " and resid 139 and name HB )) (( segid " " and resid 139 and name HN )) 6.000 6.000 0.000 peak 437 weight 0.10000E+01 volume -0.62269E-02 ppm1 0.881 ppm2 6.458 CV 1 ASSI { 1658} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 225 and name HN )) 2.400 0.700 0.900 peak 1658 weight 0.10000E+01 volume 0.17999E-01 ppm1 1.428 ppm2 8.080 CV 1 ASSI { 340} ( segid " " and resid 133 and name HB% ) (( segid " " and resid 159 and name HD22)) 2.600 0.800 1.000 peak 340 weight 0.10000E+01 volume 0.12081E-01 ppm1 1.299 ppm2 6.797 CV 1 ASSI { 343} ( segid " " and resid 133 and name HB% ) (( segid " " and resid 160 and name HE21)) 3.100 3.100 2.900 peak 343 weight 0.10000E+01 volume 0.37378E-02 ppm1 1.298 ppm2 7.909 CV 1 ASSI { 1657} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 224 and name HN )) 2.100 0.500 0.700 peak 1657 weight 0.10000E+01 volume 0.42647E-01 ppm1 1.428 ppm2 7.546 CV 1 ASSI { 1660} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 227 and name HE21)) 3.300 1.400 1.600 peak 1660 weight 0.10000E+01 volume 0.24648E-02 ppm1 1.418 ppm2 6.835 CV 1 ASSI { 342} ( segid " " and resid 133 and name HB% ) (( segid " " and resid 159 and name HD21)) 2.700 0.900 1.100 peak 342 weight 0.10000E+01 volume 0.80998E-02 ppm1 1.300 ppm2 7.490 CV 1 ASSI { 801} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 163 and name HA )) 2.700 2.700 3.300 peak 801 weight 0.10000E+01 volume 0.56755E-02 ppm1 0.776 ppm2 4.795 CV 1 ASSI { 798} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 161 and name HN )) 2.400 0.700 0.900 peak 798 weight 0.10000E+01 volume 0.17351E-01 ppm1 0.773 ppm2 8.512 CV 1 ASSI { 802} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 160 and name HA )) 2.700 0.900 1.100 peak 802 weight 0.10000E+01 volume 0.56269E-02 ppm1 0.773 ppm2 4.532 CV 1 ASSI { 950} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 162 and name HB1 )) 2.200 0.600 0.800 peak 950 weight 0.10000E+01 volume 0.16459E-01 ppm1 0.303 ppm2 2.576 CV 1 ASSI { 568} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HG2 )) 2.800 0.700 1.200 peak 568 weight 0.10000E+01 volume 0.95674E-02 ppm1 4.026 ppm2 1.547 CV 1 ASSI { 566} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HD1 )) 2.600 0.800 1.000 peak 566 weight 0.10000E+01 volume 0.71512E-02 ppm1 4.026 ppm2 3.254 CV 1 ASSI { 944} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 161 and name HA )) 3.000 3.000 3.000 peak 944 weight 0.10000E+01 volume 0.27242E-02 ppm1 0.309 ppm2 4.958 CV 1 ASSI { 939} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 126 and name HN )) 3.000 3.000 3.000 peak 939 weight 0.10000E+01 volume 0.48404E-02 ppm1 0.309 ppm2 8.517 CV 1 ASSI { 1252} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 146 and name HN )) 3.100 3.100 2.900 peak 1252 weight 0.10000E+01 volume 0.40458E-02 ppm1 1.496 ppm2 7.753 CV 1 ASSI { 913} (( segid " " and resid 225 and name HB1 )) (( segid " " and resid 225 and name HN )) 6.000 6.000 0.000 peak 913 weight 0.10000E+01 volume -0.80917E-02 ppm1 3.029 ppm2 8.079 CV 1 ASSI { 47} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 150 and name HB2 )) 2.500 0.800 1.000 peak 47 weight 0.10000E+01 volume 0.89187E-02 ppm1 1.497 ppm2 3.290 CV 1 ASSI { 49} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 205 and name HG2 )) 2.100 0.500 0.700 peak 49 weight 0.10000E+01 volume 0.26270E-01 ppm1 1.496 ppm2 2.166 CV 1 ASSI { 56} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 150 and name HN )) 2.600 0.800 1.000 peak 56 weight 0.10000E+01 volume 0.11837E-01 ppm1 1.496 ppm2 8.989 CV 1 ASSI { 54} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 205 and name HN )) 2.800 2.800 3.200 peak 54 weight 0.10000E+01 volume 0.73782E-02 ppm1 1.493 ppm2 8.187 CV 1 ASSI { 1534} (( segid " " and resid 219 and name HA )) (( segid " " and resid 220 and name HN )) 3.200 1.300 1.500 peak 1534 weight 0.10000E+01 volume 0.30324E-02 ppm1 3.759 ppm2 7.953 CV 1 ASSI { 1018} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HN )) 2.500 0.800 1.000 peak 1018 weight 0.10000E+01 volume 0.13622E-01 ppm1 4.594 ppm2 8.383 CV 1 ASSI { 909} (( segid " " and resid 181 and name HB1 )) (( segid " " and resid 182 and name HN )) 6.000 6.000 0.000 peak 909 weight 0.10000E+01 volume -0.58539E-02 ppm1 2.879 ppm2 8.742 CV 1 ASSI { 565} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HN )) 2.600 0.900 1.100 peak 565 weight 0.10000E+01 volume 0.10460E-01 ppm1 4.001 ppm2 7.954 CV 1 ASSI { 1563} (( segid " " and resid 220 and name HA )) (( segid " " and resid 223 and name HN )) 3.100 1.200 1.400 peak 1563 weight 0.10000E+01 volume 0.35107E-02 ppm1 4.000 ppm2 7.605 CV 1 ASSI { 1681} (( segid " " and resid 226 and name HA )) ( segid " " and resid 226 and name HD% ) 2.400 0.700 0.900 peak 1681 weight 0.10000E+01 volume 0.19378E-01 ppm1 4.387 ppm2 7.213 CV 1 ASSI { 667} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HG2 )) 2.700 0.900 1.100 peak 667 weight 0.10000E+01 volume 0.47512E-02 ppm1 3.440 ppm2 2.178 CV 1 ASSI { 1680} (( segid " " and resid 226 and name HA )) (( segid " " and resid 226 and name HN )) 2.300 0.700 0.900 peak 1680 weight 0.10000E+01 volume 0.21000E-01 ppm1 4.387 ppm2 7.969 CV 1 ASSI { 1212} (( segid " " and resid 204 and name HA )) (( segid " " and resid 205 and name HN )) 3.100 1.200 1.400 peak 1212 weight 0.10000E+01 volume 0.34458E-02 ppm1 4.128 ppm2 8.178 CV 1 ASSI { 751} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 136 and name HN )) 6.000 6.000 0.000 peak 751 weight 0.10000E+01 volume -0.26756E-02 ppm1 2.475 ppm2 8.663 CV 1 ASSI { 1220} (( segid " " and resid 204 and name HA )) ( segid " " and resid 203 and name HG2%) 2.700 0.900 1.100 peak 1220 weight 0.10000E+01 volume 0.47188E-02 ppm1 4.126 ppm2 0.905 CV 1 ASSI { 1411} (( segid " " and resid 212 and name HA )) (( segid " " and resid 215 and name HN )) 2.800 1.000 1.200 peak 1411 weight 0.10000E+01 volume 0.71188E-02 ppm1 3.991 ppm2 8.365 CV 1 ASSI { 98} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 161 and name HN )) 2.800 2.800 3.200 peak 98 weight 0.10000E+01 volume 0.66647E-02 ppm1 2.166 ppm2 8.504 CV 1 ASSI { 94} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 217 and name HE22)) 3.000 1.100 1.300 peak 94 weight 0.10000E+01 volume 0.50674E-02 ppm1 2.166 ppm2 6.870 CV 1 ASSI { 95} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 220 and name HE )) 2.800 1.000 1.200 peak 95 weight 0.10000E+01 volume 0.43540E-02 ppm1 2.166 ppm2 7.271 CV 1 ASSI { 96} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 216 and name HN )) 3.000 1.100 1.300 peak 96 weight 0.10000E+01 volume 0.45161E-02 ppm1 2.165 ppm2 8.148 CV 1 ASSI { 80} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 154 and name HN )) 2.800 2.800 3.200 peak 80 weight 0.10000E+01 volume 0.76215E-02 ppm1 2.040 ppm2 8.053 CV 1 ASSI { 74} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 136 and name HA )) 2.500 2.500 3.500 peak 74 weight 0.10000E+01 volume 0.85134E-02 ppm1 2.042 ppm2 4.430 CV 1 ASSI { 780} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name HN )) 2.400 0.700 0.900 peak 780 weight 0.10000E+01 volume 0.17837E-01 ppm1 4.937 ppm2 8.513 CV 1 ASSI { 433} (( segid " " and resid 139 and name HA )) (( segid " " and resid 140 and name HA )) 2.800 2.800 3.200 peak 433 weight 0.10000E+01 volume 0.39323E-02 ppm1 3.940 ppm2 4.947 CV 1 ASSI { 227} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HN )) 6.000 6.000 0.000 peak 227 weight 0.10000E+01 volume -0.53188E-02 ppm1 1.882 ppm2 7.752 CV 1 ASSI { 605} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 149 and name HN )) 6.000 6.000 0.000 peak 605 weight 0.10000E+01 volume -0.41350E-02 ppm1 2.863 ppm2 8.344 CV 1 ASSI { 162} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HN )) 2.600 0.900 1.100 peak 162 weight 0.10000E+01 volume 0.98106E-02 ppm1 0.745 ppm2 6.458 CV 1 ASSI { 421} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HA )) 2.900 1.100 1.300 peak 421 weight 0.10000E+01 volume 0.33810E-02 ppm1 0.749 ppm2 3.951 CV 1 ASSI { 842} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 174 and name HA )) 6.000 6.000 0.000 peak 842 weight 0.10000E+01 volume -0.24242E-02 ppm1 2.684 ppm2 4.579 CV 1 ASSI { 138} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HN )) 6.000 6.000 0.000 peak 138 weight 0.10000E+01 volume -0.85134E-02 ppm1 2.856 ppm2 8.592 CV 1 ASSI { 146} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 146 and name HN )) 6.000 6.000 0.000 peak 146 weight 0.10000E+01 volume -0.51972E-02 ppm1 2.881 ppm2 7.744 CV 1 ASSI { 1474} (( segid " " and resid 215 and name HB )) (( segid " " and resid 215 and name HN )) 6.000 6.000 0.000 peak 1474 weight 0.10000E+01 volume -0.68268E-02 ppm1 2.030 ppm2 8.362 CV 1 ASSI { 132} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 174 and name HN )) 6.000 6.000 0.000 peak 132 weight 0.10000E+01 volume -0.98916E-02 ppm1 2.689 ppm2 8.639 CV 1 ASSI { 137} (( segid " " and resid 173 and name HB1 )) (( segid " " and resid 173 and name HD22)) 6.000 6.000 0.000 peak 137 weight 0.10000E+01 volume -0.32756E-02 ppm1 2.758 ppm2 6.963 CV 1 ASSI { 133} (( segid " " and resid 173 and name HB1 )) (( segid " " and resid 174 and name HN )) 6.000 6.000 0.000 peak 133 weight 0.10000E+01 volume -0.84322E-02 ppm1 2.758 ppm2 8.633 CV 1 ASSI { 135} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 173 and name HD21)) 6.000 6.000 0.000 peak 135 weight 0.10000E+01 volume -0.59837E-02 ppm1 2.685 ppm2 7.595 CV 1 ASSI { 131} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 173 and name HN )) 6.000 6.000 0.000 peak 131 weight 0.10000E+01 volume -0.18162E-01 ppm1 2.682 ppm2 8.385 CV 1 ASSI { 1525} (( segid " " and resid 217 and name HA )) (( segid " " and resid 217 and name HB2 )) 2.500 0.800 1.000 peak 1525 weight 0.10000E+01 volume 0.76457E-02 ppm1 3.664 ppm2 2.276 CV 1 ASSI { 1523} (( segid " " and resid 217 and name HA )) (( segid " " and resid 220 and name HB2 )) 2.400 0.700 0.900 peak 1523 weight 0.10000E+01 volume 0.10378E-01 ppm1 3.666 ppm2 1.863 CV 1 ASSI { 323} (( segid " " and resid 132 and name HA )) (( segid " " and resid 160 and name HE22)) 2.800 1.000 1.200 peak 323 weight 0.10000E+01 volume 0.68674E-02 ppm1 4.421 ppm2 6.967 CV 1 ASSI { 1519} (( segid " " and resid 217 and name HA )) (( segid " " and resid 220 and name HN )) 3.000 1.200 1.400 peak 1519 weight 0.10000E+01 volume 0.41756E-02 ppm1 3.673 ppm2 7.955 CV 1 ASSI { 455} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 205 and name HA )) 2.900 2.900 3.100 peak 455 weight 0.10000E+01 volume 0.32756E-02 ppm1 -0.029 ppm2 4.170 CV 1 ASSI { 319} (( segid " " and resid 132 and name HA )) (( segid " " and resid 133 and name HN )) 2.000 2.000 4.000 peak 319 weight 0.10000E+01 volume 0.46945E-01 ppm1 4.427 ppm2 8.758 CV 1 ASSI { 1521} (( segid " " and resid 217 and name HA )) ( segid " " and resid 216 and name HG2%) 2.700 0.900 1.100 peak 1521 weight 0.10000E+01 volume 0.48404E-02 ppm1 3.666 ppm2 1.252 CV 1 ASSI { 207} ( segid " " and resid 129 and name HE% ) (( segid " " and resid 129 and name HN )) 3.100 3.100 2.900 peak 207 weight 0.10000E+01 volume 0.40620E-02 ppm1 2.009 ppm2 9.022 CV 1 ASSI { 209} ( segid " " and resid 129 and name HE% ) (( segid " " and resid 130 and name HN )) 2.800 0.900 1.100 peak 209 weight 0.10000E+01 volume 0.76539E-02 ppm1 2.008 ppm2 8.081 CV 1 ASSI { 1479} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 215 and name HN )) 2.800 2.800 3.200 peak 1479 weight 0.10000E+01 volume 0.76863E-02 ppm1 0.912 ppm2 8.349 CV 1 ASSI { 1481} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 172 and name HE21)) 2.800 1.000 1.200 peak 1481 weight 0.10000E+01 volume 0.71755E-02 ppm1 0.909 ppm2 6.932 CV 1 OR { 1481} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 172 and name HE22)) ASSI { 318} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HN )) 2.600 0.800 1.000 peak 318 weight 0.10000E+01 volume 0.11675E-01 ppm1 4.422 ppm2 8.378 CV 1 ASSI { 205} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 166 and name HN )) 3.200 1.300 1.500 peak 205 weight 0.10000E+01 volume 0.30566E-02 ppm1 1.607 ppm2 8.973 CV 1 ASSI { 69} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 225 and name HN )) 3.000 3.000 3.000 peak 69 weight 0.10000E+01 volume 0.45809E-02 ppm1 1.608 ppm2 8.062 CV 1 ASSI { 70} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 222 and name HN )) 2.500 2.500 3.500 peak 70 weight 0.10000E+01 volume 0.13378E-01 ppm1 1.609 ppm2 8.449 CV 1 ASSI { 830} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 222 and name HB1 )) 2.300 0.600 0.800 peak 830 weight 0.10000E+01 volume 0.14513E-01 ppm1 1.608 ppm2 3.636 CV 1 ASSI { 60} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 222 and name HB2 )) 2.300 0.600 0.800 peak 60 weight 0.10000E+01 volume 0.14837E-01 ppm1 1.608 ppm2 3.424 CV 1 ASSI { 1288} (( segid " " and resid 208 and name HA )) (( segid " " and resid 211 and name HN )) 3.200 1.300 1.500 peak 1288 weight 0.10000E+01 volume 0.29027E-02 ppm1 4.246 ppm2 8.023 CV 1 ASSI { 285} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 226 and name HN )) 3.100 3.100 2.900 peak 285 weight 0.10000E+01 volume 0.40378E-02 ppm1 1.615 ppm2 7.991 CV 1 ASSI { 1629} (( segid " " and resid 223 and name HA )) (( segid " " and resid 226 and name HN )) 3.000 1.100 1.300 peak 1629 weight 0.10000E+01 volume 0.45971E-02 ppm1 4.139 ppm2 7.952 CV 1 ASSI { 1628} (( segid " " and resid 223 and name HA )) ( segid " " and resid 226 and name HD% ) 3.300 1.400 1.600 peak 1628 weight 0.10000E+01 volume 0.26432E-02 ppm1 4.144 ppm2 7.217 CV 1 ASSI { 1631} (( segid " " and resid 223 and name HA )) (( segid " " and resid 226 and name HB2 )) 2.800 1.000 1.200 peak 1631 weight 0.10000E+01 volume 0.39729E-02 ppm1 4.140 ppm2 2.949 CV 1 ASSI { 1602} (( segid " " and resid 221 and name HA )) (( segid " " and resid 225 and name HN )) 2.500 2.500 3.500 peak 1602 weight 0.10000E+01 volume 0.14432E-01 ppm1 4.042 ppm2 8.086 CV 1 ASSI { 186} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 185 and name HN )) 2.900 1.000 1.200 peak 186 weight 0.10000E+01 volume 0.59025E-02 ppm1 0.887 ppm2 8.073 CV 1 ASSI { 198} (( segid " " and resid 186 and name HA )) (( segid " " and resid 186 and name HN )) 2.300 0.600 0.800 peak 198 weight 0.10000E+01 volume 0.24973E-01 ppm1 4.048 ppm2 8.457 CV 1 ASSI { 33} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 213 and name HN )) 2.700 2.700 3.300 peak 33 weight 0.10000E+01 volume 0.90809E-02 ppm1 1.898 ppm2 8.224 CV 1 ASSI { 1446} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 210 and name HN )) 2.900 1.100 1.300 peak 1446 weight 0.10000E+01 volume 0.53350E-02 ppm1 1.900 ppm2 9.102 CV 1 ASSI { 36} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 214 and name HN )) 3.100 3.100 2.900 peak 36 weight 0.10000E+01 volume 0.41350E-02 ppm1 1.899 ppm2 9.221 CV 1 ASSI { 32} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 160 and name HN )) 2.600 0.800 1.000 peak 32 weight 0.10000E+01 volume 0.11108E-01 ppm1 1.897 ppm2 7.322 CV 1 ASSI { 34} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 161 and name HN )) 2.900 2.900 3.100 peak 34 weight 0.10000E+01 volume 0.55701E-02 ppm1 1.895 ppm2 8.510 CV 1 ASSI { 687} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB1 )) 2.200 0.600 0.800 peak 687 weight 0.10000E+01 volume 0.16297E-01 ppm1 4.239 ppm2 3.260 CV 1 ASSI { 1} (( segid " " and resid 162 and name HA )) ( segid " " and resid 162 and name HD% ) 2.600 0.800 1.000 peak 1 weight 0.10000E+01 volume 0.26517E-02 ppm1 5.555 ppm2 6.919 CV 1 ASSI { 2} (( segid " " and resid 198 and name HA )) ( segid " " and resid 198 and name HD% ) 2.100 0.600 0.800 peak 2 weight 0.10000E+01 volume 0.82046E-02 ppm1 5.320 ppm2 7.350 CV 1 ASSI { 3} (( segid " " and resid 157 and name HA )) ( segid " " and resid 157 and name HD% ) 2.300 0.700 0.900 peak 3 weight 0.10000E+01 volume 0.56822E-02 ppm1 5.003 ppm2 6.874 CV 1 ASSI { 7} ( segid " " and resid 218 and name HD% ) ( segid " " and resid 218 and name HE% ) 2.300 0.700 0.900 peak 7 weight 0.10000E+01 volume 0.90268E-02 ppm1 6.231 ppm2 6.566 CV 1 ASSI { 8} ( segid " " and resid 157 and name HE% ) ( segid " " and resid 157 and name HD% ) 2.200 0.600 0.800 peak 8 weight 0.10000E+01 volume 0.12288E-01 ppm1 6.562 ppm2 6.874 CV 1 ASSI { 9} ( segid " " and resid 163 and name HE% ) ( segid " " and resid 163 and name HD% ) 2.300 0.700 0.900 peak 9 weight 0.10000E+01 volume 0.89344E-02 ppm1 6.471 ppm2 7.022 CV 1 ASSI { 10} ( segid " " and resid 157 and name HE% ) ( segid " " and resid 150 and name HE% ) 2.900 1.000 1.200 peak 10 weight 0.10000E+01 volume 0.26055E-02 ppm1 6.558 ppm2 7.019 CV 1 ASSI { 11} ( segid " " and resid 162 and name HE% ) ( segid " " and resid 162 and name HD% ) 1.900 0.500 0.700 peak 11 weight 0.10000E+01 volume 0.27441E-01 ppm1 6.772 ppm2 6.918 CV 1 ASSI { 12} ( segid " " and resid 128 and name HE% ) ( segid " " and resid 128 and name HD% ) 2.000 0.500 0.700 peak 12 weight 0.10000E+01 volume 0.21528E-01 ppm1 6.675 ppm2 6.840 CV 1 ASSI { 13} (( segid " " and resid 175 and name HZ )) ( segid " " and resid 163 and name HD% ) 3.100 1.200 1.400 peak 13 weight 0.10000E+01 volume 0.16446E-02 ppm1 6.707 ppm2 7.017 CV 1 ASSI { 15} ( segid " " and resid 157 and name HD% ) ( segid " " and resid 150 and name HE% ) 2.500 0.800 1.000 peak 15 weight 0.10000E+01 volume 0.55990E-02 ppm1 6.885 ppm2 7.018 CV 1 ASSI { 18} ( segid " " and resid 225 and name HD% ) ( segid " " and resid 226 and name HD% ) 3.100 1.200 1.400 peak 18 weight 0.10000E+01 volume 0.15707E-02 ppm1 6.692 ppm2 7.208 CV 1 ASSI { 19} ( segid " " and resid 157 and name HE% ) ( segid " " and resid 198 and name HD% ) 2.700 0.900 1.100 peak 19 weight 0.10000E+01 volume 0.32615E-02 ppm1 6.562 ppm2 7.347 CV 1 ASSI { 24} (( segid " " and resid 175 and name HZ )) ( segid " " and resid 175 and name HE% ) 2.600 0.800 1.000 peak 24 weight 0.10000E+01 volume 0.48507E-02 ppm1 6.698 ppm2 7.684 CV 1 ASSI { 25} ( segid " " and resid 157 and name HE% ) ( segid " " and resid 150 and name HD% ) 2.800 1.000 1.200 peak 25 weight 0.10000E+01 volume 0.31506E-02 ppm1 6.559 ppm2 7.545 CV 1 ASSI { 26} ( segid " " and resid 150 and name HE% ) ( segid " " and resid 150 and name HD% ) 2.200 0.600 0.800 peak 26 weight 0.10000E+01 volume 0.11919E-01 ppm1 7.023 ppm2 7.545 CV 1 ASSI { 28} ( segid " " and resid 163 and name HD% ) ( segid " " and resid 175 and name HE% ) 2.800 1.000 1.200 peak 28 weight 0.10000E+01 volume 0.26425E-02 ppm1 7.024 ppm2 7.683 CV 1 ASSI { 31} ( segid " " and resid 175 and name HD% ) ( segid " " and resid 175 and name HE% ) 2.600 0.800 1.000 peak 31 weight 0.10000E+01 volume 0.50724E-02 ppm1 7.303 ppm2 7.685 CV 1 ASSI { 37} (( segid " " and resid 130 and name HA )) (( segid " " and resid 162 and name HA )) 2.200 0.600 0.800 peak 37 weight 0.10000E+01 volume 0.44718E-02 ppm1 4.528 ppm2 5.554 CV 1 ASSI { 40} (( segid " " and resid 131 and name HA2 )) ( segid " " and resid 163 and name HE% ) 2.500 0.800 1.000 peak 40 weight 0.10000E+01 volume 0.33169E-02 ppm1 4.432 ppm2 6.469 CV 1 ASSI { 41} (( segid " " and resid 131 and name HA1 )) ( segid " " and resid 163 and name HE% ) 2.600 0.800 1.000 peak 41 weight 0.10000E+01 volume 0.28457E-02 ppm1 4.027 ppm2 6.469 CV 1 ASSI { 43} (( segid " " and resid 150 and name HA )) ( segid " " and resid 157 and name HE% ) 2.800 1.000 1.200 peak 43 weight 0.10000E+01 volume 0.15707E-02 ppm1 4.133 ppm2 6.559 CV 1 ASSI { 45} (( segid " " and resid 149 and name HA )) ( segid " " and resid 149 and name HD% ) 2.500 0.800 1.000 peak 45 weight 0.10000E+01 volume 0.34833E-02 ppm1 3.840 ppm2 6.953 CV 1 ASSI { 46} (( segid " " and resid 183 and name HA )) ( segid " " and resid 162 and name HE% ) 2.600 0.800 1.000 peak 46 weight 0.10000E+01 volume 0.27349E-02 ppm1 4.090 ppm2 6.769 CV 1 ASSI { 52} (( segid " " and resid 202 and name HA )) ( segid " " and resid 157 and name HE% ) 2.900 1.000 1.200 peak 52 weight 0.10000E+01 volume 0.14598E-02 ppm1 4.608 ppm2 6.559 CV 1 ASSI { 55} (( segid " " and resid 163 and name HA )) ( segid " " and resid 163 and name HD% ) 2.900 1.000 1.200 peak 55 weight 0.10000E+01 volume 0.14229E-02 ppm1 4.783 ppm2 7.019 CV 1 ASSI { 58} (( segid " " and resid 147 and name HA )) ( segid " " and resid 141 and name HD% ) 2.400 0.700 0.900 peak 58 weight 0.10000E+01 volume 0.43425E-02 ppm1 4.689 ppm2 7.335 CV 1 ASSI { 60} (( segid " " and resid 130 and name HA )) ( segid " " and resid 163 and name HD% ) 2.700 0.900 1.100 peak 60 weight 0.10000E+01 volume 0.20326E-02 ppm1 4.525 ppm2 7.021 CV 1 ASSI { 66} (( segid " " and resid 214 and name HA )) ( segid " " and resid 175 and name HD% ) 2.800 2.800 3.200 peak 66 weight 0.10000E+01 volume 0.18294E-02 ppm1 4.446 ppm2 7.304 CV 1 ASSI { 73} (( segid " " and resid 202 and name HA )) ( segid " " and resid 198 and name HD% ) 3.000 1.100 1.300 peak 73 weight 0.10000E+01 volume 0.11734E-02 ppm1 4.610 ppm2 7.346 CV 1 ASSI { 74} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HD2 )) 3.000 1.100 1.300 peak 74 weight 0.10000E+01 volume 0.11919E-02 ppm1 4.593 ppm2 6.980 CV 1 ASSI { 75} (( segid " " and resid 150 and name HA )) ( segid " " and resid 150 and name HD% ) 2.300 0.700 0.900 peak 75 weight 0.10000E+01 volume 0.54235E-02 ppm1 4.138 ppm2 7.545 CV 1 ASSI { 76} (( segid " " and resid 191 and name HB )) ( segid " " and resid 198 and name HE% ) 2.800 1.000 1.200 peak 76 weight 0.10000E+01 volume 0.17370E-02 ppm1 4.129 ppm2 7.462 CV 1 ASSI { 82} (( segid " " and resid 183 and name HA )) ( segid " " and resid 162 and name HD% ) 2.200 0.600 0.800 peak 82 weight 0.10000E+01 volume 0.72714E-02 ppm1 4.090 ppm2 6.919 CV 1 ASSI { 83} (( segid " " and resid 205 and name HA )) ( segid " " and resid 141 and name HE% ) 2.600 0.800 1.000 peak 83 weight 0.10000E+01 volume 0.27718E-02 ppm1 4.146 ppm2 6.884 CV 1 ASSI { 85} (( segid " " and resid 151 and name HA )) ( segid " " and resid 150 and name HD% ) 2.900 1.100 1.300 peak 85 weight 0.10000E+01 volume 0.13305E-02 ppm1 3.944 ppm2 7.545 CV 1 ASSI { 86} (( segid " " and resid 222 and name HA )) ( segid " " and resid 226 and name HD% ) 3.000 1.200 1.400 peak 86 weight 0.10000E+01 volume 0.10348E-02 ppm1 3.925 ppm2 7.236 CV 1 ASSI { 89} (( segid " " and resid 198 and name HB1 )) (( segid " " and resid 198 and name HA )) 2.400 0.700 0.900 peak 89 weight 0.10000E+01 volume 0.24947E-02 ppm1 3.157 ppm2 5.319 CV 1 ASSI { 90} (( segid " " and resid 198 and name HB2 )) (( segid " " and resid 198 and name HA )) 2.500 0.800 1.000 peak 90 weight 0.10000E+01 volume 0.20973E-02 ppm1 2.949 ppm2 5.320 CV 1 ASSI { 100} ( segid " " and resid 182 and name HG2%) ( segid " " and resid 128 and name HD% ) 2.700 0.900 1.100 peak 100 weight 0.10000E+01 volume 0.22914E-02 ppm1 0.303 ppm2 6.835 CV 1 ASSI { 105} ( segid " " and resid 139 and name HD1%) ( segid " " and resid 141 and name HE% ) 2.900 1.100 1.300 peak 105 weight 0.10000E+01 volume 0.13212E-02 ppm1 0.481 ppm2 6.896 CV 1 ASSI { 111} ( segid " " and resid 201 and name HG2%) ( segid " " and resid 149 and name HD% ) 2.600 0.900 1.100 peak 111 weight 0.10000E+01 volume 0.24300E-02 ppm1 0.720 ppm2 6.950 CV 1 ASSI { 114} (( segid " " and resid 139 and name HB )) ( segid " " and resid 141 and name HE% ) 2.500 0.800 1.000 peak 114 weight 0.10000E+01 volume 0.29473E-02 ppm1 0.881 ppm2 6.900 CV 1 OR { 114} (( segid " " and resid 139 and name HG11)) ( segid " " and resid 141 and name HE% ) ASSI { 115} (( segid " " and resid 182 and name HG11)) ( segid " " and resid 128 and name HD% ) 2.900 1.000 1.200 peak 115 weight 0.10000E+01 volume 0.14229E-02 ppm1 0.898 ppm2 6.838 CV 1 ASSI { 118} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 163 and name HE% ) 3.000 1.200 1.400 peak 118 weight 0.10000E+01 volume 0.10071E-02 ppm1 0.918 ppm2 6.469 CV 1 ASSI { 120} (( segid " " and resid 130 and name HB2 )) ( segid " " and resid 162 and name HE% ) 2.800 1.000 1.200 peak 120 weight 0.10000E+01 volume 0.17093E-02 ppm1 0.977 ppm2 6.772 CV 1 ASSI { 126} (( segid " " and resid 139 and name HB )) ( segid " " and resid 141 and name HD% ) 3.100 1.200 1.400 peak 126 weight 0.10000E+01 volume 0.97937E-03 ppm1 0.883 ppm2 7.338 CV 1 OR { 126} (( segid " " and resid 139 and name HG11)) ( segid " " and resid 141 and name HD% ) ASSI { 137} (( segid " " and resid 150 and name HB1 )) ( segid " " and resid 150 and name HD% ) 2.500 0.800 1.000 peak 137 weight 0.10000E+01 volume 0.35202E-02 ppm1 3.576 ppm2 7.545 CV 1 ASSI { 140} (( segid " " and resid 146 and name HA )) ( segid " " and resid 145 and name HD% ) 2.800 1.000 1.200 peak 140 weight 0.10000E+01 volume 0.16354E-02 ppm1 3.585 ppm2 7.071 CV 1 ASSI { 141} (( segid " " and resid 205 and name HB2 )) ( segid " " and resid 150 and name HD% ) 2.700 0.900 1.100 peak 141 weight 0.10000E+01 volume 0.19772E-02 ppm1 1.960 ppm2 7.545 CV 1 ASSI { 142} (( segid " " and resid 218 and name HB1 )) ( segid " " and resid 218 and name HD% ) 2.700 0.900 1.100 peak 142 weight 0.10000E+01 volume 0.18848E-02 ppm1 3.117 ppm2 6.229 CV 1 ASSI { 144} (( segid " " and resid 175 and name HB2 )) ( segid " " and resid 218 and name HD% ) 2.800 1.000 1.200 peak 144 weight 0.10000E+01 volume 0.18017E-02 ppm1 2.733 ppm2 6.230 CV 1 ASSI { 146} (( segid " " and resid 130 and name HG )) ( segid " " and resid 162 and name HE% ) 2.800 1.000 1.200 peak 146 weight 0.10000E+01 volume 0.16446E-02 ppm1 1.382 ppm2 6.773 CV 1 ASSI { 149} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 150 and name HE% ) 2.700 0.900 1.100 peak 149 weight 0.10000E+01 volume 0.22544E-02 ppm1 1.336 ppm2 6.982 CV 1 ASSI { 156} (( segid " " and resid 205 and name HB1 )) ( segid " " and resid 150 and name HD% ) 3.000 1.100 1.300 peak 156 weight 0.10000E+01 volume 0.11457E-02 ppm1 2.330 ppm2 7.543 CV 1 ASSI { 160} (( segid " " and resid 163 and name HB2 )) ( segid " " and resid 175 and name HE% ) 3.000 1.100 1.300 peak 160 weight 0.10000E+01 volume 0.11457E-02 ppm1 2.629 ppm2 7.680 CV 1 OR { 160} (( segid " " and resid 163 and name HB1 )) ( segid " " and resid 175 and name HE% ) ASSI { 163} (( segid " " and resid 202 and name HB2 )) ( segid " " and resid 198 and name HD% ) 2.600 0.800 1.000 peak 163 weight 0.10000E+01 volume 0.26147E-02 ppm1 2.679 ppm2 7.348 CV 1 ASSI { 164} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 141 and name HD% ) 2.300 0.700 0.900 peak 164 weight 0.10000E+01 volume 0.51649E-02 ppm1 2.815 ppm2 7.334 CV 1 ASSI { 166} (( segid " " and resid 198 and name HB2 )) ( segid " " and resid 198 and name HD% ) 2.300 0.700 0.900 peak 166 weight 0.10000E+01 volume 0.49708E-02 ppm1 2.944 ppm2 7.348 CV 1 ASSI { 167} (( segid " " and resid 198 and name HB1 )) ( segid " " and resid 198 and name HD% ) 2.400 0.700 0.900 peak 167 weight 0.10000E+01 volume 0.42963E-02 ppm1 3.156 ppm2 7.348 CV 1 ASSI { 169} (( segid " " and resid 141 and name HB1 )) ( segid " " and resid 141 and name HD% ) 2.300 0.700 0.900 peak 169 weight 0.10000E+01 volume 0.56730E-02 ppm1 3.362 ppm2 7.336 CV 1 ASSI { 171} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HD2 )) 2.600 2.600 3.400 peak 171 weight 0.10000E+01 volume 0.23468E-02 ppm1 3.264 ppm2 7.209 CV 1 ASSI { 173} (( segid " " and resid 226 and name HB1 )) ( segid " " and resid 226 and name HD% ) 2.500 0.800 1.000 peak 173 weight 0.10000E+01 volume 0.35109E-02 ppm1 3.169 ppm2 7.209 CV 1 ASSI { 176} (( segid " " and resid 226 and name HB2 )) ( segid " " and resid 226 and name HD% ) 2.500 0.800 1.000 peak 176 weight 0.10000E+01 volume 0.37235E-02 ppm1 2.955 ppm2 7.211 CV 1 ASSI { 177} (( segid " " and resid 145 and name HB2 )) ( segid " " and resid 145 and name HD% ) 2.400 0.700 0.900 peak 177 weight 0.10000E+01 volume 0.42132E-02 ppm1 2.853 ppm2 7.070 CV 1 ASSI { 178} (( segid " " and resid 145 and name HB1 )) ( segid " " and resid 145 and name HD% ) 2.400 0.700 0.900 peak 178 weight 0.10000E+01 volume 0.39083E-02 ppm1 3.270 ppm2 7.070 CV 1 ASSI { 180} (( segid " " and resid 187 and name HB2 )) (( segid " " and resid 187 and name HD2 )) 2.500 0.800 1.000 peak 180 weight 0.10000E+01 volume 0.31876E-02 ppm1 3.165 ppm2 6.981 CV 1 ASSI { 184} (( segid " " and resid 154 and name HA )) ( segid " " and resid 157 and name HD% ) 2.400 0.700 0.900 peak 184 weight 0.10000E+01 volume 0.46012E-02 ppm1 3.439 ppm2 6.873 CV 1 ASSI { 185} (( segid " " and resid 163 and name HB2 )) ( segid " " and resid 163 and name HD% ) 2.500 0.800 1.000 peak 185 weight 0.10000E+01 volume 0.34371E-02 ppm1 2.639 ppm2 7.021 CV 1 OR { 185} (( segid " " and resid 163 and name HB1 )) ( segid " " and resid 163 and name HD% ) ASSI { 188} (( segid " " and resid 162 and name HB1 )) ( segid " " and resid 128 and name HD% ) 2.700 0.900 1.100 peak 188 weight 0.10000E+01 volume 0.22452E-02 ppm1 2.614 ppm2 6.870 CV 1 ASSI { 190} (( segid " " and resid 146 and name HG1 )) ( segid " " and resid 145 and name HD% ) 2.600 0.900 1.100 peak 190 weight 0.10000E+01 volume 0.23930E-02 ppm1 2.268 ppm2 7.070 CV 1 ASSI { 191} (( segid " " and resid 154 and name HG2 )) ( segid " " and resid 150 and name HE% ) 3.000 1.100 1.300 peak 191 weight 0.10000E+01 volume 0.11364E-02 ppm1 2.173 ppm2 7.018 CV 1 ASSI { 194} (( segid " " and resid 186 and name HG1 )) ( segid " " and resid 162 and name HD% ) 3.000 1.100 1.300 peak 194 weight 0.10000E+01 volume 0.10717E-02 ppm1 2.070 ppm2 6.917 CV 1 ASSI { 199} (( segid " " and resid 146 and name HG2 )) ( segid " " and resid 145 and name HD% ) 2.800 1.000 1.200 peak 199 weight 0.10000E+01 volume 0.15338E-02 ppm1 1.876 ppm2 7.069 CV 1 ASSI { 220} (( segid " " and resid 157 and name HB2 )) ( segid " " and resid 157 and name HD% ) 2.300 0.700 0.900 peak 220 weight 0.10000E+01 volume 0.49892E-02 ppm1 3.126 ppm2 6.874 CV 1 OR { 220} (( segid " " and resid 157 and name HB1 )) ( segid " " and resid 157 and name HD% ) ASSI { 222} (( segid " " and resid 149 and name HB1 )) ( segid " " and resid 149 and name HD% ) 2.400 0.700 0.900 peak 222 weight 0.10000E+01 volume 0.46382E-02 ppm1 2.881 ppm2 6.952 CV 1 ASSI { 223} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 149 and name HD% ) 1.900 0.400 0.600 peak 223 weight 0.10000E+01 volume 0.31599E-01 ppm1 6.875 ppm2 6.953 CV 1 ASSI { 227} (( segid " " and resid 225 and name HB1 )) ( segid " " and resid 225 and name HD% ) 2.400 0.700 0.900 peak 227 weight 0.10000E+01 volume 0.38251E-02 ppm1 3.017 ppm2 6.699 CV 1 ASSI { 229} (( segid " " and resid 128 and name HB1 )) ( segid " " and resid 128 and name HD% ) 2.200 0.600 0.800 peak 229 weight 0.10000E+01 volume 0.63013E-02 ppm1 2.871 ppm2 6.838 CV 1 OR { 229} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 128 and name HD% ) ASSI { 231} (( segid " " and resid 145 and name HB1 )) ( segid " " and resid 145 and name HE% ) 3.000 3.000 3.000 peak 231 weight 0.10000E+01 volume 0.11180E-02 ppm1 3.266 ppm2 6.764 CV 1 ASSI { 232} (( segid " " and resid 150 and name HB2 )) ( segid " " and resid 150 and name HD% ) 2.500 0.800 1.000 peak 232 weight 0.10000E+01 volume 0.35571E-02 ppm1 3.279 ppm2 7.545 CV 1 ASSI { 234} (( segid " " and resid 149 and name HB2 )) ( segid " " and resid 149 and name HD% ) 2.300 0.700 0.900 peak 234 weight 0.10000E+01 volume 0.54882E-02 ppm1 2.613 ppm2 6.949 CV 1 ASSI { 235} (( segid " " and resid 162 and name HB1 )) ( segid " " and resid 162 and name HD% ) 2.300 0.700 0.900 peak 235 weight 0.10000E+01 volume 0.48692E-02 ppm1 2.605 ppm2 6.920 CV 1 OR { 235} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HD% ) ASSI { 241} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 141 and name HD% ) 2.100 0.600 0.800 peak 241 weight 0.10000E+01 volume 0.15152E-01 ppm1 6.896 ppm2 7.334 CV 1 ASSI { 243} ( segid " " and resid 198 and name HD% ) ( segid " " and resid 198 and name HE% ) 2.100 0.500 0.700 peak 243 weight 0.10000E+01 volume 0.16538E-01 ppm1 7.351 ppm2 7.465 CV 1 ASSI { 248} ( segid " " and resid 139 and name HG2%) ( segid " " and resid 141 and name HD% ) 2.900 1.000 1.200 peak 248 weight 0.10000E+01 volume 0.13674E-02 ppm1 -0.024 ppm2 7.335 CV 1 ASSI { 271} (( segid " " and resid 206 and name HG2 )) ( segid " " and resid 157 and name HE% ) 2.400 0.700 0.900 peak 271 weight 0.10000E+01 volume 0.41485E-02 ppm1 1.608 ppm2 6.565 CV 1 ASSI { 272} (( segid " " and resid 206 and name HG1 )) ( segid " " and resid 157 and name HE% ) 2.700 0.900 1.100 peak 272 weight 0.10000E+01 volume 0.23191E-02 ppm1 1.953 ppm2 6.560 CV 1 ASSI { 275} (( segid " " and resid 153 and name HB1 )) ( segid " " and resid 157 and name HE% ) 2.900 1.000 1.200 peak 275 weight 0.10000E+01 volume 0.14136E-02 ppm1 2.150 ppm2 6.558 CV 1 OR { 275} (( segid " " and resid 153 and name HB2 )) ( segid " " and resid 157 and name HE% ) ASSI { 276} (( segid " " and resid 221 and name HG2 )) ( segid " " and resid 163 and name HE% ) 2.800 1.000 1.200 peak 276 weight 0.10000E+01 volume 0.17462E-02 ppm1 2.217 ppm2 6.468 CV 1 ASSI { 281} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 162 and name HE% ) 2.600 0.800 1.000 peak 281 weight 0.10000E+01 volume 0.27626E-02 ppm1 1.984 ppm2 6.770 CV 1 ASSI { 282} (( segid " " and resid 186 and name HB2 )) ( segid " " and resid 162 and name HE% ) 2.700 0.900 1.100 peak 282 weight 0.10000E+01 volume 0.22544E-02 ppm1 1.901 ppm2 6.772 CV 1 ASSI { 284} (( segid " " and resid 221 and name HB2 )) (( segid " " and resid 175 and name HZ )) 2.900 1.000 1.200 peak 284 weight 0.10000E+01 volume 0.13767E-02 ppm1 1.752 ppm2 6.697 CV 1 ASSI { 292} (( segid " " and resid 206 and name HG2 )) ( segid " " and resid 157 and name HD% ) 2.400 0.700 0.900 peak 292 weight 0.10000E+01 volume 0.38713E-02 ppm1 1.641 ppm2 6.879 CV 1 ASSI { 296} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 150 and name HD% ) 3.100 1.200 1.400 peak 296 weight 0.10000E+01 volume 0.99785E-03 ppm1 1.491 ppm2 7.546 CV 1 ASSI { 297} (( segid " " and resid 147 and name HA )) (( segid " " and resid 140 and name HD2 )) 3.000 1.200 1.400 peak 297 weight 0.10000E+01 volume 0.10348E-02 ppm1 4.690 ppm2 7.238 CV 1 ASSI { 300} (( segid " " and resid 163 and name HB2 )) ( segid " " and resid 163 and name HE% ) 3.000 1.200 1.400 peak 300 weight 0.10000E+01 volume 0.10164E-02 ppm1 2.641 ppm2 6.468 CV 1 OR { 300} (( segid " " and resid 163 and name HB1 )) ( segid " " and resid 163 and name HE% ) ASSI { 302} (( segid " " and resid 206 and name HA )) ( segid " " and resid 157 and name HE% ) 3.000 1.100 1.300 peak 302 weight 0.10000E+01 volume 0.11734E-02 ppm1 3.583 ppm2 6.558 CV 1 ASSI { 303} (( segid " " and resid 146 and name HA )) ( segid " " and resid 145 and name HE% ) 3.100 1.200 1.400 peak 303 weight 0.10000E+01 volume 0.97013E-03 ppm1 3.578 ppm2 6.761 CV 1 ASSI { 305} (( segid " " and resid 220 and name HB1 )) ( segid " " and resid 163 and name HE% ) 3.000 3.000 3.000 peak 305 weight 0.10000E+01 volume 0.10164E-02 ppm1 1.944 ppm2 6.466 CV 1 ASSI { 306} (( segid " " and resid 163 and name HB2 )) (( segid " " and resid 175 and name HZ )) 3.000 1.100 1.300 peak 306 weight 0.10000E+01 volume 0.11919E-02 ppm1 2.630 ppm2 6.680 CV 1 ASSI { 307} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 175 and name HZ )) 3.000 3.000 3.000 peak 307 weight 0.10000E+01 volume 0.10902E-02 ppm1 2.705 ppm2 6.694 CV 1 ASSI { 308} (( segid " " and resid 228 and name HD1 )) ( segid " " and resid 225 and name HD% ) 3.100 1.200 1.400 peak 308 weight 0.10000E+01 volume 0.99785E-03 ppm1 3.157 ppm2 6.678 CV 1 OR { 308} (( segid " " and resid 228 and name HD2 )) ( segid " " and resid 225 and name HD% ) OR { 308} (( segid " " and resid 228 and name HD1 )) ( segid " " and resid 225 and name HE% ) ASSI { 310} (( segid " " and resid 172 and name HB1 )) ( segid " " and resid 218 and name HE% ) 2.600 0.900 1.100 peak 310 weight 0.10000E+01 volume 0.24114E-02 ppm1 2.943 ppm2 6.564 CV 1 OR { 310} (( segid " " and resid 172 and name HB2 )) ( segid " " and resid 218 and name HE% ) ASSI { 311} (( segid " " and resid 154 and name HA )) ( segid " " and resid 150 and name HE% ) 3.000 1.200 1.400 peak 311 weight 0.10000E+01 volume 0.10071E-02 ppm1 3.437 ppm2 7.018 CV 1 ASSI { 312} (( segid " " and resid 150 and name HB2 )) ( segid " " and resid 157 and name HE% ) 2.900 1.100 1.300 peak 312 weight 0.10000E+01 volume 0.13581E-02 ppm1 3.240 ppm2 6.561 CV 1 ASSI { 313} (( segid " " and resid 177 and name HB2 )) (( segid " " and resid 177 and name HD2 )) 3.000 1.100 1.300 peak 313 weight 0.10000E+01 volume 0.12104E-02 ppm1 3.354 ppm2 7.396 CV 1 ASSI { 315} (( segid " " and resid 175 and name HA )) ( segid " " and resid 175 and name HD% ) 2.800 1.000 1.200 peak 315 weight 0.10000E+01 volume 0.16354E-02 ppm1 2.984 ppm2 7.307 CV 1 ASSI { 316} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HD2 )) 3.000 1.100 1.300 peak 316 weight 0.10000E+01 volume 0.11364E-02 ppm1 4.234 ppm2 7.210 CV 1 ASSI { 320} ( segid " " and resid 218 and name HD% ) ( segid " " and resid 175 and name HD% ) 3.300 1.400 1.600 peak 320 weight 0.10000E+01 volume 0.10071E-02 ppm1 6.225 ppm2 7.306 CV 1 ASSI { 327} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 183 and name HA )) 2.600 0.800 1.000 peak 327 weight 0.10000E+01 volume 0.15707E-02 ppm1 0.302 ppm2 4.090 CV 1 ASSI { 338} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name HD1 )) 2.600 0.900 1.100 peak 338 weight 0.10000E+01 volume 0.14690E-02 ppm1 0.271 ppm2 3.262 CV 1 ASSI { 339} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name HD2 )) 2.700 0.900 1.100 peak 339 weight 0.10000E+01 volume 0.10902E-02 ppm1 0.270 ppm2 3.089 CV 1 ASSI { 289} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 149 and name HE% ) 2.500 0.800 1.000 peak 289 weight 0.10000E+01 volume 0.31229E-02 ppm1 1.490 ppm2 6.875 CV 1 ASSI { 290} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 149 and name HD% ) 2.300 0.700 0.900 peak 290 weight 0.10000E+01 volume 0.50724E-02 ppm1 1.489 ppm2 6.952 CV 1 !ambigous NOE restraints in aria format ASSI { 20} (( segid " " and resid 190 and name HB )) ( segid " " and resid 189 and name HG2%) 2.600 2.600 3.400 peak 20 weight 0.10000E+01 volume 0.28669E-02 ppm1 4.279 ppm2 0.983 CV 1 OR { 20} (( segid " " and resid 190 and name HB )) ( segid " " and resid 191 and name HG2%) ASSI { 21} (( segid " " and resid 192 and name HB )) ( segid " " and resid 189 and name HG2%) 3.000 3.000 3.000 peak 21 weight 0.10000E+01 volume 0.13640E-02 ppm1 4.373 ppm2 0.988 CV 1 OR { 21} (( segid " " and resid 192 and name HB )) ( segid " " and resid 191 and name HG2%) ASSI { 2574} (( segid " " and resid 191 and name HB )) (( segid " " and resid 196 and name HG2 )) 2.600 2.600 3.400 peak 2574 weight 0.10000E+01 volume 0.26498E-02 ppm1 4.137 ppm2 1.964 CV 1 OR { 2574} (( segid " " and resid 191 and name HB )) (( segid " " and resid 194 and name HB1 )) OR { 2574} (( segid " " and resid 191 and name HB )) (( segid " " and resid 186 and name HB1 )) ASSI { 13} (( segid " " and resid 191 and name HB )) (( segid " " and resid 196 and name HG1 )) 2.700 2.700 3.300 peak 13 weight 0.10000E+01 volume 0.22805E-02 ppm1 4.136 ppm2 2.082 CV 1 OR { 13} (( segid " " and resid 191 and name HB )) (( segid " " and resid 156 and name HB1 )) ASSI { 8} (( segid " " and resid 183 and name HA )) ( segid " " and resid 190 and name HG2%) 3.100 3.100 2.900 peak 8 weight 0.10000E+01 volume 0.10143E-02 ppm1 4.102 ppm2 1.275 CV 1 OR { 8} (( segid " " and resid 183 and name HA )) (( segid " " and resid 158 and name HG2 )) OR { 8} (( segid " " and resid 183 and name HA )) ( segid " " and resid 188 and name HG2%) ASSI { 24} (( segid " " and resid 188 and name HB )) (( segid " " and resid 185 and name HB2 )) 3.300 3.300 2.700 peak 24 weight 0.10000E+01 volume 0.66243E-03 ppm1 4.470 ppm2 1.932 CV 1 OR { 24} (( segid " " and resid 188 and name HB )) (( segid " " and resid 185 and name HB1 )) OR { 24} (( segid " " and resid 188 and name HB )) (( segid " " and resid 186 and name HB2 )) OR { 24} (( segid " " and resid 188 and name HB )) (( segid " " and resid 206 and name HG1 )) OR { 24} (( segid " " and resid 188 and name HB )) (( segid " " and resid 206 and name HB1 )) ASSI { 16} (( segid " " and resid 183 and name HA )) (( segid " " and resid 162 and name HB2 )) 2.800 1.000 1.200 peak 16 weight 0.10000E+01 volume 0.18222E-02 ppm1 4.090 ppm2 2.596 CV 1 OR { 16} (( segid " " and resid 183 and name HA )) (( segid " " and resid 161 and name HB )) ASSI { 43} (( segid " " and resid 201 and name HB )) ( segid " " and resid 205 and name HE% ) 3.100 1.200 1.400 peak 43 weight 0.10000E+01 volume 0.10859E-02 ppm1 3.725 ppm2 1.459 CV 1 OR { 43} (( segid " " and resid 201 and name HB )) ( segid " " and resid 199 and name HG2%) ASSI { 44} (( segid " " and resid 201 and name HB )) (( segid " " and resid 204 and name HB1 )) 3.000 3.000 3.000 peak 44 weight 0.10000E+01 volume 0.12771E-02 ppm1 3.720 ppm2 1.970 CV 1 OR { 44} (( segid " " and resid 201 and name HB )) (( segid " " and resid 204 and name HB2 )) OR { 44} (( segid " " and resid 201 and name HB )) (( segid " " and resid 205 and name HB2 )) ASSI { 50} (( segid " " and resid 183 and name HB )) (( segid " " and resid 184 and name HG11)) 3.000 1.100 1.300 peak 50 weight 0.10000E+01 volume 0.12250E-02 ppm1 4.499 ppm2 1.117 CV 1 OR { 50} (( segid " " and resid 183 and name HB )) ( segid " " and resid 180 and name HG1%) ASSI { 54} (( segid " " and resid 216 and name HB )) (( segid " " and resid 213 and name HG2 )) 3.300 1.400 1.600 peak 54 weight 0.10000E+01 volume 0.70587E-03 ppm1 4.333 ppm2 2.486 CV 1 OR { 54} (( segid " " and resid 216 and name HB )) (( segid " " and resid 134 and name HG1 )) ASSI { 48} (( segid " " and resid 183 and name HB )) ( segid " " and resid 210 and name HG2%) 2.700 0.900 1.100 peak 48 weight 0.10000E+01 volume 0.21567E-02 ppm1 4.500 ppm2 0.962 CV 1 OR { 48} (( segid " " and resid 183 and name HB )) ( segid " " and resid 161 and name HG1%) ASSI { 53} (( segid " " and resid 216 and name HB )) (( segid " " and resid 215 and name HB )) 3.100 1.200 1.400 peak 53 weight 0.10000E+01 volume 0.10099E-02 ppm1 4.336 ppm2 2.044 CV 1 OR { 53} (( segid " " and resid 216 and name HB )) (( segid " " and resid 219 and name HB2 )) OR { 53} (( segid " " and resid 216 and name HB )) (( segid " " and resid 137 and name HG1 )) OR { 53} (( segid " " and resid 216 and name HB )) (( segid " " and resid 134 and name HB1 )) ASSI { 55} (( segid " " and resid 183 and name HB )) ( segid " " and resid 213 and name HE% ) 3.300 1.400 1.600 peak 55 weight 0.10000E+01 volume 0.67112E-03 ppm1 4.505 ppm2 1.889 CV 1 OR { 55} (( segid " " and resid 183 and name HB )) (( segid " " and resid 186 and name HB2 )) OR { 55} (( segid " " and resid 183 and name HB )) (( segid " " and resid 184 and name HG12)) ASSI { 66} (( segid " " and resid 203 and name HA )) ( segid " " and resid 203 and name HG2%) 2.200 2.200 3.800 peak 66 weight 0.10000E+01 volume 0.86224E-02 ppm1 3.317 ppm2 0.918 CV 1 OR { 66} (( segid " " and resid 203 and name HA )) ( segid " " and resid 184 and name HG2%) ASSI { 102} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HE2 )) 2.900 1.100 1.300 peak 102 weight 0.10000E+01 volume 0.14378E-02 ppm1 3.817 ppm2 2.941 CV 1 OR { 102} (( segid " " and resid 201 and name HA )) (( segid " " and resid 205 and name HG1 )) OR { 102} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HE1 )) ASSI { 99} (( segid " " and resid 201 and name HA )) ( segid " " and resid 205 and name HE% ) 2.900 2.900 3.100 peak 99 weight 0.10000E+01 volume 0.15312E-02 ppm1 3.815 ppm2 1.453 CV 1 OR { 99} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HG2 )) ASSI { 100} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HD2 )) 2.900 1.000 1.200 peak 100 weight 0.10000E+01 volume 0.16550E-02 ppm1 3.817 ppm2 1.712 CV 1 OR { 100} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HD1 )) OR { 100} (( segid " " and resid 201 and name HA )) (( segid " " and resid 200 and name HD1 )) ASSI { 97} (( segid " " and resid 210 and name HA )) (( segid " " and resid 213 and name HG2 )) 3.400 1.400 1.600 peak 97 weight 0.10000E+01 volume 0.62985E-03 ppm1 3.671 ppm2 2.473 CV 1 OR { 97} (( segid " " and resid 210 and name HA )) (( segid " " and resid 212 and name HG1 )) ASSI { 98} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HG1 )) 3.100 1.200 1.400 peak 98 weight 0.10000E+01 volume 0.11251E-02 ppm1 3.812 ppm2 1.615 CV 1 OR { 98} (( segid " " and resid 201 and name HA )) (( segid " " and resid 200 and name HG2 )) ASSI { 2720} (( segid " " and resid 210 and name HA )) ( segid " " and resid 210 and name HG2%) 2.000 0.500 0.700 peak 2720 weight 0.10000E+01 volume 0.12250E-01 ppm1 3.677 ppm2 0.958 CV 1 OR { 2720} (( segid " " and resid 180 and name HA )) ( segid " " and resid 180 and name HG2%) ASSI { 2721} (( segid " " and resid 184 and name HA )) (( segid " " and resid 184 and name HG11)) 2.200 0.600 0.800 peak 2721 weight 0.10000E+01 volume 0.90134E-02 ppm1 3.679 ppm2 1.116 CV 1 OR { 2721} (( segid " " and resid 180 and name HA )) ( segid " " and resid 180 and name HG1%) ASSI { 108} (( segid " " and resid 210 and name HA )) (( segid " " and resid 158 and name HB2 )) 3.300 1.400 1.600 peak 108 weight 0.10000E+01 volume 0.69501E-03 ppm1 3.691 ppm2 1.631 CV 1 OR { 108} (( segid " " and resid 184 and name HA )) (( segid " " and resid 206 and name HB2 )) OR { 108} (( segid " " and resid 180 and name HA )) (( segid " " and resid 182 and name HB )) OR { 108} (( segid " " and resid 184 and name HA )) (( segid " " and resid 206 and name HG2 )) OR { 108} (( segid " " and resid 184 and name HA )) (( segid " " and resid 158 and name HB2 )) OR { 108} (( segid " " and resid 210 and name HA )) (( segid " " and resid 206 and name HG2 )) OR { 108} (( segid " " and resid 184 and name HA )) (( segid " " and resid 186 and name HG2 )) ASSI { 118} (( segid " " and resid 180 and name HA )) (( segid " " and resid 181 and name HA )) 3.400 1.200 1.400 peak 118 weight 0.10000E+01 volume 0.94695E-03 ppm1 3.681 ppm2 4.340 CV 1 OR { 118} (( segid " " and resid 180 and name HA )) (( segid " " and resid 177 and name HA )) OR { 118} (( segid " " and resid 184 and name HA )) (( segid " " and resid 181 and name HA )) ASSI { 105} (( segid " " and resid 180 and name HA )) ( segid " " and resid 184 and name HD1%) 2.400 0.700 0.900 peak 105 weight 0.10000E+01 volume 0.43221E-02 ppm1 3.687 ppm2 0.811 CV 1 OR { 105} (( segid " " and resid 184 and name HA )) ( segid " " and resid 184 and name HD1%) ASSI { 113} (( segid " " and resid 184 and name HA )) (( segid " " and resid 183 and name HA )) 3.000 3.000 3.000 peak 113 weight 0.10000E+01 volume 0.12380E-02 ppm1 3.683 ppm2 4.117 CV 1 OR { 113} (( segid " " and resid 184 and name HA )) (( segid " " and resid 188 and name HA )) OR { 113} (( segid " " and resid 180 and name HA )) (( segid " " and resid 183 and name HA )) ASSI { 137} (( segid " " and resid 188 and name HA )) (( segid " " and resid 206 and name HG1 )) 3.300 3.300 2.700 peak 137 weight 0.10000E+01 volume 0.64940E-03 ppm1 4.133 ppm2 1.978 CV 1 OR { 137} (( segid " " and resid 188 and name HA )) (( segid " " and resid 186 and name HB1 )) OR { 137} (( segid " " and resid 188 and name HA )) (( segid " " and resid 206 and name HB1 )) OR { 137} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 146 and name HB1 )) OR { 137} (( segid " " and resid 188 and name HA )) (( segid " " and resid 196 and name HG2 )) ASSI { 134} (( segid " " and resid 189 and name HA )) ( segid " " and resid 190 and name HG2%) 2.600 2.600 3.400 peak 134 weight 0.10000E+01 volume 0.29755E-02 ppm1 3.962 ppm2 1.299 CV 1 OR { 134} (( segid " " and resid 189 and name HA )) ( segid " " and resid 192 and name HG2%) OR { 134} (( segid " " and resid 189 and name HA )) ( segid " " and resid 193 and name HG2%) ASSI { 214} (( segid " " and resid 222 and name HB2 )) (( segid " " and resid 219 and name HG2 )) 3.300 1.400 1.600 peak 214 weight 0.10000E+01 volume 0.65591E-03 ppm1 3.414 ppm2 2.377 CV 1 OR { 214} (( segid " " and resid 222 and name HB2 )) (( segid " " and resid 219 and name HB1 )) OR { 214} (( segid " " and resid 222 and name HB2 )) (( segid " " and resid 223 and name HG2 )) ASSI { 220} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HB )) 2.300 0.700 0.900 peak 220 weight 0.10000E+01 volume 0.55601E-02 ppm1 3.776 ppm2 1.610 CV 1 OR { 220} (( segid " " and resid 182 and name HA )) (( segid " " and resid 185 and name HD1 )) ASSI { 225} (( segid " " and resid 182 and name HA )) (( segid " " and resid 185 and name HE2 )) 3.100 1.200 1.400 peak 225 weight 0.10000E+01 volume 0.10491E-02 ppm1 3.779 ppm2 2.897 CV 1 OR { 225} (( segid " " and resid 182 and name HA )) (( segid " " and resid 185 and name HE1 )) OR { 225} (( segid " " and resid 182 and name HA )) (( segid " " and resid 181 and name HB1 )) ASSI { 253} (( segid " " and resid 175 and name HA )) (( segid " " and resid 175 and name HZ )) 3.300 3.300 2.700 peak 253 weight 0.10000E+01 volume 0.36488E-03 ppm1 2.989 ppm2 6.708 CV 1 OR { 253} (( segid " " and resid 175 and name HA )) ( segid " " and resid 128 and name HE% ) ASSI { 275} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HG2 )) 3.300 1.400 1.600 peak 275 weight 0.10000E+01 volume 0.71021E-03 ppm1 4.210 ppm2 1.561 CV 1 OR { 275} (( segid " " and resid 145 and name HA )) (( segid " " and resid 146 and name HB2 )) ASSI { 262} (( segid " " and resid 222 and name HA )) (( segid " " and resid 219 and name HG2 )) 3.200 3.200 2.800 peak 262 weight 0.10000E+01 volume 0.91437E-03 ppm1 3.926 ppm2 2.346 CV 1 OR { 262} (( segid " " and resid 222 and name HA )) (( segid " " and resid 219 and name HB1 )) OR { 262} (( segid " " and resid 222 and name HA )) (( segid " " and resid 227 and name HG1 )) ASSI { 278} (( segid " " and resid 207 and name HA )) ( segid " " and resid 210 and name HG2%) 2.400 2.400 3.600 peak 278 weight 0.10000E+01 volume 0.47130E-02 ppm1 3.679 ppm2 0.976 CV 1 OR { 278} (( segid " " and resid 207 and name HA )) ( segid " " and resid 180 and name HG2%) ASSI { 327} (( segid " " and resid 185 and name HA )) (( segid " " and resid 185 and name HG2 )) 3.200 0.800 1.000 peak 327 weight 0.10000E+01 volume 0.73193E-02 ppm1 4.060 ppm2 1.505 CV 1 OR { 327} (( segid " " and resid 200 and name HA )) (( segid " " and resid 200 and name HG1 )) ASSI { 326} (( segid " " and resid 200 and name HA )) (( segid " " and resid 200 and name HG2 )) 2.400 2.400 3.600 peak 326 weight 0.10000E+01 volume 0.52343E-02 ppm1 4.059 ppm2 1.620 CV 1 OR { 326} (( segid " " and resid 185 and name HA )) (( segid " " and resid 185 and name HD2 )) ASSI { 315} (( segid " " and resid 231 and name HA )) (( segid " " and resid 230 and name HA )) 2.500 2.500 3.500 peak 315 weight 0.10000E+01 volume 0.33664E-02 ppm1 4.313 ppm2 4.527 CV 1 OR { 315} (( segid " " and resid 177 and name HA )) (( segid " " and resid 178 and name HA )) ASSI { 322} (( segid " " and resid 205 and name HA )) ( segid " " and resid 209 and name HG2%) 2.900 1.000 1.200 peak 322 weight 0.10000E+01 volume 0.15681E-02 ppm1 4.172 ppm2 1.249 CV 1 OR { 322} (( segid " " and resid 213 and name HA )) ( segid " " and resid 216 and name HG2%) ASSI { 325} (( segid " " and resid 185 and name HA )) (( segid " " and resid 185 and name HB2 )) 1.900 0.500 0.700 peak 325 weight 0.10000E+01 volume 0.18070E-01 ppm1 4.059 ppm2 1.926 CV 1 OR { 325} (( segid " " and resid 200 and name HA )) (( segid " " and resid 200 and name HB1 )) OR { 325} (( segid " " and resid 200 and name HA )) (( segid " " and resid 200 and name HB2 )) ASSI { 365} (( segid " " and resid 146 and name HA )) (( segid " " and resid 205 and name HG2 )) 3.100 3.100 2.900 peak 365 weight 0.10000E+01 volume 0.10707E-02 ppm1 3.587 ppm2 2.124 CV 1 OR { 365} (( segid " " and resid 206 and name HA )) (( segid " " and resid 207 and name HG2 )) OR { 365} (( segid " " and resid 206 and name HA )) (( segid " " and resid 205 and name HG2 )) OR { 365} (( segid " " and resid 206 and name HA )) (( segid " " and resid 208 and name HB1 )) OR { 365} (( segid " " and resid 206 and name HA )) (( segid " " and resid 213 and name HB2 )) OR { 365} (( segid " " and resid 206 and name HA )) (( segid " " and resid 154 and name HG2 )) ASSI { 335} (( segid " " and resid 206 and name HA )) (( segid " " and resid 203 and name HA )) 3.200 3.200 2.800 peak 335 weight 0.10000E+01 volume 0.92740E-03 ppm1 3.584 ppm2 3.340 CV 1 OR { 335} (( segid " " and resid 146 and name HA )) (( segid " " and resid 141 and name HB1 )) ASSI { 334} (( segid " " and resid 206 and name HA )) (( segid " " and resid 158 and name HD2 )) 3.100 1.200 1.400 peak 334 weight 0.10000E+01 volume 0.11207E-02 ppm1 3.586 ppm2 3.104 CV 1 OR { 334} (( segid " " and resid 206 and name HA )) (( segid " " and resid 157 and name HB1 )) ASSI { 350} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB1 )) 1.900 0.400 0.600 peak 350 weight 0.10000E+01 volume 0.19938E-01 ppm1 4.031 ppm2 1.926 CV 1 OR { 350} (( segid " " and resid 185 and name HA )) (( segid " " and resid 185 and name HB2 )) OR { 350} (( segid " " and resid 200 and name HA )) (( segid " " and resid 200 and name HB1 )) OR { 350} (( segid " " and resid 200 and name HA )) (( segid " " and resid 200 and name HB2 )) ASSI { 363} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HG2 )) 2.200 2.200 3.800 peak 363 weight 0.10000E+01 volume 0.77971E-02 ppm1 4.027 ppm2 1.762 CV 1 OR { 363} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HG1 )) ASSI { 364} (( segid " " and resid 212 and name HA )) (( segid " " and resid 216 and name HB )) 2.900 2.900 3.100 peak 364 weight 0.10000E+01 volume 0.15268E-02 ppm1 4.011 ppm2 4.360 CV 1 OR { 364} (( segid " " and resid 220 and name HA )) (( segid " " and resid 216 and name HB )) ASSI { 388} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HB2 )) 2.100 0.600 0.800 peak 388 weight 0.10000E+01 volume 0.10534E-01 ppm1 3.999 ppm2 1.990 CV 1 OR { 388} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HB1 )) ASSI { 397} (( segid " " and resid 187 and name HA )) ( segid " " and resid 191 and name HG2%) 3.200 1.100 1.300 peak 397 weight 0.10000E+01 volume 0.12162E-02 ppm1 4.603 ppm2 0.982 CV 1 OR { 397} (( segid " " and resid 187 and name HA )) ( segid " " and resid 189 and name HG2%) ASSI { 385} (( segid " " and resid 204 and name HA )) (( segid " " and resid 204 and name HB2 )) 1.900 0.500 0.700 peak 385 weight 0.10000E+01 volume 0.17267E-01 ppm1 4.118 ppm2 1.979 CV 1 OR { 385} (( segid " " and resid 204 and name HA )) (( segid " " and resid 207 and name HB2 )) ASSI { 393} (( segid " " and resid 212 and name HA )) (( segid " " and resid 211 and name HA )) 3.100 1.200 1.400 peak 393 weight 0.10000E+01 volume 0.10686E-02 ppm1 3.996 ppm2 3.614 CV 1 OR { 393} (( segid " " and resid 212 and name HA )) (( segid " " and resid 215 and name HA )) OR { 393} (( segid " " and resid 220 and name HA )) (( segid " " and resid 222 and name HB1 )) ASSI { 417} (( segid " " and resid 217 and name HA )) (( segid " " and resid 214 and name HA )) 3.200 3.200 2.800 peak 417 weight 0.10000E+01 volume 0.85139E-03 ppm1 3.668 ppm2 4.402 CV 1 OR { 417} (( segid " " and resid 217 and name HA )) (( segid " " and resid 131 and name HA2 )) ASSI { 434} (( segid " " and resid 135 and name HA )) (( segid " " and resid 134 and name HB2 )) 3.100 1.200 1.400 peak 434 weight 0.10000E+01 volume 0.96867E-03 ppm1 4.362 ppm2 2.022 CV 1 OR { 434} (( segid " " and resid 135 and name HA )) (( segid " " and resid 134 and name HB1 )) OR { 434} (( segid " " and resid 135 and name HA )) ( segid " " and resid 154 and name HE% ) ASSI { 424} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HB1 )) 2.200 0.600 0.800 peak 424 weight 0.10000E+01 volume 0.82749E-02 ppm1 4.246 ppm2 2.132 CV 1 OR { 424} (( segid " " and resid 208 and name HA )) (( segid " " and resid 211 and name HG2 )) ASSI { 485} (( segid " " and resid 202 and name HA )) (( segid " " and resid 205 and name HG2 )) 3.100 3.100 2.900 peak 485 weight 0.10000E+01 volume 0.97736E-03 ppm1 4.607 ppm2 2.165 CV 1 OR { 485} (( segid " " and resid 202 and name HA )) (( segid " " and resid 153 and name HB1 )) ASSI { 477} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HB2 )) 2.100 0.600 0.800 peak 477 weight 0.10000E+01 volume 0.92957E-02 ppm1 4.508 ppm2 2.879 CV 1 OR { 477} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB1 )) ASSI { 506} (( segid " " and resid 162 and name HA )) (( segid " " and resid 130 and name HB1 )) 3.100 3.100 2.900 peak 506 weight 0.10000E+01 volume 0.95129E-03 ppm1 5.553 ppm2 1.613 CV 1 OR { 506} (( segid " " and resid 162 and name HA )) (( segid " " and resid 182 and name HB )) OR { 506} (( segid " " and resid 162 and name HA )) (( segid " " and resid 186 and name HG2 )) ASSI { 542} (( segid " " and resid 181 and name HA )) ( segid " " and resid 180 and name HG2%) 2.700 2.700 3.300 peak 542 weight 0.10000E+01 volume 0.26063E-02 ppm1 4.332 ppm2 0.969 CV 1 OR { 542} (( segid " " and resid 181 and name HA )) ( segid " " and resid 210 and name HG2%) ASSI { 547} (( segid " " and resid 228 and name HA )) ( segid " " and resid 224 and name HB% ) 2.500 2.500 3.500 peak 547 weight 0.10000E+01 volume 0.36488E-02 ppm1 4.251 ppm2 1.376 CV 1 OR { 547} (( segid " " and resid 227 and name HA )) ( segid " " and resid 224 and name HB% ) ASSI { 558} (( segid " " and resid 181 and name HA )) (( segid " " and resid 182 and name HB )) 3.100 3.100 2.900 peak 558 weight 0.10000E+01 volume 0.99473E-03 ppm1 4.342 ppm2 1.635 CV 1 OR { 558} (( segid " " and resid 181 and name HA )) (( segid " " and resid 185 and name HD1 )) OR { 558} (( segid " " and resid 181 and name HA )) (( segid " " and resid 185 and name HD2 )) ASSI { 563} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HD1 )) 3.200 1.200 1.400 peak 563 weight 0.10000E+01 volume 0.92089E-03 ppm1 4.142 ppm2 3.263 CV 1 OR { 563} (( segid " " and resid 156 and name HA )) (( segid " " and resid 155 and name HB1 )) ASSI { 562} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HD2 )) 3.200 1.200 1.400 peak 562 weight 0.10000E+01 volume 0.92740E-03 ppm1 4.145 ppm2 3.098 CV 1 OR { 562} (( segid " " and resid 156 and name HA )) (( segid " " and resid 157 and name HB2 )) ASSI { 595} (( segid " " and resid 136 and name HA )) (( segid " " and resid 212 and name HB2 )) 3.300 3.300 2.700 peak 595 weight 0.10000E+01 volume 0.73845E-03 ppm1 4.407 ppm2 2.162 CV 1 OR { 595} (( segid " " and resid 136 and name HA )) ( segid " " and resid 134 and name HE% ) OR { 595} (( segid " " and resid 136 and name HA )) (( segid " " and resid 213 and name HB1 )) OR { 595} (( segid " " and resid 136 and name HA )) (( segid " " and resid 154 and name HG2 )) OR { 595} (( segid " " and resid 136 and name HA )) (( segid " " and resid 213 and name HB2 )) ASSI { 623} (( segid " " and resid 160 and name HA )) (( segid " " and resid 134 and name HG2 )) 2.900 1.100 1.300 peak 623 weight 0.10000E+01 volume 0.14791E-02 ppm1 4.548 ppm2 2.461 CV 1 OR { 623} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HB2 )) OR { 623} (( segid " " and resid 160 and name HA )) (( segid " " and resid 134 and name HG1 )) ASSI { 615} (( segid " " and resid 140 and name HA )) ( segid " " and resid 138 and name HG2%) 3.400 1.500 1.500 peak 615 weight 0.10000E+01 volume 0.56687E-03 ppm1 4.939 ppm2 0.750 CV 1 OR { 615} (( segid " " and resid 140 and name HA )) (( segid " " and resid 139 and name HG12)) ASSI { 621} (( segid " " and resid 129 and name HA )) ( segid " " and resid 129 and name HE% ) 2.100 0.600 0.800 peak 621 weight 0.10000E+01 volume 0.95346E-02 ppm1 4.548 ppm2 2.009 CV 1 OR { 621} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB1 )) ASSI { 651} (( segid " " and resid 130 and name HA )) ( segid " " and resid 162 and name HD% ) 3.000 1.100 1.300 peak 651 weight 0.10000E+01 volume 0.64723E-03 ppm1 4.539 ppm2 6.902 CV 1 OR { 651} (( segid " " and resid 129 and name HA )) ( segid " " and resid 162 and name HD% ) ASSI { 661} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HD2 )) 2.900 1.100 1.300 peak 661 weight 0.10000E+01 volume 0.13770E-02 ppm1 4.624 ppm2 2.891 CV 1 OR { 661} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HD1 )) OR { 661} (( segid " " and resid 164 and name HA )) (( segid " " and resid 128 and name HB1 )) ASSI { 674} (( segid " " and resid 157 and name HA )) (( segid " " and resid 206 and name HG2 )) 3.200 1.300 1.500 peak 674 weight 0.10000E+01 volume 0.84704E-03 ppm1 5.011 ppm2 1.646 CV 1 OR { 674} (( segid " " and resid 157 and name HA )) (( segid " " and resid 158 and name HB2 )) ASSI { 695} (( segid " " and resid 159 and name HA )) ( segid " " and resid 209 and name HG1%) 3.100 1.200 1.400 peak 695 weight 0.10000E+01 volume 0.96215E-03 ppm1 4.713 ppm2 1.290 CV 1 OR { 695} (( segid " " and resid 159 and name HA )) ( segid " " and resid 133 and name HB% ) ASSI { 752} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name HB2 )) 2.900 1.100 1.300 peak 752 weight 0.10000E+01 volume 0.14899E-02 ppm1 3.941 ppm2 1.764 CV 1 OR { 752} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 136 and name HB1 )) OR { 752} (( segid " " and resid 137 and name HD1 )) (( segid " " and resid 137 and name HB2 )) ASSI { 764} (( segid " " and resid 158 and name HD1 )) (( segid " " and resid 206 and name HG1 )) 3.400 1.400 1.600 peak 764 weight 0.10000E+01 volume 0.62551E-03 ppm1 3.180 ppm2 1.925 CV 1 OR { 764} (( segid " " and resid 158 and name HD1 )) ( segid " " and resid 213 and name HE% ) ASSI { 765} (( segid " " and resid 158 and name HD2 )) (( segid " " and resid 206 and name HG1 )) 3.300 1.300 1.500 peak 765 weight 0.10000E+01 volume 0.74062E-03 ppm1 3.078 ppm2 1.926 CV 1 OR { 765} (( segid " " and resid 158 and name HD2 )) ( segid " " and resid 213 and name HE% ) OR { 765} (( segid " " and resid 158 and name HD2 )) (( segid " " and resid 206 and name HB1 )) ASSI { 773} (( segid " " and resid 158 and name HD2 )) ( segid " " and resid 210 and name HG2%) 2.900 2.900 3.100 peak 773 weight 0.10000E+01 volume 0.13792E-02 ppm1 3.069 ppm2 0.965 CV 1 OR { 773} (( segid " " and resid 158 and name HD2 )) ( segid " " and resid 191 and name HG2%) ASSI { 785} (( segid " " and resid 142 and name HA2 )) (( segid " " and resid 141 and name HA )) 2.800 2.800 3.200 peak 785 weight 0.10000E+01 volume 0.18201E-02 ppm1 3.841 ppm2 4.369 CV 1 OR { 785} (( segid " " and resid 195 and name HA2 )) (( segid " " and resid 194 and name HA )) ASSI { 818} (( segid " " and resid 156 and name HD2 )) (( segid " " and resid 156 and name HB1 )) 2.600 2.600 3.400 peak 818 weight 0.10000E+01 volume 0.28017E-02 ppm1 3.097 ppm2 2.147 CV 1 OR { 818} (( segid " " and resid 156 and name HD2 )) (( segid " " and resid 153 and name HB1 )) ASSI { 807} (( segid " " and resid 220 and name HD2 )) (( segid " " and resid 220 and name HA )) 3.200 1.100 1.300 peak 807 weight 0.10000E+01 volume 0.13162E-02 ppm1 2.956 ppm2 3.995 CV 1 OR { 807} (( segid " " and resid 220 and name HD2 )) (( segid " " and resid 131 and name HA1 )) ASSI { 825} (( segid " " and resid 220 and name HD2 )) ( segid " " and resid 134 and name HE% ) 2.900 2.900 3.100 peak 825 weight 0.10000E+01 volume 0.14313E-02 ppm1 2.948 ppm2 2.146 CV 1 OR { 825} (( segid " " and resid 220 and name HD2 )) (( segid " " and resid 223 and name HB2 )) ASSI { 833} (( segid " " and resid 220 and name HD1 )) (( segid " " and resid 131 and name HA2 )) 3.100 3.100 2.900 peak 833 weight 0.10000E+01 volume 0.93392E-03 ppm1 3.075 ppm2 4.405 CV 1 OR { 833} (( segid " " and resid 220 and name HD1 )) (( segid " " and resid 132 and name HA )) ASSI { 880} (( segid " " and resid 214 and name HB1 )) (( segid " " and resid 211 and name HB2 )) 3.300 1.400 1.600 peak 880 weight 0.10000E+01 volume 0.71456E-03 ppm1 3.541 ppm2 2.145 CV 1 OR { 880} (( segid " " and resid 214 and name HB1 )) (( segid " " and resid 180 and name HB )) OR { 880} (( segid " " and resid 214 and name HB1 )) (( segid " " and resid 213 and name HB2 )) OR { 880} (( segid " " and resid 214 and name HB1 )) (( segid " " and resid 211 and name HG1 )) OR { 880} (( segid " " and resid 214 and name HB1 )) (( segid " " and resid 213 and name HB1 )) ASSI { 874} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 163 and name HD% ) 2.800 2.800 3.200 peak 874 weight 0.10000E+01 volume 0.93392E-03 ppm1 2.564 ppm2 7.002 CV 1 OR { 874} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 187 and name HD2 )) ASSI { 933} (( segid " " and resid 204 and name HE2 )) (( segid " " and resid 204 and name HG1 )) 1.900 0.500 0.700 peak 933 weight 0.10000E+01 volume 0.19004E-01 ppm1 2.920 ppm2 1.624 CV 1 OR { 933} (( segid " " and resid 185 and name HE2 )) (( segid " " and resid 185 and name HD1 )) OR { 933} (( segid " " and resid 185 and name HE1 )) (( segid " " and resid 185 and name HD2 )) OR { 933} (( segid " " and resid 185 and name HE1 )) (( segid " " and resid 185 and name HD1 )) ASSI { 907} (( segid " " and resid 185 and name HE1 )) (( segid " " and resid 185 and name HA )) 2.800 1.000 1.200 peak 907 weight 0.10000E+01 volume 0.17027E-02 ppm1 2.922 ppm2 4.071 CV 1 OR { 907} (( segid " " and resid 185 and name HE1 )) (( segid " " and resid 186 and name HA )) OR { 907} (( segid " " and resid 185 and name HE2 )) (( segid " " and resid 185 and name HA )) OR { 907} (( segid " " and resid 185 and name HE2 )) (( segid " " and resid 186 and name HA )) ASSI { 926} (( segid " " and resid 185 and name HE1 )) (( segid " " and resid 185 and name HG1 )) 3.000 0.600 0.800 peak 926 weight 0.10000E+01 volume 0.67112E-02 ppm1 2.920 ppm2 1.395 CV 1 OR { 926} (( segid " " and resid 185 and name HE2 )) (( segid " " and resid 185 and name HG1 )) OR { 926} (( segid " " and resid 204 and name HE2 )) (( segid " " and resid 204 and name HG2 )) ASSI { 934} (( segid " " and resid 185 and name HE1 )) (( segid " " and resid 185 and name HG2 )) 2.300 0.600 0.800 peak 934 weight 0.10000E+01 volume 0.67763E-02 ppm1 2.922 ppm2 1.487 CV 1 OR { 934} (( segid " " and resid 185 and name HE2 )) (( segid " " and resid 185 and name HG2 )) OR { 934} (( segid " " and resid 204 and name HE1 )) ( segid " " and resid 205 and name HE% ) ASSI { 924} (( segid " " and resid 214 and name HB2 )) ( segid " " and resid 161 and name HG1%) 2.700 2.700 3.300 peak 924 weight 0.10000E+01 volume 0.22153E-02 ppm1 2.917 ppm2 0.911 CV 1 OR { 924} (( segid " " and resid 185 and name HE2 )) (( segid " " and resid 182 and name HG12)) OR { 924} (( segid " " and resid 185 and name HE2 )) (( segid " " and resid 182 and name HG11)) OR { 924} (( segid " " and resid 214 and name HB2 )) ( segid " " and resid 215 and name HG2%) OR { 924} (( segid " " and resid 185 and name HE1 )) (( segid " " and resid 182 and name HG12)) OR { 924} (( segid " " and resid 204 and name HE2 )) ( segid " " and resid 203 and name HG2%) ASSI { 916} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 150 and name HB2 )) 3.000 3.000 3.000 peak 916 weight 0.10000E+01 volume 0.11577E-02 ppm1 2.928 ppm2 3.255 CV 1 OR { 916} (( segid " " and resid 204 and name HE2 )) (( segid " " and resid 150 and name HB2 )) OR { 916} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 145 and name HB1 )) OR { 916} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 208 and name HD1 )) ASSI { 945} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 157 and name HB2 )) 3.200 1.200 1.400 peak 945 weight 0.10000E+01 volume 0.91654E-03 ppm1 2.177 ppm2 3.097 CV 1 OR { 945} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 156 and name HD2 )) OR { 945} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 157 and name HB2 )) OR { 945} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 157 and name HB1 )) ASSI { 957} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 144 and name HB1 )) 2.600 2.600 3.400 peak 957 weight 0.10000E+01 volume 0.28017E-02 ppm1 3.026 ppm2 2.754 CV 1 OR { 957} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 144 and name HB2 )) OR { 957} (( segid " " and resid 171 and name HB2 )) (( segid " " and resid 175 and name HB2 )) ASSI { 1002} (( segid " " and resid 225 and name HB1 )) (( segid " " and resid 221 and name HB2 )) 3.200 3.200 2.800 peak 1002 weight 0.10000E+01 volume 0.85790E-03 ppm1 2.997 ppm2 1.717 CV 1 OR { 1002} (( segid " " and resid 225 and name HB1 )) (( segid " " and resid 228 and name HG1 )) ASSI { 987} (( segid " " and resid 181 and name HB1 )) (( segid " " and resid 182 and name HG12)) 3.100 3.100 2.900 peak 987 weight 0.10000E+01 volume 0.10317E-02 ppm1 2.885 ppm2 0.913 CV 1 OR { 987} (( segid " " and resid 181 and name HB1 )) ( segid " " and resid 184 and name HG2%) ASSI { 988} (( segid " " and resid 181 and name HB2 )) (( segid " " and resid 182 and name HG12)) 3.000 3.000 3.000 peak 988 weight 0.10000E+01 volume 0.12119E-02 ppm1 2.803 ppm2 0.904 CV 1 OR { 988} (( segid " " and resid 181 and name HB2 )) ( segid " " and resid 184 and name HG2%) ASSI { 993} (( segid " " and resid 225 and name HB2 )) (( segid " " and resid 228 and name HB1 )) 3.400 3.400 2.600 peak 993 weight 0.10000E+01 volume 0.56469E-03 ppm1 2.845 ppm2 1.864 CV 1 OR { 993} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 146 and name HG2 )) ASSI { 1081} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HA )) 2.500 0.800 1.000 peak 1081 weight 0.10000E+01 volume 0.41700E-02 ppm1 2.857 ppm2 4.214 CV 1 OR { 1081} (( segid " " and resid 225 and name HB2 )) (( segid " " and resid 225 and name HA )) ASSI { 1036} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 148 and name HB2 )) 3.300 1.400 1.600 peak 1036 weight 0.10000E+01 volume 0.70152E-03 ppm1 2.861 ppm2 1.906 CV 1 OR { 1036} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 146 and name HG2 )) OR { 1036} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 148 and name HB1 )) OR { 1036} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 148 and name HB2 )) OR { 1036} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 152 and name HB2 )) OR { 1036} (( segid " " and resid 181 and name HB1 )) (( segid " " and resid 185 and name HB2 )) ASSI { 1020} (( segid " " and resid 146 and name HG1 )) (( segid " " and resid 149 and name HB1 )) 3.300 1.200 1.400 peak 1020 weight 0.10000E+01 volume 0.10165E-02 ppm1 2.266 ppm2 2.846 CV 1 OR { 1020} (( segid " " and resid 146 and name HG1 )) (( segid " " and resid 145 and name HB2 )) ASSI { 1095} (( segid " " and resid 175 and name HB1 )) (( segid " " and resid 215 and name HA )) 3.100 3.100 2.900 peak 1095 weight 0.10000E+01 volume 0.10121E-02 ppm1 3.118 ppm2 3.589 CV 1 OR { 1095} (( segid " " and resid 175 and name HB1 )) (( segid " " and resid 214 and name HB1 )) ASSI { 1114} (( segid " " and resid 182 and name HB )) (( segid " " and resid 185 and name HB1 )) 3.100 3.100 2.900 peak 1114 weight 0.10000E+01 volume 0.10208E-02 ppm1 1.620 ppm2 1.928 CV 1 OR { 1114} (( segid " " and resid 182 and name HB )) (( segid " " and resid 186 and name HB2 )) OR { 1114} (( segid " " and resid 182 and name HB )) (( segid " " and resid 185 and name HB2 )) ASSI { 1115} (( segid " " and resid 182 and name HB )) (( segid " " and resid 128 and name HB1 )) 3.400 1.500 1.500 peak 1115 weight 0.10000E+01 volume 0.56252E-03 ppm1 1.600 ppm2 2.865 CV 1 OR { 1115} (( segid " " and resid 182 and name HB )) (( segid " " and resid 128 and name HB2 )) OR { 1115} (( segid " " and resid 182 and name HB )) (( segid " " and resid 181 and name HB1 )) ASSI { 1107} (( segid " " and resid 184 and name HB )) ( segid " " and resid 210 and name HG1%) 3.100 1.200 1.400 peak 1107 weight 0.10000E+01 volume 0.10838E-02 ppm1 2.077 ppm2 1.241 CV 1 OR { 1107} (( segid " " and resid 184 and name HB )) ( segid " " and resid 188 and name HG2%) ASSI { 1129} (( segid " " and resid 221 and name HG1 )) ( segid " " and resid 166 and name HE% ) 3.000 3.000 3.000 peak 1129 weight 0.10000E+01 volume 0.12098E-02 ppm1 2.427 ppm2 1.575 CV 1 OR { 1129} (( segid " " and resid 152 and name HG2 )) (( segid " " and resid 148 and name HG2 )) ASSI { 1134} (( segid " " and resid 152 and name HG1 )) (( segid " " and resid 152 and name HG2 )) 1.900 0.400 0.600 peak 1134 weight 0.10000E+01 volume 0.20851E-01 ppm1 2.215 ppm2 2.433 CV 1 OR { 1134} (( segid " " and resid 221 and name HG2 )) (( segid " " and resid 221 and name HG1 )) ASSI { 1147} (( segid " " and resid 221 and name HG2 )) (( segid " " and resid 221 and name HA )) 2.300 0.700 0.900 peak 1147 weight 0.10000E+01 volume 0.62116E-02 ppm1 2.224 ppm2 4.078 CV 1 OR { 1147} (( segid " " and resid 152 and name HG1 )) (( segid " " and resid 152 and name HA )) ASSI { 1154} (( segid " " and resid 207 and name HG2 )) ( segid " " and resid 210 and name HG1%) 3.100 3.100 2.900 peak 1154 weight 0.10000E+01 volume 0.10469E-02 ppm1 2.134 ppm2 1.227 CV 1 OR { 1154} (( segid " " and resid 211 and name HG2 )) ( segid " " and resid 210 and name HG1%) OR { 1154} (( segid " " and resid 211 and name HG1 )) ( segid " " and resid 210 and name HG1%) ASSI { 1161} (( segid " " and resid 138 and name HB )) (( segid " " and resid 137 and name HB2 )) 3.000 3.000 3.000 peak 1161 weight 0.10000E+01 volume 0.13445E-02 ppm1 1.934 ppm2 1.772 CV 1 OR { 1161} (( segid " " and resid 138 and name HB )) (( segid " " and resid 151 and name HG2 )) ASSI { 1148} (( segid " " and resid 196 and name HG2 )) (( segid " " and resid 191 and name HB )) 2.600 2.600 3.400 peak 1148 weight 0.10000E+01 volume 0.31059E-02 ppm1 1.948 ppm2 4.149 CV 1 OR { 1148} (( segid " " and resid 196 and name HG2 )) (( segid " " and resid 191 and name HA )) ASSI { 1180} (( segid " " and resid 211 and name HG2 )) (( segid " " and resid 208 and name HG2 )) 2.400 2.400 3.600 peak 1180 weight 0.10000E+01 volume 0.45828E-02 ppm1 2.126 ppm2 1.735 CV 1 OR { 1180} (( segid " " and resid 211 and name HG2 )) (( segid " " and resid 137 and name HB2 )) OR { 1180} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 137 and name HB2 )) ASSI { 1190} (( segid " " and resid 157 and name HB1 )) ( segid " " and resid 213 and name HE% ) 3.300 1.400 1.600 peak 1190 weight 0.10000E+01 volume 0.66677E-03 ppm1 3.127 ppm2 1.921 CV 1 OR { 1190} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 206 and name HG1 )) OR { 1190} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 205 and name HB2 )) OR { 1190} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 205 and name HB2 )) OR { 1190} (( segid " " and resid 157 and name HB2 )) ( segid " " and resid 213 and name HE% ) OR { 1190} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 206 and name HG1 )) ASSI { 1192} (( segid " " and resid 157 and name HB1 )) ( segid " " and resid 209 and name HG1%) 3.000 1.200 1.400 peak 1192 weight 0.10000E+01 volume 0.11359E-02 ppm1 3.121 ppm2 1.307 CV 1 OR { 1192} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 154 and name HB2 )) OR { 1192} (( segid " " and resid 157 and name HB1 )) ( segid " " and resid 209 and name HG2%) ASSI { 1194} (( segid " " and resid 213 and name HB1 )) (( segid " " and resid 213 and name HA )) 2.400 0.700 0.900 peak 1194 weight 0.10000E+01 volume 0.42352E-02 ppm1 2.154 ppm2 4.168 CV 1 OR { 1194} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 205 and name HA )) ASSI { 1247} (( segid " " and resid 160 and name HG1 )) ( segid " " and resid 133 and name HB% ) 2.700 0.900 1.100 peak 1247 weight 0.10000E+01 volume 0.24542E-02 ppm1 2.178 ppm2 1.302 CV 1 OR { 1247} (( segid " " and resid 213 and name HB2 )) ( segid " " and resid 209 and name HG1%) ASSI { 1208} (( segid " " and resid 205 and name HG1 )) (( segid " " and resid 205 and name HB2 )) 2.500 0.800 1.000 peak 1208 weight 0.10000E+01 volume 0.41700E-02 ppm1 2.954 ppm2 1.975 CV 1 OR { 1208} (( segid " " and resid 205 and name HG1 )) (( segid " " and resid 204 and name HB1 )) ASSI { 1236} (( segid " " and resid 160 and name HG1 )) (( segid " " and resid 133 and name HA )) 2.400 0.700 0.900 peak 1236 weight 0.10000E+01 volume 0.49519E-02 ppm1 2.179 ppm2 4.448 CV 1 OR { 1236} (( segid " " and resid 160 and name HG1 )) (( segid " " and resid 132 and name HA )) OR { 1236} (( segid " " and resid 213 and name HB2 )) (( segid " " and resid 214 and name HA )) ASSI { 1231} (( segid " " and resid 223 and name HG2 )) (( segid " " and resid 223 and name HA )) 2.300 0.700 0.900 peak 1231 weight 0.10000E+01 volume 0.61682E-02 ppm1 2.401 ppm2 4.147 CV 1 OR { 1231} (( segid " " and resid 227 and name HG1 )) (( segid " " and resid 224 and name HA )) ASSI { 1232} (( segid " " and resid 227 and name HG1 )) (( segid " " and resid 227 and name HA )) 2.200 2.200 3.800 peak 1232 weight 0.10000E+01 volume 0.79057E-02 ppm1 2.390 ppm2 4.246 CV 1 OR { 1232} (( segid " " and resid 227 and name HG2 )) (( segid " " and resid 227 and name HA )) OR { 1232} (( segid " " and resid 227 and name HG2 )) (( segid " " and resid 228 and name HA )) ASSI { 1238} (( segid " " and resid 160 and name HG2 )) (( segid " " and resid 132 and name HA )) 2.400 0.700 0.900 peak 1238 weight 0.10000E+01 volume 0.43438E-02 ppm1 2.030 ppm2 4.449 CV 1 OR { 1238} (( segid " " and resid 160 and name HG2 )) (( segid " " and resid 133 and name HA )) ASSI { 1220} (( segid " " and resid 161 and name HB )) (( segid " " and resid 213 and name HB1 )) 2.900 1.100 1.300 peak 1220 weight 0.10000E+01 volume 0.14313E-02 ppm1 2.635 ppm2 2.151 CV 1 OR { 1220} (( segid " " and resid 161 and name HB )) (( segid " " and resid 213 and name HB2 )) OR { 1220} (( segid " " and resid 161 and name HB )) ( segid " " and resid 134 and name HE% ) ASSI { 1225} (( segid " " and resid 212 and name HG2 )) ( segid " " and resid 215 and name HD1%) 2.800 1.000 1.200 peak 1225 weight 0.10000E+01 volume 0.17636E-02 ppm1 2.457 ppm2 0.872 CV 1 OR { 1225} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 139 and name HG11)) OR { 1225} (( segid " " and resid 212 and name HG1 )) ( segid " " and resid 215 and name HD1%) ASSI { 1245} (( segid " " and resid 186 and name HG1 )) ( segid " " and resid 130 and name HD1%) 3.200 1.300 1.500 peak 1245 weight 0.10000E+01 volume 0.85356E-03 ppm1 2.041 ppm2 0.625 CV 1 OR { 1245} (( segid " " and resid 160 and name HG2 )) ( segid " " and resid 130 and name HD1%) ASSI { 1266} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 186 and name HA )) 2.800 1.000 1.200 peak 1266 weight 0.10000E+01 volume 0.19981E-02 ppm1 1.657 ppm2 4.057 CV 1 OR { 1266} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 183 and name HA )) ASSI { 1271} (( segid " " and resid 206 and name HB2 )) (( segid " " and resid 206 and name HB1 )) 2.000 2.000 4.000 peak 1271 weight 0.10000E+01 volume 0.13922E-01 ppm1 1.644 ppm2 1.946 CV 1 OR { 1271} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 206 and name HG1 )) OR { 1271} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 186 and name HB2 )) ASSI { 1317} (( segid " " and resid 186 and name HG1 )) (( segid " " and resid 130 and name HG )) 2.600 2.600 3.400 peak 1317 weight 0.10000E+01 volume 0.29103E-02 ppm1 2.077 ppm2 1.399 CV 1 OR { 1317} (( segid " " and resid 186 and name HG1 )) (( segid " " and resid 185 and name HG1 )) ASSI { 2702} (( segid " " and resid 206 and name HB1 )) (( segid " " and resid 183 and name HB )) 2.200 2.200 3.800 peak 2702 weight 0.10000E+01 volume 0.70152E-02 ppm1 1.969 ppm2 4.467 CV 1 OR { 2702} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 188 and name HB )) OR { 2702} (( segid " " and resid 206 and name HB1 )) (( segid " " and resid 188 and name HB )) OR { 2702} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 183 and name HB )) ASSI { 1306} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 158 and name HD2 )) 3.100 1.200 1.400 peak 1306 weight 0.10000E+01 volume 0.10143E-02 ppm1 1.935 ppm2 3.105 CV 1 OR { 1306} (( segid " " and resid 206 and name HB1 )) (( segid " " and resid 158 and name HD2 )) OR { 1306} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 157 and name HB1 )) ASSI { 1293} (( segid " " and resid 205 and name HB2 )) ( segid " " and resid 150 and name HE% ) 3.000 1.100 1.300 peak 1293 weight 0.10000E+01 volume 0.59511E-03 ppm1 1.967 ppm2 6.987 CV 1 OR { 1293} (( segid " " and resid 205 and name HB2 )) ( segid " " and resid 149 and name HD% ) ASSI { 1292} (( segid " " and resid 206 and name HG1 )) ( segid " " and resid 157 and name HD% ) 2.900 1.000 1.200 peak 1292 weight 0.10000E+01 volume 0.74931E-03 ppm1 1.966 ppm2 6.905 CV 1 OR { 1292} (( segid " " and resid 205 and name HB2 )) ( segid " " and resid 141 and name HE% ) OR { 1292} (( segid " " and resid 205 and name HB2 )) ( segid " " and resid 157 and name HD% ) ASSI { 1308} (( segid " " and resid 206 and name HB1 )) (( segid " " and resid 207 and name HG1 )) 2.200 2.200 3.800 peak 1308 weight 0.10000E+01 volume 0.82315E-02 ppm1 1.960 ppm2 2.500 CV 1 OR { 1308} (( segid " " and resid 204 and name HB2 )) (( segid " " and resid 207 and name HG1 )) OR { 1308} (( segid " " and resid 204 and name HB1 )) (( segid " " and resid 207 and name HG1 )) ASSI { 1384} (( segid " " and resid 206 and name HB1 )) (( segid " " and resid 206 and name HB2 )) 2.000 2.000 4.000 peak 1384 weight 0.10000E+01 volume 0.15833E-01 ppm1 1.949 ppm2 1.638 CV 1 OR { 1384} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 206 and name HG2 )) OR { 1384} (( segid " " and resid 204 and name HB2 )) (( segid " " and resid 204 and name HG1 )) ASSI { 1357} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 204 and name HE1 )) 3.000 3.000 3.000 peak 1357 weight 0.10000E+01 volume 0.12706E-02 ppm1 2.344 ppm2 2.896 CV 1 OR { 1357} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 204 and name HE2 )) OR { 1357} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 149 and name HB1 )) ASSI { 1377} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 136 and name HB1 )) 1.800 1.800 4.200 peak 1377 weight 0.10000E+01 volume 0.29973E-01 ppm1 1.637 ppm2 1.770 CV 1 OR { 1377} (( segid " " and resid 206 and name HB2 )) (( segid " " and resid 208 and name HG2 )) OR { 1377} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 136 and name HB1 )) OR { 1377} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 208 and name HG2 )) OR { 1377} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 137 and name HB2 )) ASSI { 1361} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 210 and name HA )) 2.600 2.600 3.400 peak 1361 weight 0.10000E+01 volume 0.27149E-02 ppm1 1.776 ppm2 3.639 CV 1 OR { 1361} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 211 and name HA )) ASSI { 1366} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 183 and name HB )) 2.700 2.700 3.300 peak 1366 weight 0.10000E+01 volume 0.22153E-02 ppm1 1.645 ppm2 4.458 CV 1 OR { 1366} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 136 and name HA )) OR { 1366} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 133 and name HA )) OR { 1366} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 183 and name HB )) OR { 1366} (( segid " " and resid 206 and name HB2 )) (( segid " " and resid 183 and name HB )) OR { 1366} (( segid " " and resid 206 and name HB2 )) (( segid " " and resid 188 and name HB )) ASSI { 1379} (( segid " " and resid 158 and name HB2 )) ( segid " " and resid 210 and name HG2%) 2.600 0.800 1.000 peak 1379 weight 0.10000E+01 volume 0.29538E-02 ppm1 1.653 ppm2 0.955 CV 1 OR { 1379} (( segid " " and resid 206 and name HG2 )) ( segid " " and resid 210 and name HG2%) OR { 1379} (( segid " " and resid 206 and name HB2 )) ( segid " " and resid 203 and name HG1%) ASSI { 1360} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 158 and name HD2 )) 2.800 1.000 1.200 peak 1360 weight 0.10000E+01 volume 0.18113E-02 ppm1 1.659 ppm2 3.086 CV 1 OR { 1360} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 158 and name HD2 )) ASSI { 1332} (( segid " " and resid 213 and name HG1 )) ( segid " " and resid 161 and name HG1%) 3.300 1.400 1.600 peak 1332 weight 0.10000E+01 volume 0.71890E-03 ppm1 2.844 ppm2 0.947 CV 1 OR { 1332} (( segid " " and resid 213 and name HG1 )) ( segid " " and resid 210 and name HG2%) ASSI { 1386} (( segid " " and resid 129 and name HG1 )) ( segid " " and resid 129 and name HE% ) 2.100 0.600 0.800 peak 1386 weight 0.10000E+01 volume 0.98822E-02 ppm1 2.236 ppm2 1.980 CV 1 OR { 1386} (( segid " " and resid 176 and name HB )) (( segid " " and resid 215 and name HG11)) OR { 1386} (( segid " " and resid 129 and name HG2 )) ( segid " " and resid 129 and name HE% ) ASSI { 1326} (( segid " " and resid 205 and name HB1 )) ( segid " " and resid 157 and name HE% ) 2.700 2.700 3.300 peak 1326 weight 0.10000E+01 volume 0.12423E-02 ppm1 2.341 ppm2 6.587 CV 1 OR { 1326} (( segid " " and resid 209 and name HB )) ( segid " " and resid 157 and name HE% ) ASSI { 1407} (( segid " " and resid 137 and name HB1 )) ( segid " " and resid 139 and name HD1%) 3.200 1.300 1.500 peak 1407 weight 0.10000E+01 volume 0.85139E-03 ppm1 2.310 ppm2 0.488 CV 1 OR { 1407} (( segid " " and resid 209 and name HB )) ( segid " " and resid 139 and name HD1%) ASSI { 1338} (( segid " " and resid 213 and name HG1 )) (( segid " " and resid 136 and name HA )) 3.300 1.400 1.600 peak 1338 weight 0.10000E+01 volume 0.67546E-03 ppm1 2.837 ppm2 4.419 CV 1 OR { 1338} (( segid " " and resid 213 and name HG1 )) (( segid " " and resid 137 and name HA )) ASSI { 1323} (( segid " " and resid 205 and name HB1 )) ( segid " " and resid 150 and name HE% ) 2.700 0.900 1.100 peak 1323 weight 0.10000E+01 volume 0.12359E-02 ppm1 2.342 ppm2 7.034 CV 1 OR { 1323} (( segid " " and resid 209 and name HB )) ( segid " " and resid 150 and name HE% ) ASSI { 1393} (( segid " " and resid 209 and name HB )) (( segid " " and resid 137 and name HB2 )) 2.200 2.200 3.800 peak 1393 weight 0.10000E+01 volume 0.89917E-02 ppm1 2.341 ppm2 1.776 CV 1 OR { 1393} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 208 and name HG2 )) OR { 1393} (( segid " " and resid 209 and name HB )) (( segid " " and resid 136 and name HB1 )) ASSI { 1396} (( segid " " and resid 209 and name HB )) (( segid " " and resid 206 and name HG2 )) 2.300 2.300 3.700 peak 1396 weight 0.10000E+01 volume 0.54080E-02 ppm1 2.344 ppm2 1.621 CV 1 OR { 1396} (( segid " " and resid 209 and name HB )) (( segid " " and resid 206 and name HB2 )) OR { 1396} (( segid " " and resid 209 and name HB )) (( segid " " and resid 158 and name HB2 )) OR { 1396} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 206 and name HG2 )) ASSI { 1403} (( segid " " and resid 205 and name HB2 )) ( segid " " and resid 139 and name HD1%) 3.200 3.200 2.800 peak 1403 weight 0.10000E+01 volume 0.92523E-03 ppm1 1.963 ppm2 0.452 CV 1 OR { 1403} (( segid " " and resid 206 and name HB1 )) ( segid " " and resid 139 and name HD1%) OR { 1403} (( segid " " and resid 204 and name HB1 )) ( segid " " and resid 139 and name HD1%) ASSI { 1387} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 138 and name HB )) 1.600 1.600 4.400 peak 1387 weight 0.10000E+01 volume 0.52560E-01 ppm1 2.306 ppm2 1.908 CV 1 OR { 1387} (( segid " " and resid 137 and name HB1 )) ( segid " " and resid 213 and name HE% ) OR { 1387} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 146 and name HG2 )) ASSI { 1344} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 158 and name HD1 )) 3.100 1.200 1.400 peak 1344 weight 0.10000E+01 volume 0.99039E-03 ppm1 2.439 ppm2 3.193 CV 1 OR { 1344} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 187 and name HB2 )) ASSI { 1402} (( segid " " and resid 209 and name HB )) ( segid " " and resid 184 and name HD1%) 3.100 3.100 2.900 peak 1402 weight 0.10000E+01 volume 0.95346E-03 ppm1 2.352 ppm2 0.784 CV 1 OR { 1402} (( segid " " and resid 209 and name HB )) (( segid " " and resid 139 and name HG12)) ASSI { 1355} (( segid " " and resid 176 and name HB )) (( segid " " and resid 180 and name HA )) 2.700 2.700 3.300 peak 1355 weight 0.10000E+01 volume 0.22588E-02 ppm1 2.228 ppm2 3.655 CV 1 OR { 1355} (( segid " " and resid 176 and name HB )) (( segid " " and resid 210 and name HA )) OR { 1355} (( segid " " and resid 189 and name HB )) (( segid " " and resid 184 and name HA )) ASSI { 1400} (( segid " " and resid 209 and name HB )) ( segid " " and resid 210 and name HG2%) 2.700 0.900 1.100 peak 1400 weight 0.10000E+01 volume 0.23891E-02 ppm1 2.351 ppm2 0.940 CV 1 OR { 1400} (( segid " " and resid 209 and name HB )) (( segid " " and resid 139 and name HG11)) ASSI { 1401} (( segid " " and resid 158 and name HB1 )) ( segid " " and resid 210 and name HG2%) 2.800 1.000 1.200 peak 1401 weight 0.10000E+01 volume 0.19221E-02 ppm1 2.440 ppm2 0.958 CV 1 OR { 1401} (( segid " " and resid 158 and name HB1 )) ( segid " " and resid 191 and name HG2%) ASSI { 1376} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 162 and name HB1 )) 2.900 2.900 3.100 peak 1376 weight 0.10000E+01 volume 0.16897E-02 ppm1 2.226 ppm2 2.583 CV 1 OR { 1376} (( segid " " and resid 176 and name HB )) (( segid " " and resid 161 and name HB )) OR { 1376} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 162 and name HB1 )) OR { 1376} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 162 and name HB2 )) OR { 1376} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 162 and name HB2 )) ASSI { 1359} (( segid " " and resid 204 and name HB1 )) (( segid " " and resid 205 and name HG1 )) 2.600 0.900 1.100 peak 1359 weight 0.10000E+01 volume 0.27583E-02 ppm1 1.971 ppm2 2.936 CV 1 OR { 1359} (( segid " " and resid 204 and name HB1 )) (( segid " " and resid 204 and name HE2 )) OR { 1359} (( segid " " and resid 204 and name HB1 )) (( segid " " and resid 204 and name HE1 )) ASSI { 1424} (( segid " " and resid 176 and name HB )) ( segid " " and resid 176 and name HG2%) 1.900 0.500 0.700 peak 1424 weight 0.10000E+01 volume 0.18353E-01 ppm1 2.247 ppm2 1.060 CV 1 OR { 1424} (( segid " " and resid 189 and name HB )) ( segid " " and resid 189 and name HG1%) OR { 1424} (( segid " " and resid 176 and name HB )) ( segid " " and resid 176 and name HG1%) ASSI { 1454} (( segid " " and resid 134 and name HG1 )) ( segid " " and resid 216 and name HG2%) 3.100 1.200 1.400 peak 1454 weight 0.10000E+01 volume 0.93826E-03 ppm1 2.497 ppm2 1.263 CV 1 OR { 1454} (( segid " " and resid 134 and name HG1 )) ( segid " " and resid 133 and name HB% ) ASSI { 1437} (( segid " " and resid 187 and name HB2 )) (( segid " " and resid 158 and name HG2 )) 3.100 1.200 1.400 peak 1437 weight 0.10000E+01 volume 0.99473E-03 ppm1 3.199 ppm2 1.258 CV 1 OR { 1437} (( segid " " and resid 187 and name HB2 )) ( segid " " and resid 188 and name HG2%) ASSI { 1468} (( segid " " and resid 210 and name HB )) (( segid " " and resid 207 and name HA )) 2.600 0.800 1.000 peak 1468 weight 0.10000E+01 volume 0.31492E-02 ppm1 2.290 ppm2 3.678 CV 1 OR { 1468} (( segid " " and resid 210 and name HB )) (( segid " " and resid 210 and name HA )) ASSI { 1464} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 191 and name HA )) 2.500 2.500 3.500 peak 1464 weight 0.10000E+01 volume 0.33230E-02 ppm1 1.584 ppm2 4.146 CV 1 OR { 1464} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 191 and name HB )) OR { 1464} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 195 and name HA1 )) ASSI { 1467} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 191 and name HB )) 2.500 2.500 3.500 peak 1467 weight 0.10000E+01 volume 0.35185E-02 ppm1 1.628 ppm2 4.139 CV 1 OR { 1467} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 191 and name HA )) OR { 1467} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 195 and name HA1 )) ASSI { 1557} (( segid " " and resid 220 and name HB1 )) (( segid " " and resid 217 and name HA )) 2.700 0.900 1.100 peak 1557 weight 0.10000E+01 volume 0.24542E-02 ppm1 1.977 ppm2 3.636 CV 1 OR { 1557} (( segid " " and resid 215 and name HG11)) (( segid " " and resid 211 and name HA )) ASSI { 1558} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 154 and name HA )) 2.800 1.000 1.200 peak 1558 weight 0.10000E+01 volume 0.17940E-02 ppm1 1.664 ppm2 3.476 CV 1 OR { 1558} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 165 and name HD2 )) ASSI { 1529} (( segid " " and resid 184 and name HG12)) ( segid " " and resid 188 and name HG2%) 2.600 2.600 3.400 peak 1529 weight 0.10000E+01 volume 0.28235E-02 ppm1 1.865 ppm2 1.260 CV 1 OR { 1529} (( segid " " and resid 220 and name HB2 )) ( segid " " and resid 216 and name HG2%) OR { 1529} (( segid " " and resid 184 and name HG12)) ( segid " " and resid 210 and name HG1%) ASSI { 1532} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 154 and name HB2 )) 3.200 3.200 2.800 peak 1532 weight 0.10000E+01 volume 0.90785E-03 ppm1 1.901 ppm2 1.380 CV 1 OR { 1532} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 154 and name HB2 )) OR { 1532} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 156 and name HG1 )) OR { 1532} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 156 and name HB2 )) OR { 1532} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 156 and name HG1 )) ASSI { 1564} (( segid " " and resid 208 and name HB1 )) (( segid " " and resid 208 and name HD1 )) 2.700 0.900 1.100 peak 1564 weight 0.10000E+01 volume 0.21111E-02 ppm1 2.117 ppm2 3.280 CV 1 OR { 1564} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 156 and name HD1 )) ASSI { 1551} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 149 and name HA )) 2.600 0.900 1.100 peak 1551 weight 0.10000E+01 volume 0.26498E-02 ppm1 1.900 ppm2 3.850 CV 1 OR { 1551} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 149 and name HA )) ASSI { 1550} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 148 and name HA )) 2.100 0.500 0.700 peak 1550 weight 0.10000E+01 volume 0.11185E-01 ppm1 1.910 ppm2 4.057 CV 1 OR { 1550} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 152 and name HA )) OR { 1550} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HA )) ASSI { 1534} (( segid " " and resid 184 and name HG12)) (( segid " " and resid 184 and name HB )) 2.300 0.700 0.900 peak 1534 weight 0.10000E+01 volume 0.60379E-02 ppm1 1.886 ppm2 2.079 CV 1 OR { 1534} (( segid " " and resid 184 and name HG12)) (( segid " " and resid 203 and name HB )) ASSI { 1548} (( segid " " and resid 184 and name HG12)) (( segid " " and resid 183 and name HB )) 3.400 3.400 2.600 peak 1548 weight 0.10000E+01 volume 0.61248E-03 ppm1 1.860 ppm2 4.464 CV 1 OR { 1548} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 131 and name HA2 )) ASSI { 1592} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 159 and name HB1 )) 3.000 1.100 1.300 peak 1592 weight 0.10000E+01 volume 0.12185E-02 ppm1 1.745 ppm2 3.635 CV 1 OR { 1592} (( segid " " and resid 221 and name HB2 )) (( segid " " and resid 222 and name HB1 )) ASSI { 1632} (( segid " " and resid 221 and name HB2 )) (( segid " " and resid 221 and name HA )) 2.500 0.800 1.000 peak 1632 weight 0.10000E+01 volume 0.40181E-02 ppm1 1.732 ppm2 4.065 CV 1 OR { 1632} (( segid " " and resid 200 and name HD2 )) (( segid " " and resid 200 and name HA )) ASSI { 1630} (( segid " " and resid 204 and name HD2 )) (( segid " " and resid 205 and name HA )) 2.600 0.900 1.100 peak 1630 weight 0.10000E+01 volume 0.28017E-02 ppm1 1.701 ppm2 4.147 CV 1 OR { 1630} (( segid " " and resid 204 and name HD1 )) (( segid " " and resid 205 and name HA )) OR { 1630} (( segid " " and resid 204 and name HD2 )) (( segid " " and resid 204 and name HA )) ASSI { 1619} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 184 and name HG12)) 2.500 2.500 3.500 peak 1619 weight 0.10000E+01 volume 0.34099E-02 ppm1 2.225 ppm2 1.887 CV 1 OR { 1619} (( segid " " and resid 211 and name HB1 )) ( segid " " and resid 213 and name HE% ) OR { 1619} (( segid " " and resid 211 and name HB1 )) (( segid " " and resid 184 and name HG12)) ASSI { 1616} (( segid " " and resid 207 and name HB2 )) ( segid " " and resid 210 and name HG2%) 3.000 3.000 3.000 peak 1616 weight 0.10000E+01 volume 0.13422E-02 ppm1 2.013 ppm2 0.958 CV 1 OR { 1616} (( segid " " and resid 207 and name HB2 )) ( segid " " and resid 180 and name HG2%) OR { 1616} (( segid " " and resid 207 and name HB2 )) ( segid " " and resid 203 and name HG1%) ASSI { 1670} (( segid " " and resid 207 and name HB2 )) ( segid " " and resid 184 and name HD1%) 3.000 1.200 1.400 peak 1670 weight 0.10000E+01 volume 0.11489E-02 ppm1 2.025 ppm2 0.771 CV 1 OR { 1670} (( segid " " and resid 151 and name HG1 )) ( segid " " and resid 138 and name HG2%) ASSI { 1668} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 204 and name HA )) 2.600 2.600 3.400 peak 1668 weight 0.10000E+01 volume 0.30406E-02 ppm1 2.226 ppm2 4.127 CV 1 OR { 1668} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 213 and name HA )) ASSI { 1673} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 189 and name HG2%) 3.400 3.400 2.600 peak 1673 weight 0.10000E+01 volume 0.62333E-03 ppm1 1.957 ppm2 0.935 CV 1 OR { 1673} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 210 and name HG2%) ASSI { 1667} (( segid " " and resid 219 and name HB1 )) (( segid " " and resid 220 and name HA )) 2.600 2.600 3.400 peak 1667 weight 0.10000E+01 volume 0.27583E-02 ppm1 2.371 ppm2 3.976 CV 1 OR { 1667} (( segid " " and resid 219 and name HB1 )) (( segid " " and resid 216 and name HA )) ASSI { 1660} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 174 and name HA )) 2.600 2.600 3.400 peak 1660 weight 0.10000E+01 volume 0.29538E-02 ppm1 3.403 ppm2 4.567 CV 1 OR { 1660} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 178 and name HA )) ASSI { 1713} (( segid " " and resid 186 and name HB2 )) ( segid " " and resid 210 and name HG2%) 3.100 3.100 2.900 peak 1713 weight 0.10000E+01 volume 0.11033E-02 ppm1 1.897 ppm2 0.931 CV 1 OR { 1713} (( segid " " and resid 186 and name HB2 )) ( segid " " and resid 161 and name HG1%) ASSI { 1728} (( segid " " and resid 212 and name HB2 )) (( segid " " and resid 212 and name HA )) 2.400 0.700 0.900 peak 1728 weight 0.10000E+01 volume 0.52560E-02 ppm1 2.150 ppm2 4.005 CV 1 OR { 1728} (( segid " " and resid 223 and name HB2 )) (( segid " " and resid 220 and name HA )) ASSI { 1718} (( segid " " and resid 212 and name HB2 )) ( segid " " and resid 215 and name HD1%) 3.200 1.200 1.400 peak 1718 weight 0.10000E+01 volume 0.92740E-03 ppm1 2.166 ppm2 0.872 CV 1 OR { 1718} (( segid " " and resid 212 and name HB2 )) (( segid " " and resid 139 and name HG11)) OR { 1718} (( segid " " and resid 212 and name HB2 )) ( segid " " and resid 215 and name HG2%) ASSI { 1733} (( segid " " and resid 186 and name HB2 )) (( segid " " and resid 183 and name HA )) 2.400 0.700 0.900 peak 1733 weight 0.10000E+01 volume 0.44307E-02 ppm1 1.905 ppm2 4.051 CV 1 OR { 1733} (( segid " " and resid 186 and name HB2 )) (( segid " " and resid 186 and name HA )) ASSI { 1755} (( segid " " and resid 182 and name HG11)) (( segid " " and resid 128 and name HB2 )) 3.300 1.300 1.500 peak 1755 weight 0.10000E+01 volume 0.76234E-03 ppm1 0.897 ppm2 2.864 CV 1 OR { 1755} (( segid " " and resid 182 and name HG11)) (( segid " " and resid 128 and name HB1 )) OR { 1755} (( segid " " and resid 182 and name HG12)) (( segid " " and resid 181 and name HB1 )) OR { 1755} (( segid " " and resid 182 and name HG12)) (( segid " " and resid 128 and name HB2 )) OR { 1755} (( segid " " and resid 182 and name HG11)) (( segid " " and resid 164 and name HD2 )) ASSI { 2683} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 184 and name HG2%) 3.400 3.400 2.600 peak 2683 weight 0.10000E+01 volume 0.60813E-03 ppm1 1.989 ppm2 0.914 CV 1 OR { 2683} (( segid " " and resid 186 and name HB1 )) (( segid " " and resid 182 and name HG11)) OR { 2683} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 161 and name HG1%) OR { 2683} (( segid " " and resid 186 and name HB1 )) (( segid " " and resid 182 and name HG12)) ASSI { 1802} (( segid " " and resid 156 and name HG1 )) (( segid " " and resid 155 and name HB1 )) 2.800 1.000 1.200 peak 1802 weight 0.10000E+01 volume 0.17745E-02 ppm1 1.394 ppm2 3.255 CV 1 OR { 1802} (( segid " " and resid 156 and name HG1 )) (( segid " " and resid 156 and name HD1 )) ASSI { 1789} (( segid " " and resid 156 and name HG1 )) (( segid " " and resid 156 and name HA )) 2.500 0.800 1.000 peak 1789 weight 0.10000E+01 volume 0.33230E-02 ppm1 1.400 ppm2 4.153 CV 1 OR { 1789} (( segid " " and resid 138 and name HG12)) (( segid " " and resid 138 and name HA )) ASSI { 1770} (( segid " " and resid 158 and name HG2 )) ( segid " " and resid 210 and name HG2%) 2.800 1.000 1.200 peak 1770 weight 0.10000E+01 volume 0.19808E-02 ppm1 1.250 ppm2 0.970 CV 1 OR { 1770} (( segid " " and resid 158 and name HG2 )) ( segid " " and resid 191 and name HG2%) ASSI { 2684} (( segid " " and resid 137 and name HG2 )) ( segid " " and resid 161 and name HG1%) 3.500 1.400 1.400 peak 2684 weight 0.10000E+01 volume 0.68849E-03 ppm1 2.037 ppm2 0.978 CV 1 OR { 2684} (( segid " " and resid 137 and name HG2 )) ( segid " " and resid 210 and name HG2%) OR { 2684} (( segid " " and resid 137 and name HG1 )) ( segid " " and resid 161 and name HG1%) ASSI { 1795} (( segid " " and resid 138 and name HG11)) (( segid " " and resid 138 and name HA )) 2.800 1.000 1.200 peak 1795 weight 0.10000E+01 volume 0.18049E-02 ppm1 1.613 ppm2 4.153 CV 1 OR { 1795} (( segid " " and resid 228 and name HG2 )) (( segid " " and resid 225 and name HA )) ASSI { 1804} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 219 and name HB2 )) 3.000 3.000 3.000 peak 1804 weight 0.10000E+01 volume 0.13314E-02 ppm1 1.614 ppm2 2.081 CV 1 OR { 1804} (( segid " " and resid 228 and name HG2 )) (( segid " " and resid 227 and name HB2 )) ASSI { 1841} (( segid " " and resid 158 and name HG1 )) (( segid " " and resid 158 and name HA )) 2.700 0.900 1.100 peak 1841 weight 0.10000E+01 volume 0.24542E-02 ppm1 1.521 ppm2 4.394 CV 1 OR { 1841} (( segid " " and resid 125 and name HG )) (( segid " " and resid 125 and name HA )) ASSI { 1837} (( segid " " and resid 139 and name HG11)) (( segid " " and resid 205 and name HB1 )) 3.300 1.300 1.500 peak 1837 weight 0.10000E+01 volume 0.72541E-03 ppm1 0.921 ppm2 2.331 CV 1 OR { 1837} (( segid " " and resid 139 and name HG11)) (( segid " " and resid 209 and name HB )) ASSI { 1882} ( segid " " and resid 130 and name HD1%) (( segid " " and resid 160 and name HB1 )) 2.800 1.000 1.200 peak 1882 weight 0.10000E+01 volume 0.17853E-02 ppm1 0.622 ppm2 2.012 CV 1 OR { 1882} ( segid " " and resid 130 and name HD1%) (( segid " " and resid 186 and name HB1 )) ASSI { 1889} (( segid " " and resid 194 and name HG1 )) (( segid " " and resid 194 and name HB2 )) 2.100 0.500 0.700 peak 1889 weight 0.10000E+01 volume 0.11684E-01 ppm1 1.510 ppm2 1.879 CV 1 OR { 1889} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 200 and name HB2 )) OR { 1889} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 200 and name HB1 )) ASSI { 1895} (( segid " " and resid 194 and name HG1 )) (( segid " " and resid 194 and name HE2 )) 2.500 0.800 1.000 peak 1895 weight 0.10000E+01 volume 0.35402E-02 ppm1 1.518 ppm2 3.010 CV 1 OR { 1895} (( segid " " and resid 194 and name HG1 )) (( segid " " and resid 194 and name HE1 )) OR { 1895} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 200 and name HE1 )) OR { 1895} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 200 and name HE2 )) ASSI { 1891} (( segid " " and resid 204 and name HG1 )) (( segid " " and resid 204 and name HB2 )) 2.200 0.600 0.800 peak 1891 weight 0.10000E+01 volume 0.84270E-02 ppm1 1.617 ppm2 1.939 CV 1 OR { 1891} (( segid " " and resid 200 and name HG2 )) (( segid " " and resid 200 and name HB1 )) OR { 1891} (( segid " " and resid 204 and name HG1 )) (( segid " " and resid 204 and name HB1 )) ASSI { 1924} (( segid " " and resid 185 and name HG2 )) ( segid " " and resid 189 and name HG1%) 2.600 2.600 3.400 peak 1924 weight 0.10000E+01 volume 0.27583E-02 ppm1 1.495 ppm2 1.073 CV 1 OR { 1924} (( segid " " and resid 194 and name HG1 )) ( segid " " and resid 189 and name HG1%) OR { 1924} (( segid " " and resid 194 and name HG2 )) ( segid " " and resid 189 and name HG1%) ASSI { 1938} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 213 and name HB2 )) 2.500 0.800 1.000 peak 1938 weight 0.10000E+01 volume 0.39095E-02 ppm1 1.245 ppm2 2.166 CV 1 OR { 1938} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 180 and name HB )) OR { 1938} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 213 and name HB1 )) ASSI { 1958} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 201 and name HA )) 3.200 3.200 2.800 peak 1958 weight 0.10000E+01 volume 0.87093E-03 ppm1 1.496 ppm2 3.807 CV 1 OR { 1958} (( segid " " and resid 194 and name HG2 )) (( segid " " and resid 195 and name HA2 )) ASSI { 1929} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 158 and name HB2 )) 2.800 2.800 3.200 peak 1929 weight 0.10000E+01 volume 0.20329E-02 ppm1 1.251 ppm2 1.657 CV 1 OR { 1929} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 206 and name HB2 )) OR { 1929} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 206 and name HG2 )) ASSI { 1930} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 158 and name HB2 )) 3.100 3.100 2.900 peak 1930 weight 0.10000E+01 volume 0.10317E-02 ppm1 1.211 ppm2 1.680 CV 1 OR { 1930} ( segid " " and resid 210 and name HG1%) (( segid " " and resid 160 and name HB2 )) ASSI { 1912} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 186 and name HA )) 3.500 1.400 1.400 peak 1912 weight 0.10000E+01 volume 0.64288E-03 ppm1 0.703 ppm2 4.084 CV 1 OR { 1912} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 183 and name HA )) ASSI { 1916} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HB2 )) 2.200 0.600 0.800 peak 1916 weight 0.10000E+01 volume 0.83184E-02 ppm1 0.704 ppm2 1.614 CV 1 OR { 1916} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 186 and name HG2 )) ASSI { 1945} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 175 and name HB1 )) 3.000 1.100 1.300 peak 1945 weight 0.10000E+01 volume 0.12966E-02 ppm1 1.088 ppm2 3.111 CV 1 OR { 1945} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 218 and name HB1 )) ASSI { 1934} ( segid " " and resid 176 and name HG1%) ( segid " " and resid 166 and name HE% ) 2.900 2.900 3.100 peak 1934 weight 0.10000E+01 volume 0.14486E-02 ppm1 1.086 ppm2 1.649 CV 1 OR { 1934} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 164 and name HB2 )) OR { 1934} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 220 and name HG2 )) ASSI { 1974} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 199 and name HA )) 3.000 3.000 3.000 peak 1974 weight 0.10000E+01 volume 0.11793E-02 ppm1 1.495 ppm2 4.629 CV 1 OR { 1974} (( segid " " and resid 194 and name HG1 )) (( segid " " and resid 187 and name HA )) ASSI { 1943} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 214 and name HB2 )) 2.500 0.800 1.000 peak 1943 weight 0.10000E+01 volume 0.35185E-02 ppm1 1.088 ppm2 2.908 CV 1 OR { 1943} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 172 and name HB1 )) ASSI { 1947} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 215 and name HA )) 2.100 0.600 0.800 peak 1947 weight 0.10000E+01 volume 0.94912E-02 ppm1 1.087 ppm2 3.559 CV 1 OR { 1947} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 214 and name HB1 )) ASSI { 2005} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 158 and name HB2 )) 2.600 0.700 0.900 peak 2005 weight 0.10000E+01 volume 0.62551E-02 ppm1 0.963 ppm2 1.645 CV 1 OR { 2005} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 206 and name HG2 )) ASSI { 1998} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 210 and name HA )) 2.100 0.500 0.700 peak 1998 weight 0.10000E+01 volume 0.11446E-01 ppm1 0.963 ppm2 3.680 CV 1 OR { 1998} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 210 and name HA )) ASSI { 2007} ( segid " " and resid 210 and name HG2%) ( segid " " and resid 210 and name HG1%) 1.900 0.400 0.600 peak 2007 weight 0.10000E+01 volume 0.19786E-01 ppm1 0.964 ppm2 1.246 CV 1 OR { 2007} ( segid " " and resid 161 and name HG1%) ( segid " " and resid 210 and name HG1%) ASSI { 2010} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 139 and name HG12)) 2.600 2.600 3.400 peak 2010 weight 0.10000E+01 volume 0.32796E-02 ppm1 1.334 ppm2 0.789 CV 1 OR { 2010} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 184 and name HD1%) ASSI { 1995} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 213 and name HA )) 2.700 2.700 3.300 peak 1995 weight 0.10000E+01 volume 0.21937E-02 ppm1 1.333 ppm2 4.162 CV 1 OR { 1995} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 138 and name HA )) OR { 1995} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 205 and name HA )) ASSI { 2015} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 213 and name HG2 )) 3.000 0.800 1.000 peak 2015 weight 0.10000E+01 volume 0.31275E-02 ppm1 1.334 ppm2 2.483 CV 1 OR { 2015} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 212 and name HG1 )) ASSI { 2014} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 212 and name HB2 )) 2.500 2.500 3.500 peak 2014 weight 0.10000E+01 volume 0.41918E-02 ppm1 1.334 ppm2 2.169 CV 1 OR { 2014} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 213 and name HB2 )) OR { 2014} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 213 and name HB1 )) ASSI { 2006} ( segid " " and resid 210 and name HG2%) ( segid " " and resid 183 and name HG2%) 2.100 0.500 0.700 peak 2006 weight 0.10000E+01 volume 0.11207E-01 ppm1 0.962 ppm2 1.498 CV 1 OR { 2006} ( segid " " and resid 161 and name HG1%) ( segid " " and resid 183 and name HG2%) ASSI { 2004} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 137 and name HB2 )) 3.000 3.000 3.000 peak 2004 weight 0.10000E+01 volume 0.12314E-02 ppm1 0.958 ppm2 1.763 CV 1 OR { 2004} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 136 and name HB1 )) OR { 2004} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 137 and name HB2 )) OR { 2004} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 208 and name HG2 )) ASSI { 2034} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 213 and name HG2 )) 2.700 2.700 3.300 peak 2034 weight 0.10000E+01 volume 0.21937E-02 ppm1 0.957 ppm2 2.480 CV 1 OR { 2034} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 134 and name HG1 )) OR { 2034} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 213 and name HG2 )) ASSI { 2043} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 181 and name HB1 )) 2.700 2.700 3.300 peak 2043 weight 0.10000E+01 volume 0.21046E-02 ppm1 1.099 ppm2 2.896 CV 1 OR { 2043} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 214 and name HB2 )) ASSI { 2036} ( segid " " and resid 161 and name HG1%) ( segid " " and resid 161 and name HG2%) 1.900 0.400 0.600 peak 2036 weight 0.10000E+01 volume 0.19851E-01 ppm1 0.958 ppm2 0.782 CV 1 OR { 2036} ( segid " " and resid 210 and name HG2%) ( segid " " and resid 184 and name HD1%) ASSI { 2044} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 179 and name HB1 )) 2.900 2.900 3.100 peak 2044 weight 0.10000E+01 volume 0.14617E-02 ppm1 1.098 ppm2 3.382 CV 1 OR { 2044} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 177 and name HB1 )) OR { 2044} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 177 and name HB2 )) ASSI { 2047} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 181 and name HA )) 2.600 0.800 1.000 peak 2047 weight 0.10000E+01 volume 0.30841E-02 ppm1 1.099 ppm2 4.334 CV 1 OR { 2047} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 177 and name HA )) ASSI { 2045} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 180 and name HA )) 2.000 0.500 0.700 peak 2045 weight 0.10000E+01 volume 0.15529E-01 ppm1 1.099 ppm2 3.646 CV 1 OR { 2045} ( segid " " and resid 180 and name HG1%) (( segid " " and resid 207 and name HA )) ASSI { 2060} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 206 and name HG1 )) 3.000 0.900 1.100 peak 2060 weight 0.10000E+01 volume 0.25412E-02 ppm1 0.998 ppm2 1.937 CV 1 OR { 2060} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 206 and name HB1 )) OR { 2060} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 200 and name HB1 )) OR { 2060} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 200 and name HB2 )) ASSI { 2055} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 188 and name HA )) 2.700 2.700 3.300 peak 2055 weight 0.10000E+01 volume 0.24977E-02 ppm1 0.986 ppm2 4.123 CV 1 OR { 2055} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 204 and name HA )) ASSI { 2053} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 199 and name HA )) 3.300 1.400 1.600 peak 2053 weight 0.10000E+01 volume 0.67546E-03 ppm1 0.999 ppm2 4.616 CV 1 OR { 2053} ( segid " " and resid 203 and name HG1%) (( segid " " and resid 202 and name HA )) ASSI { 2113} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 184 and name HA )) 2.500 0.800 1.000 peak 2113 weight 0.10000E+01 volume 0.38225E-02 ppm1 1.488 ppm2 3.683 CV 1 OR { 2113} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 210 and name HA )) ASSI { 2130} ( segid " " and resid 183 and name HG2%) ( segid " " and resid 213 and name HE% ) 2.600 0.900 1.100 peak 2130 weight 0.10000E+01 volume 0.26931E-02 ppm1 1.488 ppm2 1.894 CV 1 OR { 2130} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 186 and name HB2 )) ASSI { 2131} ( segid " " and resid 183 and name HG2%) ( segid " " and resid 184 and name HD1%) 2.500 2.500 3.500 peak 2131 weight 0.10000E+01 volume 0.38225E-02 ppm1 1.488 ppm2 0.801 CV 1 OR { 2131} ( segid " " and resid 183 and name HG2%) ( segid " " and resid 161 and name HG2%) ASSI { 2129} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 184 and name HB )) 3.000 3.000 3.000 peak 2129 weight 0.10000E+01 volume 0.12532E-02 ppm1 1.487 ppm2 2.072 CV 1 OR { 2129} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 186 and name HG1 )) ASSI { 2115} ( segid " " and resid 216 and name HG2%) (( segid " " and resid 217 and name HA )) 2.800 1.000 1.200 peak 2115 weight 0.10000E+01 volume 0.19765E-02 ppm1 1.246 ppm2 3.667 CV 1 OR { 2115} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 184 and name HA )) ASSI { 2108} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 176 and name HB )) 1.700 0.400 0.700 peak 2108 weight 0.10000E+01 volume 0.31927E-01 ppm1 1.061 ppm2 2.243 CV 1 OR { 2108} ( segid " " and resid 189 and name HG1%) (( segid " " and resid 189 and name HB )) ASSI { 2137} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 214 and name HB2 )) 2.800 0.800 1.000 peak 2137 weight 0.10000E+01 volume 0.37574E-02 ppm1 1.056 ppm2 2.908 CV 1 OR { 2137} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 172 and name HB1 )) ASSI { 2084} ( segid " " and resid 130 and name HD2%) ( segid " " and resid 163 and name HD% ) 2.800 2.800 3.200 peak 2084 weight 0.10000E+01 volume 0.82967E-03 ppm1 0.020 ppm2 7.008 CV 1 OR { 2084} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 187 and name HD2 )) ASSI { 2104} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 214 and name HB1 )) 2.200 2.200 3.800 peak 2104 weight 0.10000E+01 volume 0.81012E-02 ppm1 1.047 ppm2 3.558 CV 1 OR { 2104} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 172 and name HA )) OR { 2104} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 215 and name HA )) ASSI { 2126} ( segid " " and resid 199 and name HG2%) (( segid " " and resid 202 and name HB2 )) 3.000 3.000 3.000 peak 2126 weight 0.10000E+01 volume 0.12944E-02 ppm1 1.454 ppm2 2.645 CV 1 OR { 2126} ( segid " " and resid 199 and name HG2%) (( segid " " and resid 197 and name HB1 )) ASSI { 2101} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 177 and name HA )) 2.600 0.900 1.100 peak 2101 weight 0.10000E+01 volume 0.27149E-02 ppm1 1.050 ppm2 4.303 CV 1 OR { 2101} ( segid " " and resid 189 and name HG1%) (( segid " " and resid 190 and name HB )) ASSI { 2096} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 161 and name HB )) 3.300 1.400 1.600 peak 2096 weight 0.10000E+01 volume 0.64288E-03 ppm1 0.021 ppm2 2.610 CV 1 OR { 2096} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 162 and name HB1 )) OR { 2096} ( segid " " and resid 130 and name HD2%) (( segid " " and resid 162 and name HB2 )) ASSI { 2118} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 190 and name HB )) 1.600 0.300 0.800 peak 2118 weight 0.10000E+01 volume 0.51257E-01 ppm1 1.302 ppm2 4.294 CV 1 OR { 2118} ( segid " " and resid 193 and name HG2%) (( segid " " and resid 193 and name HB )) ASSI { 2178} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 137 and name HD2 )) 2.700 0.900 1.100 peak 2178 weight 0.10000E+01 volume 0.24542E-02 ppm1 1.304 ppm2 3.961 CV 1 OR { 2178} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 137 and name HD1 )) OR { 2178} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 189 and name HA )) ASSI { 2152} ( segid " " and resid 180 and name HG2%) (( segid " " and resid 177 and name HD2 )) 2.800 0.700 0.900 peak 2152 weight 0.10000E+01 volume 0.25194E-02 ppm1 0.986 ppm2 7.367 CV 1 OR { 2152} ( segid " " and resid 191 and name HG2%) ( segid " " and resid 198 and name HD% ) ASSI { 2186} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 198 and name HB1 )) 2.900 1.000 1.200 peak 2186 weight 0.10000E+01 volume 0.16202E-02 ppm1 1.266 ppm2 3.182 CV 1 OR { 2186} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 187 and name HB2 )) ASSI { 2158} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 205 and name HA )) 3.100 3.100 2.900 peak 2158 weight 0.10000E+01 volume 0.11076E-02 ppm1 0.726 ppm2 4.141 CV 1 OR { 2158} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 150 and name HA )) OR { 2158} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 204 and name HA )) ASSI { 2157} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 205 and name HG1 )) 2.300 0.700 0.900 peak 2157 weight 0.10000E+01 volume 0.56904E-02 ppm1 0.725 ppm2 2.948 CV 1 OR { 2157} ( segid " " and resid 201 and name HG2%) (( segid " " and resid 204 and name HE1 )) ASSI { 2211} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 157 and name HB1 )) 2.300 2.300 3.700 peak 2211 weight 0.10000E+01 volume 0.56904E-02 ppm1 1.299 ppm2 3.119 CV 1 OR { 2211} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 198 and name HB1 )) ASSI { 2210} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 151 and name HD1 )) 3.300 3.300 2.700 peak 2210 weight 0.10000E+01 volume 0.70804E-03 ppm1 1.297 ppm2 3.346 CV 1 OR { 2210} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 187 and name HB1 )) OR { 2210} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 203 and name HA )) OR { 2210} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 141 and name HB1 )) ASSI { 2216} ( segid " " and resid 209 and name HG2%) ( segid " " and resid 213 and name HE% ) 2.100 2.100 3.900 peak 2216 weight 0.10000E+01 volume 0.99690E-02 ppm1 1.299 ppm2 1.914 CV 1 OR { 2216} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 138 and name HB )) ASSI { 2207} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 210 and name HA )) 2.400 2.400 3.600 peak 2207 weight 0.10000E+01 volume 0.52126E-02 ppm1 1.299 ppm2 3.673 CV 1 OR { 2207} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 207 and name HA )) ASSI { 2218} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 196 and name HB1 )) 2.500 2.500 3.500 peak 2218 weight 0.10000E+01 volume 0.35185E-02 ppm1 1.299 ppm2 1.647 CV 1 OR { 2218} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 206 and name HG2 )) ASSI { 2215} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 154 and name HG2 )) 2.600 2.600 3.400 peak 2215 weight 0.10000E+01 volume 0.29538E-02 ppm1 1.299 ppm2 2.170 CV 1 OR { 2215} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 212 and name HB2 )) OR { 2215} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 205 and name HG2 )) ASSI { 2260} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 163 and name HA )) 3.400 1.400 1.600 peak 2260 weight 0.10000E+01 volume 0.58858E-03 ppm1 0.780 ppm2 4.787 CV 1 OR { 2260} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 179 and name HA )) ASSI { 2266} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 214 and name HB2 )) 3.400 1.500 1.500 peak 2266 weight 0.10000E+01 volume 0.55818E-03 ppm1 0.781 ppm2 2.886 CV 1 OR { 2266} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 128 and name HB1 )) ASSI { 2249} ( segid " " and resid 182 and name HG2%) ( segid " " and resid 183 and name HG2%) 2.600 2.600 3.400 peak 2249 weight 0.10000E+01 volume 0.27149E-02 ppm1 0.302 ppm2 1.503 CV 1 OR { 2249} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 125 and name HG )) OR { 2249} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 185 and name HG2 )) ASSI { 2268} ( segid " " and resid 161 and name HG2%) ( segid " " and resid 134 and name HE% ) 2.200 0.600 0.800 peak 2268 weight 0.10000E+01 volume 0.71673E-02 ppm1 0.779 ppm2 2.157 CV 1 OR { 2268} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 213 and name HB1 )) ASSI { 2262} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 160 and name HA )) 2.800 1.000 1.200 peak 2262 weight 0.10000E+01 volume 0.20090E-02 ppm1 0.780 ppm2 4.521 CV 1 OR { 2262} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 130 and name HA )) ASSI { 2278} ( segid " " and resid 133 and name HB% ) (( segid " " and resid 134 and name HA )) 2.800 1.000 1.200 peak 2278 weight 0.10000E+01 volume 0.18287E-02 ppm1 1.296 ppm2 4.734 CV 1 OR { 2278} ( segid " " and resid 133 and name HB% ) (( segid " " and resid 159 and name HA )) ASSI { 2264} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 217 and name HA )) 2.900 2.900 3.100 peak 2264 weight 0.10000E+01 volume 0.13813E-02 ppm1 0.778 ppm2 3.662 CV 1 OR { 2264} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 210 and name HA )) ASSI { 2257} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 183 and name HB )) 2.900 2.900 3.100 peak 2257 weight 0.10000E+01 volume 0.16376E-02 ppm1 0.301 ppm2 4.512 CV 1 OR { 2257} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 128 and name HA )) OR { 2257} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 130 and name HA )) ASSI { 2293} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 146 and name HG1 )) 2.400 0.700 0.900 peak 2293 weight 0.10000E+01 volume 0.51474E-02 ppm1 1.489 ppm2 2.291 CV 1 OR { 2293} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 205 and name HB1 )) ASSI { 2289} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 201 and name HA )) 2.700 2.700 3.300 peak 2289 weight 0.10000E+01 volume 0.22588E-02 ppm1 1.489 ppm2 3.833 CV 1 OR { 2289} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 149 and name HA )) ASSI { 2676} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 146 and name HA )) 2.100 0.500 0.700 peak 2676 weight 0.10000E+01 volume 0.11511E-01 ppm1 1.489 ppm2 3.586 CV 1 OR { 2676} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 150 and name HB1 )) ASSI { 2353} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 220 and name HD1 )) 2.900 2.900 3.100 peak 2353 weight 0.10000E+01 volume 0.15334E-02 ppm1 2.171 ppm2 3.101 CV 1 OR { 2353} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 218 and name HB1 )) ASSI { 2350} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 216 and name HA )) 2.700 2.700 3.300 peak 2350 weight 0.10000E+01 volume 0.25628E-02 ppm1 2.170 ppm2 3.967 CV 1 OR { 2350} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 137 and name HD1 )) OR { 2350} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 137 and name HD2 )) ASSI { 2351} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 217 and name HA )) 2.400 2.400 3.600 peak 2351 weight 0.10000E+01 volume 0.47782E-02 ppm1 2.169 ppm2 3.670 CV 1 OR { 2351} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 210 and name HA )) ASSI { 2343} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 151 and name HA )) 2.100 2.100 3.900 peak 2343 weight 0.10000E+01 volume 0.10491E-01 ppm1 2.039 ppm2 3.946 CV 1 OR { 2343} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 137 and name HD2 )) ASSI { 2342} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 159 and name HB1 )) 3.000 3.000 3.000 peak 2342 weight 0.10000E+01 volume 0.11380E-02 ppm1 2.038 ppm2 3.609 CV 1 OR { 2342} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 206 and name HA )) ASSI { 2345} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 136 and name HA )) 2.500 2.500 3.500 peak 2345 weight 0.10000E+01 volume 0.34316E-02 ppm1 2.039 ppm2 4.427 CV 1 OR { 2345} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 137 and name HA )) ASSI { 2361} ( segid " " and resid 154 and name HE% ) ( segid " " and resid 138 and name HG2%) 2.500 2.500 3.500 peak 2361 weight 0.10000E+01 volume 0.36488E-02 ppm1 2.040 ppm2 0.757 CV 1 OR { 2361} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 139 and name HG12)) ASSI { 2329} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HA )) 2.900 1.100 1.300 peak 2329 weight 0.10000E+01 volume 0.15182E-02 ppm1 0.743 ppm2 3.938 CV 1 OR { 2329} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 151 and name HA )) ASSI { 2321} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 208 and name HD1 )) 3.000 1.100 1.300 peak 2321 weight 0.10000E+01 volume 0.13618E-02 ppm1 -0.025 ppm2 3.287 CV 1 OR { 2321} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HB1 )) ASSI { 2324} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 205 and name HB1 )) 3.100 3.100 2.900 peak 2324 weight 0.10000E+01 volume 0.97953E-03 ppm1 -0.025 ppm2 2.293 CV 1 OR { 2324} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 137 and name HB1 )) ASSI { 2320} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 205 and name HA )) 3.100 1.200 1.400 peak 2320 weight 0.10000E+01 volume 0.10056E-02 ppm1 -0.025 ppm2 4.176 CV 1 OR { 2320} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 138 and name HA )) ASSI { 2409} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 219 and name HG2 )) 2.200 2.200 3.800 peak 2409 weight 0.10000E+01 volume 0.83835E-02 ppm1 1.612 ppm2 2.342 CV 1 OR { 2409} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 165 and name HB1 )) OR { 2409} ( segid " " and resid 166 and name HE% ) (( segid " " and resid 219 and name HB1 )) ASSI { 2407} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 184 and name HG11)) 2.300 0.600 0.800 peak 2407 weight 0.10000E+01 volume 0.65809E-02 ppm1 0.892 ppm2 1.113 CV 1 OR { 2407} ( segid " " and resid 215 and name HG2%) ( segid " " and resid 176 and name HG1%) ASSI { 2434} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 181 and name HA )) 2.900 1.100 1.300 peak 2434 weight 0.10000E+01 volume 0.14638E-02 ppm1 0.891 ppm2 4.331 CV 1 OR { 2434} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 216 and name HB )) ASSI { 2435} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 188 and name HB )) 3.000 3.000 3.000 peak 2435 weight 0.10000E+01 volume 0.11750E-02 ppm1 0.890 ppm2 4.475 CV 1 OR { 2435} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 183 and name HB )) ASSI { 2431} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 187 and name HB2 )) 3.200 1.300 1.500 peak 2431 weight 0.10000E+01 volume 0.78406E-03 ppm1 0.889 ppm2 3.191 CV 1 OR { 2431} ( segid " " and resid 184 and name HG2%) (( segid " " and resid 198 and name HB1 )) ASSI { 2436} ( segid " " and resid 213 and name HE% ) ( segid " " and resid 161 and name HG1%) 1.800 0.400 0.600 peak 2436 weight 0.10000E+01 volume 0.30841E-01 ppm1 1.906 ppm2 0.959 CV 1 OR { 2436} ( segid " " and resid 213 and name HE% ) ( segid " " and resid 210 and name HG2%) ASSI { 2439} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 213 and name HG2 )) 2.100 2.100 3.900 peak 2439 weight 0.10000E+01 volume 0.10382E-01 ppm1 1.907 ppm2 2.474 CV 1 OR { 2439} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 159 and name HB2 )) ASSI { 2447} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 136 and name HA )) 2.500 2.500 3.500 peak 2447 weight 0.10000E+01 volume 0.39095E-02 ppm1 1.907 ppm2 4.428 CV 1 OR { 2447} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 133 and name HA )) OR { 2447} ( segid " " and resid 213 and name HE% ) (( segid " " and resid 214 and name HA )) ASSI { 2468} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 202 and name HA )) 2.900 2.900 3.100 peak 2468 weight 0.10000E+01 volume 0.15898E-02 ppm1 1.355 ppm2 4.608 CV 1 OR { 2468} ( segid " " and resid 206 and name HE% ) (( segid " " and resid 187 and name HA )) ASSI { 2480} ( segid " " and resid 215 and name HD1%) (( segid " " and resid 215 and name HA )) 2.400 2.400 3.600 peak 2480 weight 0.10000E+01 volume 0.46479E-02 ppm1 0.861 ppm2 3.590 CV 1 OR { 2480} ( segid " " and resid 215 and name HD1%) (( segid " " and resid 211 and name HA )) ASSI { 2500} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 183 and name HA )) 3.300 3.300 2.700 peak 2500 weight 0.10000E+01 volume 0.68632E-03 ppm1 0.787 ppm2 4.101 CV 1 OR { 2500} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 204 and name HA )) ASSI { 2495} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 184 and name HG11)) 2.100 0.600 0.800 peak 2495 weight 0.10000E+01 volume 0.94478E-02 ppm1 0.788 ppm2 1.126 CV 1 OR { 2495} ( segid " " and resid 184 and name HD1%) ( segid " " and resid 180 and name HG1%) ASSI { 2507} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 184 and name HB )) 2.100 0.500 0.700 peak 2507 weight 0.10000E+01 volume 0.10990E-01 ppm1 0.789 ppm2 2.105 CV 1 OR { 2507} ( segid " " and resid 184 and name HD1%) (( segid " " and resid 207 and name HG2 )) ASSI { 2515} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 138 and name HA )) 2.900 2.900 3.100 peak 2515 weight 0.10000E+01 volume 0.14747E-02 ppm1 0.488 ppm2 4.175 CV 1 OR { 2515} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 205 and name HA )) ASSI { 2519} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 206 and name HA )) 3.100 3.100 2.900 peak 2519 weight 0.10000E+01 volume 0.10903E-02 ppm1 0.489 ppm2 3.603 CV 1 OR { 2519} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 211 and name HA )) ASSI { 2518} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 210 and name HA )) 3.300 3.300 2.700 peak 2518 weight 0.10000E+01 volume 0.73193E-03 ppm1 0.487 ppm2 3.681 CV 1 OR { 2518} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 207 and name HA )) ASSI { 2549} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 186 and name HA )) 3.200 1.300 1.500 peak 2549 weight 0.10000E+01 volume 0.87962E-03 ppm1 0.439 ppm2 4.068 CV 1 OR { 2549} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 183 and name HA )) OR { 2549} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 185 and name HA )) ASSI { 2547} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 178 and name HA )) 3.200 3.200 2.800 peak 2547 weight 0.10000E+01 volume 0.83618E-03 ppm1 0.439 ppm2 4.557 CV 1 OR { 2547} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 187 and name HA )) OR { 2547} ( segid " " and resid 182 and name HD1%) (( segid " " and resid 130 and name HA )) ASSI { 2540} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 151 and name HA )) 3.300 1.400 1.600 peak 2540 weight 0.10000E+01 volume 0.66677E-03 ppm1 0.913 ppm2 3.972 CV 1 OR { 2540} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 137 and name HD2 )) ASSI { 2560} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 151 and name HG2 )) 2.700 2.700 3.300 peak 2560 weight 0.10000E+01 volume 0.21350E-02 ppm1 0.909 ppm2 1.764 CV 1 OR { 2560} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 136 and name HB1 )) OR { 2560} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 137 and name HB2 )) ASSI { 15} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.800 1.800 1.800 peak 15 weight 0.10000E+01 volume 0.28664E-03 ppm1 6.438 ppm2 1.737 CV 1 OR { 15} (( segid " " and resid 139 and name HN )) (( segid " " and resid 151 and name HG2 )) ASSI { 24} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HG12)) 2.500 0.800 1.000 peak 24 weight 0.10000E+01 volume 0.36833E-02 ppm1 6.437 ppm2 0.742 CV 1 OR { 24} (( segid " " and resid 139 and name HN )) ( segid " " and resid 138 and name HG2%) ASSI { 35} (( segid " " and resid 136 and name HN )) ( segid " " and resid 154 and name HE% ) 3.000 1.100 1.300 peak 35 weight 0.10000E+01 volume 0.12031E-02 ppm1 8.650 ppm2 2.006 CV 1 OR { 35} (( segid " " and resid 136 and name HN )) (( segid " " and resid 134 and name HB2 )) ASSI { 37} (( segid " " and resid 136 and name HN )) ( segid " " and resid 209 and name HG1%) 3.400 1.500 1.500 peak 37 weight 0.10000E+01 volume 0.47824E-03 ppm1 8.650 ppm2 1.287 CV 1 OR { 37} (( segid " " and resid 136 and name HN )) ( segid " " and resid 133 and name HB% ) ASSI { 33} (( segid " " and resid 136 and name HN )) (( segid " " and resid 159 and name HB2 )) 3.500 1.500 1.500 peak 33 weight 0.10000E+01 volume 0.47329E-03 ppm1 8.650 ppm2 2.456 CV 1 OR { 33} (( segid " " and resid 136 and name HN )) (( segid " " and resid 134 and name HG1 )) ASSI { 34} (( segid " " and resid 136 and name HN )) (( segid " " and resid 154 and name HG2 )) 3.700 3.700 2.300 peak 34 weight 0.10000E+01 volume 0.31832E-03 ppm1 8.650 ppm2 2.186 CV 1 OR { 34} (( segid " " and resid 136 and name HN )) ( segid " " and resid 134 and name HE% ) OR { 34} (( segid " " and resid 136 and name HN )) (( segid " " and resid 213 and name HB1 )) OR { 34} (( segid " " and resid 136 and name HN )) (( segid " " and resid 212 and name HB2 )) OR { 34} (( segid " " and resid 136 and name HN )) (( segid " " and resid 213 and name HB2 )) ASSI { 1896} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 1.900 0.500 0.700 peak 1896 weight 0.10000E+01 volume 0.15297E-01 ppm1 8.765 ppm2 4.408 CV 1 OR { 1896} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) ASSI { 64} (( segid " " and resid 180 and name HN )) (( segid " " and resid 178 and name HA )) 3.700 1.700 1.700 peak 64 weight 0.10000E+01 volume 0.31734E-03 ppm1 9.150 ppm2 4.522 CV 1 OR { 64} (( segid " " and resid 180 and name HN )) (( segid " " and resid 183 and name HB )) ASSI { 1884} (( segid " " and resid 180 and name HN )) ( segid " " and resid 180 and name HG1%) 2.400 2.400 3.600 peak 1884 weight 0.10000E+01 volume 0.39506E-02 ppm1 9.148 ppm2 1.067 CV 1 OR { 1884} (( segid " " and resid 180 and name HN )) ( segid " " and resid 176 and name HG2%) ASSI { 69} (( segid " " and resid 180 and name HN )) (( segid " " and resid 214 and name HB2 )) 3.200 1.300 1.500 peak 69 weight 0.10000E+01 volume 0.77231E-03 ppm1 9.146 ppm2 2.857 CV 1 OR { 69} (( segid " " and resid 180 and name HN )) (( segid " " and resid 178 and name HB1 )) OR { 69} (( segid " " and resid 180 and name HN )) (( segid " " and resid 181 and name HB1 )) ASSI { 68} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HB2 )) 3.000 1.200 1.400 peak 68 weight 0.10000E+01 volume 0.10000E-02 ppm1 9.149 ppm2 2.985 CV 1 OR { 68} (( segid " " and resid 180 and name HN )) (( segid " " and resid 178 and name HB2 )) ASSI { 93} (( segid " " and resid 144 and name HN )) (( segid " " and resid 147 and name HN )) 3.800 1.800 1.800 peak 93 weight 0.10000E+01 volume 0.31486E-03 ppm1 9.047 ppm2 8.233 CV 1 OR { 93} (( segid " " and resid 144 and name HN )) (( segid " " and resid 148 and name HN )) ASSI { 124} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HA1 )) 4.000 1.700 1.700 peak 124 weight 0.10000E+01 volume 0.32180E-03 ppm1 10.300 ppm2 4.175 CV 1 OR { 124} (( segid " " and resid 141 and name HN )) (( segid " " and resid 205 and name HA )) ASSI { 122} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB1 )) 2.700 0.900 1.100 peak 122 weight 0.10000E+01 volume 0.21684E-02 ppm1 10.297 ppm2 3.321 CV 1 OR { 122} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB1 )) ASSI { 130} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 3.200 1.300 1.500 peak 130 weight 0.10000E+01 volume 0.75251E-03 ppm1 10.298 ppm2 8.230 CV 1 OR { 130} (( segid " " and resid 141 and name HN )) (( segid " " and resid 147 and name HN )) ASSI { 119} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.100 1.200 1.400 peak 119 weight 0.10000E+01 volume 0.86142E-03 ppm1 10.298 ppm2 2.911 CV 1 OR { 119} (( segid " " and resid 141 and name HN )) (( segid " " and resid 147 and name HB2 )) ASSI { 149} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HD1 )) 3.300 1.300 1.500 peak 149 weight 0.10000E+01 volume 0.66339E-03 ppm1 8.055 ppm2 1.599 CV 1 OR { 149} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HD2 )) OR { 149} (( segid " " and resid 185 and name HN )) (( segid " " and resid 182 and name HB )) ASSI { 161} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HE1 )) 3.900 1.900 1.900 peak 161 weight 0.10000E+01 volume 0.24357E-03 ppm1 8.052 ppm2 2.878 CV 1 OR { 161} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HE2 )) OR { 161} (( segid " " and resid 185 and name HN )) (( segid " " and resid 181 and name HB1 )) ASSI { 155} (( segid " " and resid 189 and name HN )) (( segid " " and resid 190 and name HB )) 3.100 3.100 2.900 peak 155 weight 0.10000E+01 volume 0.84656E-03 ppm1 8.053 ppm2 4.276 CV 1 OR { 155} (( segid " " and resid 189 and name HN )) (( segid " " and resid 193 and name HB )) ASSI { 167} (( segid " " and resid 231 and name HN )) (( segid " " and resid 231 and name HB2 )) 2.600 0.800 1.000 peak 167 weight 0.10000E+01 volume 0.28912E-02 ppm1 8.006 ppm2 3.867 CV 1 OR { 167} (( segid " " and resid 231 and name HN )) (( segid " " and resid 231 and name HB1 )) OR { 167} (( segid " " and resid 231 and name HN )) (( segid " " and resid 230 and name HB1 )) ASSI { 202} (( segid " " and resid 138 and name HN )) ( segid " " and resid 154 and name HE% ) 3.000 1.100 1.300 peak 202 weight 0.10000E+01 volume 0.11980E-02 ppm1 8.658 ppm2 2.055 CV 1 OR { 202} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HG1 )) ASSI { 236} (( segid " " and resid 217 and name HN )) ( segid " " and resid 161 and name HG1%) 3.100 3.100 2.900 peak 236 weight 0.10000E+01 volume 0.82677E-03 ppm1 8.695 ppm2 0.938 CV 1 OR { 236} (( segid " " and resid 217 and name HN )) ( segid " " and resid 180 and name HG2%) OR { 236} (( segid " " and resid 198 and name HN )) ( segid " " and resid 203 and name HG2%) ASSI { 256} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB1 )) 2.500 2.500 3.500 peak 256 weight 0.10000E+01 volume 0.30496E-02 ppm1 8.236 ppm2 3.304 CV 1 ASSI { 290} (( segid " " and resid 210 and name HN )) (( segid " " and resid 211 and name HG2 )) 3.400 1.200 1.400 peak 290 weight 0.10000E+01 volume 0.95054E-03 ppm1 9.102 ppm2 2.121 CV 1 OR { 290} (( segid " " and resid 210 and name HN )) (( segid " " and resid 212 and name HB2 )) OR { 290} (( segid " " and resid 210 and name HN )) (( segid " " and resid 208 and name HB1 )) OR { 290} (( segid " " and resid 210 and name HN )) (( segid " " and resid 207 and name HG2 )) ASSI { 294} (( segid " " and resid 210 and name HN )) ( segid " " and resid 210 and name HG1%) 2.500 2.500 3.500 peak 294 weight 0.10000E+01 volume 0.32575E-02 ppm1 9.101 ppm2 1.258 CV 1 OR { 294} (( segid " " and resid 210 and name HN )) ( segid " " and resid 209 and name HG2%) ASSI { 300} (( segid " " and resid 218 and name HN )) (( segid " " and resid 172 and name HB2 )) 3.000 3.000 3.000 peak 300 weight 0.10000E+01 volume 0.11734E-02 ppm1 8.587 ppm2 2.945 CV 1 OR { 300} (( segid " " and resid 218 and name HN )) (( segid " " and resid 220 and name HD2 )) OR { 300} (( segid " " and resid 218 and name HN )) (( segid " " and resid 172 and name HB1 )) ASSI { 304} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB )) 2.500 0.800 1.000 peak 304 weight 0.10000E+01 volume 0.33764E-02 ppm1 8.504 ppm2 2.589 CV 1 OR { 304} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB2 )) ASSI { 316} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB1 )) 2.300 0.600 0.800 peak 316 weight 0.10000E+01 volume 0.60398E-02 ppm1 8.079 ppm2 1.577 CV 1 OR { 316} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB1 )) ASSI { 292} (( segid " " and resid 210 and name HN )) (( segid " " and resid 206 and name HG2 )) 3.800 1.800 1.800 peak 292 weight 0.10000E+01 volume 0.25347E-03 ppm1 9.101 ppm2 1.620 CV 1 OR { 292} (( segid " " and resid 210 and name HN )) (( segid " " and resid 206 and name HB2 )) OR { 292} (( segid " " and resid 210 and name HN )) (( segid " " and resid 158 and name HB2 )) ASSI { 1893} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA )) 2.100 0.500 0.700 peak 1893 weight 0.10000E+01 volume 0.10149E-01 ppm1 8.078 ppm2 4.528 CV 1 OR { 1893} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) ASSI { 352} (( segid " " and resid 162 and name HN )) ( segid " " and resid 183 and name HG2%) 2.700 0.900 1.100 peak 352 weight 0.10000E+01 volume 0.18516E-02 ppm1 8.495 ppm2 1.461 CV 1 OR { 352} (( segid " " and resid 184 and name HN )) ( segid " " and resid 183 and name HG2%) ASSI { 344} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HG1 )) 2.800 2.800 3.200 peak 344 weight 0.10000E+01 volume 0.17377E-02 ppm1 7.461 ppm2 1.351 CV 1 OR { 344} (( segid " " and resid 157 and name HN )) (( segid " " and resid 154 and name HB2 )) ASSI { 321} (( segid " " and resid 157 and name HN )) (( segid " " and resid 155 and name HN )) 3.200 1.300 1.500 peak 321 weight 0.10000E+01 volume 0.87132E-03 ppm1 7.462 ppm2 8.036 CV 1 OR { 321} (( segid " " and resid 157 and name HN )) (( segid " " and resid 154 and name HN )) ASSI { 347} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB1 )) 3.200 1.300 1.500 peak 347 weight 0.10000E+01 volume 0.68320E-03 ppm1 7.463 ppm2 2.125 CV 1 OR { 347} (( segid " " and resid 157 and name HN )) (( segid " " and resid 154 and name HG2 )) ASSI { 434} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HG12)) 2.500 2.500 3.500 peak 434 weight 0.10000E+01 volume 0.30843E-02 ppm1 8.487 ppm2 1.873 CV 1 OR { 434} (( segid " " and resid 184 and name HN )) (( segid " " and resid 186 and name HB2 )) ASSI { 438} (( segid " " and resid 134 and name HN )) (( segid " " and resid 159 and name HB2 )) 2.500 0.800 1.000 peak 438 weight 0.10000E+01 volume 0.35942E-02 ppm1 8.709 ppm2 2.448 CV 1 OR { 438} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HG1 )) OR { 438} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HG2 )) ASSI { 437} (( segid " " and resid 134 and name HN )) ( segid " " and resid 134 and name HE% ) 2.800 2.800 3.200 peak 437 weight 0.10000E+01 volume 0.15446E-02 ppm1 8.709 ppm2 2.152 CV 1 OR { 437} (( segid " " and resid 134 and name HN )) (( segid " " and resid 160 and name HG1 )) ASSI { 416} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HE% ) 3.900 1.900 1.900 peak 416 weight 0.10000E+01 volume 0.24655E-03 ppm1 9.030 ppm2 6.652 CV 1 OR { 416} (( segid " " and resid 129 and name HN )) (( segid " " and resid 175 and name HZ )) ASSI { 1925} (( segid " " and resid 224 and name HN )) (( segid " " and resid 224 and name HA )) 2.400 0.700 0.900 peak 1925 weight 0.10000E+01 volume 0.39506E-02 ppm1 7.517 ppm2 4.156 CV 1 OR { 1925} (( segid " " and resid 224 and name HN )) (( segid " " and resid 223 and name HA )) ASSI { 440} (( segid " " and resid 134 and name HN )) (( segid " " and resid 137 and name HD1 )) 3.900 1.900 1.900 peak 440 weight 0.10000E+01 volume 0.23219E-03 ppm1 8.708 ppm2 3.929 CV 1 OR { 440} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HB2 )) ASSI { 1930} (( segid " " and resid 228 and name HN )) (( segid " " and resid 228 and name HA )) 2.100 2.100 3.900 peak 1930 weight 0.10000E+01 volume 0.83667E-02 ppm1 7.958 ppm2 4.234 CV 1 OR { 1930} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HA )) ASSI { 429} (( segid " " and resid 228 and name HN )) (( segid " " and resid 228 and name HD1 )) 3.200 1.200 1.400 peak 429 weight 0.10000E+01 volume 0.80696E-03 ppm1 7.957 ppm2 3.139 CV 1 OR { 429} (( segid " " and resid 228 and name HN )) (( segid " " and resid 228 and name HD2 )) OR { 429} (( segid " " and resid 228 and name HN )) (( segid " " and resid 226 and name HB1 )) ASSI { 445} (( segid " " and resid 150 and name HN )) (( segid " " and resid 146 and name HG1 )) 2.700 2.700 3.300 peak 445 weight 0.10000E+01 volume 0.19754E-02 ppm1 8.973 ppm2 2.289 CV 1 OR { 445} (( segid " " and resid 150 and name HN )) (( segid " " and resid 205 and name HB1 )) ASSI { 425} (( segid " " and resid 211 and name HN )) ( segid " " and resid 180 and name HG2%) 2.900 1.100 1.300 peak 425 weight 0.10000E+01 volume 0.12475E-02 ppm1 7.986 ppm2 0.943 CV 1 OR { 425} (( segid " " and resid 211 and name HN )) ( segid " " and resid 210 and name HG2%) ASSI { 497} (( segid " " and resid 224 and name HN )) (( segid " " and resid 222 and name HN )) 3.700 1.700 1.700 peak 497 weight 0.10000E+01 volume 0.35992E-03 ppm1 7.522 ppm2 8.452 CV 1 OR { 497} (( segid " " and resid 224 and name HN )) (( segid " " and resid 221 and name HN )) ASSI { 473} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HG2 )) 2.400 0.700 0.900 peak 473 weight 0.10000E+01 volume 0.45052E-02 ppm1 7.986 ppm2 2.126 CV 1 OR { 473} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HB1 )) OR { 473} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HG1 )) ASSI { 491} (( segid " " and resid 176 and name HN )) (( segid " " and resid 174 and name HN )) 3.700 1.700 1.700 peak 491 weight 0.10000E+01 volume 0.32724E-03 ppm1 8.970 ppm2 8.668 CV 1 OR { 491} (( segid " " and resid 176 and name HN )) (( segid " " and resid 172 and name HN )) ASSI { 449} (( segid " " and resid 150 and name HN )) (( segid " " and resid 147 and name HB1 )) 3.200 3.200 2.800 peak 449 weight 0.10000E+01 volume 0.68815E-03 ppm1 8.977 ppm2 3.046 CV 1 OR { 449} (( segid " " and resid 176 and name HN )) (( segid " " and resid 174 and name HB1 )) ASSI { 481} (( segid " " and resid 202 and name HN )) (( segid " " and resid 205 and name HG1 )) 3.600 1.600 1.600 peak 481 weight 0.10000E+01 volume 0.37774E-03 ppm1 7.544 ppm2 2.944 CV 1 OR { 481} (( segid " " and resid 224 and name HN )) (( segid " " and resid 226 and name HB2 )) ASSI { 482} (( segid " " and resid 202 and name HN )) (( segid " " and resid 198 and name HB1 )) 3.500 1.500 1.500 peak 482 weight 0.10000E+01 volume 0.46734E-03 ppm1 7.543 ppm2 3.155 CV 1 OR { 482} (( segid " " and resid 224 and name HN )) (( segid " " and resid 226 and name HB1 )) ASSI { 537} (( segid " " and resid 172 and name HN )) (( segid " " and resid 173 and name HB1 )) 3.500 1.500 1.500 peak 537 weight 0.10000E+01 volume 0.41982E-03 ppm1 8.678 ppm2 2.724 CV 1 OR { 537} (( segid " " and resid 172 and name HN )) (( segid " " and resid 175 and name HB2 )) ASSI { 1715} (( segid " " and resid 176 and name HN )) (( segid " " and resid 214 and name HB2 )) 2.800 2.800 3.200 peak 1715 weight 0.10000E+01 volume 0.15792E-02 ppm1 8.946 ppm2 2.891 CV 1 OR { 1715} (( segid " " and resid 176 and name HN )) (( segid " " and resid 178 and name HB1 )) ASSI { 514} (( segid " " and resid 194 and name HN )) ( segid " " and resid 193 and name HG2%) 2.900 1.100 1.300 peak 514 weight 0.10000E+01 volume 0.12327E-02 ppm1 7.621 ppm2 1.294 CV 1 OR { 514} (( segid " " and resid 194 and name HN )) ( segid " " and resid 192 and name HG2%) ASSI { 564} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HN )) 3.200 1.300 1.500 peak 564 weight 0.10000E+01 volume 0.76736E-03 ppm1 8.220 ppm2 9.018 CV 1 OR { 564} (( segid " " and resid 147 and name HN )) (( segid " " and resid 150 and name HN )) OR { 564} (( segid " " and resid 147 and name HN )) (( segid " " and resid 142 and name HN )) ASSI { 559} (( segid " " and resid 147 and name HN )) ( segid " " and resid 141 and name HE% ) 3.900 1.900 1.900 peak 559 weight 0.10000E+01 volume 0.23812E-03 ppm1 8.215 ppm2 6.913 CV 1 OR { 559} (( segid " " and resid 147 and name HN )) ( segid " " and resid 149 and name HD% ) ASSI { 579} (( segid " " and resid 197 and name HN )) (( segid " " and resid 198 and name HB1 )) 2.600 2.600 3.400 peak 579 weight 0.10000E+01 volume 0.24457E-02 ppm1 8.493 ppm2 3.142 CV 1 OR { 579} (( segid " " and resid 197 and name HN )) (( segid " " and resid 158 and name HD1 )) ASSI { 560} (( segid " " and resid 147 and name HN )) (( segid " " and resid 143 and name HN )) 2.800 1.000 1.200 peak 560 weight 0.10000E+01 volume 0.17080E-02 ppm1 8.219 ppm2 7.319 CV 1 OR { 560} (( segid " " and resid 147 and name HN )) ( segid " " and resid 141 and name HD% ) ASSI { 577} (( segid " " and resid 197 and name HN )) (( segid " " and resid 156 and name HB2 )) 3.200 3.200 2.800 peak 577 weight 0.10000E+01 volume 0.81191E-03 ppm1 8.493 ppm2 1.371 CV 1 OR { 577} (( segid " " and resid 197 and name HN )) ( segid " " and resid 206 and name HE% ) ASSI { 592} (( segid " " and resid 227 and name HN )) (( segid " " and resid 224 and name HN )) 3.300 1.400 1.600 peak 592 weight 0.10000E+01 volume 0.64855E-03 ppm1 7.872 ppm2 7.540 CV 1 OR { 592} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HE22)) ASSI { 636} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HE21)) 3.800 1.800 1.800 peak 636 weight 0.10000E+01 volume 0.31536E-03 ppm1 7.869 ppm2 6.865 CV 1 OR { 636} (( segid " " and resid 227 and name HN )) ( segid " " and resid 226 and name HE% ) ASSI { 645} (( segid " " and resid 214 and name HN )) (( segid " " and resid 216 and name HA )) 3.500 3.500 2.500 peak 645 weight 0.10000E+01 volume 0.43517E-03 ppm1 9.221 ppm2 3.960 CV 1 OR { 645} (( segid " " and resid 214 and name HN )) (( segid " " and resid 137 and name HD1 )) OR { 645} (( segid " " and resid 214 and name HN )) (( segid " " and resid 137 and name HD2 )) ASSI { 1929} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HA )) 2.200 0.600 0.800 peak 1929 weight 0.10000E+01 volume 0.62874E-02 ppm1 7.871 ppm2 4.213 CV 1 OR { 1929} (( segid " " and resid 227 and name HN )) (( segid " " and resid 224 and name HA )) ASSI { 664} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HG2 )) 2.600 0.900 1.100 peak 664 weight 0.10000E+01 volume 0.25298E-02 ppm1 8.210 ppm2 2.477 CV 1 OR { 664} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HG1 )) ASSI { 675} (( segid " " and resid 227 and name HN )) (( segid " " and resid 228 and name HG2 )) 3.500 3.500 2.500 peak 675 weight 0.10000E+01 volume 0.40051E-03 ppm1 7.875 ppm2 1.637 CV 1 OR { 675} (( segid " " and resid 227 and name HN )) ( segid " " and resid 166 and name HE% ) ASSI { 683} (( segid " " and resid 213 and name HN )) ( segid " " and resid 213 and name HE% ) 2.600 2.600 3.400 peak 683 weight 0.10000E+01 volume 0.25347E-02 ppm1 8.212 ppm2 1.908 CV 1 OR { 683} (( segid " " and resid 203 and name HN )) (( segid " " and resid 200 and name HB2 )) ASSI { 653} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HG2 )) 2.500 0.800 1.000 peak 653 weight 0.10000E+01 volume 0.34803E-02 ppm1 8.052 ppm2 2.162 CV 1 OR { 653} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) ASSI { 649} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HA )) 2.700 0.900 1.100 peak 649 weight 0.10000E+01 volume 0.19011E-02 ppm1 8.460 ppm2 4.017 CV 1 OR { 649} (( segid " " and resid 221 and name HN )) (( segid " " and resid 220 and name HA )) ASSI { 662} (( segid " " and resid 213 and name HN )) ( segid " " and resid 210 and name HG1%) 2.900 2.900 3.100 peak 662 weight 0.10000E+01 volume 0.13961E-02 ppm1 8.209 ppm2 1.270 CV 1 OR { 662} (( segid " " and resid 203 and name HN )) ( segid " " and resid 188 and name HG2%) OR { 662} (( segid " " and resid 213 and name HN )) ( segid " " and resid 209 and name HG2%) ASSI { 628} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HN )) 2.400 0.700 0.900 peak 628 weight 0.10000E+01 volume 0.42675E-02 ppm1 7.566 ppm2 8.178 CV 1 OR { 628} (( segid " " and resid 204 and name HN )) (( segid " " and resid 205 and name HN )) ASSI { 663} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HB )) 2.200 2.200 3.800 peak 663 weight 0.10000E+01 volume 0.64359E-02 ppm1 8.208 ppm2 2.083 CV 1 OR { 663} (( segid " " and resid 213 and name HN )) (( segid " " and resid 137 and name HG1 )) ASSI { 749} (( segid " " and resid 225 and name HN )) (( segid " " and resid 225 and name HB1 )) 2.300 0.600 0.800 peak 749 weight 0.10000E+01 volume 0.57923E-02 ppm1 8.072 ppm2 2.990 CV 1 OR { 749} (( segid " " and resid 179 and name HN )) (( segid " " and resid 179 and name HB2 )) OR { 749} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HB2 )) ASSI { 688} (( segid " " and resid 203 and name HN )) (( segid " " and resid 204 and name HN )) 2.300 0.700 0.900 peak 688 weight 0.10000E+01 volume 0.53467E-02 ppm1 8.206 ppm2 7.554 CV 1 OR { 688} (( segid " " and resid 203 and name HN )) (( segid " " and resid 202 and name HN )) ASSI { 736} (( segid " " and resid 209 and name HN )) (( segid " " and resid 139 and name HG12)) 3.600 1.600 1.600 peak 736 weight 0.10000E+01 volume 0.35447E-03 ppm1 8.314 ppm2 0.765 CV 1 OR { 736} (( segid " " and resid 209 and name HN )) ( segid " " and resid 184 and name HD1%) ASSI { 731} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HG2 )) 3.300 1.400 1.600 peak 731 weight 0.10000E+01 volume 0.57923E-03 ppm1 8.369 ppm2 1.652 CV 1 OR { 731} (( segid " " and resid 187 and name HN )) (( segid " " and resid 158 and name HB2 )) ASSI { 741} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HG2 )) 3.000 3.000 3.000 peak 741 weight 0.10000E+01 volume 0.10594E-02 ppm1 8.317 ppm2 1.772 CV 1 OR { 741} (( segid " " and resid 209 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 694} (( segid " " and resid 146 and name HN )) (( segid " " and resid 142 and name HN )) 3.400 1.500 1.500 peak 694 weight 0.10000E+01 volume 0.55448E-03 ppm1 7.740 ppm2 9.012 CV 1 OR { 694} (( segid " " and resid 146 and name HN )) (( segid " " and resid 144 and name HN )) ASSI { 735} (( segid " " and resid 209 and name HN )) (( segid " " and resid 139 and name HG11)) 3.000 1.100 1.300 peak 735 weight 0.10000E+01 volume 0.10693E-02 ppm1 8.316 ppm2 0.927 CV 1 OR { 735} (( segid " " and resid 209 and name HN )) ( segid " " and resid 210 and name HG2%) ASSI { 690} (( segid " " and resid 187 and name HN )) (( segid " " and resid 189 and name HN )) 3.300 1.300 1.500 peak 690 weight 0.10000E+01 volume 0.74260E-03 ppm1 8.371 ppm2 8.044 CV 1 OR { 690} (( segid " " and resid 187 and name HN )) (( segid " " and resid 185 and name HN )) ASSI { 763} (( segid " " and resid 145 and name HN )) (( segid " " and resid 147 and name HN )) 3.100 1.200 1.400 peak 763 weight 0.10000E+01 volume 0.10050E-02 ppm1 8.584 ppm2 8.216 CV 1 OR { 763} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HN )) ASSI { 782} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HB2 )) 3.100 3.100 2.900 peak 782 weight 0.10000E+01 volume 0.85647E-03 ppm1 8.583 ppm2 1.916 CV 1 OR { 782} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HG2 )) ASSI { 781} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.500 1.600 1.600 peak 781 weight 0.10000E+01 volume 0.40646E-03 ppm1 8.583 ppm2 1.547 CV 1 OR { 781} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HG2 )) ASSI { 796} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HA )) 2.900 1.100 1.300 peak 796 weight 0.10000E+01 volume 0.13318E-02 ppm1 7.736 ppm2 4.528 CV 1 OR { 796} (( segid " " and resid 178 and name HN )) (( segid " " and resid 174 and name HA )) ASSI { 828} (( segid " " and resid 207 and name HN )) (( segid " " and resid 206 and name HB1 )) 2.300 2.300 3.700 peak 828 weight 0.10000E+01 volume 0.48962E-02 ppm1 8.490 ppm2 1.959 CV 1 OR { 828} (( segid " " and resid 207 and name HN )) (( segid " " and resid 206 and name HG1 )) OR { 828} (( segid " " and resid 207 and name HN )) (( segid " " and resid 208 and name HB2 )) ASSI { 833} (( segid " " and resid 207 and name HN )) (( segid " " and resid 184 and name HG11)) 3.900 1.900 1.900 peak 833 weight 0.10000E+01 volume 0.22080E-03 ppm1 8.487 ppm2 1.099 CV 1 OR { 833} (( segid " " and resid 207 and name HN )) ( segid " " and resid 180 and name HG1%) ASSI { 815} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HD1 )) 2.900 1.000 1.200 peak 815 weight 0.10000E+01 volume 0.13565E-02 ppm1 7.542 ppm2 3.243 CV 1 OR { 815} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB1 )) ASSI { 832} (( segid " " and resid 207 and name HN )) ( segid " " and resid 203 and name HG2%) 2.900 2.900 3.100 peak 832 weight 0.10000E+01 volume 0.12773E-02 ppm1 8.489 ppm2 0.918 CV 1 OR { 832} (( segid " " and resid 207 and name HN )) ( segid " " and resid 184 and name HG2%) ASSI { 860} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HB1 )) 2.600 2.600 3.400 peak 860 weight 0.10000E+01 volume 0.27031E-02 ppm1 8.635 ppm2 2.724 CV 1 OR { 860} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HB2 )) ASSI { 850} (( segid " " and resid 205 and name HN )) ( segid " " and resid 141 and name HE% ) 3.300 1.400 1.600 peak 850 weight 0.10000E+01 volume 0.64855E-03 ppm1 8.156 ppm2 6.864 CV 1 OR { 850} (( segid " " and resid 205 and name HN )) ( segid " " and resid 149 and name HE% ) ASSI { 851} (( segid " " and resid 205 and name HN )) (( segid " " and resid 208 and name HN )) 3.700 1.700 1.700 peak 851 weight 0.10000E+01 volume 0.32922E-03 ppm1 8.156 ppm2 7.306 CV 1 OR { 851} (( segid " " and resid 205 and name HN )) ( segid " " and resid 141 and name HD% ) ASSI { 866} (( segid " " and resid 205 and name HN )) (( segid " " and resid 204 and name HB1 )) 2.200 0.600 0.800 peak 866 weight 0.10000E+01 volume 0.71785E-02 ppm1 8.155 ppm2 1.948 CV 1 OR { 866} (( segid " " and resid 205 and name HN )) (( segid " " and resid 205 and name HB2 )) ASSI { 873} (( segid " " and resid 205 and name HN )) (( segid " " and resid 205 and name HA )) 2.400 0.700 0.900 peak 873 weight 0.10000E+01 volume 0.42576E-02 ppm1 8.155 ppm2 4.130 CV 1 OR { 873} (( segid " " and resid 205 and name HN )) (( segid " " and resid 204 and name HA )) ASSI { 865} (( segid " " and resid 205 and name HN )) (( segid " " and resid 206 and name HB2 )) 3.000 1.100 1.300 peak 865 weight 0.10000E+01 volume 0.11139E-02 ppm1 8.159 ppm2 1.617 CV 1 OR { 865} (( segid " " and resid 205 and name HN )) (( segid " " and resid 204 and name HG1 )) ASSI { 848} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HN )) 2.600 0.800 1.000 peak 848 weight 0.10000E+01 volume 0.30991E-02 ppm1 8.187 ppm2 8.485 CV 1 OR { 848} (( segid " " and resid 183 and name HN )) (( segid " " and resid 162 and name HN )) ASSI { 902} (( segid " " and resid 183 and name HN )) (( segid " " and resid 180 and name HA )) 3.100 1.200 1.400 peak 902 weight 0.10000E+01 volume 0.87132E-03 ppm1 8.186 ppm2 3.699 CV 1 OR { 902} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HA )) ASSI { 903} (( segid " " and resid 183 and name HN )) (( segid " " and resid 181 and name HB2 )) 3.600 3.600 2.400 peak 903 weight 0.10000E+01 volume 0.38616E-03 ppm1 8.185 ppm2 2.816 CV 1 OR { 903} (( segid " " and resid 205 and name HN )) (( segid " " and resid 141 and name HB2 )) ASSI { 906} (( segid " " and resid 183 and name HN )) ( segid " " and resid 183 and name HG2%) 2.800 1.000 1.200 peak 906 weight 0.10000E+01 volume 0.15594E-02 ppm1 8.186 ppm2 1.483 CV 1 OR { 906} (( segid " " and resid 205 and name HN )) ( segid " " and resid 205 and name HE% ) ASSI { 878} (( segid " " and resid 206 and name HN )) (( segid " " and resid 208 and name HN )) 3.500 1.500 1.500 peak 878 weight 0.10000E+01 volume 0.46537E-03 ppm1 8.701 ppm2 7.314 CV 1 OR { 878} (( segid " " and resid 206 and name HN )) ( segid " " and resid 198 and name HD% ) ASSI { 891} (( segid " " and resid 206 and name HN )) (( segid " " and resid 207 and name HG2 )) 2.900 2.900 3.100 peak 891 weight 0.10000E+01 volume 0.13416E-02 ppm1 8.701 ppm2 2.115 CV 1 OR { 891} (( segid " " and resid 206 and name HN )) (( segid " " and resid 208 and name HB1 )) OR { 891} (( segid " " and resid 206 and name HN )) (( segid " " and resid 184 and name HB )) ASSI { 889} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HB2 )) 2.200 0.600 0.800 peak 889 weight 0.10000E+01 volume 0.71785E-02 ppm1 8.700 ppm2 1.934 CV 1 OR { 889} (( segid " " and resid 206 and name HN )) (( segid " " and resid 206 and name HG1 )) ASSI { 895} (( segid " " and resid 206 and name HN )) (( segid " " and resid 158 and name HD2 )) 3.700 3.700 2.300 peak 895 weight 0.10000E+01 volume 0.33764E-03 ppm1 8.700 ppm2 3.099 CV 1 OR { 895} (( segid " " and resid 206 and name HN )) (( segid " " and resid 157 and name HB1 )) ASSI { 1928} (( segid " " and resid 226 and name HN )) (( segid " " and resid 225 and name HA )) 2.500 0.800 1.000 peak 1928 weight 0.10000E+01 volume 0.32823E-02 ppm1 7.976 ppm2 4.149 CV 1 OR { 1928} (( segid " " and resid 226 and name HN )) (( segid " " and resid 223 and name HA )) ASSI { 928} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 2.500 2.500 3.500 peak 928 weight 0.10000E+01 volume 0.29159E-02 ppm1 7.938 ppm2 3.256 CV 1 OR { 928} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HD2 )) ASSI { 1918} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HB )) 2.200 0.600 0.800 peak 1918 weight 0.10000E+01 volume 0.66834E-02 ppm1 8.206 ppm2 4.108 CV 1 OR { 1918} (( segid " " and resid 192 and name HN )) (( segid " " and resid 188 and name HA )) ASSI { 950} (( segid " " and resid 192 and name HN )) ( segid " " and resid 192 and name HG2%) 2.300 2.300 3.700 peak 950 weight 0.10000E+01 volume 0.52972E-02 ppm1 8.206 ppm2 1.295 CV 1 OR { 950} (( segid " " and resid 192 and name HN )) ( segid " " and resid 190 and name HG2%) ASSI { 943} (( segid " " and resid 128 and name HN )) (( segid " " and resid 125 and name HB1 )) 3.200 3.200 2.800 peak 943 weight 0.10000E+01 volume 0.73765E-03 ppm1 7.744 ppm2 1.563 CV 1 OR { 943} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HB1 )) ASSI { 965} (( segid " " and resid 128 and name HN )) (( segid " " and resid 182 and name HG11)) 3.300 3.300 2.700 peak 965 weight 0.10000E+01 volume 0.58914E-03 ppm1 7.744 ppm2 0.873 CV 1 OR { 965} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HB2 )) ASSI { 983} (( segid " " and resid 153 and name HD22)) (( segid " " and resid 152 and name HN )) 3.800 1.800 1.800 peak 983 weight 0.10000E+01 volume 0.30150E-03 ppm1 6.578 ppm2 8.063 CV 1 OR { 983} (( segid " " and resid 153 and name HD22)) (( segid " " and resid 154 and name HN )) ASSI { 982} (( segid " " and resid 153 and name HD21)) (( segid " " and resid 152 and name HN )) 3.800 1.800 1.800 peak 982 weight 0.10000E+01 volume 0.27130E-03 ppm1 6.791 ppm2 8.063 CV 1 OR { 982} (( segid " " and resid 153 and name HD21)) (( segid " " and resid 154 and name HN )) ASSI { 991} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HN )) 2.300 0.700 0.900 peak 991 weight 0.10000E+01 volume 0.52478E-02 ppm1 8.375 ppm2 8.645 CV 1 OR { 991} (( segid " " and resid 173 and name HN )) (( segid " " and resid 174 and name HN )) ASSI { 992} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HB2 )) 2.800 2.800 3.200 peak 992 weight 0.10000E+01 volume 0.18219E-02 ppm1 8.374 ppm2 3.063 CV 1 OR { 992} (( segid " " and resid 177 and name HN )) (( segid " " and resid 174 and name HB1 )) ASSI { 990} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HD21)) 3.300 1.400 1.600 peak 990 weight 0.10000E+01 volume 0.62379E-03 ppm1 8.370 ppm2 7.601 CV 1 OR { 990} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HD21)) ASSI { 1021} (( segid " " and resid 177 and name HN )) ( segid " " and resid 215 and name HD1%) 3.900 1.900 1.900 peak 1021 weight 0.10000E+01 volume 0.24011E-03 ppm1 8.373 ppm2 0.861 CV 1 OR { 1021} (( segid " " and resid 177 and name HN )) (( segid " " and resid 215 and name HG12)) OR { 1021} (( segid " " and resid 173 and name HN )) (( segid " " and resid 215 and name HG12)) OR { 1021} (( segid " " and resid 173 and name HN )) ( segid " " and resid 215 and name HD1%) OR { 1021} (( segid " " and resid 173 and name HN )) ( segid " " and resid 215 and name HG2%) ASSI { 1007} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HD22)) 3.600 1.600 1.600 peak 1007 weight 0.10000E+01 volume 0.43467E-03 ppm1 8.370 ppm2 6.938 CV 1 OR { 1007} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HE21)) ASSI { 1024} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HB2 )) 2.900 1.000 1.200 peak 1024 weight 0.10000E+01 volume 0.14208E-02 ppm1 8.370 ppm2 2.911 CV 1 OR { 1024} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HB1 )) OR { 1024} (( segid " " and resid 173 and name HN )) (( segid " " and resid 174 and name HB2 )) ASSI { 1006} (( segid " " and resid 177 and name HN )) ( segid " " and resid 175 and name HD% ) 3.600 1.600 1.600 peak 1006 weight 0.10000E+01 volume 0.42725E-03 ppm1 8.361 ppm2 7.311 CV 1 OR { 1006} (( segid " " and resid 173 and name HN )) ( segid " " and resid 175 and name HD% ) ASSI { 1050} (( segid " " and resid 208 and name HN )) (( segid " " and resid 139 and name HG11)) 3.400 1.500 1.500 peak 1050 weight 0.10000E+01 volume 0.50992E-03 ppm1 7.310 ppm2 0.927 CV 1 OR { 1050} (( segid " " and resid 208 and name HN )) ( segid " " and resid 210 and name HG2%) ASSI { 1008} (( segid " " and resid 186 and name HN )) (( segid " " and resid 186 and name HE22)) 3.400 1.400 1.600 peak 1008 weight 0.10000E+01 volume 0.58419E-03 ppm1 8.454 ppm2 6.753 CV 1 OR { 1008} (( segid " " and resid 186 and name HN )) ( segid " " and resid 162 and name HE% ) ASSI { 1082} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HD2 )) 3.500 1.500 1.500 peak 1082 weight 0.10000E+01 volume 0.45447E-03 ppm1 8.080 ppm2 3.266 CV 1 OR { 1082} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HB2 )) ASSI { 1096} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB1 )) 2.600 0.800 1.000 peak 1096 weight 0.10000E+01 volume 0.27377E-02 ppm1 8.643 ppm2 2.432 CV 1 OR { 1096} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 1062} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HD22)) 3.400 3.400 2.600 peak 1062 weight 0.10000E+01 volume 0.52972E-03 ppm1 8.081 ppm2 6.572 CV 1 OR { 1062} (( segid " " and resid 152 and name HN )) ( segid " " and resid 157 and name HE% ) ASSI { 1079} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HG1 )) 3.000 0.800 1.000 peak 1079 weight 0.10000E+01 volume 0.26239E-02 ppm1 8.081 ppm2 2.181 CV 1 OR { 1079} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HB2 )) ASSI { 1130} (( segid " " and resid 181 and name HN )) (( segid " " and resid 179 and name HB1 )) 4.000 2.000 2.000 peak 1130 weight 0.10000E+01 volume 0.20644E-03 ppm1 7.641 ppm2 3.348 CV 1 OR { 1130} (( segid " " and resid 181 and name HN )) (( segid " " and resid 177 and name HB2 )) ASSI { 1125} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HG2 )) 2.800 1.000 1.200 peak 1125 weight 0.10000E+01 volume 0.15842E-02 ppm1 8.439 ppm2 2.442 CV 1 OR { 1125} (( segid " " and resid 135 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 1099} (( segid " " and resid 199 and name HN )) ( segid " " and resid 192 and name HG2%) 3.500 1.500 1.500 peak 1099 weight 0.10000E+01 volume 0.46982E-03 ppm1 9.594 ppm2 1.319 CV 1 OR { 1099} (( segid " " and resid 199 and name HN )) ( segid " " and resid 206 and name HE% ) ASSI { 1147} (( segid " " and resid 193 and name HN )) ( segid " " and resid 193 and name HG2%) 2.200 2.200 3.800 peak 1147 weight 0.10000E+01 volume 0.62379E-02 ppm1 7.850 ppm2 1.289 CV 1 OR { 1147} (( segid " " and resid 193 and name HN )) ( segid " " and resid 192 and name HG2%) ASSI { 1154} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HB )) 2.100 0.500 0.700 peak 1154 weight 0.10000E+01 volume 0.10099E-01 ppm1 7.850 ppm2 4.341 CV 1 OR { 1154} (( segid " " and resid 193 and name HN )) (( segid " " and resid 192 and name HB )) ASSI { 1153} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HA )) 2.300 0.600 0.800 peak 1153 weight 0.10000E+01 volume 0.58419E-02 ppm1 7.850 ppm2 4.202 CV 1 OR { 1153} (( segid " " and resid 193 and name HN )) (( segid " " and resid 190 and name HA )) ASSI { 1151} (( segid " " and resid 193 and name HN )) (( segid " " and resid 194 and name HB1 )) 3.800 1.800 1.800 peak 1151 weight 0.10000E+01 volume 0.25050E-03 ppm1 7.855 ppm2 1.995 CV 1 OR { 1151} (( segid " " and resid 193 and name HN )) (( segid " " and resid 196 and name HG2 )) ASSI { 1159} (( segid " " and resid 222 and name HN )) (( segid " " and resid 226 and name HB2 )) 3.500 3.500 2.500 peak 1159 weight 0.10000E+01 volume 0.41882E-03 ppm1 8.462 ppm2 2.973 CV 1 OR { 1159} (( segid " " and resid 222 and name HN )) (( segid " " and resid 220 and name HD2 )) OR { 1159} (( segid " " and resid 222 and name HN )) (( segid " " and resid 172 and name HB2 )) ASSI { 1204} (( segid " " and resid 155 and name HN )) (( segid " " and resid 153 and name HB1 )) 2.700 2.700 3.300 peak 1204 weight 0.10000E+01 volume 0.21139E-02 ppm1 8.026 ppm2 2.163 CV 1 OR { 1204} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HG2 )) OR { 1204} (( segid " " and resid 155 and name HN )) (( segid " " and resid 153 and name HB2 )) ASSI { 1219} (( segid " " and resid 190 and name HN )) (( segid " " and resid 186 and name HG1 )) 3.400 3.400 2.600 peak 1219 weight 0.10000E+01 volume 0.56438E-03 ppm1 8.146 ppm2 2.041 CV 1 OR { 1219} (( segid " " and resid 190 and name HN )) (( segid " " and resid 194 and name HB1 )) ASSI { 1916} (( segid " " and resid 190 and name HN )) (( segid " " and resid 193 and name HB )) 1.900 1.900 4.100 peak 1916 weight 0.10000E+01 volume 0.18664E-01 ppm1 8.148 ppm2 4.332 CV 1 OR { 1916} (( segid " " and resid 190 and name HN )) (( segid " " and resid 192 and name HB )) ASSI { 1260} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HG2 )) 2.200 0.600 0.800 peak 1260 weight 0.10000E+01 volume 0.70300E-02 ppm1 7.159 ppm2 2.144 CV 1 OR { 1260} (( segid " " and resid 212 and name HN )) (( segid " " and resid 212 and name HB2 )) ASSI { 1256} (( segid " " and resid 212 and name HN )) ( segid " " and resid 180 and name HG1%) 3.200 3.200 2.800 peak 1256 weight 0.10000E+01 volume 0.73270E-03 ppm1 7.157 ppm2 1.058 CV 1 OR { 1256} (( segid " " and resid 212 and name HN )) ( segid " " and resid 176 and name HG1%) OR { 1256} (( segid " " and resid 212 and name HN )) ( segid " " and resid 176 and name HG2%) ASSI { 1241} (( segid " " and resid 131 and name HN )) (( segid " " and resid 161 and name HB )) 3.900 1.900 1.900 peak 1241 weight 0.10000E+01 volume 0.24160E-03 ppm1 9.377 ppm2 2.615 CV 1 OR { 1241} (( segid " " and resid 131 and name HN )) (( segid " " and resid 163 and name HB1 )) OR { 1241} (( segid " " and resid 131 and name HN )) (( segid " " and resid 162 and name HB1 )) ASSI { 1245} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 3.300 1.400 1.600 peak 1245 weight 0.10000E+01 volume 0.58419E-03 ppm1 9.375 ppm2 0.942 CV 1 OR { 1245} (( segid " " and resid 131 and name HN )) ( segid " " and resid 161 and name HG1%) ASSI { 1257} (( segid " " and resid 212 and name HN )) ( segid " " and resid 210 and name HG1%) 3.200 1.300 1.500 peak 1257 weight 0.10000E+01 volume 0.71290E-03 ppm1 7.156 ppm2 1.257 CV 1 OR { 1257} (( segid " " and resid 212 and name HN )) ( segid " " and resid 209 and name HG2%) ASSI { 1269} (( segid " " and resid 153 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.400 3.400 2.600 peak 1269 weight 0.10000E+01 volume 0.48369E-03 ppm1 7.574 ppm2 3.249 CV 1 OR { 1269} (( segid " " and resid 153 and name HN )) (( segid " " and resid 156 and name HD1 )) ASSI { 1271} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HN )) 2.300 0.600 0.800 peak 1271 weight 0.10000E+01 volume 0.66339E-02 ppm1 7.577 ppm2 8.059 CV 1 OR { 1271} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HN )) ASSI { 1272} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HD22)) 2.900 1.100 1.300 peak 1272 weight 0.10000E+01 volume 0.14357E-02 ppm1 7.576 ppm2 6.563 CV 1 OR { 1272} (( segid " " and resid 153 and name HN )) ( segid " " and resid 157 and name HE% ) ASSI { 1292} (( segid " " and resid 191 and name HN )) (( segid " " and resid 188 and name HN )) 3.700 1.700 1.700 peak 1292 weight 0.10000E+01 volume 0.36932E-03 ppm1 8.019 ppm2 8.379 CV 1 OR { 1292} (( segid " " and resid 191 and name HN )) (( segid " " and resid 187 and name HN )) ASSI { 1307} (( segid " " and resid 191 and name HN )) (( segid " " and resid 194 and name HB1 )) 3.700 3.700 2.300 peak 1307 weight 0.10000E+01 volume 0.29853E-03 ppm1 8.019 ppm2 2.028 CV 1 OR { 1307} (( segid " " and resid 191 and name HN )) (( segid " " and resid 186 and name HG1 )) ASSI { 1319} (( segid " " and resid 188 and name HN )) ( segid " " and resid 189 and name HG2%) 3.600 1.600 1.600 peak 1319 weight 0.10000E+01 volume 0.36932E-03 ppm1 8.354 ppm2 0.950 CV 1 OR { 1319} (( segid " " and resid 188 and name HN )) ( segid " " and resid 203 and name HG1%) ASSI { 1339} (( segid " " and resid 160 and name HN )) (( segid " " and resid 158 and name HB1 )) 2.600 0.800 1.000 peak 1339 weight 0.10000E+01 volume 0.27031E-02 ppm1 7.305 ppm2 2.432 CV 1 OR { 1339} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 1317} (( segid " " and resid 188 and name HN )) (( segid " " and resid 186 and name HB2 )) 3.500 1.600 1.600 peak 1317 weight 0.10000E+01 volume 0.41388E-03 ppm1 8.357 ppm2 1.902 CV 1 OR { 1317} (( segid " " and resid 188 and name HN )) (( segid " " and resid 185 and name HB1 )) OR { 1317} (( segid " " and resid 188 and name HN )) (( segid " " and resid 185 and name HB2 )) ASSI { 1331} (( segid " " and resid 160 and name HN )) ( segid " " and resid 133 and name HB% ) 3.200 1.300 1.500 peak 1331 weight 0.10000E+01 volume 0.73765E-03 ppm1 7.302 ppm2 1.251 CV 1 OR { 1331} (( segid " " and resid 160 and name HN )) (( segid " " and resid 158 and name HG2 )) ASSI { 1895} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA2 )) 2.100 2.100 3.900 peak 1895 weight 0.10000E+01 volume 0.10248E-01 ppm1 8.379 ppm2 4.415 CV 1 OR { 1895} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) ASSI { 1364} (( segid " " and resid 132 and name HN )) (( segid " " and resid 160 and name HG1 )) 3.500 3.500 2.500 peak 1364 weight 0.10000E+01 volume 0.40249E-03 ppm1 8.379 ppm2 2.174 CV 1 OR { 1364} (( segid " " and resid 132 and name HN )) ( segid " " and resid 134 and name HE% ) ASSI { 1405} (( segid " " and resid 171 and name HD22)) (( segid " " and resid 173 and name HB1 )) 3.600 1.600 1.600 peak 1405 weight 0.10000E+01 volume 0.36140E-03 ppm1 6.719 ppm2 2.727 CV 1 OR { 1405} (( segid " " and resid 171 and name HD22)) (( segid " " and resid 175 and name HB2 )) ASSI { 1402} (( segid " " and resid 217 and name HE22)) (( segid " " and resid 216 and name HA )) 3.500 3.500 2.500 peak 1402 weight 0.10000E+01 volume 0.44556E-03 ppm1 6.887 ppm2 3.947 CV 1 OR { 1402} (( segid " " and resid 217 and name HE22)) (( segid " " and resid 132 and name HB2 )) OR { 1402} (( segid " " and resid 217 and name HE22)) (( segid " " and resid 132 and name HB1 )) ASSI { 1419} (( segid " " and resid 197 and name HD22)) (( segid " " and resid 197 and name HB2 )) 2.600 0.900 1.100 peak 1419 weight 0.10000E+01 volume 0.25347E-02 ppm1 7.545 ppm2 2.610 CV 1 ASSI { 1443} (( segid " " and resid 161 and name HN )) ( segid " " and resid 134 and name HE% ) 3.000 1.100 1.300 peak 1443 weight 0.10000E+01 volume 0.10891E-02 ppm1 8.506 ppm2 2.154 CV 1 OR { 1443} (( segid " " and resid 161 and name HN )) (( segid " " and resid 213 and name HB1 )) OR { 1443} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HG1 )) ASSI { 1423} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HE22)) 3.900 1.900 1.900 peak 1423 weight 0.10000E+01 volume 0.25050E-03 ppm1 8.502 ppm2 6.961 CV 1 OR { 1423} (( segid " " and resid 161 and name HN )) (( segid " " and resid 187 and name HD2 )) ASSI { 1445} (( segid " " and resid 161 and name HN )) (( segid " " and resid 134 and name HG2 )) 3.700 1.700 1.700 peak 1445 weight 0.10000E+01 volume 0.31536E-03 ppm1 8.505 ppm2 2.457 CV 1 OR { 1445} (( segid " " and resid 161 and name HN )) (( segid " " and resid 134 and name HG1 )) OR { 1445} (( segid " " and resid 161 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 1439} (( segid " " and resid 161 and name HN )) ( segid " " and resid 210 and name HG1%) 3.600 3.600 2.400 peak 1439 weight 0.10000E+01 volume 0.34358E-03 ppm1 8.508 ppm2 1.227 CV 1 OR { 1439} (( segid " " and resid 161 and name HN )) ( segid " " and resid 216 and name HG2%) ASSI { 1493} (( segid " " and resid 174 and name HD21)) (( segid " " and resid 171 and name HA )) 3.500 1.500 1.500 peak 1493 weight 0.10000E+01 volume 0.47329E-03 ppm1 7.681 ppm2 4.788 CV 1 OR { 1493} (( segid " " and resid 181 and name HD21)) (( segid " " and resid 179 and name HA )) ASSI { 1511} (( segid " " and resid 181 and name HD22)) (( segid " " and resid 182 and name HB )) 3.900 1.900 1.900 peak 1511 weight 0.10000E+01 volume 0.22228E-03 ppm1 6.777 ppm2 1.594 CV 1 OR { 1511} (( segid " " and resid 181 and name HD22)) (( segid " " and resid 185 and name HD1 )) ASSI { 1547} (( segid " " and resid 163 and name HN )) (( segid " " and resid 175 and name HZ )) 3.800 1.800 1.800 peak 1547 weight 0.10000E+01 volume 0.28120E-03 ppm1 8.592 ppm2 6.657 CV 1 OR { 1547} (( segid " " and resid 163 and name HN )) ( segid " " and resid 128 and name HE% ) ASSI { 1555} (( segid " " and resid 163 and name HN )) ( segid " " and resid 129 and name HE% ) 3.800 1.800 1.800 peak 1555 weight 0.10000E+01 volume 0.25199E-03 ppm1 8.603 ppm2 2.002 CV 1 OR { 1555} (( segid " " and resid 163 and name HN )) (( segid " " and resid 160 and name HB1 )) ASSI { 1593} (( segid " " and resid 186 and name HE22)) (( segid " " and resid 185 and name HG2 )) 3.600 1.600 1.600 peak 1593 weight 0.10000E+01 volume 0.38467E-03 ppm1 6.709 ppm2 1.481 CV 1 OR { 1593} (( segid " " and resid 186 and name HE22)) (( segid " " and resid 125 and name HG )) ASSI { 1605} (( segid " " and resid 186 and name HE22)) (( segid " " and resid 186 and name HG2 )) 3.000 1.100 1.300 peak 1605 weight 0.10000E+01 volume 0.10396E-02 ppm1 6.709 ppm2 1.650 CV 1 OR { 1605} (( segid " " and resid 186 and name HE22)) (( segid " " and resid 185 and name HD1 )) ASSI { 1612} (( segid " " and resid 229 and name HN )) (( segid " " and resid 226 and name HB1 )) 3.700 1.700 1.700 peak 1612 weight 0.10000E+01 volume 0.31536E-03 ppm1 8.249 ppm2 3.135 CV 1 OR { 1612} (( segid " " and resid 229 and name HN )) (( segid " " and resid 228 and name HD1 )) ASSI { 1626} (( segid " " and resid 159 and name HD22)) (( segid " " and resid 158 and name HA )) 3.700 1.700 1.700 peak 1626 weight 0.10000E+01 volume 0.32328E-03 ppm1 6.785 ppm2 4.395 CV 1 OR { 1626} (( segid " " and resid 159 and name HD22)) (( segid " " and resid 132 and name HA )) ASSI { 1679} (( segid " " and resid 195 and name HN )) ( segid " " and resid 193 and name HG2%) 3.100 1.200 1.400 peak 1679 weight 0.10000E+01 volume 0.83172E-03 ppm1 7.990 ppm2 1.299 CV 1 OR { 1679} (( segid " " and resid 195 and name HN )) ( segid " " and resid 192 and name HG2%) ASSI { 1687} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HA )) 2.400 2.400 3.600 peak 1687 weight 0.10000E+01 volume 0.47229E-02 ppm1 7.990 ppm2 4.375 CV 1 OR { 1687} (( segid " " and resid 195 and name HN )) (( segid " " and resid 192 and name HA )) ASSI { 22} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 150 and name HD% ) 2.800 1.000 1.200 peak 22 weight 0.10000E+01 volume 0.30028E-02 ppm1 6.892 ppm2 7.545 CV 1 OR { 22} ( segid " " and resid 157 and name HD% ) ( segid " " and resid 150 and name HD% ) ASSI { 27} ( segid " " and resid 150 and name HE% ) ( segid " " and resid 198 and name HE% ) 2.800 2.800 3.200 peak 27 weight 0.10000E+01 volume 0.29197E-02 ppm1 6.983 ppm2 7.464 CV 1 OR { 27} (( segid " " and resid 187 and name HD2 )) ( segid " " and resid 198 and name HE% ) ASSI { 33} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 141 and name HD% ) 2.800 2.800 3.200 peak 33 weight 0.10000E+01 volume 0.26794E-02 ppm1 6.978 ppm2 7.343 CV 1 OR { 33} ( segid " " and resid 150 and name HE% ) ( segid " " and resid 141 and name HD% ) ASSI { 35} ( segid " " and resid 157 and name HE% ) (( segid " " and resid 141 and name HZ )) 2.600 2.600 3.400 peak 35 weight 0.10000E+01 volume 0.43702E-02 ppm1 6.564 ppm2 6.674 CV 1 OR { 35} ( segid " " and resid 218 and name HE% ) ( segid " " and resid 225 and name HE% ) ASSI { 39} (( segid " " and resid 130 and name HA )) ( segid " " and resid 163 and name HE% ) 2.400 2.400 3.600 peak 39 weight 0.10000E+01 volume 0.39268E-02 ppm1 4.526 ppm2 6.470 CV 1 OR { 39} (( segid " " and resid 129 and name HA )) ( segid " " and resid 163 and name HE% ) ASSI { 42} (( segid " " and resid 222 and name HA )) ( segid " " and resid 225 and name HD% ) 2.800 1.000 1.200 peak 42 weight 0.10000E+01 volume 0.15707E-02 ppm1 3.924 ppm2 6.681 CV 1 OR { 42} (( segid " " and resid 127 and name HA1 )) ( segid " " and resid 128 and name HE% ) ASSI { 44} (( segid " " and resid 149 and name HA )) ( segid " " and resid 149 and name HE% ) 2.800 1.000 1.200 peak 44 weight 0.10000E+01 volume 0.16631E-02 ppm1 3.838 ppm2 6.868 CV 1 OR { 44} (( segid " " and resid 126 and name HA2 )) ( segid " " and resid 128 and name HD% ) OR { 44} (( segid " " and resid 201 and name HA )) ( segid " " and resid 149 and name HE% ) ASSI { 47} (( segid " " and resid 142 and name HA1 )) ( segid " " and resid 145 and name HE% ) 2.700 2.700 3.300 peak 47 weight 0.10000E+01 volume 0.21990E-02 ppm1 4.162 ppm2 6.762 CV 1 OR { 47} (( segid " " and resid 191 and name HB )) ( segid " " and resid 162 and name HE% ) OR { 47} (( segid " " and resid 191 and name HA )) ( segid " " and resid 162 and name HE% ) OR { 47} (( segid " " and resid 190 and name HA )) ( segid " " and resid 162 and name HE% ) ASSI { 49} (( segid " " and resid 226 and name HA )) ( segid " " and resid 225 and name HD% ) 2.900 1.000 1.200 peak 49 weight 0.10000E+01 volume 0.14876E-02 ppm1 4.394 ppm2 6.678 CV 1 OR { 49} (( segid " " and resid 125 and name HA )) ( segid " " and resid 128 and name HE% ) ASSI { 53} (( segid " " and resid 179 and name HA )) ( segid " " and resid 128 and name HE% ) 2.800 1.000 1.200 peak 53 weight 0.10000E+01 volume 0.15799E-02 ppm1 4.776 ppm2 6.672 CV 1 OR { 53} (( segid " " and resid 163 and name HA )) (( segid " " and resid 175 and name HZ )) ASSI { 54} (( segid " " and resid 163 and name HA )) ( segid " " and resid 128 and name HD% ) 2.700 0.900 1.100 peak 54 weight 0.10000E+01 volume 0.19588E-02 ppm1 4.784 ppm2 6.838 CV 1 OR { 54} (( segid " " and resid 179 and name HA )) ( segid " " and resid 128 and name HD% ) ASSI { 61} (( segid " " and resid 130 and name HA )) ( segid " " and resid 162 and name HD% ) 2.800 1.000 1.200 peak 61 weight 0.10000E+01 volume 0.18017E-02 ppm1 4.517 ppm2 6.919 CV 1 OR { 61} (( segid " " and resid 183 and name HB )) ( segid " " and resid 162 and name HD% ) OR { 61} (( segid " " and resid 129 and name HA )) ( segid " " and resid 162 and name HD% ) ASSI { 63} (( segid " " and resid 202 and name HA )) ( segid " " and resid 149 and name HE% ) 2.500 2.500 3.500 peak 63 weight 0.10000E+01 volume 0.30859E-02 ppm1 4.610 ppm2 6.870 CV 1 OR { 63} (( segid " " and resid 164 and name HA )) ( segid " " and resid 128 and name HD% ) ASSI { 64} (( segid " " and resid 130 and name HA )) ( segid " " and resid 162 and name HE% ) 3.000 3.000 3.000 peak 64 weight 0.10000E+01 volume 0.11549E-02 ppm1 4.519 ppm2 6.770 CV 1 OR { 64} (( segid " " and resid 183 and name HB )) ( segid " " and resid 162 and name HE% ) OR { 64} (( segid " " and resid 129 and name HA )) ( segid " " and resid 162 and name HE% ) ASSI { 68} (( segid " " and resid 141 and name HA )) ( segid " " and resid 141 and name HD% ) 2.400 0.700 0.900 peak 68 weight 0.10000E+01 volume 0.45088E-02 ppm1 4.353 ppm2 7.334 CV 1 OR { 68} (( segid " " and resid 192 and name HA )) ( segid " " and resid 198 and name HD% ) ASSI { 77} (( segid " " and resid 188 and name HA )) ( segid " " and resid 198 and name HD% ) 2.200 0.600 0.800 peak 77 weight 0.10000E+01 volume 0.72529E-02 ppm1 4.122 ppm2 7.349 CV 1 OR { 77} (( segid " " and resid 191 and name HB )) ( segid " " and resid 198 and name HD% ) ASSI { 84} (( segid " " and resid 151 and name HA )) ( segid " " and resid 150 and name HE% ) 3.000 1.100 1.300 peak 84 weight 0.10000E+01 volume 0.12011E-02 ppm1 3.946 ppm2 7.020 CV 1 OR { 84} (( segid " " and resid 137 and name HD2 )) ( segid " " and resid 150 and name HE% ) ASSI { 87} (( segid " " and resid 201 and name HB )) ( segid " " and resid 149 and name HE% ) 2.900 1.100 1.300 peak 87 weight 0.10000E+01 volume 0.12566E-02 ppm1 3.722 ppm2 6.867 CV 1 OR { 87} (( segid " " and resid 127 and name HA2 )) ( segid " " and resid 128 and name HD% ) ASSI { 112} ( segid " " and resid 161 and name HG2%) ( segid " " and resid 163 and name HD% ) 2.500 0.800 1.000 peak 112 weight 0.10000E+01 volume 0.32430E-02 ppm1 0.768 ppm2 7.020 CV 1 OR { 112} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 150 and name HE% ) OR { 112} (( segid " " and resid 139 and name HG12)) ( segid " " and resid 150 and name HE% ) ASSI { 113} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 150 and name HE% ) 2.600 0.800 1.000 peak 113 weight 0.10000E+01 volume 0.26055E-02 ppm1 0.907 ppm2 7.021 CV 1 OR { 113} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 163 and name HD% ) OR { 113} (( segid " " and resid 139 and name HG11)) ( segid " " and resid 150 and name HE% ) ASSI { 116} (( segid " " and resid 182 and name HG11)) ( segid " " and resid 162 and name HE% ) 2.600 2.600 3.400 peak 116 weight 0.10000E+01 volume 0.27164E-02 ppm1 0.890 ppm2 6.768 CV 1 OR { 116} (( segid " " and resid 182 and name HG12)) ( segid " " and resid 162 and name HE% ) OR { 116} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 162 and name HE% ) OR { 116} ( segid " " and resid 184 and name HG2%) ( segid " " and resid 162 and name HE% ) ASSI { 117} (( segid " " and resid 139 and name HB )) (( segid " " and resid 141 and name HZ )) 2.700 0.900 1.100 peak 117 weight 0.10000E+01 volume 0.20697E-02 ppm1 0.897 ppm2 6.672 CV 1 OR { 117} (( segid " " and resid 139 and name HG11)) (( segid " " and resid 141 and name HZ )) OR { 117} (( segid " " and resid 182 and name HG11)) ( segid " " and resid 128 and name HE% ) ASSI { 124} ( segid " " and resid 191 and name HG2%) ( segid " " and resid 198 and name HD% ) 2.500 2.500 3.500 peak 124 weight 0.10000E+01 volume 0.29935E-02 ppm1 0.980 ppm2 7.349 CV 1 OR { 124} ( segid " " and resid 203 and name HG1%) ( segid " " and resid 198 and name HD% ) ASSI { 138} (( segid " " and resid 176 and name HA )) ( segid " " and resid 175 and name HD% ) 2.700 0.900 1.100 peak 138 weight 0.10000E+01 volume 0.21343E-02 ppm1 3.531 ppm2 7.301 CV 1 OR { 138} (( segid " " and resid 214 and name HB1 )) ( segid " " and resid 175 and name HD% ) ASSI { 145} ( segid " " and resid 206 and name HE% ) ( segid " " and resid 157 and name HE% ) 2.700 2.700 3.300 peak 145 weight 0.10000E+01 volume 0.19957E-02 ppm1 1.332 ppm2 6.560 CV 1 OR { 145} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 157 and name HE% ) ASSI { 147} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 157 and name HD% ) 2.500 2.500 3.500 peak 147 weight 0.10000E+01 volume 0.30767E-02 ppm1 1.325 ppm2 6.874 CV 1 OR { 147} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 157 and name HD% ) OR { 147} ( segid " " and resid 206 and name HE% ) ( segid " " and resid 157 and name HD% ) ASSI { 151} ( segid " " and resid 188 and name HG2%) ( segid " " and resid 198 and name HD% ) 2.400 2.400 3.600 peak 151 weight 0.10000E+01 volume 0.40745E-02 ppm1 1.267 ppm2 7.349 CV 1 OR { 151} (( segid " " and resid 158 and name HG2 )) ( segid " " and resid 198 and name HD% ) ASSI { 152} ( segid " " and resid 192 and name HG2%) ( segid " " and resid 198 and name HD% ) 2.300 0.700 0.900 peak 152 weight 0.10000E+01 volume 0.55528E-02 ppm1 1.335 ppm2 7.350 CV 1 OR { 152} ( segid " " and resid 206 and name HE% ) ( segid " " and resid 198 and name HD% ) ASSI { 155} ( segid " " and resid 154 and name HE% ) ( segid " " and resid 150 and name HD% ) 3.000 1.100 1.300 peak 155 weight 0.10000E+01 volume 0.12011E-02 ppm1 2.040 ppm2 7.545 CV 1 OR { 155} (( segid " " and resid 151 and name HG1 )) ( segid " " and resid 150 and name HD% ) ASSI { 157} (( segid " " and resid 165 and name HB1 )) ( segid " " and resid 175 and name HE% ) 2.900 2.900 3.100 peak 157 weight 0.10000E+01 volume 0.13581E-02 ppm1 2.335 ppm2 7.681 CV 1 OR { 157} (( segid " " and resid 219 and name HG2 )) ( segid " " and resid 175 and name HE% ) ASSI { 158} (( segid " " and resid 218 and name HB2 )) ( segid " " and resid 175 and name HE% ) 3.000 1.100 1.300 peak 158 weight 0.10000E+01 volume 0.11919E-02 ppm1 2.738 ppm2 7.685 CV 1 OR { 158} (( segid " " and resid 175 and name HB2 )) ( segid " " and resid 175 and name HE% ) ASSI { 159} (( segid " " and resid 179 and name HB2 )) ( segid " " and resid 175 and name HE% ) 3.000 1.100 1.300 peak 159 weight 0.10000E+01 volume 0.11919E-02 ppm1 2.992 ppm2 7.687 CV 1 OR { 159} (( segid " " and resid 175 and name HA )) ( segid " " and resid 175 and name HE% ) ASSI { 165} (( segid " " and resid 175 and name HB2 )) ( segid " " and resid 175 and name HD% ) 2.900 1.100 1.300 peak 165 weight 0.10000E+01 volume 0.13305E-02 ppm1 2.746 ppm2 7.300 CV 1 OR { 165} (( segid " " and resid 218 and name HB2 )) ( segid " " and resid 175 and name HD% ) ASSI { 179} (( segid " " and resid 151 and name HD2 )) ( segid " " and resid 150 and name HE% ) 2.900 1.100 1.300 peak 179 weight 0.10000E+01 volume 0.12935E-02 ppm1 3.277 ppm2 7.024 CV 1 OR { 179} (( segid " " and resid 150 and name HB2 )) ( segid " " and resid 150 and name HE% ) ASSI { 181} (( segid " " and resid 151 and name HD1 )) ( segid " " and resid 150 and name HE% ) 2.800 1.000 1.200 peak 181 weight 0.10000E+01 volume 0.16908E-02 ppm1 3.363 ppm2 6.981 CV 1 OR { 181} (( segid " " and resid 187 and name HB1 )) (( segid " " and resid 187 and name HD2 )) ASSI { 182} (( segid " " and resid 146 and name HA )) ( segid " " and resid 149 and name HD% ) 2.800 1.000 1.200 peak 182 weight 0.10000E+01 volume 0.17278E-02 ppm1 3.580 ppm2 6.953 CV 1 OR { 182} (( segid " " and resid 150 and name HB1 )) ( segid " " and resid 149 and name HD% ) ASSI { 192} (( segid " " and resid 153 and name HB2 )) ( segid " " and resid 149 and name HD% ) 2.900 1.100 1.300 peak 192 weight 0.10000E+01 volume 0.12566E-02 ppm1 2.175 ppm2 6.952 CV 1 OR { 192} (( segid " " and resid 205 and name HG2 )) ( segid " " and resid 149 and name HD% ) OR { 192} (( segid " " and resid 153 and name HB1 )) ( segid " " and resid 149 and name HD% ) ASSI { 193} (( segid " " and resid 153 and name HB1 )) ( segid " " and resid 157 and name HD% ) 2.500 0.800 1.000 peak 193 weight 0.10000E+01 volume 0.29843E-02 ppm1 2.161 ppm2 6.873 CV 1 OR { 193} (( segid " " and resid 153 and name HB2 )) ( segid " " and resid 157 and name HD% ) OR { 193} (( segid " " and resid 205 and name HG2 )) ( segid " " and resid 141 and name HE% ) ASSI { 197} (( segid " " and resid 205 and name HB2 )) ( segid " " and resid 150 and name HE% ) 3.200 1.000 1.200 peak 197 weight 0.10000E+01 volume 0.13952E-02 ppm1 1.948 ppm2 7.020 CV 1 OR { 197} (( segid " " and resid 138 and name HB )) ( segid " " and resid 150 and name HE% ) OR { 197} (( segid " " and resid 220 and name HB1 )) ( segid " " and resid 163 and name HD% ) OR { 197} (( segid " " and resid 208 and name HB2 )) ( segid " " and resid 150 and name HE% ) ASSI { 200} (( segid " " and resid 221 and name HB2 )) ( segid " " and resid 163 and name HD% ) 3.200 1.200 1.400 peak 200 weight 0.10000E+01 volume 0.14044E-02 ppm1 1.744 ppm2 7.021 CV 1 OR { 200} (( segid " " and resid 136 and name HB1 )) ( segid " " and resid 150 and name HE% ) OR { 200} (( segid " " and resid 151 and name HG2 )) ( segid " " and resid 150 and name HE% ) ASSI { 221} (( segid " " and resid 157 and name HB2 )) ( segid " " and resid 157 and name HE% ) 2.700 0.900 1.100 peak 221 weight 0.10000E+01 volume 0.21805E-02 ppm1 3.129 ppm2 6.561 CV 1 OR { 221} (( segid " " and resid 218 and name HB1 )) ( segid " " and resid 218 and name HE% ) OR { 221} (( segid " " and resid 157 and name HB1 )) ( segid " " and resid 157 and name HE% ) OR { 221} (( segid " " and resid 175 and name HB1 )) ( segid " " and resid 218 and name HE% ) OR { 221} (( segid " " and resid 171 and name HB1 )) ( segid " " and resid 218 and name HE% ) ASSI { 226} (( segid " " and resid 225 and name HA )) ( segid " " and resid 225 and name HD% ) 2.400 0.700 0.900 peak 226 weight 0.10000E+01 volume 0.40006E-02 ppm1 4.183 ppm2 6.688 CV 1 OR { 226} (( segid " " and resid 205 and name HA )) (( segid " " and resid 141 and name HZ )) ASSI { 228} (( segid " " and resid 225 and name HB2 )) ( segid " " and resid 225 and name HD% ) 2.300 0.700 0.900 peak 228 weight 0.10000E+01 volume 0.52295E-02 ppm1 2.848 ppm2 6.682 CV 1 OR { 228} (( segid " " and resid 164 and name HD2 )) ( segid " " and resid 128 and name HE% ) ASSI { 230} (( segid " " and resid 145 and name HB2 )) ( segid " " and resid 145 and name HE% ) 2.800 2.800 3.200 peak 230 weight 0.10000E+01 volume 0.18386E-02 ppm1 2.872 ppm2 6.769 CV 1 OR { 230} (( segid " " and resid 149 and name HB1 )) ( segid " " and resid 145 and name HE% ) OR { 230} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 162 and name HE% ) ASSI { 237} (( segid " " and resid 149 and name HB2 )) ( segid " " and resid 145 and name HE% ) 2.800 1.000 1.200 peak 237 weight 0.10000E+01 volume 0.16076E-02 ppm1 2.599 ppm2 6.770 CV 1 OR { 237} (( segid " " and resid 162 and name HB1 )) ( segid " " and resid 162 and name HE% ) OR { 237} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 162 and name HE% ) ASSI { 264} ( segid " " and resid 210 and name HG2%) (( segid " " and resid 187 and name HD2 )) 3.000 1.100 1.300 peak 264 weight 0.10000E+01 volume 0.10810E-02 ppm1 0.965 ppm2 6.984 CV 1 OR { 264} ( segid " " and resid 161 and name HG1%) (( segid " " and resid 187 and name HD2 )) OR { 264} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 187 and name HD2 )) ASSI { 265} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 150 and name HD% ) 3.000 3.000 3.000 peak 265 weight 0.10000E+01 volume 0.11272E-02 ppm1 1.324 ppm2 7.547 CV 1 OR { 265} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 150 and name HD% ) ASSI { 273} (( segid " " and resid 184 and name HG12)) ( segid " " and resid 157 and name HE% ) 3.000 3.000 3.000 peak 273 weight 0.10000E+01 volume 0.10533E-02 ppm1 1.839 ppm2 6.565 CV 1 OR { 273} (( segid " " and resid 220 and name HB2 )) ( segid " " and resid 218 and name HE% ) OR { 273} (( segid " " and resid 208 and name HG1 )) ( segid " " and resid 157 and name HE% ) ASSI { 274} ( segid " " and resid 129 and name HE% ) ( segid " " and resid 163 and name HE% ) 2.900 2.900 3.100 peak 274 weight 0.10000E+01 volume 0.13581E-02 ppm1 1.997 ppm2 6.469 CV 1 OR { 274} (( segid " " and resid 160 and name HB1 )) ( segid " " and resid 163 and name HE% ) ASSI { 277} (( segid " " and resid 219 and name HG2 )) ( segid " " and resid 218 and name HE% ) 2.600 0.900 1.100 peak 277 weight 0.10000E+01 volume 0.23838E-02 ppm1 2.334 ppm2 6.562 CV 1 OR { 277} (( segid " " and resid 205 and name HB1 )) ( segid " " and resid 157 and name HE% ) ASSI { 279} (( segid " " and resid 160 and name HG1 )) ( segid " " and resid 162 and name HE% ) 2.800 2.800 3.200 peak 279 weight 0.10000E+01 volume 0.17093E-02 ppm1 2.138 ppm2 6.762 CV 1 OR { 279} (( segid " " and resid 205 and name HG2 )) ( segid " " and resid 145 and name HE% ) OR { 279} ( segid " " and resid 134 and name HE% ) ( segid " " and resid 162 and name HE% ) OR { 279} (( segid " " and resid 213 and name HB1 )) ( segid " " and resid 162 and name HE% ) OR { 279} (( segid " " and resid 213 and name HB2 )) ( segid " " and resid 162 and name HE% ) OR { 279} (( segid " " and resid 153 and name HB2 )) ( segid " " and resid 145 and name HE% ) ASSI { 283} (( segid " " and resid 228 and name HB1 )) ( segid " " and resid 225 and name HD% ) 3.000 1.100 1.300 peak 283 weight 0.10000E+01 volume 0.11457E-02 ppm1 1.861 ppm2 6.688 CV 1 OR { 283} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 175 and name HZ )) OR { 283} (( segid " " and resid 228 and name HB1 )) ( segid " " and resid 225 and name HE% ) ASSI { 285} (( segid " " and resid 182 and name HB )) ( segid " " and resid 128 and name HE% ) 2.500 0.800 1.000 peak 285 weight 0.10000E+01 volume 0.36218E-02 ppm1 1.611 ppm2 6.679 CV 1 OR { 285} ( segid " " and resid 166 and name HE% ) ( segid " " and resid 225 and name HD% ) ASSI { 286} ( segid " " and resid 183 and name HG2%) ( segid " " and resid 162 and name HE% ) 2.700 0.900 1.100 peak 286 weight 0.10000E+01 volume 0.22914E-02 ppm1 1.488 ppm2 6.768 CV 1 OR { 286} (( segid " " and resid 125 and name HG )) ( segid " " and resid 162 and name HE% ) ASSI { 287} (( segid " " and resid 125 and name HB2 )) ( segid " " and resid 162 and name HE% ) 2.700 2.700 3.300 peak 287 weight 0.10000E+01 volume 0.19310E-02 ppm1 1.609 ppm2 6.769 CV 1 OR { 287} (( segid " " and resid 130 and name HB1 )) ( segid " " and resid 162 and name HE% ) ASSI { 291} ( segid " " and resid 183 and name HG2%) ( segid " " and resid 162 and name HD% ) 2.400 0.700 0.900 peak 291 weight 0.10000E+01 volume 0.38066E-02 ppm1 1.484 ppm2 6.918 CV 1 OR { 291} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 141 and name HE% ) ASSI { 295} ( segid " " and resid 206 and name HE% ) ( segid " " and resid 198 and name HE% ) 3.000 1.200 1.400 peak 295 weight 0.10000E+01 volume 0.10348E-02 ppm1 1.339 ppm2 7.464 CV 1 OR { 295} ( segid " " and resid 192 and name HG2%) ( segid " " and resid 198 and name HE% ) ASSI { 301} (( segid " " and resid 202 and name HB1 )) ( segid " " and resid 157 and name HE% ) 2.500 0.800 1.000 peak 301 weight 0.10000E+01 volume 0.30767E-02 ppm1 3.435 ppm2 6.559 CV 1 OR { 301} (( segid " " and resid 222 and name HB2 )) ( segid " " and resid 218 and name HE% ) ASSI { 309} (( segid " " and resid 205 and name HG1 )) ( segid " " and resid 149 and name HE% ) 2.400 2.400 3.600 peak 309 weight 0.10000E+01 volume 0.47768E-02 ppm1 2.958 ppm2 6.878 CV 1 OR { 309} (( segid " " and resid 226 and name HB2 )) ( segid " " and resid 226 and name HE% ) OR { 309} (( segid " " and resid 179 and name HB2 )) ( segid " " and resid 128 and name HD% ) OR { 309} (( segid " " and resid 205 and name HG1 )) ( segid " " and resid 141 and name HE% ) OR { 309} (( segid " " and resid 204 and name HE1 )) ( segid " " and resid 141 and name HE% ) OR { 309} (( segid " " and resid 178 and name HB2 )) ( segid " " and resid 128 and name HD% ) ASSI { 318} (( segid " " and resid 150 and name HB1 )) ( segid " " and resid 150 and name HE% ) 3.000 1.100 1.300 peak 318 weight 0.10000E+01 volume 0.11457E-02 ppm1 3.578 ppm2 7.018 CV 1 OR { 318} (( segid " " and resid 206 and name HA )) ( segid " " and resid 150 and name HE% ) OR { 318} (( segid " " and resid 165 and name HD1 )) ( segid " " and resid 163 and name HD% ) ASSI { 321} (( segid " " and resid 127 and name HA1 )) ( segid " " and resid 128 and name HD% ) 3.000 1.200 1.400 peak 321 weight 0.10000E+01 volume 0.10164E-02 ppm1 3.921 ppm2 6.858 CV 1 OR { 321} (( segid " " and resid 222 and name HA )) ( segid " " and resid 226 and name HE% ) ASSI { 329} ( segid " " and resid 130 and name HD1%) (( segid " " and resid 132 and name HA )) 2.600 2.600 3.400 peak 329 weight 0.10000E+01 volume 0.14968E-02 ppm1 0.601 ppm2 4.402 CV 1 OR { 329} ( segid " " and resid 130 and name HD1%) (( segid " " and resid 131 and name HA2 ))
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